NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23196 | 2ju4 | 15430 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 54.486 27.236 5.618 2 HB2 MET 1 HB2 MET 1 52.688 25.250 5.805 3 HB3 MET 1 HB1 MET 1 52.246 26.933 6.091 4 HG2 MET 1 HG2 MET 1 52.103 25.737 3.325 5 HG3 MET 1 HG1 MET 1 50.767 25.566 4.463 6 HE1 MET 1 HE1 MET 1 49.987 27.509 5.901 7 HE2 MET 1 HE2 MET 1 48.854 27.320 4.565 8 HE3 MET 1 HE3 MET 1 49.353 28.933 5.068 9 H ASN 2 HN ASN 2 56.395 26.151 5.447 10 HA ASN 2 HA ASN 2 57.965 24.547 4.708 11 HB2 ASN 2 HB2 ASN 2 57.218 22.234 5.242 12 HB3 ASN 2 HB1 ASN 2 56.833 23.374 6.531 13 HD21 ASN 2 HD21 ASN 2 55.438 21.331 4.015 14 HD22 ASN 2 HD22 ASN 2 53.819 21.553 4.477 15 H LEU 3 HN LEU 3 57.540 22.045 3.454 16 HA LEU 3 HA LEU 3 57.097 22.959 0.701 17 HG LEU 3 HG LEU 3 59.288 22.212 -0.076 18 HB2 LEU 3 HB2 LEU 3 57.997 20.363 1.953 19 HB3 LEU 3 HB1 LEU 3 57.623 20.467 0.232 20 HD11 LEU 3 HD11 LEU 3 60.773 22.731 1.973 21 HD12 LEU 3 HD12 LEU 3 59.454 22.063 2.935 22 HD13 LEU 3 HD13 LEU 3 59.177 23.480 1.922 23 HD21 LEU 3 HD21 LEU 3 60.431 19.978 1.632 24 HD22 LEU 3 HD22 LEU 3 61.313 20.939 0.445 25 HD23 LEU 3 HD23 LEU 3 60.044 19.833 -0.082 26 H GLU 4 HN GLU 4 55.657 21.642 -0.763 27 HA GLU 4 HA GLU 4 52.991 21.538 0.281 28 HB2 GLU 4 HB2 GLU 4 54.261 20.541 -2.273 29 HB3 GLU 4 HB1 GLU 4 52.548 20.292 -1.937 30 HG2 GLU 4 HG2 GLU 4 52.161 22.668 -1.768 31 HG3 GLU 4 HG1 GLU 4 53.891 23.006 -1.850 32 HA PRO 5 HA PRO 5 52.463 17.656 2.308 33 HB2 PRO 5 HB2 PRO 5 50.518 17.054 0.101 34 HB3 PRO 5 HB1 PRO 5 50.331 16.840 1.853 35 HG2 PRO 5 HG2 PRO 5 49.256 18.919 0.543 36 HG3 PRO 5 HG1 PRO 5 49.846 19.048 2.207 37 HD2 PRO 5 HD2 PRO 5 50.972 20.220 -0.253 38 HD3 PRO 5 HD1 PRO 5 51.276 20.658 1.442 39 HA PRO 6 HA PRO 6 55.106 15.219 -0.471 40 HB2 PRO 6 HB2 PRO 6 56.196 13.597 1.410 41 HB3 PRO 6 HB1 PRO 6 56.691 15.290 1.219 42 HG2 PRO 6 HG2 PRO 6 54.876 14.074 3.236 43 HG3 PRO 6 HG1 PRO 6 56.074 15.364 3.425 44 HD2 PRO 6 HD2 PRO 6 53.344 15.794 3.166 45 HD3 PRO 6 HD1 PRO 6 54.591 17.003 2.790 46 H LYS 7 HN LYS 7 55.164 12.957 -1.185 47 HA LYS 7 HA LYS 7 52.571 11.643 -0.908 48 HB2 LYS 7 HB2 LYS 7 55.050 10.549 -2.260 49 HB3 LYS 7 HB1 LYS 7 53.371 10.112 -2.576 50 HG2 LYS 7 HG2 LYS 7 52.925 12.412 -3.369 51 HG3 LYS 7 HG1 LYS 7 54.613 12.834 -3.075 52 HD2 LYS 7 HD2 LYS 7 55.224 10.905 -4.635 53 HD3 LYS 7 HD1 LYS 7 53.519 10.858 -5.087 54 HE2 LYS 7 HE2 LYS 7 53.620 13.201 -5.803 55 HE3 LYS 7 HE1 LYS 7 55.306 13.300 -5.297 56 HZ1 LYS 7 HZ1 LYS 7 55.959 12.374 -7.186 57 HZ2 LYS 7 HZ2 LYS 7 54.366 12.517 -7.757 58 HZ3 LYS 7 HZ3 LYS 7 54.878 11.078 -7.014 59 H ALA 8 HN ALA 8 53.115 11.508 1.572 60 HA ALA 8 HA ALA 8 54.922 9.314 2.304 61 HB1 ALA 8 HB1 ALA 8 54.077 9.753 4.609 62 HB2 ALA 8 HB2 ALA 8 52.947 10.932 3.944 63 HB3 ALA 8 HB3 ALA 8 54.684 11.212 3.828 64 H GLU 9 HN GLU 9 53.581 7.860 0.766 65 HA GLU 9 HA GLU 9 51.885 6.169 2.409 66 HB2 GLU 9 HB2 GLU 9 50.406 8.139 1.542 67 HB3 GLU 9 HB1 GLU 9 50.506 7.317 -0.015 68 HG2 GLU 9 HG2 GLU 9 49.556 6.040 2.568 69 HG3 GLU 9 HG1 GLU 9 48.504 6.608 1.272 70 H1U RCY 10 H1U RCY 10 58.899 1.307 -3.770 71 H1S RCY 10 H1S RCY 10 56.000 4.608 -4.473 72 HB1 RCY 10 HB1 RCY 10 54.498 3.799 -2.175 73 HB2 RCY 10 HB2 RCY 10 54.588 4.965 -0.855 74 HA RCY 10 HA RCY 10 52.440 5.371 -2.887 75 HN1 RCY 10 HN1 RCY 10 51.955 6.827 -1.108 76 H ARG 11 HN ARG 11 50.624 4.047 -3.025 77 HA ARG 11 HA ARG 11 50.224 1.831 -1.161 78 HE ARG 11 HE ARG 11 46.980 -1.193 -0.535 79 HB2 ARG 11 HB2 ARG 11 48.527 3.281 -2.729 80 HB3 ARG 11 HB1 ARG 11 48.740 1.852 -3.738 81 HG2 ARG 11 HG2 ARG 11 47.954 1.797 -0.808 82 HG3 ARG 11 HG1 ARG 11 46.831 1.608 -2.155 83 HD2 ARG 11 HD2 ARG 11 48.425 -0.303 -2.919 84 HD3 ARG 11 HD1 ARG 11 49.028 -0.249 -1.262 85 HH11 ARG 11 HH21 ARG 11 46.837 -0.041 -3.782 86 HH12 ARG 11 HH22 ARG 11 45.287 -0.743 -4.103 87 HH21 ARG 11 HH11 ARG 11 44.956 -2.116 -0.936 88 HH22 ARG 11 HH12 ARG 11 44.222 -1.918 -2.492 89 H SER 12 HN SER 12 51.992 2.329 -4.052 90 HA SER 12 HA SER 12 51.908 -0.093 -5.414 91 HG SER 12 HG SER 12 53.646 1.669 -7.262 92 HB2 SER 12 HB2 SER 12 54.317 1.610 -4.730 93 HB3 SER 12 HB1 SER 12 54.365 0.274 -5.876 94 H ALA 13 HN ALA 13 53.709 0.617 -2.421 95 HA ALA 13 HA ALA 13 55.066 -1.836 -2.138 96 HB1 ALA 13 HB1 ALA 13 53.845 -0.024 -0.039 97 HB2 ALA 13 HB2 ALA 13 55.518 -0.036 -0.596 98 HB3 ALA 13 HB3 ALA 13 54.893 -1.389 0.346 99 H THR 14 HN THR 14 54.403 -3.477 -0.297 100 HA THR 14 HA THR 14 51.520 -3.979 -0.104 101 HB THR 14 HB THR 14 53.297 -5.946 -1.580 102 HG1 THR 14 HG1 THR 14 52.818 -4.558 -3.109 103 HG21 THR 14 HG21 THR 14 51.139 -7.129 -1.961 104 HG22 THR 14 HG22 THR 14 50.342 -5.961 -0.907 105 HG23 THR 14 HG23 THR 14 51.569 -7.046 -0.252 106 H ARG 15 HN ARG 15 54.108 -6.397 -0.054 107 HA ARG 15 HA ARG 15 53.666 -6.667 2.894 108 HE ARG 15 HE ARG 15 56.220 -11.068 -1.075 109 HB2 ARG 15 HB2 ARG 15 54.587 -8.983 2.560 110 HB3 ARG 15 HB1 ARG 15 53.079 -8.691 1.691 111 HG2 ARG 15 HG2 ARG 15 54.382 -8.182 -0.361 112 HG3 ARG 15 HG1 ARG 15 55.870 -8.550 0.513 113 HD2 ARG 15 HD2 ARG 15 55.022 -10.844 0.949 114 HD3 ARG 15 HD1 ARG 15 53.578 -10.471 0.006 115 HH11 ARG 15 HH21 ARG 15 53.212 -9.438 -1.503 116 HH12 ARG 15 HH22 ARG 15 53.311 -9.429 -3.232 117 HH21 ARG 15 HH11 ARG 15 56.367 -11.065 -3.331 118 HH22 ARG 15 HH12 ARG 15 55.097 -10.350 -4.267 119 H VAL 16 HN VAL 16 55.791 -5.322 0.770 120 HA VAL 16 HA VAL 16 58.279 -6.221 2.051 121 HB VAL 16 HB VAL 16 57.979 -3.845 0.208 122 HG11 VAL 16 HG11 VAL 16 60.263 -4.336 -0.359 123 HG12 VAL 16 HG12 VAL 16 60.201 -5.885 0.481 124 HG13 VAL 16 HG13 VAL 16 60.158 -4.380 1.401 125 HG21 VAL 16 HG21 VAL 16 58.021 -6.799 -0.460 126 HG22 VAL 16 HG22 VAL 16 58.453 -5.552 -1.630 127 HG23 VAL 16 HG23 VAL 16 56.826 -5.599 -0.952 128 H MET 17 HN MET 17 56.615 -5.231 4.009 129 HA MET 17 HA MET 17 58.225 -3.141 5.168 130 HB2 MET 17 HB2 MET 17 56.792 -1.889 3.449 131 HB3 MET 17 HB1 MET 17 55.409 -2.285 4.471 132 HG2 MET 17 HG2 MET 17 56.125 -0.137 5.206 133 HG3 MET 17 HG1 MET 17 56.749 -1.266 6.409 134 HE1 MET 17 HE1 MET 17 57.927 0.997 6.910 135 HE2 MET 17 HE2 MET 17 57.849 1.897 5.397 136 HE3 MET 17 HE3 MET 17 59.414 1.548 6.128 137 H GLY 18 HN GLY 18 57.746 -2.907 7.390 138 HA2 GLY 18 HA2 GLY 18 56.472 -3.238 9.388 139 HA3 GLY 18 HA1 GLY 18 55.299 -4.172 8.458 140 H GLY 19 HN GLY 19 55.638 -5.612 10.459 141 HA2 GLY 19 HA2 GLY 19 56.294 -7.835 10.991 142 HA3 GLY 19 HA1 GLY 19 57.495 -7.761 9.701 143 HA PRO 20 HA PRO 20 59.227 -7.396 14.236 144 HB2 PRO 20 HB2 PRO 20 60.975 -9.400 12.844 145 HB3 PRO 20 HB1 PRO 20 60.465 -9.340 14.543 146 HG2 PRO 20 HG2 PRO 20 59.329 -11.001 12.782 147 HG3 PRO 20 HG1 PRO 20 58.412 -10.255 14.100 148 HD2 PRO 20 HD2 PRO 20 58.282 -9.703 11.195 149 HD3 PRO 20 HD1 PRO 20 57.078 -9.373 12.460 150 H1U RCY 21 H1U RCY 21 63.190 -3.517 5.516 151 H1S RCY 21 H1S RCY 21 61.261 -3.162 9.328 152 HB1 RCY 21 HB1 RCY 21 60.622 -3.050 12.193 153 HB2 RCY 21 HB2 RCY 21 60.842 -4.326 10.996 154 HA RCY 21 HA RCY 21 62.701 -5.234 12.470 155 HN1 RCY 21 HN1 RCY 21 60.067 -5.306 13.866 156 H THR 22 HN THR 22 64.205 -4.378 13.806 157 HA THR 22 HA THR 22 63.401 -2.272 15.745 158 HB THR 22 HB THR 22 64.765 -3.477 17.509 159 HG1 THR 22 HG1 THR 22 65.884 -4.990 16.489 160 HG21 THR 22 HG21 THR 22 62.944 -4.998 18.113 161 HG22 THR 22 HG22 THR 22 62.324 -4.940 16.463 162 HG23 THR 22 HG23 THR 22 62.283 -3.494 17.473 163 HA PRO 23 HA PRO 23 67.156 -0.943 13.439 164 HB2 PRO 23 HB2 PRO 23 66.567 1.441 15.151 165 HB3 PRO 23 HB1 PRO 23 66.961 1.364 13.422 166 HG2 PRO 23 HG2 PRO 23 64.472 1.789 14.261 167 HG3 PRO 23 HG1 PRO 23 64.809 0.808 12.824 168 HD2 PRO 23 HD2 PRO 23 63.938 -0.074 15.542 169 HD3 PRO 23 HD1 PRO 23 63.610 -0.809 13.957 170 H ARG 24 HN ARG 24 69.249 0.130 14.329 171 HA ARG 24 HA ARG 24 69.727 -0.511 17.194 172 HE ARG 24 HE ARG 24 72.830 -3.846 14.872 173 HB2 ARG 24 HB2 ARG 24 71.428 -1.544 14.902 174 HB3 ARG 24 HB1 ARG 24 71.803 -1.724 16.616 175 HG2 ARG 24 HG2 ARG 24 69.510 -2.859 16.835 176 HG3 ARG 24 HG1 ARG 24 69.511 -2.947 15.074 177 HD2 ARG 24 HD2 ARG 24 71.634 -4.102 16.906 178 HD3 ARG 24 HD1 ARG 24 70.410 -5.025 16.035 179 HH11 ARG 24 HH21 ARG 24 69.635 -5.058 14.411 180 HH12 ARG 24 HH22 ARG 24 69.879 -5.442 12.740 181 HH21 ARG 24 HH11 ARG 24 73.167 -4.340 12.693 182 HH22 ARG 24 HH12 ARG 24 71.878 -5.035 11.767 183 H LYS 25 HN LYS 25 70.447 1.415 17.968 184 HA LYS 25 HA LYS 25 71.605 3.457 18.081 185 HB2 LYS 25 HB2 LYS 25 73.604 2.026 16.306 186 HB3 LYS 25 HB1 LYS 25 73.925 3.374 17.396 187 HG2 LYS 25 HG2 LYS 25 72.806 0.751 18.395 188 HG3 LYS 25 HG1 LYS 25 74.542 1.031 18.256 189 HD2 LYS 25 HD2 LYS 25 74.197 3.133 19.646 190 HD3 LYS 25 HD1 LYS 25 72.558 2.558 19.956 191 HE2 LYS 25 HE2 LYS 25 73.399 0.535 20.992 192 HE3 LYS 25 HE1 LYS 25 75.055 0.943 20.541 193 HZ1 LYS 25 HZ1 LYS 25 74.789 1.574 22.781 194 HZ2 LYS 25 HZ2 LYS 25 73.303 2.341 22.479 195 HZ3 LYS 25 HZ3 LYS 25 74.746 3.016 21.889 196 H GLY 26 HN GLY 26 69.764 2.867 15.739 197 HA2 GLY 26 HA2 GLY 26 69.092 3.967 13.779 198 HA3 GLY 26 HA1 GLY 26 70.062 5.325 14.351 199 HA PRO 27 HA PRO 27 71.693 3.123 10.341 200 HB2 PRO 27 HB2 PRO 27 71.708 6.045 9.667 201 HB3 PRO 27 HB1 PRO 27 71.359 4.652 8.624 202 HG2 PRO 27 HG2 PRO 27 69.417 6.203 9.605 203 HG3 PRO 27 HG1 PRO 27 69.202 4.461 9.371 204 HD2 PRO 27 HD2 PRO 27 69.486 5.985 11.899 205 HD3 PRO 27 HD1 PRO 27 68.735 4.400 11.616 206 HA PRO 28 HA PRO 28 75.971 3.633 11.367 207 HB2 PRO 28 HB2 PRO 28 76.329 4.670 8.574 208 HB3 PRO 28 HB1 PRO 28 77.257 3.430 9.441 209 HG2 PRO 28 HG2 PRO 28 75.415 2.799 7.606 210 HG3 PRO 28 HG1 PRO 28 75.708 1.793 9.033 211 HD2 PRO 28 HD2 PRO 28 73.378 3.511 8.409 212 HD3 PRO 28 HD1 PRO 28 73.496 2.135 9.526 213 H LYS 29 HN LYS 29 77.612 5.326 11.710 214 HA LYS 29 HA LYS 29 76.382 8.018 11.879 215 HB2 LYS 29 HB2 LYS 29 78.976 6.901 12.989 216 HB3 LYS 29 HB1 LYS 29 78.406 8.550 13.249 217 HG2 LYS 29 HG2 LYS 29 76.520 7.820 14.493 218 HG3 LYS 29 HG1 LYS 29 76.701 6.154 13.941 219 HD2 LYS 29 HD2 LYS 29 78.973 7.401 15.437 220 HD3 LYS 29 HD1 LYS 29 77.553 6.890 16.350 221 HE2 LYS 29 HE2 LYS 29 77.787 4.633 15.669 222 HE3 LYS 29 HE1 LYS 29 78.889 5.056 14.359 223 HZ1 LYS 29 HZ1 LYS 29 80.633 5.096 15.734 224 HZ2 LYS 29 HZ2 LYS 29 79.653 4.194 16.788 225 HZ3 LYS 29 HZ3 LYS 29 79.781 5.878 16.975 226 H1U RCY 30 H1U RCY 30 76.408 8.075 0.830 227 H1S RCY 30 H1S RCY 30 76.228 9.171 4.974 228 HB1 RCY 30 HB1 RCY 30 76.666 10.345 7.527 229 HB2 RCY 30 HB2 RCY 30 76.653 8.604 7.248 230 HA RCY 30 HA RCY 30 79.035 8.618 8.249 231 HN1 RCY 30 HN1 RCY 30 76.506 8.753 9.717 232 H LYS 31 HN LYS 31 78.012 11.545 7.387 233 HA LYS 31 HA LYS 31 78.875 13.694 7.743 234 HB2 LYS 31 HB2 LYS 31 77.976 12.658 10.356 235 HB3 LYS 31 HB1 LYS 31 79.158 13.957 10.481 236 HG2 LYS 31 HG2 LYS 31 76.805 14.205 8.615 237 HG3 LYS 31 HG1 LYS 31 76.641 14.600 10.326 238 HD2 LYS 31 HD2 LYS 31 78.765 15.784 8.518 239 HD3 LYS 31 HD1 LYS 31 77.233 16.576 8.885 240 HE2 LYS 31 HE2 LYS 31 78.388 17.486 10.625 241 HE3 LYS 31 HE1 LYS 31 78.095 15.926 11.395 242 HZ1 LYS 31 HZ1 LYS 31 80.547 17.061 10.498 243 HZ2 LYS 31 HZ2 LYS 31 80.288 15.534 9.799 244 HZ3 LYS 31 HZ3 LYS 31 80.287 15.709 11.489 245 H GLN 32 HN GLN 32 80.702 11.154 7.838 246 HA GLN 32 HA GLN 32 83.176 12.605 8.083 247 HB2 GLN 32 HB2 GLN 32 82.406 12.209 10.530 248 HB3 GLN 32 HB1 GLN 32 82.824 10.521 10.237 249 HG2 GLN 32 HG2 GLN 32 85.109 11.170 9.620 250 HG3 GLN 32 HG1 GLN 32 84.702 12.871 9.851 251 HE21 GLN 32 HE21 GLN 32 84.872 13.702 11.965 252 HE22 GLN 32 HE22 GLN 32 85.168 12.753 13.341 253 H ARG 33 HN ARG 33 82.028 10.937 6.117 254 HA ARG 33 HA ARG 33 82.738 8.231 6.111 255 HE ARG 33 HE ARG 33 81.279 7.522 5.452 256 HB2 ARG 33 HB2 ARG 33 81.540 9.496 4.268 257 HB3 ARG 33 HB1 ARG 33 83.117 10.088 3.747 258 HG2 ARG 33 HG2 ARG 33 83.228 8.204 2.491 259 HG3 ARG 33 HG1 ARG 33 83.547 7.366 4.010 260 HD2 ARG 33 HD2 ARG 33 80.880 7.727 2.627 261 HD3 ARG 33 HD1 ARG 33 81.714 6.214 2.981 262 HH11 ARG 33 HH21 ARG 33 79.529 6.153 2.815 263 HH12 ARG 33 HH22 ARG 33 78.170 5.690 3.784 264 HH21 ARG 33 HH11 ARG 33 79.514 6.925 6.733 265 HH22 ARG 33 HH12 ARG 33 78.162 6.127 6.002 266 H GLN 34 HN GLN 34 84.678 7.346 6.617 267 HA GLN 34 HA GLN 34 87.105 8.278 5.273 268 HB2 GLN 34 HB2 GLN 34 86.859 9.772 7.307 269 HB3 GLN 34 HB1 GLN 34 87.036 8.326 8.300 270 HG2 GLN 34 HG2 GLN 34 89.238 9.139 8.164 271 HG3 GLN 34 HG1 GLN 34 89.194 7.907 6.902 272 HE21 GLN 34 HE21 GLN 34 89.946 11.176 7.491 273 HE22 GLN 34 HE22 GLN 34 89.976 11.710 5.881 274 H THR 35 HN THR 35 86.900 6.600 8.382 275 HA THR 35 HA THR 35 87.132 3.965 7.099 276 HB THR 35 HB THR 35 89.289 3.489 8.361 277 HG1 THR 35 HG1 THR 35 89.496 6.307 8.393 278 HG21 THR 35 HG21 THR 35 89.575 5.684 6.302 279 HG22 THR 35 HG22 THR 35 89.083 4.044 5.878 280 HG23 THR 35 HG23 THR 35 90.666 4.330 6.602 281 H ARG 36 HN ARG 36 85.233 5.192 8.901 282 HA ARG 36 HA ARG 36 85.791 3.946 11.531 283 HE ARG 36 HE ARG 36 83.556 8.979 10.910 284 HB2 ARG 36 HB2 ARG 36 83.402 5.559 10.582 285 HB3 ARG 36 HB1 ARG 36 83.700 5.039 12.239 286 HG2 ARG 36 HG2 ARG 36 84.667 7.111 12.407 287 HG3 ARG 36 HG1 ARG 36 86.056 6.267 11.722 288 HD2 ARG 36 HD2 ARG 36 85.801 8.178 10.345 289 HD3 ARG 36 HD1 ARG 36 85.056 6.873 9.421 290 HH11 ARG 36 HH21 ARG 36 83.783 6.359 8.681 291 HH12 ARG 36 HH22 ARG 36 82.188 6.587 8.045 292 HH21 ARG 36 HH11 ARG 36 81.472 9.292 10.093 293 HH22 ARG 36 HH12 ARG 36 80.880 8.248 8.844 294 H GLN 37 HN GLN 37 84.319 3.146 8.579 295 HA GLN 37 HA GLN 37 82.926 0.844 9.887 296 HB2 GLN 37 HB2 GLN 37 81.215 2.463 9.204 297 HB3 GLN 37 HB1 GLN 37 81.895 2.521 7.578 298 HG2 GLN 37 HG2 GLN 37 81.293 0.251 7.140 299 HG3 GLN 37 HG1 GLN 37 80.921 -0.049 8.839 300 HE21 GLN 37 HE21 GLN 37 78.670 -0.512 8.634 301 HE22 GLN 37 HE22 GLN 37 77.541 0.613 8.049 302 H1U RCY 38 H1U RCY 38 85.066 5.237 -0.705 303 H1S RCY 38 H1S RCY 38 83.120 1.470 1.670 304 HB1 RCY 38 HB1 RCY 38 86.281 1.433 4.487 305 HB2 RCY 38 HB2 RCY 38 84.738 2.238 4.768 306 HA RCY 38 HA RCY 38 84.350 -0.450 5.547 307 HN1 RCY 38 HN1 RCY 38 84.182 2.145 6.802 308 H LYS 39 HN LYS 39 85.600 -1.979 6.556 309 HA LYS 39 HA LYS 39 88.489 -1.437 6.787 310 HB2 LYS 39 HB2 LYS 39 88.578 -2.243 9.135 311 HB3 LYS 39 HB1 LYS 39 87.654 -0.747 8.990 312 HG2 LYS 39 HG2 LYS 39 85.556 -2.101 8.893 313 HG3 LYS 39 HG1 LYS 39 86.518 -3.552 9.175 314 HD2 LYS 39 HD2 LYS 39 86.821 -1.244 11.060 315 HD3 LYS 39 HD1 LYS 39 85.397 -2.274 11.206 316 HE2 LYS 39 HE2 LYS 39 86.753 -4.237 11.525 317 HE3 LYS 39 HE1 LYS 39 88.224 -3.355 11.115 318 HZ1 LYS 39 HZ1 LYS 39 87.246 -1.871 13.114 319 HZ2 LYS 39 HZ2 LYS 39 88.384 -3.115 13.322 320 HZ3 LYS 39 HZ3 LYS 39 86.734 -3.415 13.594 321 H SER 40 HN SER 40 89.681 -3.312 6.476 322 HA SER 40 HA SER 40 88.811 -5.961 7.005 323 HG SER 40 HG SER 40 88.862 -4.638 3.532 324 HB2 SER 40 HB2 SER 40 88.483 -6.563 4.473 325 HB3 SER 40 HB1 SER 40 87.130 -5.889 5.376 326 H LYS 41 HN LYS 41 90.139 -5.084 3.857 327 HA LYS 41 HA LYS 41 92.833 -5.974 4.821 328 HB2 LYS 41 HB2 LYS 41 91.324 -6.577 2.282 329 HB3 LYS 41 HB1 LYS 41 93.085 -6.656 2.313 330 HG2 LYS 41 HG2 LYS 41 93.015 -8.278 4.142 331 HG3 LYS 41 HG1 LYS 41 91.257 -8.154 4.213 332 HD2 LYS 41 HD2 LYS 41 91.184 -8.924 1.814 333 HD3 LYS 41 HD1 LYS 41 92.918 -9.230 1.919 334 HE2 LYS 41 HE2 LYS 41 92.376 -10.667 3.977 335 HE3 LYS 41 HE1 LYS 41 90.693 -10.573 3.460 336 HZ1 LYS 41 HZ1 LYS 41 91.600 -12.519 2.510 337 HZ2 LYS 41 HZ2 LYS 41 92.987 -11.705 1.963 338 HZ3 LYS 41 HZ3 LYS 41 91.478 -11.392 1.247 339 HA PRO 42 HA PRO 42 94.769 -2.187 3.665 340 HB2 PRO 42 HB2 PRO 42 96.228 -3.834 1.619 341 HB3 PRO 42 HB1 PRO 42 96.871 -2.640 2.762 342 HG2 PRO 42 HG2 PRO 42 97.052 -5.285 3.189 343 HG3 PRO 42 HG1 PRO 42 96.884 -4.115 4.506 344 HD2 PRO 42 HD2 PRO 42 94.937 -6.101 3.543 345 HD3 PRO 42 HD1 PRO 42 94.953 -5.195 5.071 346 HA PRO 43 HA PRO 43 92.560 -0.770 0.081 347 HB2 PRO 43 HB2 PRO 43 94.054 1.413 -0.638 348 HB3 PRO 43 HB1 PRO 43 92.986 1.388 0.779 349 HG2 PRO 43 HG2 PRO 43 95.940 1.052 0.638 350 HG3 PRO 43 HG1 PRO 43 94.957 1.925 1.826 351 HD2 PRO 43 HD2 PRO 43 95.996 -0.564 2.302 352 HD3 PRO 43 HD1 PRO 43 94.488 0.012 3.045 353 H LYS 44 HN LYS 44 92.547 -1.284 -2.090 354 HA LYS 44 HA LYS 44 94.997 -1.258 -3.680 355 HB2 LYS 44 HB2 LYS 44 94.954 -3.481 -2.350 356 HB3 LYS 44 HB1 LYS 44 93.619 -3.933 -3.409 357 HG2 LYS 44 HG2 LYS 44 95.000 -3.670 -5.376 358 HG3 LYS 44 HG1 LYS 44 96.315 -2.988 -4.419 359 HD2 LYS 44 HD2 LYS 44 96.731 -5.369 -4.944 360 HD3 LYS 44 HD1 LYS 44 96.555 -5.117 -3.207 361 HE2 LYS 44 HE2 LYS 44 94.127 -5.793 -4.835 362 HE3 LYS 44 HE1 LYS 44 95.248 -7.080 -4.391 363 HZ1 LYS 44 HZ1 LYS 44 93.344 -5.721 -2.777 364 HZ2 LYS 44 HZ2 LYS 44 94.901 -5.594 -2.107 365 HZ3 LYS 44 HZ3 LYS 44 94.236 -7.123 -2.434 366 H LYS 45 HN LYS 45 93.242 -3.583 -5.115 367 HA LYS 45 HA LYS 45 91.016 -1.968 -6.124 368 HB2 LYS 45 HB2 LYS 45 92.836 -1.040 -7.453 369 HB3 LYS 45 HB1 LYS 45 93.382 -2.657 -7.893 370 HG2 LYS 45 HG2 LYS 45 90.539 -2.184 -8.477 371 HG3 LYS 45 HG1 LYS 45 91.628 -1.128 -9.378 372 HD2 LYS 45 HD2 LYS 45 92.908 -3.095 -10.141 373 HD3 LYS 45 HD1 LYS 45 91.819 -4.153 -9.244 374 HE2 LYS 45 HE2 LYS 45 91.288 -3.910 -11.717 375 HE3 LYS 45 HE1 LYS 45 89.952 -3.546 -10.625 376 HZ1 LYS 45 HZ1 LYS 45 90.223 -1.875 -12.379 377 HZ2 LYS 45 HZ2 LYS 45 91.782 -1.525 -11.802 378 HZ3 LYS 45 HZ3 LYS 45 90.424 -1.212 -10.830 379 H GLY 46 HN GLY 46 89.408 -3.320 -6.856 380 HA2 GLY 46 HA2 GLY 46 88.407 -5.296 -7.693 381 HA3 GLY 46 HA1 GLY 46 90.018 -5.977 -7.917 382 H VAL 47 HN VAL 47 91.082 -6.923 -6.052 383 HA VAL 47 HA VAL 47 89.530 -8.611 -4.467 384 HB VAL 47 HB VAL 47 92.186 -7.347 -3.724 385 HG11 VAL 47 HG11 VAL 47 90.677 -9.749 -2.665 386 HG12 VAL 47 HG12 VAL 47 91.249 -8.348 -1.758 387 HG13 VAL 47 HG13 VAL 47 92.405 -9.515 -2.401 388 HG21 VAL 47 HG21 VAL 47 93.181 -9.301 -4.756 389 HG22 VAL 47 HG22 VAL 47 92.083 -8.571 -5.927 390 HG23 VAL 47 HG23 VAL 47 91.593 -10.015 -5.040 391 H GLN 48 HN GLN 48 90.980 -5.532 -3.329 392 HA GLN 48 HA GLN 48 89.309 -5.537 -0.942 393 HB2 GLN 48 HB2 GLN 48 91.643 -4.470 -1.217 394 HB3 GLN 48 HB1 GLN 48 90.808 -3.154 -2.041 395 HG2 GLN 48 HG2 GLN 48 90.051 -4.137 0.722 396 HG3 GLN 48 HG1 GLN 48 91.143 -2.781 0.437 397 HE21 GLN 48 HE21 GLN 48 90.218 -0.872 -0.736 398 HE22 GLN 48 HE22 GLN 48 88.547 -0.582 -0.674 399 H GLY 49 HN GLY 49 89.575 -2.916 -3.353 400 HA2 GLY 49 HA2 GLY 49 86.720 -3.007 -3.951 401 HA3 GLY 49 HA1 GLY 49 87.163 -1.657 -2.905 402 H1U RCY 50 H1U RCY 50 85.273 0.531 -0.101 403 H1S RCY 50 H1S RCY 50 86.774 0.548 -4.316 404 HB1 RCY 50 HB1 RCY 50 86.946 0.038 -6.916 405 HB2 RCY 50 HB2 RCY 50 87.900 1.315 -7.669 406 HA RCY 50 HA RCY 50 89.452 -0.028 -6.437 407 HN1 RCY 50 HN1 RCY 50 88.173 0.121 -3.818 408 H GLY 51 HN GLY 51 88.129 1.957 -3.821 409 HA2 GLY 51 HA2 GLY 51 89.175 3.743 -2.685 410 HA3 GLY 51 HA1 GLY 51 90.592 3.512 -3.711 411 H ASP 52 HN ASP 52 87.173 4.478 -4.201 412 HA ASP 52 HA ASP 52 87.863 6.201 -6.429 413 HB2 ASP 52 HB2 ASP 52 85.600 5.078 -5.983 414 HB3 ASP 52 HB1 ASP 52 85.326 6.349 -4.790 415 H ASP 53 HN ASP 53 85.894 8.280 -5.204 416 HA ASP 53 HA ASP 53 87.566 9.556 -3.149 417 HB2 ASP 53 HB2 ASP 53 87.842 11.645 -4.499 418 HB3 ASP 53 HB1 ASP 53 88.729 10.275 -5.169 419 H ILE 54 HN ILE 54 85.014 10.339 -5.546 420 HA ILE 54 HA ILE 54 83.261 11.141 -3.262 421 HB ILE 54 HB ILE 54 83.582 12.696 -5.848 422 HG12 ILE 54 HG12 ILE 54 84.422 13.431 -3.026 423 HG13 ILE 54 HG11 ILE 54 85.531 12.881 -4.283 424 HG21 ILE 54 HG21 ILE 54 82.135 14.343 -4.687 425 HG22 ILE 54 HG22 ILE 54 81.982 13.233 -3.325 426 HG23 ILE 54 HG23 ILE 54 81.316 12.795 -4.899 427 HD11 ILE 54 HD11 ILE 54 83.872 15.409 -4.248 428 HD12 ILE 54 HD12 ILE 54 84.625 14.794 -5.720 429 HD13 ILE 54 HD13 ILE 54 85.627 15.265 -4.347 430 HA PRO 55 HA PRO 55 81.270 8.022 -6.112 431 HB2 PRO 55 HB2 PRO 55 79.827 7.551 -3.542 432 HB3 PRO 55 HB1 PRO 55 80.532 6.378 -4.671 433 HG2 PRO 55 HG2 PRO 55 81.691 6.945 -2.341 434 HG3 PRO 55 HG1 PRO 55 82.643 6.603 -3.795 435 HD2 PRO 55 HD2 PRO 55 82.128 9.229 -2.456 436 HD3 PRO 55 HD1 PRO 55 83.567 8.676 -3.341 437 H GLY 56 HN GLY 56 78.940 7.855 -6.704 438 HA2 GLY 56 HA2 GLY 56 76.730 8.706 -6.889 439 HA3 GLY 56 HA1 GLY 56 77.108 9.884 -5.632 440 H MET 57 HN MET 57 79.462 9.745 -8.096 441 HA MET 57 HA MET 57 78.153 11.726 -9.832 442 HB2 MET 57 HB2 MET 57 79.119 12.967 -7.799 443 HB3 MET 57 HB1 MET 57 80.708 12.529 -8.429 444 HG2 MET 57 HG2 MET 57 80.231 13.667 -10.535 445 HG3 MET 57 HG1 MET 57 78.589 14.024 -10.002 446 HE1 MET 57 HE1 MET 57 79.230 16.361 -10.838 447 HE2 MET 57 HE2 MET 57 79.479 17.568 -9.579 448 HE3 MET 57 HE3 MET 57 78.128 16.444 -9.458 449 H GLU 58 HN GLU 58 80.621 9.445 -9.120 450 HA GLU 58 HA GLU 58 81.269 9.163 -11.939 451 HB2 GLU 58 HB2 GLU 58 83.742 9.601 -11.589 452 HB3 GLU 58 HB1 GLU 58 82.725 11.042 -11.548 453 HG2 GLU 58 HG2 GLU 58 82.703 10.982 -9.093 454 HG3 GLU 58 HG1 GLU 58 83.676 9.511 -9.108 455 H GLY 59 HN GLY 59 81.138 8.086 -8.761 456 HA2 GLY 59 HA2 GLY 59 83.043 5.872 -9.063 457 HA3 GLY 59 HA1 GLY 59 81.978 6.141 -7.683 458 H1U RCY 60 H1U RCY 60 74.561 4.044 -4.370 459 H1S RCY 60 H1S RCY 60 78.692 1.973 -5.886 460 HB1 RCY 60 HB1 RCY 60 77.977 2.560 -9.041 461 HB2 RCY 60 HB2 RCY 60 77.490 3.983 -8.121 462 HA RCY 60 HA RCY 60 79.229 3.801 -10.560 463 HN1 RCY 60 HN1 RCY 60 79.491 6.237 -8.898 464 H GLY 61 HN GLY 61 76.696 3.491 -10.949 465 HA2 GLY 61 HA2 GLY 61 74.684 5.267 -10.731 466 HA3 GLY 61 HA1 GLY 61 75.728 6.129 -11.862 467 H THR 62 HN THR 62 76.609 3.400 -12.938 468 HA THR 62 HA THR 62 74.331 3.124 -14.831 469 HB THR 62 HB THR 62 76.176 3.265 -16.191 470 HG1 THR 62 HG1 THR 62 76.500 0.578 -15.359 471 HG21 THR 62 HG21 THR 62 78.439 2.298 -15.400 472 HG22 THR 62 HG22 THR 62 77.677 2.174 -13.814 473 HG23 THR 62 HG23 THR 62 77.844 3.748 -14.592 474 H ASP 63 HN ASP 63 76.626 0.893 -13.201 475 HA ASP 63 HA ASP 63 74.882 -1.381 -13.552 476 HB2 ASP 63 HB2 ASP 63 77.211 -0.962 -11.654 477 HB3 ASP 63 HB1 ASP 63 76.443 -2.514 -11.988 478 H ILE 64 HN ILE 64 73.840 1.093 -12.086 479 HA ILE 64 HA ILE 64 72.667 -0.417 -9.800 480 HB ILE 64 HB ILE 64 73.888 2.355 -9.675 481 HG12 ILE 64 HG12 ILE 64 74.387 -0.123 -7.999 482 HG13 ILE 64 HG11 ILE 64 75.383 0.347 -9.377 483 HG21 ILE 64 HG21 ILE 64 71.837 2.518 -8.469 484 HG22 ILE 64 HG22 ILE 64 73.073 2.210 -7.250 485 HG23 ILE 64 HG23 ILE 64 72.022 0.901 -7.791 486 HD11 ILE 64 HD11 ILE 64 75.014 1.791 -6.753 487 HD12 ILE 64 HD12 ILE 64 75.619 2.627 -8.184 488 HD13 ILE 64 HD13 ILE 64 76.516 1.264 -7.514 489 H THR 65 HN THR 65 72.511 2.574 -11.748 490 HA THR 65 HA THR 65 69.717 3.035 -11.116 491 HB THR 65 HB THR 65 71.310 4.120 -13.456 492 HG1 THR 65 HG1 THR 65 71.852 5.782 -12.068 493 HG21 THR 65 HG21 THR 65 68.804 5.018 -12.017 494 HG22 THR 65 HG22 THR 65 68.954 4.541 -13.708 495 HG23 THR 65 HG23 THR 65 69.695 6.039 -13.145 496 H VAL 66 HN VAL 66 71.463 1.321 -13.646 497 HA VAL 66 HA VAL 66 68.908 0.784 -15.079 498 HB VAL 66 HB VAL 66 71.679 -0.105 -15.902 499 HG11 VAL 66 HG11 VAL 66 69.229 0.554 -17.557 500 HG12 VAL 66 HG12 VAL 66 69.594 -1.072 -16.980 501 HG13 VAL 66 HG13 VAL 66 70.698 -0.262 -18.093 502 HG21 VAL 66 HG21 VAL 66 71.598 1.979 -17.369 503 HG22 VAL 66 HG22 VAL 66 71.866 2.275 -15.652 504 HG23 VAL 66 HG23 VAL 66 70.269 2.538 -16.353 505 H ILE 67 HN ILE 67 71.707 -1.009 -13.738 506 HA ILE 67 HA ILE 67 69.842 -3.282 -13.193 507 HB ILE 67 HB ILE 67 72.617 -3.460 -14.404 508 HG12 ILE 67 HG12 ILE 67 69.960 -4.445 -15.477 509 HG13 ILE 67 HG11 ILE 67 70.654 -2.883 -15.911 510 HG21 ILE 67 HG21 ILE 67 72.035 -5.945 -14.441 511 HG22 ILE 67 HG22 ILE 67 70.730 -5.562 -13.319 512 HG23 ILE 67 HG23 ILE 67 72.407 -5.272 -12.854 513 HD11 ILE 67 HD11 ILE 67 71.248 -4.571 -17.594 514 HD12 ILE 67 HD12 ILE 67 71.960 -5.587 -16.340 515 HD13 ILE 67 HD13 ILE 67 72.691 -4.031 -16.735 516 H1U RCY 68 H1U RCY 68 68.078 2.235 -4.540 517 H1S RCY 68 H1S RCY 68 71.051 -1.554 -4.979 518 HB1 RCY 68 HB1 RCY 68 69.466 -2.339 -8.796 519 HB2 RCY 68 HB2 RCY 68 70.804 -1.205 -8.616 520 HA RCY 68 HA RCY 68 72.362 -2.700 -9.520 521 HN1 RCY 68 HN1 RCY 68 69.789 -3.016 -10.969 522 HA PRO 69 HA PRO 69 72.800 -7.087 -8.830 523 HB2 PRO 69 HB2 PRO 69 73.557 -6.114 -6.092 524 HB3 PRO 69 HB1 PRO 69 74.376 -7.297 -7.131 525 HG2 PRO 69 HG2 PRO 69 75.251 -4.781 -6.889 526 HG3 PRO 69 HG1 PRO 69 75.378 -5.678 -8.410 527 HD2 PRO 69 HD2 PRO 69 73.612 -3.400 -7.732 528 HD3 PRO 69 HD1 PRO 69 74.136 -3.984 -9.326 529 H TRP 70 HN TRP 70 70.863 -4.983 -6.825 530 HA TRP 70 HA TRP 70 69.704 -6.957 -5.108 531 HD1 TRP 70 HD1 TRP 70 68.084 -7.104 -3.493 532 HE1 TRP 70 HE1 TRP 70 65.612 -7.081 -2.766 533 HE3 TRP 70 HE3 TRP 70 66.419 -3.083 -6.163 534 HZ2 TRP 70 HZ2 TRP 70 63.237 -5.556 -3.254 535 HZ3 TRP 70 HZ3 TRP 70 64.054 -2.368 -6.015 536 HH2 TRP 70 HH2 TRP 70 62.461 -3.595 -4.567 537 HB2 TRP 70 HB2 TRP 70 69.448 -4.588 -4.616 538 HB3 TRP 70 HB1 TRP 70 68.591 -4.329 -6.135 539 H GLU 71 HN GLU 71 69.041 -6.012 -8.424 540 HA GLU 71 HA GLU 71 66.477 -7.368 -8.579 541 HB2 GLU 71 HB2 GLU 71 68.417 -6.362 -10.675 542 HB3 GLU 71 HB1 GLU 71 66.892 -7.148 -11.085 543 HG2 GLU 71 HG2 GLU 71 65.703 -5.446 -9.674 544 HG3 GLU 71 HG1 GLU 71 67.244 -4.614 -9.460 545 H ALA 72 HN ALA 72 69.257 -8.172 -10.641 546 HA ALA 72 HA ALA 72 68.528 -10.994 -10.573 547 HB1 ALA 72 HB1 ALA 72 71.023 -9.690 -11.704 548 HB2 ALA 72 HB2 ALA 72 69.508 -9.878 -12.588 549 HB3 ALA 72 HB3 ALA 72 70.418 -11.302 -12.084 550 H1U RCY 73 H1U RCY 73 73.708 -7.405 -0.579 551 H1S RCY 73 H1S RCY 73 72.389 -9.586 -4.722 552 HB1 RCY 73 HB1 RCY 73 69.104 -11.734 -5.680 553 HB2 RCY 73 HB2 RCY 73 69.528 -10.022 -5.627 554 HA RCY 73 HA RCY 73 71.587 -10.570 -6.974 555 HN1 RCY 73 HN1 RCY 73 68.933 -10.399 -7.977 556 H ASN 74 HN ASN 74 72.557 -12.166 -8.450 557 HA ASN 74 HA ASN 74 72.560 -14.831 -7.293 558 HB2 ASN 74 HB2 ASN 74 70.522 -14.961 -8.707 559 HB3 ASN 74 HB1 ASN 74 71.486 -14.506 -10.112 560 HD21 ASN 74 HD21 ASN 74 71.248 -17.038 -7.570 561 HD22 ASN 74 HD22 ASN 74 71.939 -18.266 -8.516 562 H HIS 75 HN HIS 75 73.330 -13.003 -10.272 563 HA HIS 75 HA HIS 75 75.623 -14.503 -11.009 564 HD1 HIS 75 HD1 HIS 75 76.938 -14.176 -13.390 565 HD2 HIS 75 HD2 HIS 75 77.466 -10.388 -11.724 566 HE1 HIS 75 HE1 HIS 75 79.240 -13.396 -14.102 567 HE2 HIS 75 HE2 HIS 75 79.574 -11.092 -13.094 568 HB2 HIS 75 HB2 HIS 75 74.675 -12.892 -12.549 569 HB3 HIS 75 HB1 HIS 75 74.973 -11.570 -11.420 570 H1U RCY 76 H1U RCY 76 77.753 -7.002 -1.940 571 H1S RCY 76 H1S RCY 76 77.721 -9.065 -5.429 572 HB1 RCY 76 HB1 RCY 76 77.259 -12.733 -7.041 573 HB2 RCY 76 HB2 RCY 76 76.414 -11.190 -6.922 574 HA RCY 76 HA RCY 76 77.869 -10.256 -8.684 575 HN1 RCY 76 HN1 RCY 76 76.236 -11.179 -10.086 576 H GLU 77 HN GLU 77 80.021 -10.236 -9.084 577 HA GLU 77 HA GLU 77 81.372 -12.477 -10.269 578 HB2 GLU 77 HB2 GLU 77 81.972 -10.011 -10.520 579 HB3 GLU 77 HB1 GLU 77 82.702 -10.116 -8.919 580 HG2 GLU 77 HG2 GLU 77 84.236 -11.840 -9.667 581 HG3 GLU 77 HG1 GLU 77 83.434 -11.929 -11.235 582 H LEU 78 HN LEU 78 82.545 -10.868 -7.314 583 HA LEU 78 HA LEU 78 83.083 -13.586 -6.179 584 HG LEU 78 HG LEU 78 85.141 -13.382 -7.205 585 HB2 LEU 78 HB2 LEU 78 84.577 -11.022 -6.196 586 HB3 LEU 78 HB1 LEU 78 84.588 -11.881 -4.657 587 HD11 LEU 78 HD11 LEU 78 87.041 -11.602 -5.666 588 HD12 LEU 78 HD12 LEU 78 86.718 -11.603 -7.400 589 HD13 LEU 78 HD13 LEU 78 87.607 -12.939 -6.668 590 HD21 LEU 78 HD21 LEU 78 86.027 -13.660 -4.315 591 HD22 LEU 78 HD22 LEU 78 86.503 -14.744 -5.622 592 HD23 LEU 78 HD23 LEU 78 84.812 -14.646 -5.130 593 H HIS 79 HN HIS 79 83.294 -13.227 -3.582 594 HA HIS 79 HA HIS 79 82.038 -12.962 -1.618 595 HD1 HIS 79 HD1 HIS 79 84.129 -12.125 -1.947 596 HD2 HIS 79 HD2 HIS 79 82.821 -8.240 -2.720 597 HE1 HIS 79 HE1 HIS 79 86.212 -10.712 -2.230 598 HE2 HIS 79 HE2 HIS 79 85.430 -8.345 -2.701 599 HB2 HIS 79 HB2 HIS 79 80.948 -10.448 -2.894 600 HB3 HIS 79 HB1 HIS 79 81.219 -10.771 -1.182 601 H GLU 80 HN GLU 80 80.828 -14.797 -3.056 602 HA GLU 80 HA GLU 80 78.041 -13.955 -3.631 603 HB2 GLU 80 HB2 GLU 80 78.010 -16.594 -4.166 604 HB3 GLU 80 HB1 GLU 80 78.605 -15.408 -5.327 605 HG2 GLU 80 HG2 GLU 80 80.878 -15.826 -4.749 606 HG3 GLU 80 HG1 GLU 80 80.423 -16.707 -3.290 607 H LEU 81 HN LEU 81 79.896 -15.412 -1.124 608 HA LEU 81 HA LEU 81 77.742 -16.962 0.061 609 HG LEU 81 HG LEU 81 80.942 -18.347 1.105 610 HB2 LEU 81 HB2 LEU 81 80.414 -15.967 1.061 611 HB3 LEU 81 HB1 LEU 81 79.283 -16.782 2.138 612 HD11 LEU 81 HD11 LEU 81 78.343 -19.114 -0.127 613 HD12 LEU 81 HD12 LEU 81 78.327 -18.768 1.603 614 HD13 LEU 81 HD13 LEU 81 79.383 -20.028 0.965 615 HD21 LEU 81 HD21 LEU 81 80.945 -16.999 -1.090 616 HD22 LEU 81 HD22 LEU 81 79.457 -17.860 -1.482 617 HD23 LEU 81 HD23 LEU 81 80.955 -18.756 -1.238 618 H ALA 82 HN ALA 82 78.578 -13.630 -0.017 619 HA ALA 82 HA ALA 82 77.420 -12.810 2.487 620 HB1 ALA 82 HB1 ALA 82 77.516 -10.570 1.597 621 HB2 ALA 82 HB2 ALA 82 77.586 -11.174 -0.059 622 HB3 ALA 82 HB3 ALA 82 78.953 -11.419 1.029 623 H GLN 83 HN GLN 83 75.875 -14.519 0.303 624 HA GLN 83 HA GLN 83 73.506 -12.874 -0.163 625 HB2 GLN 83 HB2 GLN 83 74.541 -15.061 -1.424 626 HB3 GLN 83 HB1 GLN 83 73.297 -15.826 -0.438 627 HG2 GLN 83 HG2 GLN 83 71.599 -14.320 -1.349 628 HG3 GLN 83 HG1 GLN 83 72.828 -13.458 -2.276 629 HE21 GLN 83 HE21 GLN 83 72.748 -16.999 -1.850 630 HE22 GLN 83 HE22 GLN 83 72.453 -17.354 -3.483 631 H TYR 84 HN TYR 84 74.611 -15.101 2.280 632 HA TYR 84 HA TYR 84 71.987 -15.686 3.378 633 HD1 TYR 84 HD2 TYR 84 74.155 -17.236 1.883 634 HD2 TYR 84 HD1 TYR 84 72.733 -18.406 5.764 635 HE1 TYR 84 HE2 TYR 84 73.660 -19.507 1.017 636 HE2 TYR 84 HE1 TYR 84 72.238 -20.676 4.898 637 HH TYR 84 HH TYR 84 72.748 -22.124 3.143 638 HB2 TYR 84 HB2 TYR 84 74.827 -16.076 4.273 639 HB3 TYR 84 HB1 TYR 84 73.531 -16.246 5.457 640 H GLY 85 HN GLY 85 74.170 -13.015 3.601 641 HA2 GLY 85 HA2 GLY 85 73.757 -10.915 4.617 642 HA3 GLY 85 HA1 GLY 85 72.267 -11.574 5.294 643 H ILE 86 HN ILE 86 74.801 -13.681 5.904 644 HA ILE 86 HA ILE 86 74.721 -13.193 8.737 645 HB ILE 86 HB ILE 86 75.459 -15.313 7.194 646 HG12 ILE 86 HG12 ILE 86 74.844 -15.367 9.588 647 HG13 ILE 86 HG11 ILE 86 76.290 -16.332 9.288 648 HG21 ILE 86 HG21 ILE 86 77.597 -14.013 6.645 649 HG22 ILE 86 HG22 ILE 86 77.820 -15.655 7.248 650 HG23 ILE 86 HG23 ILE 86 78.067 -14.279 8.324 651 HD11 ILE 86 HD11 ILE 86 76.162 -13.533 10.440 652 HD12 ILE 86 HD12 ILE 86 77.663 -14.310 9.936 653 HD13 ILE 86 HD13 ILE 86 76.713 -14.998 11.253 654 H1U RCY 87 H1U RCY 87 75.472 -4.797 5.374 655 H1S RCY 87 H1S RCY 87 75.108 -8.043 4.312 656 HB1 RCY 87 HB1 RCY 87 77.694 -9.570 5.292 657 HB2 RCY 87 HB2 RCY 87 78.063 -8.314 6.474 658 HA RCY 87 HA RCY 87 78.634 -10.691 7.191 659 HN1 RCY 87 HN1 RCY 87 75.961 -11.251 6.483 Start of MODEL 2 1 HA MET 1 HA MET 1 54.281 9.450 6.887 2 HB2 MET 1 HB2 MET 1 55.991 10.468 8.517 3 HB3 MET 1 HB1 MET 1 56.251 11.707 7.288 4 HG2 MET 1 HG2 MET 1 53.691 12.003 7.298 5 HG3 MET 1 HG1 MET 1 53.714 11.080 8.801 6 HE1 MET 1 HE1 MET 1 54.711 11.757 10.961 7 HE2 MET 1 HE2 MET 1 53.143 12.509 10.678 8 HE3 MET 1 HE3 MET 1 54.439 13.441 11.425 9 H ASN 2 HN ASN 2 54.811 9.037 4.249 10 HA ASN 2 HA ASN 2 53.631 11.324 2.984 11 HB2 ASN 2 HB2 ASN 2 55.619 11.824 1.466 12 HB3 ASN 2 HB1 ASN 2 55.771 12.391 3.129 13 HD21 ASN 2 HD21 ASN 2 55.996 8.989 2.985 14 HD22 ASN 2 HD22 ASN 2 57.688 8.861 3.025 15 H LEU 3 HN LEU 3 53.600 8.306 3.168 16 HA LEU 3 HA LEU 3 53.030 7.831 0.345 17 HG LEU 3 HG LEU 3 53.990 4.769 0.484 18 HB2 LEU 3 HB2 LEU 3 55.428 7.434 0.287 19 HB3 LEU 3 HB1 LEU 3 55.329 6.394 1.706 20 HD11 LEU 3 HD11 LEU 3 53.785 5.258 -2.080 21 HD12 LEU 3 HD12 LEU 3 53.987 6.942 -1.597 22 HD13 LEU 3 HD13 LEU 3 52.631 6.003 -0.973 23 HD21 LEU 3 HD21 LEU 3 56.439 5.727 -1.027 24 HD22 LEU 3 HD22 LEU 3 55.639 4.186 -1.339 25 HD23 LEU 3 HD23 LEU 3 56.382 4.493 0.231 26 H GLU 4 HN GLU 4 51.350 6.400 0.252 27 HA GLU 4 HA GLU 4 49.999 5.439 2.494 28 HB2 GLU 4 HB2 GLU 4 50.125 4.086 -0.215 29 HB3 GLU 4 HB1 GLU 4 48.846 3.897 0.985 30 HG2 GLU 4 HG2 GLU 4 49.605 6.522 -0.330 31 HG3 GLU 4 HG1 GLU 4 48.230 5.522 -0.799 32 HA PRO 5 HA PRO 5 53.013 2.527 4.196 33 HB2 PRO 5 HB2 PRO 5 50.439 1.378 5.227 34 HB3 PRO 5 HB1 PRO 5 51.966 1.668 6.085 35 HG2 PRO 5 HG2 PRO 5 49.886 3.312 6.351 36 HG3 PRO 5 HG1 PRO 5 51.550 3.918 6.333 37 HD2 PRO 5 HD2 PRO 5 49.445 4.168 4.251 38 HD3 PRO 5 HD1 PRO 5 50.860 5.200 4.555 39 HA PRO 6 HA PRO 6 51.979 -0.558 0.978 40 HB2 PRO 6 HB2 PRO 6 54.521 -1.156 0.255 41 HB3 PRO 6 HB1 PRO 6 53.709 0.326 -0.288 42 HG2 PRO 6 HG2 PRO 6 55.752 -0.038 1.835 43 HG3 PRO 6 HG1 PRO 6 55.520 1.305 0.705 44 HD2 PRO 6 HD2 PRO 6 54.691 1.292 3.377 45 HD3 PRO 6 HD1 PRO 6 54.087 2.394 2.122 46 H LYS 7 HN LYS 7 52.258 -2.895 0.882 47 HA LYS 7 HA LYS 7 52.571 -4.133 3.474 48 HB2 LYS 7 HB2 LYS 7 52.472 -6.284 2.040 49 HB3 LYS 7 HB1 LYS 7 51.060 -5.230 2.021 50 HG2 LYS 7 HG2 LYS 7 53.146 -4.618 0.001 51 HG3 LYS 7 HG1 LYS 7 52.266 -6.128 -0.239 52 HD2 LYS 7 HD2 LYS 7 50.732 -3.633 0.411 53 HD3 LYS 7 HD1 LYS 7 51.313 -3.880 -1.236 54 HE2 LYS 7 HE2 LYS 7 50.195 -6.095 -1.281 55 HE3 LYS 7 HE1 LYS 7 49.575 -5.800 0.344 56 HZ1 LYS 7 HZ1 LYS 7 48.573 -4.881 -2.141 57 HZ2 LYS 7 HZ2 LYS 7 48.937 -3.561 -1.135 58 HZ3 LYS 7 HZ3 LYS 7 47.872 -4.772 -0.599 59 H ALA 8 HN ALA 8 54.083 -6.108 1.194 60 HA ALA 8 HA ALA 8 56.271 -6.967 1.147 61 HB1 ALA 8 HB1 ALA 8 57.054 -4.058 1.467 62 HB2 ALA 8 HB2 ALA 8 56.485 -4.742 -0.056 63 HB3 ALA 8 HB3 ALA 8 57.976 -5.336 0.675 64 H GLU 9 HN GLU 9 55.277 -7.358 3.618 65 HA GLU 9 HA GLU 9 56.789 -6.073 5.724 66 HB2 GLU 9 HB2 GLU 9 55.257 -8.692 5.704 67 HB3 GLU 9 HB1 GLU 9 55.876 -7.894 7.151 68 HG2 GLU 9 HG2 GLU 9 54.005 -6.526 5.207 69 HG3 GLU 9 HG1 GLU 9 53.429 -7.432 6.607 70 H1U RCY 10 H1U RCY 10 58.552 -12.504 8.816 71 H1S RCY 10 H1S RCY 10 58.609 -12.731 3.964 72 HB1 RCY 10 HB1 RCY 10 60.718 -9.302 4.371 73 HB2 RCY 10 HB2 RCY 10 59.260 -9.051 3.412 74 HA RCY 10 HA RCY 10 58.611 -11.099 5.239 75 HN1 RCY 10 HN1 RCY 10 56.820 -9.586 5.244 76 H ARG 11 HN ARG 11 59.354 -11.651 7.229 77 HA ARG 11 HA ARG 11 60.222 -9.732 9.186 78 HE ARG 11 HE ARG 11 60.450 -11.300 13.526 79 HB2 ARG 11 HB2 ARG 11 59.544 -12.443 9.185 80 HB3 ARG 11 HB1 ARG 11 61.254 -12.445 9.608 81 HG2 ARG 11 HG2 ARG 11 59.159 -10.718 10.962 82 HG3 ARG 11 HG1 ARG 11 59.757 -12.247 11.606 83 HD2 ARG 11 HD2 ARG 11 62.118 -11.144 11.287 84 HD3 ARG 11 HD1 ARG 11 61.207 -9.634 11.289 85 HH11 ARG 11 HH21 ARG 11 62.868 -9.194 12.259 86 HH12 ARG 11 HH22 ARG 11 63.426 -8.680 13.816 87 HH21 ARG 11 HH11 ARG 11 61.164 -10.641 15.567 88 HH22 ARG 11 HH12 ARG 11 62.461 -9.499 15.689 89 H SER 12 HN SER 12 62.414 -9.503 10.049 90 HA SER 12 HA SER 12 64.400 -9.011 8.117 91 HG SER 12 HG SER 12 66.741 -8.622 10.762 92 HB2 SER 12 HB2 SER 12 64.550 -8.083 10.371 93 HB3 SER 12 HB1 SER 12 64.729 -9.697 11.054 94 H ALA 13 HN ALA 13 63.287 -12.010 9.277 95 HA ALA 13 HA ALA 13 64.029 -14.204 8.907 96 HB1 ALA 13 HB1 ALA 13 64.235 -13.140 6.555 97 HB2 ALA 13 HB2 ALA 13 65.139 -14.623 6.861 98 HB3 ALA 13 HB3 ALA 13 65.964 -13.065 6.891 99 H THR 14 HN THR 14 65.876 -15.624 9.333 100 HA THR 14 HA THR 14 68.385 -14.354 10.224 101 HB THR 14 HB THR 14 68.209 -15.505 12.473 102 HG1 THR 14 HG1 THR 14 65.577 -15.530 12.638 103 HG21 THR 14 HG21 THR 14 66.025 -13.465 12.006 104 HG22 THR 14 HG22 THR 14 67.738 -13.046 12.037 105 HG23 THR 14 HG23 THR 14 66.968 -13.717 13.475 106 H ARG 15 HN ARG 15 69.902 -15.646 9.310 107 HA ARG 15 HA ARG 15 69.837 -18.534 9.767 108 HE ARG 15 HE ARG 15 69.163 -14.574 5.300 109 HB2 ARG 15 HB2 ARG 15 69.697 -19.246 7.493 110 HB3 ARG 15 HB1 ARG 15 68.369 -18.110 7.716 111 HG2 ARG 15 HG2 ARG 15 71.057 -17.531 6.438 112 HG3 ARG 15 HG1 ARG 15 69.487 -17.557 5.634 113 HD2 ARG 15 HD2 ARG 15 68.803 -15.724 7.318 114 HD3 ARG 15 HD1 ARG 15 70.529 -15.558 7.641 115 HH11 ARG 15 HH21 ARG 15 72.050 -16.071 6.447 116 HH12 ARG 15 HH22 ARG 15 73.046 -15.420 5.188 117 HH21 ARG 15 HH11 ARG 15 70.447 -13.716 3.650 118 HH22 ARG 15 HH12 ARG 15 72.138 -14.086 3.605 119 H VAL 16 HN VAL 16 71.742 -19.304 7.887 120 HA VAL 16 HA VAL 16 73.981 -17.374 8.091 121 HB VAL 16 HB VAL 16 74.180 -18.627 10.170 122 HG11 VAL 16 HG11 VAL 16 74.094 -21.090 8.398 123 HG12 VAL 16 HG12 VAL 16 72.820 -20.575 9.504 124 HG13 VAL 16 HG13 VAL 16 74.382 -21.090 10.138 125 HG21 VAL 16 HG21 VAL 16 76.415 -19.423 9.908 126 HG22 VAL 16 HG22 VAL 16 76.224 -18.162 8.690 127 HG23 VAL 16 HG23 VAL 16 76.140 -19.860 8.222 128 H MET 17 HN MET 17 75.853 -18.106 6.760 129 HA MET 17 HA MET 17 76.782 -19.095 4.843 130 HB2 MET 17 HB2 MET 17 75.504 -21.175 6.054 131 HB3 MET 17 HB1 MET 17 74.614 -21.109 4.535 132 HG2 MET 17 HG2 MET 17 77.634 -21.256 4.789 133 HG3 MET 17 HG1 MET 17 76.580 -22.603 4.361 134 HE1 MET 17 HE1 MET 17 78.231 -22.883 2.465 135 HE2 MET 17 HE2 MET 17 77.680 -22.398 0.864 136 HE3 MET 17 HE3 MET 17 76.604 -23.309 1.920 137 H GLY 18 HN GLY 18 76.284 -17.308 3.518 138 HA2 GLY 18 HA2 GLY 18 73.704 -16.717 2.458 139 HA3 GLY 18 HA1 GLY 18 75.228 -16.177 1.753 140 H GLY 19 HN GLY 19 75.440 -19.465 1.979 141 HA2 GLY 19 HA2 GLY 19 75.123 -21.229 0.453 142 HA3 GLY 19 HA1 GLY 19 73.838 -20.277 -0.292 143 HA PRO 20 HA PRO 20 77.624 -20.762 -3.149 144 HB2 PRO 20 HB2 PRO 20 75.260 -20.855 -4.987 145 HB3 PRO 20 HB1 PRO 20 76.766 -21.793 -5.039 146 HG2 PRO 20 HG2 PRO 20 74.488 -22.860 -4.164 147 HG3 PRO 20 HG1 PRO 20 76.050 -23.283 -3.445 148 HD2 PRO 20 HD2 PRO 20 73.863 -21.599 -2.326 149 HD3 PRO 20 HD1 PRO 20 75.089 -22.567 -1.479 150 H1U RCY 21 H1U RCY 21 73.387 -10.173 -2.007 151 H1S RCY 21 H1S RCY 21 75.455 -14.056 -4.090 152 HB1 RCY 21 HB1 RCY 21 78.554 -16.143 -2.358 153 HB2 RCY 21 HB2 RCY 21 76.791 -16.193 -2.374 154 HA RCY 21 HA RCY 21 76.856 -16.686 -4.813 155 HN1 RCY 21 HN1 RCY 21 78.489 -18.736 -3.389 156 H THR 22 HN THR 22 77.982 -16.174 -6.619 157 HA THR 22 HA THR 22 80.922 -15.769 -6.405 158 HB THR 22 HB THR 22 79.657 -17.393 -8.628 159 HG1 THR 22 HG1 THR 22 80.105 -18.127 -6.170 160 HG21 THR 22 HG21 THR 22 81.768 -16.144 -9.129 161 HG22 THR 22 HG22 THR 22 81.960 -17.895 -9.222 162 HG23 THR 22 HG23 THR 22 82.551 -17.017 -7.811 163 HA PRO 23 HA PRO 23 78.980 -12.135 -8.459 164 HB2 PRO 23 HB2 PRO 23 81.838 -11.282 -8.224 165 HB3 PRO 23 HB1 PRO 23 80.358 -10.388 -7.825 166 HG2 PRO 23 HG2 PRO 23 81.896 -11.443 -5.928 167 HG3 PRO 23 HG1 PRO 23 80.131 -11.420 -5.780 168 HD2 PRO 23 HD2 PRO 23 81.938 -13.721 -6.392 169 HD3 PRO 23 HD1 PRO 23 80.383 -13.704 -5.530 170 H ARG 24 HN ARG 24 79.242 -11.257 -10.609 171 HA ARG 24 HA ARG 24 81.442 -12.069 -12.315 172 HE ARG 24 HE ARG 24 76.147 -14.671 -11.572 173 HB2 ARG 24 HB2 ARG 24 79.761 -13.332 -13.891 174 HB3 ARG 24 HB1 ARG 24 80.478 -14.191 -12.527 175 HG2 ARG 24 HG2 ARG 24 78.506 -13.864 -11.184 176 HG3 ARG 24 HG1 ARG 24 77.810 -12.765 -12.376 177 HD2 ARG 24 HD2 ARG 24 77.498 -14.530 -13.960 178 HD3 ARG 24 HD1 ARG 24 78.494 -15.641 -13.019 179 HH11 ARG 24 HH21 ARG 24 77.477 -16.976 -13.764 180 HH12 ARG 24 HH22 ARG 24 76.296 -18.193 -13.410 181 HH21 ARG 24 HH11 ARG 24 74.597 -16.247 -11.097 182 HH22 ARG 24 HH12 ARG 24 74.665 -17.780 -11.900 183 H LYS 25 HN LYS 25 81.624 -10.083 -13.263 184 HA LYS 25 HA LYS 25 79.435 -9.160 -14.986 185 HB2 LYS 25 HB2 LYS 25 79.486 -6.847 -13.965 186 HB3 LYS 25 HB1 LYS 25 78.731 -8.076 -12.953 187 HG2 LYS 25 HG2 LYS 25 81.669 -7.658 -12.629 188 HG3 LYS 25 HG1 LYS 25 80.599 -6.412 -11.986 189 HD2 LYS 25 HD2 LYS 25 79.301 -8.331 -10.874 190 HD3 LYS 25 HD1 LYS 25 80.693 -9.343 -11.260 191 HE2 LYS 25 HE2 LYS 25 81.173 -8.566 -9.087 192 HE3 LYS 25 HE1 LYS 25 82.094 -7.476 -10.122 193 HZ1 LYS 25 HZ1 LYS 25 80.220 -6.760 -8.256 194 HZ2 LYS 25 HZ2 LYS 25 79.425 -6.561 -9.744 195 HZ3 LYS 25 HZ3 LYS 25 80.892 -5.756 -9.447 196 H GLY 26 HN GLY 26 80.289 -6.802 -15.859 197 HA2 GLY 26 HA2 GLY 26 82.957 -6.094 -15.999 198 HA3 GLY 26 HA1 GLY 26 82.830 -7.433 -17.140 199 HA PRO 27 HA PRO 27 80.984 -5.243 -20.475 200 HB2 PRO 27 HB2 PRO 27 78.223 -6.046 -19.617 201 HB3 PRO 27 HB1 PRO 27 78.975 -6.144 -21.222 202 HG2 PRO 27 HG2 PRO 27 78.708 -8.295 -19.673 203 HG3 PRO 27 HG1 PRO 27 80.123 -8.067 -20.714 204 HD2 PRO 27 HD2 PRO 27 79.925 -7.876 -17.755 205 HD3 PRO 27 HD1 PRO 27 81.334 -8.251 -18.770 206 HA PRO 28 HA PRO 28 79.907 -1.121 -19.284 207 HB2 PRO 28 HB2 PRO 28 77.587 -1.391 -21.169 208 HB3 PRO 28 HB1 PRO 28 78.775 -0.080 -21.028 209 HG2 PRO 28 HG2 PRO 28 78.924 -1.933 -22.955 210 HG3 PRO 28 HG1 PRO 28 80.365 -1.209 -22.225 211 HD2 PRO 28 HD2 PRO 28 79.317 -3.958 -21.939 212 HD3 PRO 28 HD1 PRO 28 80.955 -3.340 -21.636 213 H LYS 29 HN LYS 29 78.832 -0.477 -17.467 214 HA LYS 29 HA LYS 29 76.081 -0.555 -16.984 215 HB2 LYS 29 HB2 LYS 29 77.320 -3.168 -16.637 216 HB3 LYS 29 HB1 LYS 29 76.651 -2.604 -15.111 217 HG2 LYS 29 HG2 LYS 29 74.472 -2.381 -16.017 218 HG3 LYS 29 HG1 LYS 29 75.065 -2.453 -17.677 219 HD2 LYS 29 HD2 LYS 29 75.587 -4.787 -15.875 220 HD3 LYS 29 HD1 LYS 29 73.967 -4.586 -16.544 221 HE2 LYS 29 HE2 LYS 29 76.536 -4.690 -18.153 222 HE3 LYS 29 HE1 LYS 29 75.355 -5.993 -18.019 223 HZ1 LYS 29 HZ1 LYS 29 73.875 -3.819 -18.732 224 HZ2 LYS 29 HZ2 LYS 29 74.374 -5.070 -19.768 225 HZ3 LYS 29 HZ3 LYS 29 75.291 -3.644 -19.649 226 H1U RCY 30 H1U RCY 30 74.448 2.488 -10.129 227 H1S RCY 30 H1S RCY 30 73.761 3.340 -13.355 228 HB1 RCY 30 HB1 RCY 30 77.216 2.652 -12.543 229 HB2 RCY 30 HB2 RCY 30 77.025 0.907 -12.708 230 HA RCY 30 HA RCY 30 78.271 2.849 -14.658 231 HN1 RCY 30 HN1 RCY 30 77.427 1.452 -16.345 232 H LYS 31 HN LYS 31 80.487 2.601 -14.680 233 HA LYS 31 HA LYS 31 82.066 0.403 -14.183 234 HB2 LYS 31 HB2 LYS 31 83.611 2.227 -12.942 235 HB3 LYS 31 HB1 LYS 31 83.394 2.213 -14.690 236 HG2 LYS 31 HG2 LYS 31 83.042 4.480 -13.753 237 HG3 LYS 31 HG1 LYS 31 81.569 3.853 -14.494 238 HD2 LYS 31 HD2 LYS 31 80.553 3.431 -12.419 239 HD3 LYS 31 HD1 LYS 31 82.093 3.435 -11.558 240 HE2 LYS 31 HE2 LYS 31 80.745 5.507 -11.158 241 HE3 LYS 31 HE1 LYS 31 82.321 5.836 -11.877 242 HZ1 LYS 31 HZ1 LYS 31 80.929 7.070 -13.197 243 HZ2 LYS 31 HZ2 LYS 31 79.655 5.949 -13.111 244 HZ3 LYS 31 HZ3 LYS 31 81.011 5.626 -14.084 245 H GLN 32 HN GLN 32 83.005 -0.580 -12.328 246 HA GLN 32 HA GLN 32 82.461 0.266 -9.635 247 HB2 GLN 32 HB2 GLN 32 80.923 -1.689 -9.081 248 HB3 GLN 32 HB1 GLN 32 80.184 -0.386 -10.014 249 HG2 GLN 32 HG2 GLN 32 80.485 -1.636 -12.083 250 HG3 GLN 32 HG1 GLN 32 81.356 -2.907 -11.224 251 HE21 GLN 32 HE21 GLN 32 78.337 -1.176 -10.293 252 HE22 GLN 32 HE22 GLN 32 77.388 -2.580 -10.190 253 H ARG 33 HN ARG 33 84.129 -1.445 -11.851 254 HA ARG 33 HA ARG 33 84.817 -3.887 -10.562 255 HE ARG 33 HE ARG 33 86.072 -5.021 -15.044 256 HB2 ARG 33 HB2 ARG 33 86.608 -2.130 -12.270 257 HB3 ARG 33 HB1 ARG 33 86.829 -3.850 -11.956 258 HG2 ARG 33 HG2 ARG 33 84.256 -2.848 -13.154 259 HG3 ARG 33 HG1 ARG 33 85.664 -3.130 -14.178 260 HD2 ARG 33 HD2 ARG 33 85.157 -5.324 -12.300 261 HD3 ARG 33 HD1 ARG 33 83.825 -5.056 -13.424 262 HH11 ARG 33 HH21 ARG 33 84.728 -7.134 -12.675 263 HH12 ARG 33 HH22 ARG 33 85.357 -8.572 -13.407 264 HH21 ARG 33 HH11 ARG 33 86.902 -6.887 -16.014 265 HH22 ARG 33 HH12 ARG 33 86.588 -8.432 -15.297 266 H GLN 34 HN GLN 34 87.727 -2.218 -10.849 267 HA GLN 34 HA GLN 34 87.772 -1.461 -7.965 268 HB2 GLN 34 HB2 GLN 34 90.011 -2.558 -7.752 269 HB3 GLN 34 HB1 GLN 34 88.704 -3.707 -8.023 270 HG2 GLN 34 HG2 GLN 34 90.221 -2.588 -10.367 271 HG3 GLN 34 HG1 GLN 34 90.898 -3.927 -9.439 272 HE21 GLN 34 HE21 GLN 34 88.405 -5.253 -8.795 273 HE22 GLN 34 HE22 GLN 34 87.765 -5.878 -10.237 274 H THR 35 HN THR 35 87.656 0.163 -10.380 275 HA THR 35 HA THR 35 90.361 1.197 -10.828 276 HB THR 35 HB THR 35 89.320 2.746 -12.350 277 HG1 THR 35 HG1 THR 35 87.504 3.552 -11.723 278 HG21 THR 35 HG21 THR 35 87.670 0.212 -12.483 279 HG22 THR 35 HG22 THR 35 89.364 0.287 -12.967 280 HG23 THR 35 HG23 THR 35 88.159 1.247 -13.825 281 H ARG 36 HN ARG 36 88.520 3.898 -10.780 282 HA ARG 36 HA ARG 36 88.370 4.496 -7.962 283 HE ARG 36 HE ARG 36 92.429 4.754 -6.792 284 HB2 ARG 36 HB2 ARG 36 90.900 4.438 -8.467 285 HB3 ARG 36 HB1 ARG 36 90.623 5.912 -9.392 286 HG2 ARG 36 HG2 ARG 36 91.116 6.814 -7.309 287 HG3 ARG 36 HG1 ARG 36 89.362 6.674 -7.189 288 HD2 ARG 36 HD2 ARG 36 90.459 5.763 -5.174 289 HD3 ARG 36 HD1 ARG 36 89.607 4.497 -6.057 290 HH11 ARG 36 HH21 ARG 36 90.061 3.368 -4.704 291 HH12 ARG 36 HH22 ARG 36 91.036 1.998 -4.289 292 HH21 ARG 36 HH11 ARG 36 93.716 2.973 -6.262 293 HH22 ARG 36 HH12 ARG 36 93.105 1.774 -5.171 294 H GLN 37 HN GLN 37 86.529 4.842 -9.975 295 HA GLN 37 HA GLN 37 86.667 7.622 -10.938 296 HB2 GLN 37 HB2 GLN 37 84.503 5.508 -11.168 297 HB3 GLN 37 HB1 GLN 37 84.444 7.093 -11.941 298 HG2 GLN 37 HG2 GLN 37 86.705 5.125 -12.370 299 HG3 GLN 37 HG1 GLN 37 85.295 5.223 -13.425 300 HE21 GLN 37 HE21 GLN 37 85.082 7.106 -14.806 301 HE22 GLN 37 HE22 GLN 37 86.350 8.216 -15.011 302 H1U RCY 38 H1U RCY 38 84.093 5.782 -1.858 303 H1S RCY 38 H1S RCY 38 83.882 7.246 -4.560 304 HB1 RCY 38 HB1 RCY 38 84.114 6.839 -7.060 305 HB2 RCY 38 HB2 RCY 38 82.438 6.350 -7.303 306 HA RCY 38 HA RCY 38 82.009 8.110 -8.800 307 HN1 RCY 38 HN1 RCY 38 83.484 7.071 -10.308 308 H LYS 39 HN LYS 39 82.271 10.295 -9.438 309 HA LYS 39 HA LYS 39 84.463 11.887 -8.293 310 HB2 LYS 39 HB2 LYS 39 82.047 12.767 -9.903 311 HB3 LYS 39 HB1 LYS 39 83.471 13.744 -9.546 312 HG2 LYS 39 HG2 LYS 39 84.865 12.003 -10.719 313 HG3 LYS 39 HG1 LYS 39 83.366 11.218 -11.216 314 HD2 LYS 39 HD2 LYS 39 83.789 14.147 -11.761 315 HD3 LYS 39 HD1 LYS 39 84.481 12.935 -12.840 316 HE2 LYS 39 HE2 LYS 39 81.552 13.183 -12.092 317 HE3 LYS 39 HE1 LYS 39 82.264 13.614 -13.647 318 HZ1 LYS 39 HZ1 LYS 39 81.608 11.013 -12.575 319 HZ2 LYS 39 HZ2 LYS 39 83.134 11.099 -13.317 320 HZ3 LYS 39 HZ3 LYS 39 81.738 11.522 -14.189 321 H SER 40 HN SER 40 83.182 14.283 -7.694 322 HA SER 40 HA SER 40 82.269 15.317 -5.785 323 HG SER 40 HG SER 40 79.423 12.953 -5.189 324 HB2 SER 40 HB2 SER 40 79.942 14.940 -5.525 325 HB3 SER 40 HB1 SER 40 80.257 14.570 -7.218 326 H LYS 41 HN LYS 41 84.209 13.812 -4.846 327 HA LYS 41 HA LYS 41 83.181 11.796 -2.955 328 HB2 LYS 41 HB2 LYS 41 85.994 12.834 -3.401 329 HB3 LYS 41 HB1 LYS 41 85.555 11.446 -2.405 330 HG2 LYS 41 HG2 LYS 41 84.834 10.186 -4.283 331 HG3 LYS 41 HG1 LYS 41 84.790 11.612 -5.322 332 HD2 LYS 41 HD2 LYS 41 86.781 10.304 -5.847 333 HD3 LYS 41 HD1 LYS 41 87.268 11.815 -5.078 334 HE2 LYS 41 HE2 LYS 41 87.708 10.744 -3.003 335 HE3 LYS 41 HE1 LYS 41 86.842 9.285 -3.484 336 HZ1 LYS 41 HZ1 LYS 41 88.780 9.658 -5.399 337 HZ2 LYS 41 HZ2 LYS 41 88.781 8.493 -4.162 338 HZ3 LYS 41 HZ3 LYS 41 89.558 9.986 -3.928 339 HA PRO 42 HA PRO 42 82.966 15.198 0.034 340 HB2 PRO 42 HB2 PRO 42 81.479 13.924 1.911 341 HB3 PRO 42 HB1 PRO 42 80.774 14.536 0.402 342 HG2 PRO 42 HG2 PRO 42 81.530 11.756 1.137 343 HG3 PRO 42 HG1 PRO 42 80.145 12.342 0.202 344 HD2 PRO 42 HD2 PRO 42 82.452 11.266 -0.915 345 HD3 PRO 42 HD1 PRO 42 81.321 12.335 -1.773 346 HA PRO 43 HA PRO 43 86.196 14.135 2.878 347 HB2 PRO 43 HB2 PRO 43 85.599 15.726 5.026 348 HB3 PRO 43 HB1 PRO 43 86.254 16.357 3.503 349 HG2 PRO 43 HG2 PRO 43 83.446 16.347 4.488 350 HG3 PRO 43 HG1 PRO 43 84.333 17.606 3.612 351 HD2 PRO 43 HD2 PRO 43 82.544 15.924 2.395 352 HD3 PRO 43 HD1 PRO 43 83.932 16.640 1.547 353 H LYS 44 HN LYS 44 86.456 12.357 4.170 354 HA LYS 44 HA LYS 44 84.378 10.802 5.217 355 HB2 LYS 44 HB2 LYS 44 86.808 10.130 5.008 356 HB3 LYS 44 HB1 LYS 44 87.121 11.051 6.479 357 HG2 LYS 44 HG2 LYS 44 85.460 9.668 7.689 358 HG3 LYS 44 HG1 LYS 44 85.188 8.728 6.222 359 HD2 LYS 44 HD2 LYS 44 86.771 7.411 7.311 360 HD3 LYS 44 HD1 LYS 44 87.804 8.413 6.291 361 HE2 LYS 44 HE2 LYS 44 88.239 9.933 8.140 362 HE3 LYS 44 HE1 LYS 44 87.098 9.064 9.167 363 HZ1 LYS 44 HZ1 LYS 44 89.141 7.408 7.978 364 HZ2 LYS 44 HZ2 LYS 44 88.569 7.453 9.578 365 HZ3 LYS 44 HZ3 LYS 44 89.737 8.573 9.059 366 H LYS 45 HN LYS 45 85.941 13.623 6.612 367 HA LYS 45 HA LYS 45 85.080 13.345 9.301 368 HB2 LYS 45 HB2 LYS 45 86.599 15.159 8.122 369 HB3 LYS 45 HB1 LYS 45 85.080 16.041 7.970 370 HG2 LYS 45 HG2 LYS 45 86.262 14.973 10.553 371 HG3 LYS 45 HG1 LYS 45 86.217 16.665 10.058 372 HD2 LYS 45 HD2 LYS 45 83.660 16.345 9.871 373 HD3 LYS 45 HD1 LYS 45 83.909 14.874 10.812 374 HE2 LYS 45 HE2 LYS 45 85.163 16.310 12.500 375 HE3 LYS 45 HE1 LYS 45 84.558 17.716 11.623 376 HZ1 LYS 45 HZ1 LYS 45 82.395 17.261 12.203 377 HZ2 LYS 45 HZ2 LYS 45 83.221 16.776 13.606 378 HZ3 LYS 45 HZ3 LYS 45 82.689 15.615 12.486 379 H GLY 46 HN GLY 46 82.947 12.600 9.470 380 HA2 GLY 46 HA2 GLY 46 80.868 14.628 9.121 381 HA3 GLY 46 HA1 GLY 46 80.680 13.235 8.055 382 H VAL 47 HN VAL 47 79.071 14.175 10.440 383 HA VAL 47 HA VAL 47 78.938 11.522 11.765 384 HB VAL 47 HB VAL 47 78.889 14.064 13.401 385 HG11 VAL 47 HG11 VAL 47 79.257 11.124 14.047 386 HG12 VAL 47 HG12 VAL 47 77.849 12.114 14.427 387 HG13 VAL 47 HG13 VAL 47 79.389 12.427 15.227 388 HG21 VAL 47 HG21 VAL 47 81.099 13.953 12.385 389 HG22 VAL 47 HG22 VAL 47 81.233 12.240 12.780 390 HG23 VAL 47 HG23 VAL 47 81.229 13.444 14.068 391 H GLN 48 HN GLN 48 76.858 11.276 12.962 392 HA GLN 48 HA GLN 48 74.529 11.499 13.109 393 HB2 GLN 48 HB2 GLN 48 75.354 13.940 13.665 394 HB3 GLN 48 HB1 GLN 48 74.723 14.313 12.061 395 HG2 GLN 48 HG2 GLN 48 72.532 13.386 12.691 396 HG3 GLN 48 HG1 GLN 48 73.156 12.978 14.289 397 HE21 GLN 48 HE21 GLN 48 74.813 15.572 14.236 398 HE22 GLN 48 HE22 GLN 48 73.688 16.787 14.609 399 H GLY 49 HN GLY 49 75.338 13.643 10.354 400 HA2 GLY 49 HA2 GLY 49 75.025 12.150 8.144 401 HA3 GLY 49 HA1 GLY 49 73.355 12.189 8.712 402 H1U RCY 50 H1U RCY 50 76.816 9.030 4.522 403 H1S RCY 50 H1S RCY 50 75.620 12.876 4.395 404 HB1 RCY 50 HB1 RCY 50 74.972 15.467 4.343 405 HB2 RCY 50 HB2 RCY 50 73.308 15.983 4.068 406 HA RCY 50 HA RCY 50 74.467 16.162 6.484 407 HN1 RCY 50 HN1 RCY 50 73.927 13.314 6.258 408 H GLY 51 HN GLY 51 71.545 14.820 4.973 409 HA2 GLY 51 HA2 GLY 51 69.533 15.415 6.726 410 HA3 GLY 51 HA1 GLY 51 69.961 17.011 6.107 411 H ASP 52 HN ASP 52 68.432 13.979 5.356 412 HA ASP 52 HA ASP 52 67.164 15.207 3.008 413 HB2 ASP 52 HB2 ASP 52 68.932 12.754 2.752 414 HB3 ASP 52 HB1 ASP 52 67.830 13.328 1.499 415 H ASP 53 HN ASP 53 65.447 13.718 2.128 416 HA ASP 53 HA ASP 53 64.696 11.411 3.763 417 HB2 ASP 53 HB2 ASP 53 62.527 12.365 4.486 418 HB3 ASP 53 HB1 ASP 53 63.884 13.254 5.179 419 H ILE 54 HN ILE 54 65.190 12.228 0.908 420 HA ILE 54 HA ILE 54 62.578 11.279 -0.213 421 HB ILE 54 HB ILE 54 64.539 13.150 -1.579 422 HG12 ILE 54 HG12 ILE 54 63.197 13.993 0.511 423 HG13 ILE 54 HG11 ILE 54 63.194 14.970 -0.958 424 HG21 ILE 54 HG21 ILE 54 61.814 12.039 -2.265 425 HG22 ILE 54 HG22 ILE 54 63.294 11.968 -3.221 426 HG23 ILE 54 HG23 ILE 54 62.441 13.500 -3.030 427 HD11 ILE 54 HD11 ILE 54 60.911 14.534 0.150 428 HD12 ILE 54 HD12 ILE 54 61.076 12.881 -0.441 429 HD13 ILE 54 HD13 ILE 54 61.029 14.224 -1.582 430 HA PRO 55 HA PRO 55 65.972 8.413 -1.472 431 HB2 PRO 55 HB2 PRO 55 64.890 6.114 -0.553 432 HB3 PRO 55 HB1 PRO 55 65.752 7.238 0.517 433 HG2 PRO 55 HG2 PRO 55 62.835 6.797 0.197 434 HG3 PRO 55 HG1 PRO 55 63.769 7.186 1.650 435 HD2 PRO 55 HD2 PRO 55 62.294 9.024 0.130 436 HD3 PRO 55 HD1 PRO 55 63.552 9.438 1.314 437 H GLY 56 HN GLY 56 66.005 7.338 -3.440 438 HA2 GLY 56 HA2 GLY 56 65.180 6.182 -5.331 439 HA3 GLY 56 HA1 GLY 56 63.618 6.051 -4.523 440 H MET 57 HN MET 57 62.568 8.382 -4.227 441 HA MET 57 HA MET 57 61.761 9.334 -6.716 442 HB2 MET 57 HB2 MET 57 61.739 10.407 -3.953 443 HB3 MET 57 HB1 MET 57 61.584 11.621 -5.222 444 HG2 MET 57 HG2 MET 57 59.894 9.109 -5.095 445 HG3 MET 57 HG1 MET 57 59.384 10.662 -4.433 446 HE1 MET 57 HE1 MET 57 57.578 11.827 -5.842 447 HE2 MET 57 HE2 MET 57 57.346 10.081 -5.859 448 HE3 MET 57 HE3 MET 57 57.128 11.007 -7.342 449 H GLU 58 HN GLU 58 64.334 10.780 -4.673 450 HA GLU 58 HA GLU 58 65.863 11.469 -7.070 451 HB2 GLU 58 HB2 GLU 58 64.128 13.303 -6.865 452 HB3 GLU 58 HB1 GLU 58 64.864 13.732 -5.321 453 HG2 GLU 58 HG2 GLU 58 65.855 15.152 -6.995 454 HG3 GLU 58 HG1 GLU 58 67.070 13.956 -6.543 455 H GLY 59 HN GLY 59 68.032 11.776 -6.559 456 HA2 GLY 59 HA2 GLY 59 69.967 11.658 -5.237 457 HA3 GLY 59 HA1 GLY 59 69.079 12.650 -4.080 458 H1U RCY 60 H1U RCY 60 72.071 12.192 -1.574 459 H1S RCY 60 H1S RCY 60 71.376 9.571 -1.530 460 HB1 RCY 60 HB1 RCY 60 69.938 7.847 -3.494 461 HB2 RCY 60 HB2 RCY 60 70.221 7.139 -1.904 462 HA RCY 60 HA RCY 60 68.766 9.048 -1.607 463 HN1 RCY 60 HN1 RCY 60 70.595 11.033 -2.761 464 H GLY 61 HN GLY 61 70.629 11.516 -1.065 465 HA2 GLY 61 HA2 GLY 61 72.695 10.904 0.698 466 HA3 GLY 61 HA1 GLY 61 71.650 12.310 0.904 467 H THR 62 HN THR 62 69.341 10.238 1.086 468 HA THR 62 HA THR 62 68.935 10.270 3.848 469 HB THR 62 HB THR 62 67.449 8.267 3.469 470 HG1 THR 62 HG1 THR 62 68.993 7.593 1.690 471 HG21 THR 62 HG21 THR 62 65.878 9.459 2.102 472 HG22 THR 62 HG22 THR 62 67.166 10.368 1.311 473 HG23 THR 62 HG23 THR 62 66.787 10.671 3.006 474 H ASP 63 HN ASP 63 70.869 9.781 4.981 475 HA ASP 63 HA ASP 63 72.390 7.375 4.535 476 HB2 ASP 63 HB2 ASP 63 73.167 9.490 5.741 477 HB3 ASP 63 HB1 ASP 63 72.241 8.922 7.131 478 H ILE 64 HN ILE 64 69.295 7.506 5.378 479 HA ILE 64 HA ILE 64 69.490 5.028 7.026 480 HB ILE 64 HB ILE 64 67.690 7.390 7.649 481 HG12 ILE 64 HG12 ILE 64 69.902 6.130 9.299 482 HG13 ILE 64 HG11 ILE 64 70.108 7.594 8.336 483 HG21 ILE 64 HG21 ILE 64 67.905 4.600 8.802 484 HG22 ILE 64 HG22 ILE 64 66.478 5.379 8.118 485 HG23 ILE 64 HG23 ILE 64 67.128 5.929 9.662 486 HD11 ILE 64 HD11 ILE 64 69.587 8.078 10.733 487 HD12 ILE 64 HD12 ILE 64 68.038 7.261 10.527 488 HD13 ILE 64 HD13 ILE 64 68.384 8.737 9.625 489 H THR 65 HN THR 65 67.445 7.206 5.106 490 HA THR 65 HA THR 65 65.509 6.745 3.848 491 HB THR 65 HB THR 65 67.111 4.201 3.407 492 HG1 THR 65 HG1 THR 65 67.259 5.563 1.306 493 HG21 THR 65 HG21 THR 65 64.482 5.106 2.425 494 HG22 THR 65 HG22 THR 65 65.170 3.483 2.470 495 HG23 THR 65 HG23 THR 65 65.595 4.584 1.160 496 H VAL 66 HN VAL 66 64.942 6.437 6.442 497 HA VAL 66 HA VAL 66 63.415 5.408 7.891 498 HB VAL 66 HB VAL 66 62.716 3.505 5.647 499 HG11 VAL 66 HG11 VAL 66 61.779 3.303 8.023 500 HG12 VAL 66 HG12 VAL 66 60.590 3.406 6.724 501 HG13 VAL 66 HG13 VAL 66 60.943 4.824 7.711 502 HG21 VAL 66 HG21 VAL 66 62.592 5.584 4.527 503 HG22 VAL 66 HG22 VAL 66 62.038 6.428 5.974 504 HG23 VAL 66 HG23 VAL 66 60.951 5.333 5.121 505 H ILE 67 HN ILE 67 64.550 2.773 5.771 506 HA ILE 67 HA ILE 67 65.952 1.567 8.109 507 HB ILE 67 HB ILE 67 64.018 0.168 6.235 508 HG12 ILE 67 HG12 ILE 67 63.029 1.325 8.195 509 HG13 ILE 67 HG11 ILE 67 62.878 -0.427 8.335 510 HG21 ILE 67 HG21 ILE 67 65.800 -1.368 6.435 511 HG22 ILE 67 HG22 ILE 67 64.694 -1.846 7.722 512 HG23 ILE 67 HG23 ILE 67 66.132 -0.899 8.103 513 HD11 ILE 67 HD11 ILE 67 63.745 -0.032 10.420 514 HD12 ILE 67 HD12 ILE 67 64.536 1.463 9.921 515 HD13 ILE 67 HD13 ILE 67 65.272 -0.093 9.539 516 H1U RCY 68 H1U RCY 68 73.725 5.549 0.404 517 H1S RCY 68 H1S RCY 68 71.671 2.752 3.746 518 HB1 RCY 68 HB1 RCY 68 71.012 1.926 5.493 519 HB2 RCY 68 HB2 RCY 68 70.019 2.718 6.716 520 HA RCY 68 HA RCY 68 68.567 1.562 4.391 521 HN1 RCY 68 HN1 RCY 68 67.958 2.193 7.163 522 HA PRO 69 HA PRO 69 69.802 -2.645 4.805 523 HB2 PRO 69 HB2 PRO 69 71.966 -2.757 3.101 524 HB3 PRO 69 HB1 PRO 69 70.279 -2.708 2.555 525 HG2 PRO 69 HG2 PRO 69 72.278 -0.512 2.706 526 HG3 PRO 69 HG1 PRO 69 71.051 -0.841 1.472 527 HD2 PRO 69 HD2 PRO 69 70.726 1.080 3.383 528 HD3 PRO 69 HD1 PRO 69 69.359 0.184 2.684 529 H TRP 70 HN TRP 70 71.808 -0.145 5.896 530 HA TRP 70 HA TRP 70 74.212 -1.519 6.549 531 HD1 TRP 70 HD1 TRP 70 76.060 -1.268 7.941 532 HE1 TRP 70 HE1 TRP 70 77.203 -0.928 10.225 533 HE3 TRP 70 HE3 TRP 70 72.890 2.157 10.012 534 HZ2 TRP 70 HZ2 TRP 70 76.824 0.598 12.619 535 HZ3 TRP 70 HZ3 TRP 70 73.302 3.036 12.289 536 HH2 TRP 70 HH2 TRP 70 75.261 2.264 13.595 537 HB2 TRP 70 HB2 TRP 70 74.145 0.874 6.784 538 HB3 TRP 70 HB1 TRP 70 72.790 0.785 7.909 539 H GLU 71 HN GLU 71 71.038 -1.929 7.741 540 HA GLU 71 HA GLU 71 72.096 -3.522 10.051 541 HB2 GLU 71 HB2 GLU 71 69.635 -1.785 9.824 542 HB3 GLU 71 HB1 GLU 71 69.759 -3.055 11.042 543 HG2 GLU 71 HG2 GLU 71 71.874 -2.034 11.858 544 HG3 GLU 71 HG1 GLU 71 71.678 -0.733 10.683 545 H ALA 72 HN ALA 72 69.760 -3.295 7.417 546 HA ALA 72 HA ALA 72 68.522 -5.865 8.018 547 HB1 ALA 72 HB1 ALA 72 68.451 -4.475 5.339 548 HB2 ALA 72 HB2 ALA 72 67.497 -3.890 6.702 549 HB3 ALA 72 HB3 ALA 72 67.226 -5.513 6.069 550 H1U RCY 73 H1U RCY 73 79.076 -3.586 1.848 551 H1S RCY 73 H1S RCY 73 75.082 -4.900 3.895 552 HB1 RCY 73 HB1 RCY 73 73.368 -4.952 4.763 553 HB2 RCY 73 HB2 RCY 73 72.118 -5.146 3.534 554 HA RCY 73 HA RCY 73 71.441 -7.290 4.595 555 HN1 RCY 73 HN1 RCY 73 71.156 -4.723 5.966 556 H ASN 74 HN ASN 74 73.107 -5.581 7.235 557 HA ASN 74 HA ASN 74 73.805 -7.963 8.621 558 HB2 ASN 74 HB2 ASN 74 76.363 -7.732 8.148 559 HB3 ASN 74 HB1 ASN 74 75.364 -8.586 6.972 560 HD21 ASN 74 HD21 ASN 74 76.113 -5.104 7.618 561 HD22 ASN 74 HD22 ASN 74 76.464 -4.735 5.998 562 H HIS 75 HN HIS 75 76.149 -7.216 9.891 563 HA HIS 75 HA HIS 75 75.529 -4.479 10.945 564 HD1 HIS 75 HD1 HIS 75 75.839 -8.526 11.182 565 HD2 HIS 75 HD2 HIS 75 78.266 -6.765 14.082 566 HE1 HIS 75 HE1 HIS 75 77.568 -10.263 11.819 567 HE2 HIS 75 HE2 HIS 75 79.052 -9.204 13.584 568 HB2 HIS 75 HB2 HIS 75 76.121 -5.277 13.178 569 HB3 HIS 75 HB1 HIS 75 74.838 -6.290 12.517 570 H1U RCY 76 H1U RCY 76 82.975 -1.991 3.530 571 H1S RCY 76 H1S RCY 76 80.075 -0.595 7.039 572 HB1 RCY 76 HB1 RCY 76 79.387 -4.465 8.758 573 HB2 RCY 76 HB2 RCY 76 80.820 -3.484 9.064 574 HA RCY 76 HA RCY 76 79.988 -4.129 11.215 575 HN1 RCY 76 HN1 RCY 76 77.257 -3.116 10.902 576 H GLU 77 HN GLU 77 81.044 -2.599 12.378 577 HA GLU 77 HA GLU 77 79.852 -0.002 12.853 578 HB2 GLU 77 HB2 GLU 77 82.668 -0.915 13.517 579 HB3 GLU 77 HB1 GLU 77 81.781 0.413 14.266 580 HG2 GLU 77 HG2 GLU 77 81.513 -1.364 15.797 581 HG3 GLU 77 HG1 GLU 77 80.011 -1.383 14.871 582 H LEU 78 HN LEU 78 82.647 1.261 12.834 583 HA LEU 78 HA LEU 78 82.408 2.436 10.178 584 HG LEU 78 HG LEU 78 82.356 4.621 11.051 585 HB2 LEU 78 HB2 LEU 78 84.313 2.803 12.492 586 HB3 LEU 78 HB1 LEU 78 84.607 3.584 10.938 587 HD11 LEU 78 HD11 LEU 78 81.288 4.528 13.405 588 HD12 LEU 78 HD12 LEU 78 82.285 3.095 13.655 589 HD13 LEU 78 HD13 LEU 78 81.083 3.119 12.364 590 HD21 LEU 78 HD21 LEU 78 82.861 6.150 12.992 591 HD22 LEU 78 HD22 LEU 78 84.222 5.919 11.894 592 HD23 LEU 78 HD23 LEU 78 84.177 5.064 13.436 593 H HIS 79 HN HIS 79 82.709 0.191 9.160 594 HA HIS 79 HA HIS 79 85.586 -0.585 8.988 595 HD1 HIS 79 HD1 HIS 79 84.154 -0.902 11.078 596 HD2 HIS 79 HD2 HIS 79 84.433 -4.800 9.619 597 HE1 HIS 79 HE1 HIS 79 84.457 -2.402 13.097 598 HE2 HIS 79 HE2 HIS 79 84.629 -4.777 12.223 599 HB2 HIS 79 HB2 HIS 79 83.022 -2.010 8.241 600 HB3 HIS 79 HB1 HIS 79 84.616 -2.609 7.779 601 H GLU 80 HN GLU 80 86.465 -1.014 6.817 602 HA GLU 80 HA GLU 80 85.011 0.310 4.581 603 HB2 GLU 80 HB2 GLU 80 87.907 0.905 5.265 604 HB3 GLU 80 HB1 GLU 80 86.959 1.623 3.963 605 HG2 GLU 80 HG2 GLU 80 86.880 3.246 5.682 606 HG3 GLU 80 HG1 GLU 80 85.341 2.396 5.829 607 H LEU 81 HN LEU 81 88.128 -1.280 5.369 608 HA LEU 81 HA LEU 81 88.083 -2.634 2.746 609 HG LEU 81 HG LEU 81 89.904 -0.671 4.733 610 HB2 LEU 81 HB2 LEU 81 90.112 -3.094 4.934 611 HB3 LEU 81 HB1 LEU 81 90.322 -3.246 3.189 612 HD11 LEU 81 HD11 LEU 81 92.164 -0.150 4.082 613 HD12 LEU 81 HD12 LEU 81 92.249 -1.569 3.039 614 HD13 LEU 81 HD13 LEU 81 92.190 -1.765 4.790 615 HD21 LEU 81 HD21 LEU 81 88.773 -0.401 2.649 616 HD22 LEU 81 HD22 LEU 81 90.024 -1.283 1.773 617 HD23 LEU 81 HD23 LEU 81 90.363 0.325 2.412 618 H ALA 82 HN ALA 82 87.628 -3.387 6.163 619 HA ALA 82 HA ALA 82 87.689 -6.242 5.914 620 HB1 ALA 82 HB1 ALA 82 86.252 -6.132 8.034 621 HB2 ALA 82 HB2 ALA 82 86.364 -4.378 7.891 622 HB3 ALA 82 HB3 ALA 82 87.825 -5.339 8.117 623 H GLN 83 HN GLN 83 85.386 -7.336 6.710 624 HA GLN 83 HA GLN 83 83.309 -8.079 5.930 625 HB2 GLN 83 HB2 GLN 83 83.004 -5.141 5.231 626 HB3 GLN 83 HB1 GLN 83 81.694 -6.319 5.269 627 HG2 GLN 83 HG2 GLN 83 83.469 -5.838 7.665 628 HG3 GLN 83 HG1 GLN 83 82.013 -4.884 7.378 629 HE21 GLN 83 HE21 GLN 83 80.003 -6.425 6.799 630 HE22 GLN 83 HE22 GLN 83 79.831 -7.776 7.812 631 H TYR 84 HN TYR 84 82.525 -8.988 4.036 632 HA TYR 84 HA TYR 84 82.655 -9.687 1.795 633 HD1 TYR 84 HD2 TYR 84 80.297 -9.207 0.655 634 HD2 TYR 84 HD1 TYR 84 81.470 -5.706 2.850 635 HE1 TYR 84 HE2 TYR 84 77.972 -8.943 1.477 636 HE2 TYR 84 HE1 TYR 84 79.145 -5.442 3.672 637 HH TYR 84 HH TYR 84 77.054 -6.183 3.536 638 HB2 TYR 84 HB2 TYR 84 82.987 -6.707 1.332 639 HB3 TYR 84 HB1 TYR 84 82.433 -7.894 0.151 640 H GLY 85 HN GLY 85 84.640 -6.918 1.033 641 HA2 GLY 85 HA2 GLY 85 87.230 -7.724 1.499 642 HA3 GLY 85 HA1 GLY 85 86.772 -8.658 0.072 643 H ILE 86 HN ILE 86 88.732 -6.437 0.315 644 HA ILE 86 HA ILE 86 87.962 -3.955 -0.609 645 HB ILE 86 HB ILE 86 90.104 -3.882 -1.883 646 HG12 ILE 86 HG12 ILE 86 91.317 -6.299 -1.245 647 HG13 ILE 86 HG11 ILE 86 89.700 -6.782 -1.759 648 HG21 ILE 86 HG21 ILE 86 91.535 -4.184 0.029 649 HG22 ILE 86 HG22 ILE 86 90.425 -5.351 0.747 650 HG23 ILE 86 HG23 ILE 86 89.969 -3.650 0.639 651 HD11 ILE 86 HD11 ILE 86 89.980 -5.422 -3.825 652 HD12 ILE 86 HD12 ILE 86 91.190 -6.700 -3.700 653 HD13 ILE 86 HD13 ILE 86 91.625 -5.033 -3.321 654 H1U RCY 87 H1U RCY 87 81.480 -0.989 -2.261 655 H1S RCY 87 H1S RCY 87 85.860 -0.519 -2.423 656 HB1 RCY 87 HB1 RCY 87 84.788 -2.730 -3.817 657 HB2 RCY 87 HB2 RCY 87 85.187 -2.824 -5.532 658 HA RCY 87 HA RCY 87 85.733 -4.927 -4.302 659 HN1 RCY 87 HN1 RCY 87 86.946 -3.175 -2.395 Start of MODEL 3 1 HA MET 1 HA MET 1 72.919 4.758 20.776 2 HB2 MET 1 HB2 MET 1 73.146 7.179 21.229 3 HB3 MET 1 HB1 MET 1 71.559 6.586 21.717 4 HG2 MET 1 HG2 MET 1 72.619 6.248 24.052 5 HG3 MET 1 HG1 MET 1 73.914 7.291 23.466 6 HE1 MET 1 HE1 MET 1 73.486 9.563 25.068 7 HE2 MET 1 HE2 MET 1 72.918 8.060 25.790 8 HE3 MET 1 HE3 MET 1 71.905 9.501 25.858 9 H ASN 2 HN ASN 2 74.338 5.273 24.012 10 HA ASN 2 HA ASN 2 77.022 5.588 22.850 11 HB2 ASN 2 HB2 ASN 2 75.988 5.506 25.695 12 HB3 ASN 2 HB1 ASN 2 77.700 5.659 25.298 13 HD21 ASN 2 HD21 ASN 2 78.045 7.505 23.485 14 HD22 ASN 2 HD22 ASN 2 77.219 8.955 23.795 15 H LEU 3 HN LEU 3 75.383 3.236 24.986 16 HA LEU 3 HA LEU 3 77.453 1.402 25.319 17 HG LEU 3 HG LEU 3 73.300 0.482 25.273 18 HB2 LEU 3 HB2 LEU 3 75.541 -0.376 25.233 19 HB3 LEU 3 HB1 LEU 3 75.513 0.842 26.501 20 HD11 LEU 3 HD11 LEU 3 73.856 3.290 24.716 21 HD12 LEU 3 HD12 LEU 3 74.512 2.790 26.274 22 HD13 LEU 3 HD13 LEU 3 72.795 2.582 25.933 23 HD21 LEU 3 HD21 LEU 3 74.677 2.065 23.090 24 HD22 LEU 3 HD22 LEU 3 73.063 1.355 23.054 25 HD23 LEU 3 HD23 LEU 3 74.486 0.314 23.016 26 H GLU 4 HN GLU 4 77.289 -0.935 24.183 27 HA GLU 4 HA GLU 4 78.061 -0.455 21.417 28 HB2 GLU 4 HB2 GLU 4 77.804 -2.973 23.081 29 HB3 GLU 4 HB1 GLU 4 78.352 -2.978 21.405 30 HG2 GLU 4 HG2 GLU 4 80.319 -2.911 22.796 31 HG3 GLU 4 HG1 GLU 4 80.132 -1.311 22.077 32 HA PRO 5 HA PRO 5 74.337 -0.975 19.100 33 HB2 PRO 5 HB2 PRO 5 75.713 -3.385 17.954 34 HB3 PRO 5 HB1 PRO 5 74.836 -2.088 17.118 35 HG2 PRO 5 HG2 PRO 5 77.516 -2.164 17.236 36 HG3 PRO 5 HG1 PRO 5 76.607 -0.645 17.213 37 HD2 PRO 5 HD2 PRO 5 78.145 -1.845 19.420 38 HD3 PRO 5 HD1 PRO 5 77.568 -0.176 19.231 39 HA PRO 6 HA PRO 6 72.763 -4.369 21.750 40 HB2 PRO 6 HB2 PRO 6 70.420 -3.197 22.442 41 HB3 PRO 6 HB1 PRO 6 71.959 -2.755 23.206 42 HG2 PRO 6 HG2 PRO 6 70.399 -1.317 21.134 43 HG3 PRO 6 HG1 PRO 6 71.381 -0.676 22.460 44 HD2 PRO 6 HD2 PRO 6 72.196 -0.860 19.784 45 HD3 PRO 6 HD1 PRO 6 73.275 -0.633 21.177 46 H LYS 7 HN LYS 7 71.200 -5.993 21.316 47 HA LYS 7 HA LYS 7 70.297 -6.244 18.615 48 HB2 LYS 7 HB2 LYS 7 69.227 -7.696 21.053 49 HB3 LYS 7 HB1 LYS 7 69.128 -8.235 19.376 50 HG2 LYS 7 HG2 LYS 7 71.670 -8.169 19.327 51 HG3 LYS 7 HG1 LYS 7 71.614 -7.945 21.076 52 HD2 LYS 7 HD2 LYS 7 70.165 -10.043 21.167 53 HD3 LYS 7 HD1 LYS 7 70.606 -10.308 19.479 54 HE2 LYS 7 HE2 LYS 7 73.024 -10.188 20.168 55 HE3 LYS 7 HE1 LYS 7 72.489 -10.138 21.847 56 HZ1 LYS 7 HZ1 LYS 7 72.130 -12.319 19.879 57 HZ2 LYS 7 HZ2 LYS 7 71.228 -12.239 21.317 58 HZ3 LYS 7 HZ3 LYS 7 72.920 -12.380 21.380 59 H ALA 8 HN ALA 8 69.237 -4.025 18.550 60 HA ALA 8 HA ALA 8 66.616 -3.844 19.893 61 HB1 ALA 8 HB1 ALA 8 66.488 -1.627 18.811 62 HB2 ALA 8 HB2 ALA 8 67.966 -1.979 17.916 63 HB3 ALA 8 HB3 ALA 8 68.015 -1.819 19.671 64 H GLU 9 HN GLU 9 67.889 -4.045 16.570 65 HA GLU 9 HA GLU 9 66.850 -4.693 14.576 66 HB2 GLU 9 HB2 GLU 9 65.050 -6.209 16.492 67 HB3 GLU 9 HB1 GLU 9 65.199 -6.509 14.760 68 HG2 GLU 9 HG2 GLU 9 67.724 -6.808 15.223 69 HG3 GLU 9 HG1 GLU 9 67.261 -6.944 16.920 70 H1U RCY 10 H1U RCY 10 58.354 -3.798 10.497 71 H1S RCY 10 H1S RCY 10 59.713 -2.885 14.641 72 HB1 RCY 10 HB1 RCY 10 61.514 -1.914 16.444 73 HB2 RCY 10 HB2 RCY 10 62.457 -3.192 17.205 74 HA RCY 10 HA RCY 10 63.509 -1.710 14.796 75 HN1 RCY 10 HN1 RCY 10 65.304 -2.774 16.839 76 H ARG 11 HN ARG 11 65.743 -0.739 16.425 77 HA ARG 11 HA ARG 11 65.059 0.778 18.666 78 HE ARG 11 HE ARG 11 67.965 2.410 13.705 79 HB2 ARG 11 HB2 ARG 11 66.850 2.350 17.977 80 HB3 ARG 11 HB1 ARG 11 67.352 0.670 17.789 81 HG2 ARG 11 HG2 ARG 11 66.521 0.871 15.361 82 HG3 ARG 11 HG1 ARG 11 66.498 2.612 15.640 83 HD2 ARG 11 HD2 ARG 11 68.902 2.458 16.365 84 HD3 ARG 11 HD1 ARG 11 68.890 0.766 15.867 85 HH11 ARG 11 HH21 ARG 11 70.757 1.553 15.538 86 HH12 ARG 11 HH22 ARG 11 71.864 1.846 14.238 87 HH21 ARG 11 HH11 ARG 11 69.395 2.797 11.997 88 HH22 ARG 11 HH12 ARG 11 71.093 2.550 12.234 89 H SER 12 HN SER 12 63.841 1.095 15.486 90 HA SER 12 HA SER 12 62.513 2.743 14.454 91 HG SER 12 HG SER 12 60.029 1.620 16.623 92 HB2 SER 12 HB2 SER 12 61.647 3.242 17.314 93 HB3 SER 12 HB1 SER 12 60.719 3.574 15.854 94 H ALA 13 HN ALA 13 61.612 5.227 15.678 95 HA ALA 13 HA ALA 13 62.350 7.425 16.057 96 HB1 ALA 13 HB1 ALA 13 63.956 6.039 17.673 97 HB2 ALA 13 HB2 ALA 13 64.239 7.750 17.357 98 HB3 ALA 13 HB3 ALA 13 65.172 6.528 16.492 99 H THR 14 HN THR 14 64.574 5.350 14.215 100 HA THR 14 HA THR 14 65.625 5.707 12.155 101 HB THR 14 HB THR 14 64.406 6.860 10.524 102 HG1 THR 14 HG1 THR 14 62.877 8.489 12.050 103 HG21 THR 14 HG21 THR 14 63.022 5.212 12.051 104 HG22 THR 14 HG22 THR 14 62.204 6.178 10.822 105 HG23 THR 14 HG23 THR 14 62.168 6.685 12.510 106 H ARG 15 HN ARG 15 65.997 7.520 14.725 107 HA ARG 15 HA ARG 15 67.487 9.732 13.410 108 HE ARG 15 HE ARG 15 65.941 12.546 14.642 109 HB2 ARG 15 HB2 ARG 15 65.894 10.287 15.252 110 HB3 ARG 15 HB1 ARG 15 66.868 9.311 16.349 111 HG2 ARG 15 HG2 ARG 15 68.678 10.794 16.276 112 HG3 ARG 15 HG1 ARG 15 68.166 11.494 14.739 113 HD2 ARG 15 HD2 ARG 15 66.472 11.779 17.218 114 HD3 ARG 15 HD1 ARG 15 67.792 12.900 16.882 115 HH11 ARG 15 HH21 ARG 15 66.735 14.219 17.550 116 HH12 ARG 15 HH22 ARG 15 65.834 15.639 17.136 117 HH21 ARG 15 HH11 ARG 15 64.760 14.391 14.085 118 HH22 ARG 15 HH12 ARG 15 64.716 15.737 15.174 119 H VAL 16 HN VAL 16 68.573 8.931 16.538 120 HA VAL 16 HA VAL 16 70.646 8.125 17.286 121 HB VAL 16 HB VAL 16 70.539 6.236 14.930 122 HG11 VAL 16 HG11 VAL 16 71.491 4.690 16.680 123 HG12 VAL 16 HG12 VAL 16 71.567 6.069 17.776 124 HG13 VAL 16 HG13 VAL 16 72.528 6.064 16.297 125 HG21 VAL 16 HG21 VAL 16 68.899 6.228 17.475 126 HG22 VAL 16 HG22 VAL 16 69.172 4.772 16.518 127 HG23 VAL 16 HG23 VAL 16 68.314 6.142 15.813 128 H MET 17 HN MET 17 72.991 7.792 16.536 129 HA MET 17 HA MET 17 74.864 8.676 15.441 130 HB2 MET 17 HB2 MET 17 73.089 8.920 13.004 131 HB3 MET 17 HB1 MET 17 74.833 8.661 13.058 132 HG2 MET 17 HG2 MET 17 74.395 6.457 14.197 133 HG3 MET 17 HG1 MET 17 72.674 6.709 13.902 134 HE1 MET 17 HE1 MET 17 73.284 4.201 12.902 135 HE2 MET 17 HE2 MET 17 72.913 4.191 11.180 136 HE3 MET 17 HE3 MET 17 71.856 5.049 12.297 137 H GLY 18 HN GLY 18 72.359 10.442 13.616 138 HA2 GLY 18 HA2 GLY 18 72.848 12.894 15.150 139 HA3 GLY 18 HA1 GLY 18 73.488 12.929 13.506 140 H GLY 19 HN GLY 19 71.092 14.265 14.968 141 HA2 GLY 19 HA2 GLY 19 68.810 13.293 13.388 142 HA3 GLY 19 HA1 GLY 19 68.779 14.630 14.538 143 HA PRO 20 HA PRO 20 69.256 17.923 11.660 144 HB2 PRO 20 HB2 PRO 20 72.205 18.059 12.201 145 HB3 PRO 20 HB1 PRO 20 71.003 19.364 12.181 146 HG2 PRO 20 HG2 PRO 20 71.926 18.345 14.465 147 HG3 PRO 20 HG1 PRO 20 70.247 18.882 14.293 148 HD2 PRO 20 HD2 PRO 20 71.318 16.117 14.485 149 HD3 PRO 20 HD1 PRO 20 69.702 16.733 14.895 150 H1U RCY 21 H1U RCY 21 66.033 11.062 5.100 151 H1S RCY 21 H1S RCY 21 70.711 11.539 6.032 152 HB1 RCY 21 HB1 RCY 21 69.282 13.927 8.510 153 HB2 RCY 21 HB2 RCY 21 70.867 13.952 9.283 154 HA RCY 21 HA RCY 21 71.314 16.146 8.136 155 HN1 RCY 21 HN1 RCY 21 68.901 16.369 9.874 156 H THR 22 HN THR 22 70.860 17.084 6.207 157 HA THR 22 HA THR 22 68.119 16.815 5.082 158 HB THR 22 HB THR 22 68.199 19.263 4.457 159 HG1 THR 22 HG1 THR 22 70.102 20.083 4.795 160 HG21 THR 22 HG21 THR 22 68.224 18.608 7.418 161 HG22 THR 22 HG22 THR 22 66.838 18.432 6.342 162 HG23 THR 22 HG23 THR 22 67.490 20.034 6.686 163 HA PRO 23 HA PRO 23 71.242 15.687 1.893 164 HB2 PRO 23 HB2 PRO 23 68.667 15.073 0.499 165 HB3 PRO 23 HB1 PRO 23 70.138 14.090 0.635 166 HG2 PRO 23 HG2 PRO 23 67.959 13.539 2.063 167 HG3 PRO 23 HG1 PRO 23 69.585 13.319 2.731 168 HD2 PRO 23 HD2 PRO 23 67.577 15.452 3.328 169 HD3 PRO 23 HD1 PRO 23 68.811 14.734 4.388 170 H ARG 24 HN ARG 24 72.026 17.070 0.344 171 HA ARG 24 HA ARG 24 70.274 18.625 -1.376 172 HE ARG 24 HE ARG 24 69.128 21.560 1.233 173 HB2 ARG 24 HB2 ARG 24 70.339 19.875 0.883 174 HB3 ARG 24 HB1 ARG 24 72.019 20.236 0.492 175 HG2 ARG 24 HG2 ARG 24 70.960 22.088 -0.434 176 HG3 ARG 24 HG1 ARG 24 70.988 21.000 -1.822 177 HD2 ARG 24 HD2 ARG 24 68.746 21.993 -1.522 178 HD3 ARG 24 HD1 ARG 24 68.703 20.246 -1.287 179 HH11 ARG 24 HH21 ARG 24 66.791 20.936 -1.223 180 HH12 ARG 24 HH22 ARG 24 65.439 21.016 -0.144 181 HH21 ARG 24 HH11 ARG 24 67.376 21.669 2.657 182 HH22 ARG 24 HH12 ARG 24 65.770 21.431 2.053 183 H LYS 25 HN LYS 25 72.381 16.751 -1.798 184 HA LYS 25 HA LYS 25 74.938 17.818 -2.264 185 HB2 LYS 25 HB2 LYS 25 73.553 15.896 -4.148 186 HB3 LYS 25 HB1 LYS 25 75.278 16.007 -3.793 187 HG2 LYS 25 HG2 LYS 25 74.753 15.401 -1.407 188 HG3 LYS 25 HG1 LYS 25 73.085 15.110 -1.904 189 HD2 LYS 25 HD2 LYS 25 75.534 13.702 -3.009 190 HD3 LYS 25 HD1 LYS 25 74.355 13.003 -1.898 191 HE2 LYS 25 HE2 LYS 25 74.020 13.731 -4.797 192 HE3 LYS 25 HE1 LYS 25 73.588 12.233 -3.971 193 HZ1 LYS 25 HZ1 LYS 25 72.039 13.884 -2.654 194 HZ2 LYS 25 HZ2 LYS 25 71.550 13.184 -4.123 195 HZ3 LYS 25 HZ3 LYS 25 72.148 14.774 -4.094 196 H GLY 26 HN GLY 26 72.541 17.362 -4.887 197 HA2 GLY 26 HA2 GLY 26 72.257 19.922 -5.847 198 HA3 GLY 26 HA1 GLY 26 73.838 19.448 -6.471 199 HA PRO 27 HA PRO 27 70.060 18.140 -9.209 200 HB2 PRO 27 HB2 PRO 27 71.995 19.383 -11.132 201 HB3 PRO 27 HB1 PRO 27 70.221 19.436 -11.129 202 HG2 PRO 27 HG2 PRO 27 71.696 21.507 -10.310 203 HG3 PRO 27 HG1 PRO 27 70.138 21.110 -9.568 204 HD2 PRO 27 HD2 PRO 27 72.873 20.791 -8.460 205 HD3 PRO 27 HD1 PRO 27 71.322 20.955 -7.608 206 HA PRO 28 HA PRO 28 71.792 14.251 -10.428 207 HB2 PRO 28 HB2 PRO 28 71.090 15.051 -13.237 208 HB3 PRO 28 HB1 PRO 28 70.770 13.524 -12.390 209 HG2 PRO 28 HG2 PRO 28 68.870 15.372 -12.727 210 HG3 PRO 28 HG1 PRO 28 68.956 14.372 -11.268 211 HD2 PRO 28 HD2 PRO 28 69.543 17.258 -11.588 212 HD3 PRO 28 HD1 PRO 28 69.115 16.351 -10.121 213 H LYS 29 HN LYS 29 73.832 13.525 -11.051 214 HA LYS 29 HA LYS 29 75.405 14.845 -13.101 215 HB2 LYS 29 HB2 LYS 29 75.647 16.490 -11.262 216 HB3 LYS 29 HB1 LYS 29 76.242 15.210 -10.206 217 HG2 LYS 29 HG2 LYS 29 78.132 16.457 -11.150 218 HG3 LYS 29 HG1 LYS 29 78.122 14.810 -11.782 219 HD2 LYS 29 HD2 LYS 29 77.465 15.477 -13.900 220 HD3 LYS 29 HD1 LYS 29 76.644 16.921 -13.305 221 HE2 LYS 29 HE2 LYS 29 79.643 16.623 -13.127 222 HE3 LYS 29 HE1 LYS 29 78.863 17.278 -14.566 223 HZ1 LYS 29 HZ1 LYS 29 77.969 18.396 -12.047 224 HZ2 LYS 29 HZ2 LYS 29 78.319 19.169 -13.520 225 HZ3 LYS 29 HZ3 LYS 29 79.577 18.748 -12.458 226 H1U RCY 30 H1U RCY 30 74.718 9.117 -4.465 227 H1S RCY 30 H1S RCY 30 76.658 7.087 -8.252 228 HB1 RCY 30 HB1 RCY 30 74.764 10.274 -10.041 229 HB2 RCY 30 HB2 RCY 30 76.040 10.565 -8.860 230 HA RCY 30 HA RCY 30 77.590 11.213 -10.546 231 HN1 RCY 30 HN1 RCY 30 75.221 12.653 -10.353 232 H LYS 31 HN LYS 31 74.665 9.891 -12.075 233 HA LYS 31 HA LYS 31 74.447 8.619 -14.040 234 HB2 LYS 31 HB2 LYS 31 76.486 10.673 -14.942 235 HB3 LYS 31 HB1 LYS 31 75.588 9.607 -16.024 236 HG2 LYS 31 HG2 LYS 31 73.525 10.633 -15.521 237 HG3 LYS 31 HG1 LYS 31 74.151 11.373 -14.047 238 HD2 LYS 31 HD2 LYS 31 75.428 12.968 -15.262 239 HD3 LYS 31 HD1 LYS 31 75.239 12.081 -16.775 240 HE2 LYS 31 HE2 LYS 31 72.903 13.274 -15.265 241 HE3 LYS 31 HE1 LYS 31 73.761 14.134 -16.544 242 HZ1 LYS 31 HZ1 LYS 31 72.494 11.468 -16.862 243 HZ2 LYS 31 HZ2 LYS 31 73.218 12.399 -18.085 244 HZ3 LYS 31 HZ3 LYS 31 71.786 12.932 -17.342 245 H GLN 32 HN GLN 32 77.579 9.217 -15.249 246 HA GLN 32 HA GLN 32 79.500 7.876 -15.410 247 HB2 GLN 32 HB2 GLN 32 79.032 7.790 -12.808 248 HB3 GLN 32 HB1 GLN 32 78.539 6.134 -13.157 249 HG2 GLN 32 HG2 GLN 32 80.765 5.906 -14.417 250 HG3 GLN 32 HG1 GLN 32 81.236 7.412 -13.627 251 HE21 GLN 32 HE21 GLN 32 82.763 6.585 -12.116 252 HE22 GLN 32 HE22 GLN 32 82.365 5.460 -10.909 253 H ARG 33 HN ARG 33 79.423 6.617 -17.204 254 HA ARG 33 HA ARG 33 78.096 3.987 -17.045 255 HE ARG 33 HE ARG 33 75.431 8.947 -19.734 256 HB2 ARG 33 HB2 ARG 33 77.028 4.487 -19.355 257 HB3 ARG 33 HB1 ARG 33 76.240 5.155 -17.926 258 HG2 ARG 33 HG2 ARG 33 77.330 7.309 -18.282 259 HG3 ARG 33 HG1 ARG 33 78.231 6.656 -19.651 260 HD2 ARG 33 HD2 ARG 33 76.284 6.441 -20.979 261 HD3 ARG 33 HD1 ARG 33 75.215 6.593 -19.584 262 HH11 ARG 33 HH21 ARG 33 77.776 7.272 -21.627 263 HH12 ARG 33 HH22 ARG 33 78.347 8.700 -22.424 264 HH21 ARG 33 HH11 ARG 33 76.164 10.821 -20.764 265 HH22 ARG 33 HH12 ARG 33 77.435 10.709 -21.935 266 H GLN 34 HN GLN 34 80.839 4.677 -17.160 267 HA GLN 34 HA GLN 34 81.716 4.372 -19.952 268 HB2 GLN 34 HB2 GLN 34 82.913 5.707 -18.067 269 HB3 GLN 34 HB1 GLN 34 83.495 4.133 -17.525 270 HG2 GLN 34 HG2 GLN 34 84.395 3.721 -19.819 271 HG3 GLN 34 HG1 GLN 34 83.907 5.355 -20.270 272 HE21 GLN 34 HE21 GLN 34 84.623 6.792 -17.944 273 HE22 GLN 34 HE22 GLN 34 86.305 6.713 -17.733 274 H THR 35 HN THR 35 80.569 2.300 -17.601 275 HA THR 35 HA THR 35 80.519 -0.045 -17.510 276 HB THR 35 HB THR 35 82.316 -0.278 -19.897 277 HG1 THR 35 HG1 THR 35 79.631 0.632 -19.969 278 HG21 THR 35 HG21 THR 35 80.971 -2.157 -20.379 279 HG22 THR 35 HG22 THR 35 79.635 -1.562 -19.393 280 HG23 THR 35 HG23 THR 35 81.098 -2.172 -18.620 281 H ARG 36 HN ARG 36 81.780 -1.457 -16.325 282 HA ARG 36 HA ARG 36 83.633 -2.153 -15.060 283 HE ARG 36 HE ARG 36 86.321 -4.370 -16.934 284 HB2 ARG 36 HB2 ARG 36 85.189 -1.282 -17.512 285 HB3 ARG 36 HB1 ARG 36 85.694 -2.460 -16.301 286 HG2 ARG 36 HG2 ARG 36 83.800 -3.915 -16.921 287 HG3 ARG 36 HG1 ARG 36 83.294 -2.740 -18.134 288 HD2 ARG 36 HD2 ARG 36 84.574 -4.432 -19.276 289 HD3 ARG 36 HD1 ARG 36 85.579 -2.986 -19.191 290 HH11 ARG 36 HH21 ARG 36 85.945 -5.154 -20.271 291 HH12 ARG 36 HH22 ARG 36 87.185 -6.362 -20.264 292 HH21 ARG 36 HH11 ARG 36 87.944 -5.943 -16.906 293 HH22 ARG 36 HH12 ARG 36 88.317 -6.809 -18.359 294 H GLN 37 HN GLN 37 82.881 0.229 -14.148 295 HA GLN 37 HA GLN 37 84.982 2.245 -14.386 296 HB2 GLN 37 HB2 GLN 37 82.494 1.970 -12.700 297 HB3 GLN 37 HB1 GLN 37 83.652 3.268 -12.409 298 HG2 GLN 37 HG2 GLN 37 82.532 2.736 -15.162 299 HG3 GLN 37 HG1 GLN 37 81.702 3.785 -14.012 300 HE21 GLN 37 HE21 GLN 37 85.042 3.938 -13.448 301 HE22 GLN 37 HE22 GLN 37 85.379 5.346 -14.333 302 H1U RCY 38 H1U RCY 38 82.352 1.047 -4.927 303 H1S RCY 38 H1S RCY 38 83.411 0.560 -8.829 304 HB1 RCY 38 HB1 RCY 38 85.247 0.548 -9.530 305 HB2 RCY 38 HB2 RCY 38 85.952 -0.997 -9.054 306 HA RCY 38 HA RCY 38 87.072 0.116 -11.038 307 HN1 RCY 38 HN1 RCY 38 84.846 -0.664 -12.800 308 H LYS 39 HN LYS 39 88.565 -1.463 -11.287 309 HA LYS 39 HA LYS 39 88.150 -3.857 -12.723 310 HB2 LYS 39 HB2 LYS 39 90.212 -3.585 -10.530 311 HB3 LYS 39 HB1 LYS 39 90.332 -4.504 -12.030 312 HG2 LYS 39 HG2 LYS 39 90.286 -1.488 -11.737 313 HG3 LYS 39 HG1 LYS 39 91.629 -2.482 -12.304 314 HD2 LYS 39 HD2 LYS 39 90.039 -3.279 -14.160 315 HD3 LYS 39 HD1 LYS 39 89.002 -1.932 -13.690 316 HE2 LYS 39 HE2 LYS 39 91.912 -1.682 -14.506 317 HE3 LYS 39 HE1 LYS 39 90.535 -1.314 -15.544 318 HZ1 LYS 39 HZ1 LYS 39 89.936 0.114 -13.377 319 HZ2 LYS 39 HZ2 LYS 39 90.805 0.732 -14.699 320 HZ3 LYS 39 HZ3 LYS 39 91.630 0.186 -13.317 321 H SER 40 HN SER 40 86.438 -5.123 -12.044 322 HA SER 40 HA SER 40 86.806 -6.989 -9.949 323 HG SER 40 HG SER 40 84.272 -4.203 -9.428 324 HB2 SER 40 HB2 SER 40 84.846 -6.014 -8.482 325 HB3 SER 40 HB1 SER 40 86.487 -5.420 -8.247 326 H LYS 41 HN LYS 41 85.951 -8.367 -11.561 327 HA LYS 41 HA LYS 41 83.516 -7.897 -12.971 328 HB2 LYS 41 HB2 LYS 41 83.566 -10.342 -13.433 329 HB3 LYS 41 HB1 LYS 41 85.134 -9.583 -13.714 330 HG2 LYS 41 HG2 LYS 41 85.713 -10.238 -11.305 331 HG3 LYS 41 HG1 LYS 41 84.279 -11.264 -11.352 332 HD2 LYS 41 HD2 LYS 41 86.645 -11.415 -13.243 333 HD3 LYS 41 HD1 LYS 41 86.254 -12.574 -11.972 334 HE2 LYS 41 HE2 LYS 41 84.759 -12.024 -14.534 335 HE3 LYS 41 HE1 LYS 41 85.369 -13.564 -13.927 336 HZ1 LYS 41 HZ1 LYS 41 83.761 -13.022 -11.963 337 HZ2 LYS 41 HZ2 LYS 41 83.172 -13.729 -13.392 338 HZ3 LYS 41 HZ3 LYS 41 82.981 -12.062 -13.125 339 HA PRO 42 HA PRO 42 80.574 -8.692 -9.740 340 HB2 PRO 42 HB2 PRO 42 78.372 -9.295 -11.242 341 HB3 PRO 42 HB1 PRO 42 79.014 -7.648 -11.089 342 HG2 PRO 42 HG2 PRO 42 79.361 -9.606 -13.304 343 HG3 PRO 42 HG1 PRO 42 79.094 -7.856 -13.374 344 HD2 PRO 42 HD2 PRO 42 81.565 -9.003 -13.699 345 HD3 PRO 42 HD1 PRO 42 81.332 -7.365 -13.050 346 HA PRO 43 HA PRO 43 80.467 -13.111 -9.198 347 HB2 PRO 43 HB2 PRO 43 78.536 -13.362 -7.307 348 HB3 PRO 43 HB1 PRO 43 80.111 -12.619 -6.958 349 HG2 PRO 43 HG2 PRO 43 77.491 -11.309 -7.501 350 HG3 PRO 43 HG1 PRO 43 78.738 -10.892 -6.314 351 HD2 PRO 43 HD2 PRO 43 78.437 -9.589 -8.724 352 HD3 PRO 43 HD1 PRO 43 79.978 -9.688 -7.845 353 H LYS 44 HN LYS 44 79.596 -14.619 -10.562 354 HA LYS 44 HA LYS 44 78.063 -15.626 -12.040 355 HB2 LYS 44 HB2 LYS 44 76.640 -15.155 -9.453 356 HB3 LYS 44 HB1 LYS 44 75.675 -15.687 -10.828 357 HG2 LYS 44 HG2 LYS 44 78.243 -17.115 -10.227 358 HG3 LYS 44 HG1 LYS 44 76.820 -17.469 -9.246 359 HD2 LYS 44 HD2 LYS 44 75.535 -17.945 -11.317 360 HD3 LYS 44 HD1 LYS 44 76.992 -17.655 -12.268 361 HE2 LYS 44 HE2 LYS 44 76.852 -20.028 -11.959 362 HE3 LYS 44 HE1 LYS 44 78.119 -19.460 -10.872 363 HZ1 LYS 44 HZ1 LYS 44 75.381 -19.552 -9.850 364 HZ2 LYS 44 HZ2 LYS 44 76.851 -19.824 -9.043 365 HZ3 LYS 44 HZ3 LYS 44 76.195 -21.028 -10.047 366 H LYS 45 HN LYS 45 78.381 -12.642 -12.179 367 HA LYS 45 HA LYS 45 77.410 -10.862 -13.355 368 HB2 LYS 45 HB2 LYS 45 76.392 -13.325 -14.589 369 HB3 LYS 45 HB1 LYS 45 75.291 -11.965 -14.789 370 HG2 LYS 45 HG2 LYS 45 77.168 -10.592 -15.656 371 HG3 LYS 45 HG1 LYS 45 78.239 -11.985 -15.503 372 HD2 LYS 45 HD2 LYS 45 77.622 -12.307 -17.689 373 HD3 LYS 45 HD1 LYS 45 76.253 -13.122 -16.930 374 HE2 LYS 45 HE2 LYS 45 76.298 -10.201 -17.747 375 HE3 LYS 45 HE1 LYS 45 75.522 -11.494 -18.661 376 HZ1 LYS 45 HZ1 LYS 45 73.810 -10.643 -17.390 377 HZ2 LYS 45 HZ2 LYS 45 74.792 -10.395 -16.026 378 HZ3 LYS 45 HZ3 LYS 45 74.320 -11.968 -16.461 379 H GLY 46 HN GLY 46 75.380 -9.562 -13.482 380 HA2 GLY 46 HA2 GLY 46 73.933 -9.708 -10.970 381 HA3 GLY 46 HA1 GLY 46 73.636 -8.547 -12.265 382 H VAL 47 HN VAL 47 73.392 -12.110 -11.958 383 HA VAL 47 HA VAL 47 70.518 -11.932 -12.660 384 HB VAL 47 HB VAL 47 72.477 -13.625 -14.243 385 HG11 VAL 47 HG11 VAL 47 69.482 -13.201 -14.376 386 HG12 VAL 47 HG12 VAL 47 70.345 -14.719 -14.129 387 HG13 VAL 47 HG13 VAL 47 70.407 -13.915 -15.697 388 HG21 VAL 47 HG21 VAL 47 71.026 -11.044 -14.891 389 HG22 VAL 47 HG22 VAL 47 71.750 -12.080 -16.123 390 HG23 VAL 47 HG23 VAL 47 72.768 -11.325 -14.896 391 H GLN 48 HN GLN 48 73.277 -13.703 -11.450 392 HA GLN 48 HA GLN 48 71.417 -15.463 -9.939 393 HB2 GLN 48 HB2 GLN 48 73.633 -16.377 -11.781 394 HB3 GLN 48 HB1 GLN 48 73.067 -17.384 -10.447 395 HG2 GLN 48 HG2 GLN 48 71.209 -16.216 -12.533 396 HG3 GLN 48 HG1 GLN 48 71.930 -17.820 -12.678 397 HE21 GLN 48 HE21 GLN 48 71.517 -19.309 -10.703 398 HE22 GLN 48 HE22 GLN 48 70.005 -19.181 -9.942 399 H GLY 49 HN GLY 49 72.640 -13.346 -8.777 400 HA2 GLY 49 HA2 GLY 49 74.522 -14.662 -6.932 401 HA3 GLY 49 HA1 GLY 49 75.176 -13.286 -7.821 402 H1U RCY 50 H1U RCY 50 79.230 -7.239 -2.253 403 H1S RCY 50 H1S RCY 50 75.466 -10.145 -1.521 404 HB1 RCY 50 HB1 RCY 50 72.865 -10.238 -5.051 405 HB2 RCY 50 HB2 RCY 50 74.551 -10.716 -4.854 406 HA RCY 50 HA RCY 50 73.469 -12.469 -3.152 407 HN1 RCY 50 HN1 RCY 50 74.229 -13.863 -4.882 408 H GLY 51 HN GLY 51 71.638 -12.505 -6.176 409 HA2 GLY 51 HA2 GLY 51 69.187 -13.063 -4.658 410 HA3 GLY 51 HA1 GLY 51 69.163 -11.551 -5.566 411 H ASP 52 HN ASP 52 67.607 -12.222 -7.092 412 HA ASP 52 HA ASP 52 68.656 -13.889 -9.261 413 HB2 ASP 52 HB2 ASP 52 66.560 -15.356 -9.212 414 HB3 ASP 52 HB1 ASP 52 67.762 -15.686 -7.964 415 H ASP 53 HN ASP 53 66.056 -11.952 -7.878 416 HA ASP 53 HA ASP 53 64.618 -11.639 -10.379 417 HB2 ASP 53 HB2 ASP 53 64.508 -9.693 -8.073 418 HB3 ASP 53 HB1 ASP 53 63.227 -10.134 -9.202 419 H ILE 54 HN ILE 54 66.084 -8.976 -8.510 420 HA ILE 54 HA ILE 54 67.557 -8.114 -10.948 421 HB ILE 54 HB ILE 54 65.657 -6.344 -9.375 422 HG12 ILE 54 HG12 ILE 54 64.830 -6.162 -11.921 423 HG13 ILE 54 HG11 ILE 54 65.517 -7.786 -11.986 424 HG21 ILE 54 HG21 ILE 54 66.312 -4.761 -11.341 425 HG22 ILE 54 HG22 ILE 54 67.726 -5.803 -11.496 426 HG23 ILE 54 HG23 ILE 54 67.434 -4.932 -9.991 427 HD11 ILE 54 HD11 ILE 54 63.383 -8.307 -11.269 428 HD12 ILE 54 HD12 ILE 54 63.181 -6.776 -10.418 429 HD13 ILE 54 HD13 ILE 54 64.161 -8.057 -9.706 430 HA PRO 55 HA PRO 55 69.983 -7.550 -7.056 431 HB2 PRO 55 HB2 PRO 55 72.185 -8.948 -7.800 432 HB3 PRO 55 HB1 PRO 55 70.736 -9.740 -7.150 433 HG2 PRO 55 HG2 PRO 55 71.679 -9.539 -9.955 434 HG3 PRO 55 HG1 PRO 55 70.847 -10.868 -9.134 435 HD2 PRO 55 HD2 PRO 55 69.624 -9.017 -10.834 436 HD3 PRO 55 HD1 PRO 55 68.776 -10.040 -9.654 437 H GLY 56 HN GLY 56 70.040 -6.297 -10.064 438 HA2 GLY 56 HA2 GLY 56 71.460 -4.022 -9.712 439 HA3 GLY 56 HA1 GLY 56 72.764 -5.170 -10.017 440 H MET 57 HN MET 57 69.699 -5.721 -11.554 441 HA MET 57 HA MET 57 70.969 -5.357 -14.182 442 HB2 MET 57 HB2 MET 57 69.289 -7.231 -13.446 443 HB3 MET 57 HB1 MET 57 68.056 -6.015 -13.780 444 HG2 MET 57 HG2 MET 57 70.203 -6.859 -15.749 445 HG3 MET 57 HG1 MET 57 68.548 -7.469 -15.756 446 HE1 MET 57 HE1 MET 57 67.768 -5.338 -18.669 447 HE2 MET 57 HE2 MET 57 67.441 -6.797 -17.736 448 HE3 MET 57 HE3 MET 57 69.055 -6.518 -18.386 449 H GLU 58 HN GLU 58 68.096 -4.030 -12.497 450 HA GLU 58 HA GLU 58 68.583 -1.405 -13.676 451 HB2 GLU 58 HB2 GLU 58 67.459 -2.652 -15.540 452 HB3 GLU 58 HB1 GLU 58 66.067 -2.894 -14.484 453 HG2 GLU 58 HG2 GLU 58 67.172 -0.134 -14.999 454 HG3 GLU 58 HG1 GLU 58 66.003 -0.870 -16.096 455 H GLY 59 HN GLY 59 65.437 -2.810 -12.825 456 HA2 GLY 59 HA2 GLY 59 65.250 -0.843 -10.612 457 HA3 GLY 59 HA1 GLY 59 63.899 -1.740 -11.304 458 H1U RCY 60 H1U RCY 60 70.757 -1.360 -2.620 459 H1S RCY 60 H1S RCY 60 67.058 -0.015 -4.558 460 HB1 RCY 60 HB1 RCY 60 67.888 -3.154 -7.077 461 HB2 RCY 60 HB2 RCY 60 66.777 -3.491 -5.749 462 HA RCY 60 HA RCY 60 66.188 -4.446 -8.088 463 HN1 RCY 60 HN1 RCY 60 66.096 -1.621 -8.725 464 H GLY 61 HN GLY 61 64.247 -5.472 -7.793 465 HA2 GLY 61 HA2 GLY 61 61.803 -4.389 -7.001 466 HA3 GLY 61 HA1 GLY 61 62.263 -6.060 -6.670 467 H THR 62 HN THR 62 63.078 -6.594 -4.602 468 HA THR 62 HA THR 62 62.314 -4.708 -2.481 469 HB THR 62 HB THR 62 61.713 -6.892 -1.903 470 HG1 THR 62 HG1 THR 62 62.779 -7.051 -0.101 471 HG21 THR 62 HG21 THR 62 63.398 -8.802 -2.182 472 HG22 THR 62 HG22 THR 62 64.345 -7.680 -3.160 473 HG23 THR 62 HG23 THR 62 62.717 -8.135 -3.666 474 H ASP 63 HN ASP 63 63.829 -3.062 -2.313 475 HA ASP 63 HA ASP 63 66.671 -3.491 -2.616 476 HB2 ASP 63 HB2 ASP 63 66.852 -1.187 -1.651 477 HB3 ASP 63 HB1 ASP 63 65.724 -1.281 -3.004 478 H ILE 64 HN ILE 64 65.495 -5.332 -0.719 479 HA ILE 64 HA ILE 64 67.143 -4.630 1.662 480 HB ILE 64 HB ILE 64 64.237 -5.464 1.641 481 HG12 ILE 64 HG12 ILE 64 65.210 -3.009 1.767 482 HG13 ILE 64 HG11 ILE 64 63.874 -3.482 2.817 483 HG21 ILE 64 HG21 ILE 64 66.339 -5.858 3.768 484 HG22 ILE 64 HG22 ILE 64 65.133 -7.006 3.187 485 HG23 ILE 64 HG23 ILE 64 64.641 -5.647 4.198 486 HD11 ILE 64 HD11 ILE 64 66.723 -3.847 3.721 487 HD12 ILE 64 HD12 ILE 64 65.263 -3.700 4.699 488 HD13 ILE 64 HD13 ILE 64 65.927 -2.282 3.886 489 H THR 65 HN THR 65 65.973 -6.906 -0.607 490 HA THR 65 HA THR 65 66.169 -9.259 -0.741 491 HB THR 65 HB THR 65 68.340 -8.436 -1.547 492 HG1 THR 65 HG1 THR 65 68.351 -10.588 -1.542 493 HG21 THR 65 HG21 THR 65 69.082 -7.127 0.327 494 HG22 THR 65 HG22 THR 65 70.257 -8.424 0.110 495 HG23 THR 65 HG23 THR 65 69.053 -8.531 1.393 496 H VAL 66 HN VAL 66 65.177 -8.394 1.842 497 HA VAL 66 HA VAL 66 64.704 -9.370 3.917 498 HB VAL 66 HB VAL 66 66.435 -11.711 3.112 499 HG11 VAL 66 HG11 VAL 66 64.761 -12.947 4.450 500 HG12 VAL 66 HG12 VAL 66 63.900 -11.438 4.757 501 HG13 VAL 66 HG13 VAL 66 65.524 -11.673 5.401 502 HG21 VAL 66 HG21 VAL 66 64.161 -12.594 2.199 503 HG22 VAL 66 HG22 VAL 66 65.090 -11.487 1.188 504 HG23 VAL 66 HG23 VAL 66 63.711 -10.891 2.111 505 H ILE 67 HN ILE 67 68.069 -9.718 2.837 506 HA ILE 67 HA ILE 67 68.930 -8.696 5.505 507 HB ILE 67 HB ILE 67 70.141 -11.025 3.982 508 HG12 ILE 67 HG12 ILE 67 69.081 -10.909 6.817 509 HG13 ILE 67 HG11 ILE 67 68.086 -11.404 5.447 510 HG21 ILE 67 HG21 ILE 67 71.692 -11.065 6.015 511 HG22 ILE 67 HG22 ILE 67 71.113 -9.437 6.367 512 HG23 ILE 67 HG23 ILE 67 71.969 -9.761 4.860 513 HD11 ILE 67 HD11 ILE 67 70.678 -12.711 6.328 514 HD12 ILE 67 HD12 ILE 67 69.731 -13.185 4.917 515 HD13 ILE 67 HD13 ILE 67 69.058 -13.377 6.536 516 H1U RCY 68 H1U RCY 68 74.148 -0.190 0.570 517 H1S RCY 68 H1S RCY 68 70.645 -2.183 0.347 518 HB1 RCY 68 HB1 RCY 68 70.307 -3.969 3.499 519 HB2 RCY 68 HB2 RCY 68 68.955 -4.974 2.983 520 HA RCY 68 HA RCY 68 71.129 -6.499 2.235 521 HN1 RCY 68 HN1 RCY 68 69.286 -6.639 4.545 522 HA PRO 69 HA PRO 69 74.924 -6.109 4.481 523 HB2 PRO 69 HB2 PRO 69 75.158 -3.582 2.872 524 HB3 PRO 69 HB1 PRO 69 76.375 -4.840 3.170 525 HG2 PRO 69 HG2 PRO 69 74.984 -4.708 0.879 526 HG3 PRO 69 HG1 PRO 69 75.503 -6.246 1.587 527 HD2 PRO 69 HD2 PRO 69 72.779 -5.146 1.352 528 HD3 PRO 69 HD1 PRO 69 73.291 -6.814 1.683 529 H TRP 70 HN TRP 70 72.577 -3.506 4.372 530 HA TRP 70 HA TRP 70 73.867 -1.862 6.387 531 HD1 TRP 70 HD1 TRP 70 73.820 0.632 6.215 532 HE1 TRP 70 HE1 TRP 70 73.065 2.393 7.938 533 HE3 TRP 70 HE3 TRP 70 69.171 -1.161 7.328 534 HZ2 TRP 70 HZ2 TRP 70 70.786 2.967 9.576 535 HZ3 TRP 70 HZ3 TRP 70 67.732 0.008 8.968 536 HH2 TRP 70 HH2 TRP 70 68.530 2.067 10.093 537 HB2 TRP 70 HB2 TRP 70 72.108 -1.093 4.698 538 HB3 TRP 70 HB1 TRP 70 70.915 -1.889 5.726 539 H GLU 71 HN GLU 71 73.237 -4.830 6.900 540 HA GLU 71 HA GLU 71 72.193 -4.388 9.643 541 HB2 GLU 71 HB2 GLU 71 70.993 -6.265 7.596 542 HB3 GLU 71 HB1 GLU 71 70.767 -6.501 9.330 543 HG2 GLU 71 HG2 GLU 71 69.849 -4.194 9.496 544 HG3 GLU 71 HG1 GLU 71 70.002 -4.030 7.747 545 H ALA 72 HN ALA 72 73.311 -6.917 7.367 546 HA ALA 72 HA ALA 72 74.538 -8.454 9.522 547 HB1 ALA 72 HB1 ALA 72 75.460 -9.817 7.625 548 HB2 ALA 72 HB2 ALA 72 74.722 -8.672 6.504 549 HB3 ALA 72 HB3 ALA 72 73.706 -9.639 7.574 550 H1U RCY 73 H1U RCY 73 75.143 -7.305 0.366 551 H1S RCY 73 H1S RCY 73 78.360 -6.119 3.386 552 HB1 RCY 73 HB1 RCY 73 79.229 -5.672 5.743 553 HB2 RCY 73 HB2 RCY 73 77.506 -5.744 5.376 554 HA RCY 73 HA RCY 73 78.769 -7.338 7.616 555 HN1 RCY 73 HN1 RCY 73 76.188 -7.453 6.550 556 H ASN 74 HN ASN 74 77.330 -4.253 6.653 557 HA ASN 74 HA ASN 74 77.206 -2.198 7.781 558 HB2 ASN 74 HB2 ASN 74 77.884 -3.553 10.383 559 HB3 ASN 74 HB1 ASN 74 76.822 -2.176 10.088 560 HD21 ASN 74 HD21 ASN 74 75.058 -3.038 8.182 561 HD22 ASN 74 HD22 ASN 74 74.222 -4.422 8.698 562 H HIS 75 HN HIS 75 79.673 -4.078 9.587 563 HA HIS 75 HA HIS 75 81.548 -1.808 9.252 564 HD1 HIS 75 HD1 HIS 75 82.764 -0.833 11.689 565 HD2 HIS 75 HD2 HIS 75 79.580 -3.374 12.588 566 HE1 HIS 75 HE1 HIS 75 81.431 0.308 13.516 567 HE2 HIS 75 HE2 HIS 75 79.490 -1.229 14.072 568 HB2 HIS 75 HB2 HIS 75 81.611 -4.347 10.895 569 HB3 HIS 75 HB1 HIS 75 83.015 -3.290 10.744 570 H1U RCY 76 H1U RCY 76 80.189 -0.921 -0.487 571 H1S RCY 76 H1S RCY 76 82.041 -4.172 1.055 572 HB1 RCY 76 HB1 RCY 76 81.073 -3.459 4.641 573 HB2 RCY 76 HB2 RCY 76 81.309 -5.190 4.865 574 HA RCY 76 HA RCY 76 83.170 -4.895 6.245 575 HN1 RCY 76 HN1 RCY 76 81.182 -2.775 6.798 576 H GLU 77 HN GLU 77 82.795 -1.416 6.007 577 HA GLU 77 HA GLU 77 84.873 -0.835 4.165 578 HB2 GLU 77 HB2 GLU 77 83.194 0.782 5.257 579 HB3 GLU 77 HB1 GLU 77 84.312 0.835 6.621 580 HG2 GLU 77 HG2 GLU 77 84.900 2.668 5.191 581 HG3 GLU 77 HG1 GLU 77 86.136 1.432 4.953 582 H LEU 78 HN LEU 78 87.093 -0.805 4.351 583 HA LEU 78 HA LEU 78 88.322 -2.214 6.552 584 HG LEU 78 HG LEU 78 90.134 -2.831 3.451 585 HB2 LEU 78 HB2 LEU 78 89.400 -0.646 4.205 586 HB3 LEU 78 HB1 LEU 78 90.475 -1.314 5.431 587 HD11 LEU 78 HD11 LEU 78 90.459 -3.479 6.033 588 HD12 LEU 78 HD12 LEU 78 90.265 -4.707 4.783 589 HD13 LEU 78 HD13 LEU 78 88.885 -4.230 5.772 590 HD21 LEU 78 HD21 LEU 78 87.364 -3.265 4.582 591 HD22 LEU 78 HD22 LEU 78 88.018 -3.838 3.047 592 HD23 LEU 78 HD23 LEU 78 87.661 -2.125 3.269 593 H HIS 79 HN HIS 79 89.612 0.896 5.505 594 HA HIS 79 HA HIS 79 88.818 2.365 7.852 595 HD1 HIS 79 HD1 HIS 79 88.761 1.868 10.297 596 HD2 HIS 79 HD2 HIS 79 92.487 3.655 9.726 597 HE1 HIS 79 HE1 HIS 79 89.078 3.491 12.215 598 HE2 HIS 79 HE2 HIS 79 91.342 4.585 11.880 599 HB2 HIS 79 HB2 HIS 79 90.606 0.568 8.616 600 HB3 HIS 79 HB1 HIS 79 91.751 1.711 7.914 601 H GLU 80 HN GLU 80 88.505 4.136 6.519 602 HA GLU 80 HA GLU 80 90.950 5.449 5.494 603 HB2 GLU 80 HB2 GLU 80 89.974 4.012 3.639 604 HB3 GLU 80 HB1 GLU 80 88.545 5.042 3.696 605 HG2 GLU 80 HG2 GLU 80 89.848 7.000 3.132 606 HG3 GLU 80 HG1 GLU 80 91.355 6.096 3.279 607 H LEU 81 HN LEU 81 88.178 6.684 4.041 608 HA LEU 81 HA LEU 81 88.233 9.044 5.724 609 HG LEU 81 HG LEU 81 85.015 8.036 4.328 610 HB2 LEU 81 HB2 LEU 81 86.588 9.946 4.239 611 HB3 LEU 81 HB1 LEU 81 87.681 8.994 3.238 612 HD11 LEU 81 HD11 LEU 81 84.713 9.672 2.543 613 HD12 LEU 81 HD12 LEU 81 84.363 8.061 1.915 614 HD13 LEU 81 HD13 LEU 81 85.901 8.839 1.540 615 HD21 LEU 81 HD21 LEU 81 85.535 6.177 2.593 616 HD22 LEU 81 HD22 LEU 81 86.389 6.122 4.135 617 HD23 LEU 81 HD23 LEU 81 87.201 6.743 2.698 618 H ALA 82 HN ALA 82 86.577 6.047 5.876 619 HA ALA 82 HA ALA 82 84.142 6.841 7.135 620 HB1 ALA 82 HB1 ALA 82 85.799 4.316 7.334 621 HB2 ALA 82 HB2 ALA 82 84.334 4.575 6.387 622 HB3 ALA 82 HB3 ALA 82 84.245 4.500 8.147 623 H GLN 83 HN GLN 83 85.789 4.816 9.298 624 HA GLN 83 HA GLN 83 86.498 5.129 11.509 625 HB2 GLN 83 HB2 GLN 83 88.113 6.682 10.132 626 HB3 GLN 83 HB1 GLN 83 87.173 7.988 10.854 627 HG2 GLN 83 HG2 GLN 83 87.587 6.838 13.108 628 HG3 GLN 83 HG1 GLN 83 88.794 5.863 12.268 629 HE21 GLN 83 HE21 GLN 83 90.785 6.751 12.892 630 HE22 GLN 83 HE22 GLN 83 91.170 8.402 12.807 631 H TYR 84 HN TYR 84 83.786 6.243 10.358 632 HA TYR 84 HA TYR 84 82.737 7.063 12.917 633 HD1 TYR 84 HD2 TYR 84 82.673 9.295 14.507 634 HD2 TYR 84 HD1 TYR 84 80.753 10.014 10.732 635 HE1 TYR 84 HE2 TYR 84 80.794 10.416 15.676 636 HE2 TYR 84 HE1 TYR 84 78.874 11.134 11.901 637 HH TYR 84 HH TYR 84 78.873 12.406 14.577 638 HB2 TYR 84 HB2 TYR 84 83.908 9.159 12.315 639 HB3 TYR 84 HB1 TYR 84 83.004 9.223 10.803 640 H GLY 85 HN GLY 85 82.085 7.785 9.458 641 HA2 GLY 85 HA2 GLY 85 79.249 7.277 9.779 642 HA3 GLY 85 HA1 GLY 85 80.085 7.526 8.246 643 H ILE 86 HN ILE 86 80.055 5.076 10.852 644 HA ILE 86 HA ILE 86 80.601 2.746 10.565 645 HB ILE 86 HB ILE 86 78.290 2.051 9.116 646 HG12 ILE 86 HG12 ILE 86 77.794 4.534 9.129 647 HG13 ILE 86 HG11 ILE 86 76.565 3.544 9.917 648 HG21 ILE 86 HG21 ILE 86 78.899 0.957 11.157 649 HG22 ILE 86 HG22 ILE 86 77.354 1.749 11.470 650 HG23 ILE 86 HG23 ILE 86 78.851 2.472 12.060 651 HD11 ILE 86 HD11 ILE 86 76.924 4.538 11.910 652 HD12 ILE 86 HD12 ILE 86 77.900 5.726 11.045 653 HD13 ILE 86 HD13 ILE 86 78.669 4.317 11.777 654 H1U RCY 87 H1U RCY 87 78.998 2.165 -1.072 655 H1S RCY 87 H1S RCY 87 76.710 1.099 3.088 656 HB1 RCY 87 HB1 RCY 87 79.685 3.036 4.021 657 HB2 RCY 87 HB2 RCY 87 78.805 3.930 5.260 658 HA RCY 87 HA RCY 87 80.368 1.462 5.992 659 HN1 RCY 87 HN1 RCY 87 78.860 3.294 7.504 Start of MODEL 4 1 HA MET 1 HA MET 1 60.870 7.979 21.747 2 HB2 MET 1 HB2 MET 1 62.748 9.017 20.478 3 HB3 MET 1 HB1 MET 1 63.578 9.323 22.003 4 HG2 MET 1 HG2 MET 1 62.647 6.543 21.331 5 HG3 MET 1 HG1 MET 1 64.161 7.152 20.663 6 HE1 MET 1 HE1 MET 1 66.522 7.660 23.448 7 HE2 MET 1 HE2 MET 1 65.837 8.415 22.012 8 HE3 MET 1 HE3 MET 1 66.403 6.748 21.938 9 H ASN 2 HN ASN 2 60.144 7.108 23.668 10 HA ASN 2 HA ASN 2 62.083 6.818 25.832 11 HB2 ASN 2 HB2 ASN 2 61.033 9.043 26.318 12 HB3 ASN 2 HB1 ASN 2 59.468 8.236 26.422 13 HD21 ASN 2 HD21 ASN 2 58.932 7.923 28.583 14 HD22 ASN 2 HD22 ASN 2 60.019 7.459 29.801 15 H LEU 3 HN LEU 3 60.533 5.117 23.992 16 HA LEU 3 HA LEU 3 59.566 3.206 25.973 17 HG LEU 3 HG LEU 3 58.405 5.045 23.184 18 HB2 LEU 3 HB2 LEU 3 57.278 3.030 25.037 19 HB3 LEU 3 HB1 LEU 3 57.569 4.613 25.753 20 HD11 LEU 3 HD11 LEU 3 56.087 3.090 23.099 21 HD12 LEU 3 HD12 LEU 3 57.692 2.847 22.410 22 HD13 LEU 3 HD13 LEU 3 56.616 4.068 21.731 23 HD21 LEU 3 HD21 LEU 3 56.186 6.151 22.880 24 HD22 LEU 3 HD22 LEU 3 56.901 6.497 24.454 25 HD23 LEU 3 HD23 LEU 3 55.601 5.313 24.317 26 H GLU 4 HN GLU 4 61.183 3.845 23.260 27 HA GLU 4 HA GLU 4 60.285 1.885 21.385 28 HB2 GLU 4 HB2 GLU 4 61.961 3.761 20.974 29 HB3 GLU 4 HB1 GLU 4 63.158 2.743 21.777 30 HG2 GLU 4 HG2 GLU 4 62.736 0.947 20.139 31 HG3 GLU 4 HG1 GLU 4 61.539 1.962 19.333 32 HA PRO 5 HA PRO 5 61.089 -1.927 23.600 33 HB2 PRO 5 HB2 PRO 5 61.968 -2.775 20.860 34 HB3 PRO 5 HB1 PRO 5 60.907 -3.611 22.011 35 HG2 PRO 5 HG2 PRO 5 59.937 -2.272 19.908 36 HG3 PRO 5 HG1 PRO 5 59.080 -2.341 21.456 37 HD2 PRO 5 HD2 PRO 5 60.478 -0.052 20.200 38 HD3 PRO 5 HD1 PRO 5 59.213 -0.053 21.448 39 HA PRO 6 HA PRO 6 65.519 -0.803 24.166 40 HB2 PRO 6 HB2 PRO 6 65.145 -2.962 26.207 41 HB3 PRO 6 HB1 PRO 6 65.926 -1.376 26.373 42 HG2 PRO 6 HG2 PRO 6 63.492 -1.836 27.349 43 HG3 PRO 6 HG1 PRO 6 63.923 -0.273 26.635 44 HD2 PRO 6 HD2 PRO 6 62.198 -2.436 25.518 45 HD3 PRO 6 HD1 PRO 6 62.123 -0.681 25.251 46 H LYS 7 HN LYS 7 67.543 -2.111 24.044 47 HA LYS 7 HA LYS 7 68.834 -3.699 22.890 48 HB2 LYS 7 HB2 LYS 7 66.651 -5.387 24.133 49 HB3 LYS 7 HB1 LYS 7 67.980 -6.100 23.223 50 HG2 LYS 7 HG2 LYS 7 68.890 -6.144 25.356 51 HG3 LYS 7 HG1 LYS 7 69.448 -4.559 24.819 52 HD2 LYS 7 HD2 LYS 7 68.490 -4.256 27.004 53 HD3 LYS 7 HD1 LYS 7 67.343 -3.585 25.844 54 HE2 LYS 7 HE2 LYS 7 65.792 -5.229 26.218 55 HE3 LYS 7 HE1 LYS 7 67.018 -6.466 26.494 56 HZ1 LYS 7 HZ1 LYS 7 65.869 -4.534 28.371 57 HZ2 LYS 7 HZ2 LYS 7 67.483 -5.011 28.600 58 HZ3 LYS 7 HZ3 LYS 7 66.243 -6.173 28.601 59 H ALA 8 HN ALA 8 68.539 -5.623 21.189 60 HA ALA 8 HA ALA 8 66.876 -4.487 19.044 61 HB1 ALA 8 HB1 ALA 8 67.919 -6.410 17.719 62 HB2 ALA 8 HB2 ALA 8 68.862 -6.767 19.166 63 HB3 ALA 8 HB3 ALA 8 69.046 -5.212 18.355 64 H GLU 9 HN GLU 9 67.322 -7.956 19.527 65 HA GLU 9 HA GLU 9 65.734 -9.685 19.565 66 HB2 GLU 9 HB2 GLU 9 63.963 -7.736 21.049 67 HB3 GLU 9 HB1 GLU 9 64.039 -9.490 21.221 68 HG2 GLU 9 HG2 GLU 9 66.190 -7.504 22.011 69 HG3 GLU 9 HG1 GLU 9 65.196 -8.469 23.104 70 H1U RCY 10 H1U RCY 10 62.196 -2.335 12.430 71 H1S RCY 10 H1S RCY 10 63.578 -6.147 13.479 72 HB1 RCY 10 HB1 RCY 10 63.791 -8.574 14.071 73 HB2 RCY 10 HB2 RCY 10 65.198 -9.246 14.894 74 HA RCY 10 HA RCY 10 63.241 -7.447 16.328 75 HN1 RCY 10 HN1 RCY 10 65.602 -8.888 17.150 76 H ARG 11 HN ARG 11 63.371 -10.294 14.529 77 HA ARG 11 HA ARG 11 61.770 -11.984 14.230 78 HE ARG 11 HE ARG 11 63.809 -15.256 16.437 79 HB2 ARG 11 HB2 ARG 11 63.014 -12.727 16.319 80 HB3 ARG 11 HB1 ARG 11 61.706 -12.011 17.260 81 HG2 ARG 11 HG2 ARG 11 60.116 -13.549 16.459 82 HG3 ARG 11 HG1 ARG 11 61.103 -13.981 15.062 83 HD2 ARG 11 HD2 ARG 11 62.076 -14.528 17.861 84 HD3 ARG 11 HD1 ARG 11 60.996 -15.657 17.044 85 HH11 ARG 11 HH21 ARG 11 60.692 -16.063 15.206 86 HH12 ARG 11 HH22 ARG 11 61.308 -17.005 13.890 87 HH21 ARG 11 HH11 ARG 11 64.633 -16.482 14.726 88 HH22 ARG 11 HH12 ARG 11 63.540 -17.243 13.618 89 H SER 12 HN SER 12 60.624 -9.518 13.938 90 HA SER 12 HA SER 12 58.164 -9.512 15.618 91 HG SER 12 HG SER 12 59.766 -7.081 13.038 92 HB2 SER 12 HB2 SER 12 57.852 -7.274 14.953 93 HB3 SER 12 HB1 SER 12 59.602 -7.406 15.104 94 H ALA 13 HN ALA 13 59.312 -10.294 12.442 95 HA ALA 13 HA ALA 13 58.198 -11.155 10.568 96 HB1 ALA 13 HB1 ALA 13 56.331 -12.545 10.975 97 HB2 ALA 13 HB2 ALA 13 55.789 -11.568 12.339 98 HB3 ALA 13 HB3 ALA 13 57.221 -12.586 12.497 99 H THR 14 HN THR 14 57.773 -9.511 9.154 100 HA THR 14 HA THR 14 55.158 -8.124 9.417 101 HB THR 14 HB THR 14 56.040 -5.957 9.291 102 HG1 THR 14 HG1 THR 14 57.457 -6.381 7.567 103 HG21 THR 14 HG21 THR 14 56.585 -7.113 11.462 104 HG22 THR 14 HG22 THR 14 57.662 -5.772 11.072 105 HG23 THR 14 HG23 THR 14 58.196 -7.434 10.822 106 H ARG 15 HN ARG 15 55.050 -6.604 7.266 107 HA ARG 15 HA ARG 15 55.386 -8.515 5.043 108 HE ARG 15 HE ARG 15 51.707 -4.915 4.009 109 HB2 ARG 15 HB2 ARG 15 54.256 -5.727 4.805 110 HB3 ARG 15 HB1 ARG 15 53.876 -7.156 3.842 111 HG2 ARG 15 HG2 ARG 15 52.970 -8.196 5.993 112 HG3 ARG 15 HG1 ARG 15 53.084 -6.586 6.705 113 HD2 ARG 15 HD2 ARG 15 51.536 -7.260 4.185 114 HD3 ARG 15 HD1 ARG 15 50.819 -7.040 5.781 115 HH11 ARG 15 HH21 ARG 15 51.291 -5.945 7.273 116 HH12 ARG 15 HH22 ARG 15 51.127 -4.338 7.899 117 HH21 ARG 15 HH11 ARG 15 51.495 -2.811 4.807 118 HH22 ARG 15 HH12 ARG 15 51.242 -2.564 6.503 119 H VAL 16 HN VAL 16 56.595 -8.023 3.138 120 HA VAL 16 HA VAL 16 58.849 -6.156 3.625 121 HB VAL 16 HB VAL 16 59.935 -7.283 1.762 122 HG11 VAL 16 HG11 VAL 16 60.101 -9.500 2.687 123 HG12 VAL 16 HG12 VAL 16 58.499 -9.377 3.414 124 HG13 VAL 16 HG13 VAL 16 59.827 -8.397 4.035 125 HG21 VAL 16 HG21 VAL 16 58.650 -9.210 0.668 126 HG22 VAL 16 HG22 VAL 16 58.139 -7.584 0.213 127 HG23 VAL 16 HG23 VAL 16 57.195 -8.511 1.379 128 H MET 17 HN MET 17 59.483 -4.635 1.927 129 HA MET 17 HA MET 17 57.110 -3.560 0.480 130 HB2 MET 17 HB2 MET 17 58.624 -1.533 0.194 131 HB3 MET 17 HB1 MET 17 58.167 -1.904 1.857 132 HG2 MET 17 HG2 MET 17 60.694 -3.046 0.681 133 HG3 MET 17 HG1 MET 17 60.675 -1.411 1.342 134 HE1 MET 17 HE1 MET 17 62.687 -2.742 2.698 135 HE2 MET 17 HE2 MET 17 62.162 -4.340 2.174 136 HE3 MET 17 HE3 MET 17 62.370 -4.007 3.892 137 H GLY 18 HN GLY 18 57.625 -2.607 -1.735 138 HA2 GLY 18 HA2 GLY 18 58.216 -3.103 -3.958 139 HA3 GLY 18 HA1 GLY 18 59.851 -3.213 -3.303 140 H GLY 19 HN GLY 19 56.879 -5.126 -3.763 141 HA2 GLY 19 HA2 GLY 19 58.042 -7.657 -3.113 142 HA3 GLY 19 HA1 GLY 19 56.603 -7.431 -4.107 143 HA PRO 20 HA PRO 20 58.461 -8.155 -8.032 144 HB2 PRO 20 HB2 PRO 20 58.850 -5.225 -8.526 145 HB3 PRO 20 HB1 PRO 20 58.108 -6.454 -9.568 146 HG2 PRO 20 HG2 PRO 20 56.631 -4.713 -8.195 147 HG3 PRO 20 HG1 PRO 20 56.102 -6.384 -8.450 148 HD2 PRO 20 HD2 PRO 20 57.102 -5.092 -5.963 149 HD3 PRO 20 HD1 PRO 20 56.009 -6.480 -6.154 150 H1U RCY 21 H1U RCY 21 62.501 -2.225 -6.554 151 H1S RCY 21 H1S RCY 21 62.569 -6.516 -6.849 152 HB1 RCY 21 HB1 RCY 21 63.815 -9.524 -7.370 153 HB2 RCY 21 HB2 RCY 21 62.164 -9.696 -6.775 154 HA RCY 21 HA RCY 21 62.793 -6.995 -7.772 155 HN1 RCY 21 HN1 RCY 21 60.526 -8.746 -8.594 156 H THR 22 HN THR 22 63.570 -6.476 -9.776 157 HA THR 22 HA THR 22 64.407 -8.721 -11.537 158 HB THR 22 HB THR 22 62.971 -6.285 -12.616 159 HG1 THR 22 HG1 THR 22 61.205 -7.258 -12.100 160 HG21 THR 22 HG21 THR 22 64.489 -7.412 -14.177 161 HG22 THR 22 HG22 THR 22 62.813 -7.703 -14.644 162 HG23 THR 22 HG23 THR 22 63.730 -8.963 -13.818 163 HA PRO 23 HA PRO 23 67.969 -5.895 -10.828 164 HB2 PRO 23 HB2 PRO 23 69.132 -8.017 -12.597 165 HB3 PRO 23 HB1 PRO 23 69.799 -7.289 -11.122 166 HG2 PRO 23 HG2 PRO 23 68.715 -9.719 -11.101 167 HG3 PRO 23 HG1 PRO 23 68.517 -8.607 -9.736 168 HD2 PRO 23 HD2 PRO 23 66.522 -9.427 -11.797 169 HD3 PRO 23 HD1 PRO 23 66.263 -8.923 -10.112 170 H ARG 24 HN ARG 24 67.466 -4.095 -12.106 171 HA ARG 24 HA ARG 24 68.417 -4.171 -14.891 172 HE ARG 24 HE ARG 24 63.579 -2.396 -15.884 173 HB2 ARG 24 HB2 ARG 24 65.899 -4.820 -14.795 174 HB3 ARG 24 HB1 ARG 24 65.629 -3.122 -14.404 175 HG2 ARG 24 HG2 ARG 24 66.844 -2.465 -16.460 176 HG3 ARG 24 HG1 ARG 24 67.072 -4.168 -16.860 177 HD2 ARG 24 HD2 ARG 24 65.154 -3.471 -18.099 178 HD3 ARG 24 HD1 ARG 24 64.527 -4.392 -16.732 179 HH11 ARG 24 HH21 ARG 24 65.897 -1.812 -18.368 180 HH12 ARG 24 HH22 ARG 24 65.531 -0.123 -18.496 181 HH21 ARG 24 HH11 ARG 24 63.088 -0.195 -16.037 182 HH22 ARG 24 HH12 ARG 24 63.941 0.792 -17.177 183 H LYS 25 HN LYS 25 68.403 -1.907 -15.821 184 HA LYS 25 HA LYS 25 68.316 0.230 -13.747 185 HB2 LYS 25 HB2 LYS 25 70.517 1.056 -14.405 186 HB3 LYS 25 HB1 LYS 25 70.663 -0.628 -13.901 187 HG2 LYS 25 HG2 LYS 25 70.339 -1.206 -16.398 188 HG3 LYS 25 HG1 LYS 25 70.688 0.496 -16.701 189 HD2 LYS 25 HD2 LYS 25 72.823 0.253 -15.442 190 HD3 LYS 25 HD1 LYS 25 72.484 -1.467 -15.245 191 HE2 LYS 25 HE2 LYS 25 72.875 0.009 -17.864 192 HE3 LYS 25 HE1 LYS 25 73.965 -1.181 -17.153 193 HZ1 LYS 25 HZ1 LYS 25 72.823 -2.599 -18.438 194 HZ2 LYS 25 HZ2 LYS 25 71.480 -1.569 -18.585 195 HZ3 LYS 25 HZ3 LYS 25 71.665 -2.536 -17.200 196 H GLY 26 HN GLY 26 68.963 2.408 -15.090 197 HA2 GLY 26 HA2 GLY 26 68.231 2.505 -17.860 198 HA3 GLY 26 HA1 GLY 26 66.827 2.905 -16.870 199 HA PRO 27 HA PRO 27 67.850 7.154 -16.416 200 HB2 PRO 27 HB2 PRO 27 68.151 6.625 -13.482 201 HB3 PRO 27 HB1 PRO 27 67.228 7.896 -14.308 202 HG2 PRO 27 HG2 PRO 27 66.047 5.731 -13.274 203 HG3 PRO 27 HG1 PRO 27 65.459 6.512 -14.750 204 HD2 PRO 27 HD2 PRO 27 66.836 3.907 -14.438 205 HD3 PRO 27 HD1 PRO 27 65.790 4.479 -15.755 206 HA PRO 28 HA PRO 28 72.379 6.754 -16.580 207 HB2 PRO 28 HB2 PRO 28 72.131 9.736 -16.620 208 HB3 PRO 28 HB1 PRO 28 73.061 8.667 -17.689 209 HG2 PRO 28 HG2 PRO 28 70.773 9.789 -18.476 210 HG3 PRO 28 HG1 PRO 28 71.236 8.157 -18.986 211 HD2 PRO 28 HD2 PRO 28 69.158 8.992 -17.015 212 HD3 PRO 28 HD1 PRO 28 69.217 7.549 -18.051 213 H LYS 29 HN LYS 29 73.924 6.813 -14.945 214 HA LYS 29 HA LYS 29 73.075 7.889 -12.335 215 HB2 LYS 29 HB2 LYS 29 75.127 6.790 -11.490 216 HB3 LYS 29 HB1 LYS 29 74.135 5.670 -12.425 217 HG2 LYS 29 HG2 LYS 29 75.558 6.238 -14.439 218 HG3 LYS 29 HG1 LYS 29 76.630 7.118 -13.349 219 HD2 LYS 29 HD2 LYS 29 77.100 5.109 -12.085 220 HD3 LYS 29 HD1 LYS 29 75.886 4.203 -12.989 221 HE2 LYS 29 HE2 LYS 29 78.348 3.909 -13.706 222 HE3 LYS 29 HE1 LYS 29 77.172 4.242 -14.977 223 HZ1 LYS 29 HZ1 LYS 29 78.989 5.683 -15.330 224 HZ2 LYS 29 HZ2 LYS 29 79.046 6.147 -13.697 225 HZ3 LYS 29 HZ3 LYS 29 77.752 6.644 -14.679 226 H1U RCY 30 H1U RCY 30 80.681 12.875 -7.747 227 H1S RCY 30 H1S RCY 30 76.198 11.887 -7.707 228 HB1 RCY 30 HB1 RCY 30 74.439 12.289 -10.841 229 HB2 RCY 30 HB2 RCY 30 76.151 12.438 -10.442 230 HA RCY 30 HA RCY 30 75.511 11.506 -12.787 231 HN1 RCY 30 HN1 RCY 30 74.433 9.377 -11.115 232 H LYS 31 HN LYS 31 76.816 8.789 -11.036 233 HA LYS 31 HA LYS 31 79.494 9.686 -10.691 234 HB2 LYS 31 HB2 LYS 31 78.328 7.523 -9.842 235 HB3 LYS 31 HB1 LYS 31 78.789 6.840 -11.399 236 HG2 LYS 31 HG2 LYS 31 80.783 6.362 -10.434 237 HG3 LYS 31 HG1 LYS 31 81.119 8.090 -10.545 238 HD2 LYS 31 HD2 LYS 31 79.647 6.857 -8.206 239 HD3 LYS 31 HD1 LYS 31 81.397 7.072 -8.226 240 HE2 LYS 31 HE2 LYS 31 80.644 9.037 -7.180 241 HE3 LYS 31 HE1 LYS 31 80.853 9.541 -8.857 242 HZ1 LYS 31 HZ1 LYS 31 78.599 9.872 -7.443 243 HZ2 LYS 31 HZ2 LYS 31 78.265 8.413 -8.248 244 HZ3 LYS 31 HZ3 LYS 31 78.663 9.805 -9.137 245 H GLN 32 HN GLN 32 80.763 7.453 -12.226 246 HA GLN 32 HA GLN 32 80.310 7.969 -15.042 247 HB2 GLN 32 HB2 GLN 32 81.531 10.065 -14.133 248 HB3 GLN 32 HB1 GLN 32 82.939 9.014 -13.982 249 HG2 GLN 32 HG2 GLN 32 81.364 9.343 -16.549 250 HG3 GLN 32 HG1 GLN 32 82.819 10.266 -16.171 251 HE21 GLN 32 HE21 GLN 32 81.840 7.560 -17.834 252 HE22 GLN 32 HE22 GLN 32 83.269 6.648 -17.755 253 H ARG 33 HN ARG 33 80.249 5.576 -14.541 254 HA ARG 33 HA ARG 33 81.235 3.455 -14.678 255 HE ARG 33 HE ARG 33 85.743 3.222 -16.132 256 HB2 ARG 33 HB2 ARG 33 82.283 4.699 -16.692 257 HB3 ARG 33 HB1 ARG 33 83.726 4.833 -15.686 258 HG2 ARG 33 HG2 ARG 33 83.748 2.378 -15.397 259 HG3 ARG 33 HG1 ARG 33 82.319 2.248 -16.422 260 HD2 ARG 33 HD2 ARG 33 84.080 1.841 -17.925 261 HD3 ARG 33 HD1 ARG 33 83.739 3.553 -18.172 262 HH11 ARG 33 HH21 ARG 33 85.143 3.038 -19.522 263 HH12 ARG 33 HH22 ARG 33 86.774 3.417 -19.966 264 HH21 ARG 33 HH11 ARG 33 87.876 3.718 -16.692 265 HH22 ARG 33 HH12 ARG 33 88.321 3.802 -18.364 266 H GLN 34 HN GLN 34 81.675 2.603 -12.705 267 HA GLN 34 HA GLN 34 83.571 3.859 -10.876 268 HB2 GLN 34 HB2 GLN 34 81.470 2.607 -10.184 269 HB3 GLN 34 HB1 GLN 34 82.310 1.118 -10.622 270 HG2 GLN 34 HG2 GLN 34 84.169 1.804 -9.058 271 HG3 GLN 34 HG1 GLN 34 83.143 3.133 -8.518 272 HE21 GLN 34 HE21 GLN 34 82.849 2.263 -6.358 273 HE22 GLN 34 HE22 GLN 34 81.938 0.860 -6.074 274 H THR 35 HN THR 35 85.732 3.585 -11.109 275 HA THR 35 HA THR 35 86.858 0.914 -11.446 276 HB THR 35 HB THR 35 87.517 2.934 -13.598 277 HG1 THR 35 HG1 THR 35 85.943 0.715 -14.151 278 HG21 THR 35 HG21 THR 35 87.770 -0.060 -13.730 279 HG22 THR 35 HG22 THR 35 89.003 0.902 -12.916 280 HG23 THR 35 HG23 THR 35 88.664 1.167 -14.626 281 H ARG 36 HN ARG 36 87.230 2.511 -9.311 282 HA ARG 36 HA ARG 36 90.085 3.253 -9.561 283 HE ARG 36 HE ARG 36 90.547 7.960 -11.661 284 HB2 ARG 36 HB2 ARG 36 87.897 5.155 -8.686 285 HB3 ARG 36 HB1 ARG 36 89.597 5.409 -8.292 286 HG2 ARG 36 HG2 ARG 36 90.104 5.240 -10.763 287 HG3 ARG 36 HG1 ARG 36 88.364 5.249 -11.053 288 HD2 ARG 36 HD2 ARG 36 88.130 7.435 -10.081 289 HD3 ARG 36 HD1 ARG 36 89.788 7.408 -9.479 290 HH11 ARG 36 HH21 ARG 36 87.219 7.065 -11.575 291 HH12 ARG 36 HH22 ARG 36 86.904 7.570 -13.201 292 HH21 ARG 36 HH11 ARG 36 90.155 8.625 -13.785 293 HH22 ARG 36 HH12 ARG 36 88.566 8.453 -14.453 294 H GLN 37 HN GLN 37 87.646 1.723 -7.934 295 HA GLN 37 HA GLN 37 87.546 0.682 -5.838 296 HB2 GLN 37 HB2 GLN 37 90.426 1.493 -5.425 297 HB3 GLN 37 HB1 GLN 37 89.588 0.068 -4.811 298 HG2 GLN 37 HG2 GLN 37 89.263 -0.587 -7.282 299 HG3 GLN 37 HG1 GLN 37 90.486 0.634 -7.638 300 HE21 GLN 37 HE21 GLN 37 90.310 -1.620 -4.839 301 HE22 GLN 37 HE22 GLN 37 91.799 -2.370 -5.157 302 H1U RCY 38 H1U RCY 38 83.143 0.573 -2.768 303 H1S RCY 38 H1S RCY 38 86.921 2.779 -4.879 304 HB1 RCY 38 HB1 RCY 38 88.655 6.117 -5.142 305 HB2 RCY 38 HB2 RCY 38 87.853 6.396 -3.597 306 HA RCY 38 HA RCY 38 89.862 4.884 -3.447 307 HN1 RCY 38 HN1 RCY 38 89.859 3.352 -5.256 308 H LYS 39 HN LYS 39 88.938 2.185 -2.699 309 HA LYS 39 HA LYS 39 86.890 2.834 -0.621 310 HB2 LYS 39 HB2 LYS 39 86.451 0.907 -2.167 311 HB3 LYS 39 HB1 LYS 39 87.890 0.117 -1.524 312 HG2 LYS 39 HG2 LYS 39 86.943 0.022 0.691 313 HG3 LYS 39 HG1 LYS 39 85.585 1.041 0.210 314 HD2 LYS 39 HD2 LYS 39 84.623 -1.075 0.077 315 HD3 LYS 39 HD1 LYS 39 85.185 -0.854 -1.580 316 HE2 LYS 39 HE2 LYS 39 85.986 -2.998 -1.026 317 HE3 LYS 39 HE1 LYS 39 87.385 -1.960 -0.747 318 HZ1 LYS 39 HZ1 LYS 39 85.741 -3.404 1.155 319 HZ2 LYS 39 HZ2 LYS 39 86.175 -1.828 1.621 320 HZ3 LYS 39 HZ3 LYS 39 87.378 -2.968 1.244 321 H SER 40 HN SER 40 89.389 0.312 -0.589 322 HA SER 40 HA SER 40 90.879 -0.263 1.141 323 HG SER 40 HG SER 40 92.415 0.701 2.463 324 HB2 SER 40 HB2 SER 40 92.087 1.584 0.011 325 HB3 SER 40 HB1 SER 40 91.296 2.741 1.076 326 H LYS 41 HN LYS 41 91.502 1.938 3.223 327 HA LYS 41 HA LYS 41 88.982 1.922 4.784 328 HB2 LYS 41 HB2 LYS 41 90.295 1.059 6.788 329 HB3 LYS 41 HB1 LYS 41 89.943 -0.133 5.538 330 HG2 LYS 41 HG2 LYS 41 92.427 1.273 4.976 331 HG3 LYS 41 HG1 LYS 41 92.475 0.502 6.562 332 HD2 LYS 41 HD2 LYS 41 91.846 -1.641 5.589 333 HD3 LYS 41 HD1 LYS 41 91.647 -0.896 4.002 334 HE2 LYS 41 HE2 LYS 41 93.966 -0.512 3.761 335 HE3 LYS 41 HE1 LYS 41 94.269 -0.729 5.485 336 HZ1 LYS 41 HZ1 LYS 41 93.759 -3.050 5.288 337 HZ2 LYS 41 HZ2 LYS 41 94.943 -2.653 4.136 338 HZ3 LYS 41 HZ3 LYS 41 93.328 -2.871 3.657 339 HA PRO 42 HA PRO 42 91.373 5.803 5.351 340 HB2 PRO 42 HB2 PRO 42 89.243 7.499 5.323 341 HB3 PRO 42 HB1 PRO 42 89.988 6.873 3.840 342 HG2 PRO 42 HG2 PRO 42 87.482 6.038 5.191 343 HG3 PRO 42 HG1 PRO 42 87.858 6.133 3.464 344 HD2 PRO 42 HD2 PRO 42 87.856 3.782 4.954 345 HD3 PRO 42 HD1 PRO 42 88.711 4.003 3.413 346 HA PRO 43 HA PRO 43 90.777 6.224 9.716 347 HB2 PRO 43 HB2 PRO 43 91.432 8.858 10.125 348 HB3 PRO 43 HB1 PRO 43 92.629 7.597 9.769 349 HG2 PRO 43 HG2 PRO 43 91.421 9.618 7.949 350 HG3 PRO 43 HG1 PRO 43 93.089 9.027 8.034 351 HD2 PRO 43 HD2 PRO 43 91.310 8.159 6.146 352 HD3 PRO 43 HD1 PRO 43 92.632 7.144 6.764 353 H LYS 44 HN LYS 44 89.481 7.381 11.399 354 HA LYS 44 HA LYS 44 87.393 8.158 12.142 355 HB2 LYS 44 HB2 LYS 44 87.632 10.031 9.769 356 HB3 LYS 44 HB1 LYS 44 86.700 10.293 11.244 357 HG2 LYS 44 HG2 LYS 44 88.904 10.102 12.516 358 HG3 LYS 44 HG1 LYS 44 89.709 10.200 10.950 359 HD2 LYS 44 HD2 LYS 44 89.618 12.438 11.816 360 HD3 LYS 44 HD1 LYS 44 88.407 12.341 10.537 361 HE2 LYS 44 HE2 LYS 44 86.636 12.433 12.014 362 HE3 LYS 44 HE1 LYS 44 87.544 11.661 13.314 363 HZ1 LYS 44 HZ1 LYS 44 88.856 14.023 12.786 364 HZ2 LYS 44 HZ2 LYS 44 87.879 13.676 14.132 365 HZ3 LYS 44 HZ3 LYS 44 87.208 14.424 12.762 366 H LYS 45 HN LYS 45 86.278 6.198 11.555 367 HA LYS 45 HA LYS 45 84.473 6.550 9.198 368 HB2 LYS 45 HB2 LYS 45 84.640 4.108 8.776 369 HB3 LYS 45 HB1 LYS 45 86.198 4.912 8.580 370 HG2 LYS 45 HG2 LYS 45 86.644 4.307 11.032 371 HG3 LYS 45 HG1 LYS 45 85.252 3.230 10.906 372 HD2 LYS 45 HD2 LYS 45 86.335 2.123 8.948 373 HD3 LYS 45 HD1 LYS 45 87.755 3.140 9.196 374 HE2 LYS 45 HE2 LYS 45 86.615 1.101 11.126 375 HE3 LYS 45 HE1 LYS 45 88.164 1.018 10.286 376 HZ1 LYS 45 HZ1 LYS 45 87.348 2.920 12.407 377 HZ2 LYS 45 HZ2 LYS 45 88.733 3.146 11.449 378 HZ3 LYS 45 HZ3 LYS 45 88.607 1.784 12.457 379 H GLY 46 HN GLY 46 84.737 6.220 12.481 380 HA2 GLY 46 HA2 GLY 46 82.374 4.504 12.869 381 HA3 GLY 46 HA1 GLY 46 83.311 5.281 14.147 382 H VAL 47 HN VAL 47 80.974 5.766 14.862 383 HA VAL 47 HA VAL 47 79.635 7.913 13.358 384 HB VAL 47 HB VAL 47 78.029 7.838 15.310 385 HG11 VAL 47 HG11 VAL 47 78.632 5.165 14.007 386 HG12 VAL 47 HG12 VAL 47 77.735 6.475 13.239 387 HG13 VAL 47 HG13 VAL 47 77.081 5.678 14.670 388 HG21 VAL 47 HG21 VAL 47 78.281 6.093 16.962 389 HG22 VAL 47 HG22 VAL 47 79.790 7.005 16.926 390 HG23 VAL 47 HG23 VAL 47 79.689 5.436 16.127 391 H GLN 48 HN GLN 48 82.365 8.089 14.901 392 HA GLN 48 HA GLN 48 81.974 9.980 17.023 393 HB2 GLN 48 HB2 GLN 48 84.106 8.592 16.257 394 HB3 GLN 48 HB1 GLN 48 84.452 10.051 15.330 395 HG2 GLN 48 HG2 GLN 48 83.979 9.897 18.322 396 HG3 GLN 48 HG1 GLN 48 85.519 10.215 17.522 397 HE21 GLN 48 HE21 GLN 48 85.768 12.310 16.409 398 HE22 GLN 48 HE22 GLN 48 84.739 13.610 16.773 399 H GLY 49 HN GLY 49 82.515 10.360 13.533 400 HA2 GLY 49 HA2 GLY 49 81.064 12.765 13.298 401 HA3 GLY 49 HA1 GLY 49 82.747 13.220 13.566 402 H1U RCY 50 H1U RCY 50 81.018 5.376 4.901 403 H1S RCY 50 H1S RCY 50 79.060 8.517 8.063 404 HB1 RCY 50 HB1 RCY 50 82.792 9.973 9.969 405 HB2 RCY 50 HB2 RCY 50 82.327 10.077 8.271 406 HA RCY 50 HA RCY 50 82.439 12.332 9.123 407 HN1 RCY 50 HN1 RCY 50 80.477 12.010 11.272 408 H GLY 51 HN GLY 51 79.205 11.693 10.267 409 HA2 GLY 51 HA2 GLY 51 78.053 13.157 8.045 410 HA3 GLY 51 HA1 GLY 51 77.715 11.428 7.934 411 H ASP 52 HN ASP 52 76.496 10.432 9.673 412 HA ASP 52 HA ASP 52 74.588 10.437 11.054 413 HB2 ASP 52 HB2 ASP 52 76.012 12.730 12.424 414 HB3 ASP 52 HB1 ASP 52 74.920 11.551 13.150 415 H ASP 53 HN ASP 53 73.337 11.355 9.178 416 HA ASP 53 HA ASP 53 71.972 13.810 10.031 417 HB2 ASP 53 HB2 ASP 53 72.310 14.958 7.857 418 HB3 ASP 53 HB1 ASP 53 73.833 14.733 8.718 419 H ILE 54 HN ILE 54 72.325 11.141 7.755 420 HA ILE 54 HA ILE 54 69.881 11.461 6.349 421 HB ILE 54 HB ILE 54 71.801 9.828 5.864 422 HG12 ILE 54 HG12 ILE 54 68.989 8.689 5.846 423 HG13 ILE 54 HG11 ILE 54 69.589 9.863 4.675 424 HG21 ILE 54 HG21 ILE 54 71.804 7.713 6.947 425 HG22 ILE 54 HG22 ILE 54 70.228 8.000 7.684 426 HG23 ILE 54 HG23 ILE 54 71.642 8.887 8.254 427 HD11 ILE 54 HD11 ILE 54 69.924 7.780 3.608 428 HD12 ILE 54 HD12 ILE 54 70.480 7.012 5.095 429 HD13 ILE 54 HD13 ILE 54 71.511 8.179 4.267 430 HA PRO 55 HA PRO 55 67.114 10.593 9.769 431 HB2 PRO 55 HB2 PRO 55 64.767 10.536 8.371 432 HB3 PRO 55 HB1 PRO 55 65.620 12.039 8.773 433 HG2 PRO 55 HG2 PRO 55 65.554 10.536 6.209 434 HG3 PRO 55 HG1 PRO 55 65.553 12.283 6.495 435 HD2 PRO 55 HD2 PRO 55 67.794 10.864 5.745 436 HD3 PRO 55 HD1 PRO 55 67.853 12.391 6.653 437 H GLY 56 HN GLY 56 65.645 8.922 6.979 438 HA2 GLY 56 HA2 GLY 56 66.173 6.316 8.336 439 HA3 GLY 56 HA1 GLY 56 64.530 6.725 7.842 440 H MET 57 HN MET 57 67.823 6.582 6.441 441 HA MET 57 HA MET 57 68.482 6.067 4.237 442 HB2 MET 57 HB2 MET 57 66.311 3.976 4.369 443 HB3 MET 57 HB1 MET 57 67.897 3.866 3.605 444 HG2 MET 57 HG2 MET 57 68.905 4.122 5.926 445 HG3 MET 57 HG1 MET 57 67.277 3.906 6.567 446 HE1 MET 57 HE1 MET 57 68.254 0.513 7.536 447 HE2 MET 57 HE2 MET 57 66.743 1.419 7.493 448 HE3 MET 57 HE3 MET 57 68.239 2.233 7.946 449 H GLU 58 HN GLU 58 66.026 7.889 4.622 450 HA GLU 58 HA GLU 58 65.177 7.765 1.770 451 HB2 GLU 58 HB2 GLU 58 63.362 7.823 4.188 452 HB3 GLU 58 HB1 GLU 58 62.825 8.382 2.603 453 HG2 GLU 58 HG2 GLU 58 63.487 6.162 1.653 454 HG3 GLU 58 HG1 GLU 58 63.855 5.615 3.289 455 H GLY 59 HN GLY 59 67.034 9.524 2.385 456 HA2 GLY 59 HA2 GLY 59 65.586 12.105 2.380 457 HA3 GLY 59 HA1 GLY 59 66.820 11.889 3.623 458 H1U RCY 60 H1U RCY 60 76.223 8.516 0.469 459 H1S RCY 60 H1S RCY 60 71.892 10.591 -0.272 460 HB1 RCY 60 HB1 RCY 60 69.956 11.575 -0.050 461 HB2 RCY 60 HB2 RCY 60 70.504 11.622 1.625 462 HA RCY 60 HA RCY 60 70.028 14.193 1.432 463 HN1 RCY 60 HN1 RCY 60 68.262 13.446 2.783 464 H GLY 61 HN GLY 61 68.393 12.013 -0.864 465 HA2 GLY 61 HA2 GLY 61 67.145 14.257 -2.270 466 HA3 GLY 61 HA1 GLY 61 68.493 13.529 -3.146 467 H THR 62 HN THR 62 66.338 11.721 -1.038 468 HA THR 62 HA THR 62 65.242 9.683 -1.561 469 HB THR 62 HB THR 62 63.467 11.349 -1.713 470 HG1 THR 62 HG1 THR 62 62.816 10.042 -3.997 471 HG21 THR 62 HG21 THR 62 64.469 11.673 -4.552 472 HG22 THR 62 HG22 THR 62 64.420 12.903 -3.288 473 HG23 THR 62 HG23 THR 62 62.919 12.299 -3.989 474 H ASP 63 HN ASP 63 67.689 10.102 -3.171 475 HA ASP 63 HA ASP 63 67.199 9.419 -5.913 476 HB2 ASP 63 HB2 ASP 63 69.586 9.052 -4.092 477 HB3 ASP 63 HB1 ASP 63 69.608 8.539 -5.779 478 H ILE 64 HN ILE 64 66.724 7.647 -3.076 479 HA ILE 64 HA ILE 64 67.355 5.015 -4.160 480 HB ILE 64 HB ILE 64 67.480 5.247 -1.775 481 HG12 ILE 64 HG12 ILE 64 64.817 3.883 -2.088 482 HG13 ILE 64 HG11 ILE 64 66.245 3.196 -2.864 483 HG21 ILE 64 HG21 ILE 64 65.179 6.926 -2.195 484 HG22 ILE 64 HG22 ILE 64 66.184 6.777 -0.754 485 HG23 ILE 64 HG23 ILE 64 64.797 5.710 -0.976 486 HD11 ILE 64 HD11 ILE 64 65.789 2.306 -0.541 487 HD12 ILE 64 HD12 ILE 64 66.135 3.922 0.074 488 HD13 ILE 64 HD13 ILE 64 67.394 3.006 -0.754 489 H THR 65 HN THR 65 64.192 5.654 -2.747 490 HA THR 65 HA THR 65 62.065 5.065 -3.546 491 HB THR 65 HB THR 65 63.053 6.079 -6.214 492 HG1 THR 65 HG1 THR 65 63.745 7.558 -4.698 493 HG21 THR 65 HG21 THR 65 60.748 5.187 -6.054 494 HG22 THR 65 HG22 THR 65 60.753 6.921 -6.373 495 HG23 THR 65 HG23 THR 65 60.410 6.325 -4.749 496 H VAL 66 HN VAL 66 63.107 2.763 -3.345 497 HA VAL 66 HA VAL 66 63.218 0.589 -4.210 498 HB VAL 66 HB VAL 66 61.794 1.596 -6.669 499 HG11 VAL 66 HG11 VAL 66 62.495 -0.820 -6.370 500 HG12 VAL 66 HG12 VAL 66 60.764 -0.581 -6.608 501 HG13 VAL 66 HG13 VAL 66 61.397 -0.896 -4.992 502 HG21 VAL 66 HG21 VAL 66 59.683 1.161 -5.215 503 HG22 VAL 66 HG22 VAL 66 60.530 2.693 -5.002 504 HG23 VAL 66 HG23 VAL 66 60.764 1.387 -3.840 505 H ILE 67 HN ILE 67 64.692 3.209 -5.664 506 HA ILE 67 HA ILE 67 66.377 1.390 -7.333 507 HB ILE 67 HB ILE 67 65.493 4.183 -8.124 508 HG12 ILE 67 HG12 ILE 67 64.764 1.524 -9.384 509 HG13 ILE 67 HG11 ILE 67 63.719 2.379 -8.250 510 HG21 ILE 67 HG21 ILE 67 67.693 3.723 -8.984 511 HG22 ILE 67 HG22 ILE 67 66.560 3.473 -10.313 512 HG23 ILE 67 HG23 ILE 67 67.230 2.087 -9.452 513 HD11 ILE 67 HD11 ILE 67 64.708 3.422 -10.919 514 HD12 ILE 67 HD12 ILE 67 63.770 4.366 -9.762 515 HD13 ILE 67 HD13 ILE 67 63.056 2.947 -10.527 516 H1U RCY 68 H1U RCY 68 70.303 2.409 2.260 517 H1S RCY 68 H1S RCY 68 70.176 -0.312 -1.714 518 HB1 RCY 68 HB1 RCY 68 68.438 2.448 -3.230 519 HB2 RCY 68 HB2 RCY 68 70.068 3.104 -3.102 520 HA RCY 68 HA RCY 68 69.199 4.056 -5.094 521 HN1 RCY 68 HN1 RCY 68 68.015 1.392 -5.746 522 HA PRO 69 HA PRO 69 72.758 3.632 -7.631 523 HB2 PRO 69 HB2 PRO 69 74.251 3.630 -5.021 524 HB3 PRO 69 HB1 PRO 69 74.608 4.517 -6.518 525 HG2 PRO 69 HG2 PRO 69 73.394 5.682 -4.439 526 HG3 PRO 69 HG1 PRO 69 73.000 6.105 -6.113 527 HD2 PRO 69 HD2 PRO 69 71.360 4.653 -4.133 528 HD3 PRO 69 HD1 PRO 69 70.857 5.461 -5.633 529 H TRP 70 HN TRP 70 72.654 1.495 -4.761 530 HA TRP 70 HA TRP 70 74.603 -0.372 -5.687 531 HD1 TRP 70 HD1 TRP 70 75.282 -2.421 -5.468 532 HE1 TRP 70 HE1 TRP 70 75.211 -4.958 -5.023 533 HE3 TRP 70 HE3 TRP 70 71.224 -2.660 -2.378 534 HZ2 TRP 70 HZ2 TRP 70 73.638 -6.844 -3.548 535 HZ3 TRP 70 HZ3 TRP 70 70.463 -4.833 -1.469 536 HH2 TRP 70 HH2 TRP 70 71.661 -6.923 -2.047 537 HB2 TRP 70 HB2 TRP 70 73.805 -0.454 -3.382 538 HB3 TRP 70 HB1 TRP 70 72.171 -0.815 -3.932 539 H GLU 71 HN GLU 71 71.742 0.498 -7.112 540 HA GLU 71 HA GLU 71 71.162 -2.198 -8.221 541 HB2 GLU 71 HB2 GLU 71 69.716 0.455 -8.276 542 HB3 GLU 71 HB1 GLU 71 69.252 -0.868 -9.347 543 HG2 GLU 71 HG2 GLU 71 69.531 -1.257 -6.363 544 HG3 GLU 71 HG1 GLU 71 68.018 -0.722 -7.096 545 H ALA 72 HN ALA 72 72.222 1.043 -9.212 546 HA ALA 72 HA ALA 72 72.359 0.331 -12.034 547 HB1 ALA 72 HB1 ALA 72 72.031 2.675 -11.202 548 HB2 ALA 72 HB2 ALA 72 73.376 2.515 -12.332 549 HB3 ALA 72 HB3 ALA 72 73.689 2.647 -10.601 550 H1U RCY 73 H1U RCY 73 75.421 2.714 -3.210 551 H1S RCY 73 H1S RCY 73 76.096 1.337 -6.937 552 HB1 RCY 73 HB1 RCY 73 77.038 1.162 -8.768 553 HB2 RCY 73 HB2 RCY 73 78.249 -0.095 -9.021 554 HA RCY 73 HA RCY 73 76.995 0.024 -11.053 555 HN1 RCY 73 HN1 RCY 73 74.709 0.603 -9.371 556 H ASN 74 HN ASN 74 75.108 -1.866 -11.730 557 HA ASN 74 HA ASN 74 75.310 -4.322 -10.248 558 HB2 ASN 74 HB2 ASN 74 73.525 -3.839 -11.928 559 HB3 ASN 74 HB1 ASN 74 74.737 -3.954 -13.205 560 HD21 ASN 74 HD21 ASN 74 75.759 -6.133 -10.933 561 HD22 ASN 74 HD22 ASN 74 74.982 -7.531 -11.503 562 H HIS 75 HN HIS 75 77.776 -4.007 -9.971 563 HA HIS 75 HA HIS 75 79.115 -5.866 -11.782 564 HD1 HIS 75 HD1 HIS 75 78.708 -1.976 -13.791 565 HD2 HIS 75 HD2 HIS 75 79.525 -6.038 -14.271 566 HE1 HIS 75 HE1 HIS 75 77.837 -2.615 -16.082 567 HE2 HIS 75 HE2 HIS 75 78.328 -5.086 -16.387 568 HB2 HIS 75 HB2 HIS 75 79.803 -2.922 -11.771 569 HB3 HIS 75 HB1 HIS 75 80.987 -4.147 -12.229 570 H1U RCY 76 H1U RCY 76 76.013 -3.704 -1.122 571 H1S RCY 76 H1S RCY 76 77.825 -4.484 -5.114 572 HB1 RCY 76 HB1 RCY 76 78.814 -3.924 -6.725 573 HB2 RCY 76 HB2 RCY 76 80.467 -3.315 -6.678 574 HA RCY 76 HA RCY 76 81.326 -5.155 -7.788 575 HN1 RCY 76 HN1 RCY 76 78.544 -4.829 -8.806 576 H GLU 77 HN GLU 77 78.459 -6.908 -8.283 577 HA GLU 77 HA GLU 77 78.506 -8.642 -6.000 578 HB2 GLU 77 HB2 GLU 77 77.511 -9.147 -8.821 579 HB3 GLU 77 HB1 GLU 77 77.170 -10.180 -7.432 580 HG2 GLU 77 HG2 GLU 77 76.282 -8.013 -6.310 581 HG3 GLU 77 HG1 GLU 77 76.242 -7.359 -7.948 582 H LEU 78 HN LEU 78 80.675 -9.290 -5.633 583 HA LEU 78 HA LEU 78 82.508 -10.733 -5.845 584 HG LEU 78 HG LEU 78 82.061 -14.129 -6.979 585 HB2 LEU 78 HB2 LEU 78 80.445 -12.275 -6.439 586 HB3 LEU 78 HB1 LEU 78 81.102 -12.187 -8.071 587 HD11 LEU 78 HD11 LEU 78 83.524 -12.544 -8.376 588 HD12 LEU 78 HD12 LEU 78 84.371 -13.670 -7.316 589 HD13 LEU 78 HD13 LEU 78 84.185 -11.983 -6.839 590 HD21 LEU 78 HD21 LEU 78 83.404 -12.484 -4.883 591 HD22 LEU 78 HD22 LEU 78 82.856 -14.159 -4.814 592 HD23 LEU 78 HD23 LEU 78 81.693 -12.843 -4.650 593 H HIS 79 HN HIS 79 84.072 -9.387 -6.727 594 HA HIS 79 HA HIS 79 84.865 -9.839 -9.456 595 HD1 HIS 79 HD1 HIS 79 86.490 -8.306 -10.529 596 HD2 HIS 79 HD2 HIS 79 82.877 -7.106 -12.234 597 HE1 HIS 79 HE1 HIS 79 86.960 -7.892 -12.983 598 HE2 HIS 79 HE2 HIS 79 84.769 -7.161 -14.033 599 HB2 HIS 79 HB2 HIS 79 82.853 -8.181 -9.594 600 HB3 HIS 79 HB1 HIS 79 83.997 -6.990 -8.977 601 H GLU 80 HN GLU 80 86.025 -7.027 -9.565 602 HA GLU 80 HA GLU 80 88.477 -7.632 -8.146 603 HB2 GLU 80 HB2 GLU 80 87.477 -5.206 -9.646 604 HB3 GLU 80 HB1 GLU 80 89.043 -5.218 -8.834 605 HG2 GLU 80 HG2 GLU 80 89.625 -7.292 -10.132 606 HG3 GLU 80 HG1 GLU 80 88.124 -7.089 -11.035 607 H LEU 81 HN LEU 81 85.794 -5.350 -7.601 608 HA LEU 81 HA LEU 81 86.897 -4.015 -5.348 609 HG LEU 81 HG LEU 81 84.878 -3.758 -7.816 610 HB2 LEU 81 HB2 LEU 81 83.971 -4.701 -5.738 611 HB3 LEU 81 HB1 LEU 81 84.637 -3.350 -4.820 612 HD11 LEU 81 HD11 LEU 81 82.663 -3.011 -7.289 613 HD12 LEU 81 HD12 LEU 81 83.556 -1.578 -7.800 614 HD13 LEU 81 HD13 LEU 81 83.264 -1.871 -6.085 615 HD21 LEU 81 HD21 LEU 81 86.863 -2.655 -7.181 616 HD22 LEU 81 HD22 LEU 81 86.060 -1.762 -5.889 617 HD23 LEU 81 HD23 LEU 81 85.773 -1.325 -7.574 618 H ALA 82 HN ALA 82 84.952 -6.997 -5.546 619 HA ALA 82 HA ALA 82 84.708 -7.513 -2.768 620 HB1 ALA 82 HB1 ALA 82 84.997 -9.398 -5.127 621 HB2 ALA 82 HB2 ALA 82 83.505 -8.898 -4.332 622 HB3 ALA 82 HB3 ALA 82 84.642 -9.949 -3.490 623 H GLN 83 HN GLN 83 86.577 -10.051 -4.080 624 HA GLN 83 HA GLN 83 88.598 -10.950 -3.252 625 HB2 GLN 83 HB2 GLN 83 89.259 -9.175 -4.986 626 HB3 GLN 83 HB1 GLN 83 89.619 -8.123 -3.618 627 HG2 GLN 83 HG2 GLN 83 91.687 -9.170 -4.116 628 HG3 GLN 83 HG1 GLN 83 91.062 -10.063 -2.729 629 HE21 GLN 83 HE21 GLN 83 91.764 -10.271 -6.177 630 HE22 GLN 83 HE22 GLN 83 91.443 -11.931 -6.330 631 H TYR 84 HN TYR 84 89.313 -7.711 -2.011 632 HA TYR 84 HA TYR 84 89.975 -8.636 0.599 633 HD1 TYR 84 HD1 TYR 84 90.077 -6.135 -2.427 634 HD2 TYR 84 HD2 TYR 84 92.202 -6.500 1.288 635 HE1 TYR 84 HE1 TYR 84 92.225 -5.818 -3.625 636 HE2 TYR 84 HE2 TYR 84 94.350 -6.183 0.090 637 HH TYR 84 HH TYR 84 94.745 -4.862 -2.655 638 HB2 TYR 84 HB2 TYR 84 88.939 -5.893 -0.198 639 HB3 TYR 84 HB1 TYR 84 89.821 -6.278 1.279 640 H GLY 85 HN GLY 85 86.956 -7.847 -0.947 641 HA2 GLY 85 HA2 GLY 85 85.282 -7.424 1.293 642 HA3 GLY 85 HA1 GLY 85 84.743 -8.142 -0.228 643 H ILE 86 HN ILE 86 85.003 -8.744 2.995 644 HA ILE 86 HA ILE 86 84.986 -11.700 2.537 645 HB ILE 86 HB ILE 86 86.455 -10.131 4.673 646 HG12 ILE 86 HG12 ILE 86 87.450 -12.366 2.896 647 HG13 ILE 86 HG11 ILE 86 87.482 -10.680 2.376 648 HG21 ILE 86 HG21 ILE 86 85.543 -11.846 5.969 649 HG22 ILE 86 HG22 ILE 86 87.039 -12.590 5.405 650 HG23 ILE 86 HG23 ILE 86 85.509 -12.982 4.621 651 HD11 ILE 86 HD11 ILE 86 88.761 -10.133 4.474 652 HD12 ILE 86 HD12 ILE 86 89.631 -11.195 3.366 653 HD13 ILE 86 HD13 ILE 86 88.858 -11.863 4.804 654 H1U RCY 87 H1U RCY 87 75.806 -4.745 2.458 655 H1S RCY 87 H1S RCY 87 77.530 -7.315 5.158 656 HB1 RCY 87 HB1 RCY 87 80.829 -8.611 3.279 657 HB2 RCY 87 HB2 RCY 87 81.256 -7.757 4.760 658 HA RCY 87 HA RCY 87 81.951 -9.753 5.840 659 HN1 RCY 87 HN1 RCY 87 83.137 -9.180 3.346 Start of MODEL 5 1 HA MET 1 HA MET 1 61.372 10.009 17.443 2 HB2 MET 1 HB2 MET 1 62.157 9.823 19.828 3 HB3 MET 1 HB1 MET 1 63.486 8.814 19.261 4 HG2 MET 1 HG2 MET 1 63.058 11.447 17.911 5 HG3 MET 1 HG1 MET 1 63.775 11.452 19.522 6 HE1 MET 1 HE1 MET 1 66.972 11.951 17.559 7 HE2 MET 1 HE2 MET 1 66.120 12.276 19.066 8 HE3 MET 1 HE3 MET 1 65.387 12.733 17.531 9 H ASN 2 HN ASN 2 63.324 10.557 16.131 10 HA ASN 2 HA ASN 2 64.944 10.069 14.498 11 HB2 ASN 2 HB2 ASN 2 65.523 8.238 16.368 12 HB3 ASN 2 HB1 ASN 2 64.915 7.143 15.128 13 HD21 ASN 2 HD21 ASN 2 67.553 9.297 15.979 14 HD22 ASN 2 HD22 ASN 2 68.514 8.968 14.619 15 H LEU 3 HN LEU 3 62.462 7.522 14.857 16 HA LEU 3 HA LEU 3 62.385 7.000 11.994 17 HG LEU 3 HG LEU 3 61.538 3.973 13.826 18 HB2 LEU 3 HB2 LEU 3 60.682 6.172 14.344 19 HB3 LEU 3 HB1 LEU 3 60.194 5.791 12.694 20 HD11 LEU 3 HD11 LEU 3 63.185 4.978 11.544 21 HD12 LEU 3 HD12 LEU 3 61.474 4.668 11.248 22 HD13 LEU 3 HD13 LEU 3 62.519 3.369 11.823 23 HD21 LEU 3 HD21 LEU 3 63.859 4.304 14.265 24 HD22 LEU 3 HD22 LEU 3 63.051 5.704 14.969 25 HD23 LEU 3 HD23 LEU 3 63.875 5.850 13.416 26 H GLU 4 HN GLU 4 61.067 7.955 10.484 27 HA GLU 4 HA GLU 4 59.472 10.283 11.374 28 HB2 GLU 4 HB2 GLU 4 60.485 9.286 8.714 29 HB3 GLU 4 HB1 GLU 4 59.221 10.513 8.783 30 HG2 GLU 4 HG2 GLU 4 61.521 11.489 8.643 31 HG3 GLU 4 HG1 GLU 4 60.650 11.982 10.096 32 HA PRO 5 HA PRO 5 55.398 8.597 11.306 33 HB2 PRO 5 HB2 PRO 5 54.950 10.405 8.947 34 HB3 PRO 5 HB1 PRO 5 53.932 10.158 10.379 35 HG2 PRO 5 HG2 PRO 5 55.551 12.283 10.115 36 HG3 PRO 5 HG1 PRO 5 55.196 11.544 11.684 37 HD2 PRO 5 HD2 PRO 5 57.722 11.543 10.171 38 HD3 PRO 5 HD1 PRO 5 57.439 11.159 11.883 39 HA PRO 6 HA PRO 6 55.453 5.468 8.156 40 HB2 PRO 6 HB2 PRO 6 52.804 4.763 8.054 41 HB3 PRO 6 HB1 PRO 6 53.883 4.311 9.388 42 HG2 PRO 6 HG2 PRO 6 51.875 6.502 9.247 43 HG3 PRO 6 HG1 PRO 6 52.275 5.420 10.592 44 HD2 PRO 6 HD2 PRO 6 53.185 7.998 10.442 45 HD3 PRO 6 HD1 PRO 6 54.082 6.703 11.265 46 H LYS 7 HN LYS 7 54.733 4.989 5.942 47 HA LYS 7 HA LYS 7 52.991 6.917 4.584 48 HB2 LYS 7 HB2 LYS 7 54.843 7.492 2.920 49 HB3 LYS 7 HB1 LYS 7 54.979 8.240 4.510 50 HG2 LYS 7 HG2 LYS 7 56.608 6.598 5.217 51 HG3 LYS 7 HG1 LYS 7 56.371 5.660 3.742 52 HD2 LYS 7 HD2 LYS 7 58.315 6.878 3.255 53 HD3 LYS 7 HD1 LYS 7 57.053 7.871 2.525 54 HE2 LYS 7 HE2 LYS 7 58.636 9.234 3.868 55 HE3 LYS 7 HE1 LYS 7 56.996 9.304 4.515 56 HZ1 LYS 7 HZ1 LYS 7 59.340 8.426 5.787 57 HZ2 LYS 7 HZ2 LYS 7 58.270 7.111 5.669 58 HZ3 LYS 7 HZ3 LYS 7 57.773 8.548 6.427 59 H ALA 8 HN ALA 8 55.052 5.918 2.255 60 HA ALA 8 HA ALA 8 53.394 3.505 1.681 61 HB1 ALA 8 HB1 ALA 8 53.368 5.197 -0.073 62 HB2 ALA 8 HB2 ALA 8 54.260 3.789 -0.649 63 HB3 ALA 8 HB3 ALA 8 55.131 5.227 -0.114 64 H GLU 9 HN GLU 9 54.379 1.666 2.392 65 HA GLU 9 HA GLU 9 57.299 1.500 2.600 66 HB2 GLU 9 HB2 GLU 9 55.040 -0.427 3.172 67 HB3 GLU 9 HB1 GLU 9 56.734 -0.910 3.280 68 HG2 GLU 9 HG2 GLU 9 55.827 -0.171 5.477 69 HG3 GLU 9 HG1 GLU 9 57.161 0.845 4.930 70 H1U RCY 10 H1U RCY 10 63.826 -0.860 -2.917 71 H1S RCY 10 H1S RCY 10 60.446 1.866 -2.935 72 HB1 RCY 10 HB1 RCY 10 58.123 -0.126 -2.787 73 HB2 RCY 10 HB2 RCY 10 58.494 -0.391 -1.083 74 HA RCY 10 HA RCY 10 55.930 0.766 -2.217 75 HN1 RCY 10 HN1 RCY 10 55.752 1.694 -0.067 76 H ARG 11 HN ARG 11 54.285 -0.716 -0.532 77 HA ARG 11 HA ARG 11 53.337 -2.847 -0.287 78 HE ARG 11 HE ARG 11 51.921 -3.415 -3.892 79 HB2 ARG 11 HB2 ARG 11 53.365 -2.670 -2.779 80 HB3 ARG 11 HB1 ARG 11 54.950 -3.444 -2.785 81 HG2 ARG 11 HG2 ARG 11 54.004 -5.433 -1.699 82 HG3 ARG 11 HG1 ARG 11 52.419 -4.661 -1.640 83 HD2 ARG 11 HD2 ARG 11 53.964 -5.247 -4.183 84 HD3 ARG 11 HD1 ARG 11 52.631 -6.223 -3.567 85 HH11 ARG 11 HH21 ARG 11 52.284 -6.502 -5.384 86 HH12 ARG 11 HH22 ARG 11 51.133 -6.180 -6.638 87 HH21 ARG 11 HH11 ARG 11 50.416 -2.976 -5.521 88 HH22 ARG 11 HH12 ARG 11 50.075 -4.184 -6.715 89 H SER 12 HN SER 12 56.339 -3.996 -1.792 90 HA SER 12 HA SER 12 56.843 -6.123 -0.097 91 HG SER 12 HG SER 12 59.800 -3.799 -1.364 92 HB2 SER 12 HB2 SER 12 59.320 -5.663 -0.576 93 HB3 SER 12 HB1 SER 12 58.274 -5.846 -1.980 94 H ALA 13 HN ALA 13 58.434 -6.334 1.711 95 HA ALA 13 HA ALA 13 59.118 -5.750 3.877 96 HB1 ALA 13 HB1 ALA 13 60.252 -3.681 4.105 97 HB2 ALA 13 HB2 ALA 13 59.243 -2.898 2.890 98 HB3 ALA 13 HB3 ALA 13 60.442 -4.095 2.401 99 H THR 14 HN THR 14 57.270 -6.064 5.114 100 HA THR 14 HA THR 14 54.907 -4.502 5.034 101 HB THR 14 HB THR 14 56.000 -5.793 7.544 102 HG1 THR 14 HG1 THR 14 54.451 -7.126 5.614 103 HG21 THR 14 HG21 THR 14 53.846 -4.408 7.518 104 HG22 THR 14 HG22 THR 14 53.709 -6.055 8.135 105 HG23 THR 14 HG23 THR 14 53.167 -5.678 6.499 106 H ARG 15 HN ARG 15 57.852 -4.120 6.995 107 HA ARG 15 HA ARG 15 57.322 -1.255 7.248 108 HE ARG 15 HE ARG 15 57.165 -2.601 11.595 109 HB2 ARG 15 HB2 ARG 15 55.954 -2.395 9.087 110 HB3 ARG 15 HB1 ARG 15 57.495 -2.868 9.803 111 HG2 ARG 15 HG2 ARG 15 58.170 -0.566 10.055 112 HG3 ARG 15 HG1 ARG 15 56.782 -0.004 9.123 113 HD2 ARG 15 HD2 ARG 15 56.527 0.208 11.637 114 HD3 ARG 15 HD1 ARG 15 55.245 -0.701 10.837 115 HH11 ARG 15 HH21 ARG 15 55.168 -0.199 13.052 116 HH12 ARG 15 HH22 ARG 15 55.009 -1.051 14.552 117 HH21 ARG 15 HH11 ARG 15 56.969 -3.728 13.544 118 HH22 ARG 15 HH12 ARG 15 56.028 -3.049 14.830 119 H VAL 16 HN VAL 16 59.351 -3.912 7.139 120 HA VAL 16 HA VAL 16 61.708 -2.180 7.633 121 HB VAL 16 HB VAL 16 61.502 -4.937 8.869 122 HG11 VAL 16 HG11 VAL 16 63.768 -3.995 8.340 123 HG12 VAL 16 HG12 VAL 16 63.504 -4.252 10.065 124 HG13 VAL 16 HG13 VAL 16 63.396 -2.627 9.389 125 HG21 VAL 16 HG21 VAL 16 61.277 -3.669 11.037 126 HG22 VAL 16 HG22 VAL 16 59.865 -3.541 9.988 127 HG23 VAL 16 HG23 VAL 16 61.011 -2.205 10.091 128 H MET 17 HN MET 17 61.424 -5.712 7.266 129 HA MET 17 HA MET 17 61.975 -5.721 4.437 130 HB2 MET 17 HB2 MET 17 64.183 -4.909 5.424 131 HB3 MET 17 HB1 MET 17 64.328 -6.498 6.176 132 HG2 MET 17 HG2 MET 17 65.516 -6.648 4.108 133 HG3 MET 17 HG1 MET 17 63.986 -7.485 3.846 134 HE1 MET 17 HE1 MET 17 66.382 -5.513 2.097 135 HE2 MET 17 HE2 MET 17 66.098 -4.357 3.395 136 HE3 MET 17 HE3 MET 17 65.700 -3.923 1.735 137 H GLY 18 HN GLY 18 61.531 -7.761 3.648 138 HA2 GLY 18 HA2 GLY 18 62.079 -10.261 4.579 139 HA3 GLY 18 HA1 GLY 18 60.715 -9.802 5.599 140 H GLY 19 HN GLY 19 59.898 -11.811 4.298 141 HA2 GLY 19 HA2 GLY 19 58.091 -12.407 2.880 142 HA3 GLY 19 HA1 GLY 19 58.117 -10.776 2.209 143 HA PRO 20 HA PRO 20 59.784 -14.082 -0.825 144 HB2 PRO 20 HB2 PRO 20 58.214 -12.181 -2.531 145 HB3 PRO 20 HB1 PRO 20 58.353 -13.947 -2.647 146 HG2 PRO 20 HG2 PRO 20 56.189 -12.785 -1.617 147 HG3 PRO 20 HG1 PRO 20 56.819 -14.311 -0.975 148 HD2 PRO 20 HD2 PRO 20 56.921 -11.588 0.223 149 HD3 PRO 20 HD1 PRO 20 56.932 -13.175 1.022 150 H1U RCY 21 H1U RCY 21 62.693 -6.361 -2.059 151 H1S RCY 21 H1S RCY 21 63.487 -10.305 -0.747 152 HB1 RCY 21 HB1 RCY 21 64.526 -13.238 -2.316 153 HB2 RCY 21 HB2 RCY 21 64.033 -12.935 -0.650 154 HA RCY 21 HA RCY 21 62.772 -10.874 -1.743 155 HN1 RCY 21 HN1 RCY 21 61.873 -13.650 -1.393 156 H THR 22 HN THR 22 62.548 -9.902 -3.693 157 HA THR 22 HA THR 22 62.946 -11.558 -6.157 158 HB THR 22 HB THR 22 60.981 -9.270 -5.900 159 HG1 THR 22 HG1 THR 22 60.679 -12.062 -5.609 160 HG21 THR 22 HG21 THR 22 60.096 -10.311 -8.008 161 HG22 THR 22 HG22 THR 22 61.486 -11.397 -7.998 162 HG23 THR 22 HG23 THR 22 61.726 -9.658 -8.171 163 HA PRO 23 HA PRO 23 66.185 -8.288 -6.217 164 HB2 PRO 23 HB2 PRO 23 66.777 -9.833 -8.712 165 HB3 PRO 23 HB1 PRO 23 67.884 -9.271 -7.444 166 HG2 PRO 23 HG2 PRO 23 67.145 -11.823 -7.612 167 HG3 PRO 23 HG1 PRO 23 67.383 -11.029 -6.046 168 HD2 PRO 23 HD2 PRO 23 64.832 -11.797 -7.397 169 HD3 PRO 23 HD1 PRO 23 65.206 -11.697 -5.662 170 H ARG 24 HN ARG 24 66.957 -6.948 -8.306 171 HA ARG 24 HA ARG 24 64.948 -6.598 -10.380 172 HE ARG 24 HE ARG 24 63.470 -2.851 -7.368 173 HB2 ARG 24 HB2 ARG 24 63.979 -5.472 -8.278 174 HB3 ARG 24 HB1 ARG 24 65.267 -4.282 -8.465 175 HG2 ARG 24 HG2 ARG 24 64.487 -3.716 -10.700 176 HG3 ARG 24 HG1 ARG 24 63.272 -4.993 -10.634 177 HD2 ARG 24 HD2 ARG 24 62.463 -2.612 -10.110 178 HD3 ARG 24 HD1 ARG 24 62.025 -3.867 -8.951 179 HH11 ARG 24 HH21 ARG 24 63.900 -1.623 -10.561 180 HH12 ARG 24 HH22 ARG 24 64.924 -0.317 -10.064 181 HH21 ARG 24 HH11 ARG 24 64.804 -1.152 -6.701 182 HH22 ARG 24 HH12 ARG 24 65.436 -0.051 -7.879 183 H LYS 25 HN LYS 25 67.344 -7.090 -11.114 184 HA LYS 25 HA LYS 25 69.435 -5.252 -11.007 185 HB2 LYS 25 HB2 LYS 25 70.047 -6.059 -13.309 186 HB3 LYS 25 HB1 LYS 25 69.718 -7.360 -12.165 187 HG2 LYS 25 HG2 LYS 25 67.317 -6.428 -13.577 188 HG3 LYS 25 HG1 LYS 25 68.541 -7.102 -14.654 189 HD2 LYS 25 HD2 LYS 25 68.667 -9.119 -13.197 190 HD3 LYS 25 HD1 LYS 25 67.367 -8.455 -12.207 191 HE2 LYS 25 HE2 LYS 25 67.249 -9.369 -15.081 192 HE3 LYS 25 HE1 LYS 25 66.263 -9.905 -13.720 193 HZ1 LYS 25 HZ1 LYS 25 65.222 -7.756 -13.629 194 HZ2 LYS 25 HZ2 LYS 25 65.082 -8.374 -15.206 195 HZ3 LYS 25 HZ3 LYS 25 66.225 -7.165 -14.863 196 H GLY 26 HN GLY 26 70.122 -3.768 -12.910 197 HA2 GLY 26 HA2 GLY 26 68.572 -2.566 -14.802 198 HA3 GLY 26 HA1 GLY 26 67.951 -1.832 -13.323 199 HA PRO 27 HA PRO 27 71.861 0.306 -15.295 200 HB2 PRO 27 HB2 PRO 27 69.893 2.528 -14.874 201 HB3 PRO 27 HB1 PRO 27 71.091 2.315 -16.166 202 HG2 PRO 27 HG2 PRO 27 68.499 1.806 -16.553 203 HG3 PRO 27 HG1 PRO 27 69.769 0.853 -17.336 204 HD2 PRO 27 HD2 PRO 27 67.939 0.076 -15.135 205 HD3 PRO 27 HD1 PRO 27 68.805 -0.951 -16.298 206 HA PRO 28 HA PRO 28 73.046 0.882 -10.957 207 HB2 PRO 28 HB2 PRO 28 75.058 2.658 -12.296 208 HB3 PRO 28 HB1 PRO 28 75.303 1.422 -11.046 209 HG2 PRO 28 HG2 PRO 28 75.906 0.965 -13.604 210 HG3 PRO 28 HG1 PRO 28 75.256 -0.307 -12.558 211 HD2 PRO 28 HD2 PRO 28 73.928 1.147 -14.786 212 HD3 PRO 28 HD1 PRO 28 73.586 -0.469 -14.130 213 H LYS 29 HN LYS 29 73.309 2.781 -9.469 214 HA LYS 29 HA LYS 29 71.858 5.195 -10.500 215 HB2 LYS 29 HB2 LYS 29 71.704 3.737 -7.863 216 HB3 LYS 29 HB1 LYS 29 71.217 5.426 -7.993 217 HG2 LYS 29 HG2 LYS 29 70.117 3.737 -10.131 218 HG3 LYS 29 HG1 LYS 29 69.581 3.260 -8.519 219 HD2 LYS 29 HD2 LYS 29 68.027 4.914 -9.361 220 HD3 LYS 29 HD1 LYS 29 68.984 5.667 -8.085 221 HE2 LYS 29 HE2 LYS 29 70.368 6.809 -9.672 222 HE3 LYS 29 HE1 LYS 29 69.720 5.864 -11.013 223 HZ1 LYS 29 HZ1 LYS 29 68.088 7.319 -11.244 224 HZ2 LYS 29 HZ2 LYS 29 68.772 8.279 -10.020 225 HZ3 LYS 29 HZ3 LYS 29 67.605 7.106 -9.632 226 H1U RCY 30 H1U RCY 30 78.786 4.207 -9.225 227 H1S RCY 30 H1S RCY 30 77.810 7.820 -7.746 228 HB1 RCY 30 HB1 RCY 30 75.195 6.258 -7.085 229 HB2 RCY 30 HB2 RCY 30 73.946 7.276 -6.371 230 HA RCY 30 HA RCY 30 73.999 8.721 -8.393 231 HN1 RCY 30 HN1 RCY 30 72.360 7.170 -9.044 232 H LYS 31 HN LYS 31 74.529 6.497 -10.677 233 HA LYS 31 HA LYS 31 76.253 6.076 -12.215 234 HB2 LYS 31 HB2 LYS 31 75.818 8.737 -12.138 235 HB3 LYS 31 HB1 LYS 31 77.497 8.722 -11.602 236 HG2 LYS 31 HG2 LYS 31 77.796 8.801 -13.904 237 HG3 LYS 31 HG1 LYS 31 77.794 7.056 -13.644 238 HD2 LYS 31 HD2 LYS 31 75.385 6.976 -14.178 239 HD3 LYS 31 HD1 LYS 31 75.387 8.720 -14.445 240 HE2 LYS 31 HE2 LYS 31 76.923 6.637 -16.023 241 HE3 LYS 31 HE1 LYS 31 75.587 7.634 -16.601 242 HZ1 LYS 31 HZ1 LYS 31 77.610 8.609 -17.339 243 HZ2 LYS 31 HZ2 LYS 31 78.287 8.551 -15.782 244 HZ3 LYS 31 HZ3 LYS 31 76.992 9.602 -16.110 245 H GLN 32 HN GLN 32 78.844 6.397 -12.408 246 HA GLN 32 HA GLN 32 79.920 5.031 -10.066 247 HB2 GLN 32 HB2 GLN 32 80.612 5.308 -12.827 248 HB3 GLN 32 HB1 GLN 32 81.995 5.857 -11.886 249 HG2 GLN 32 HG2 GLN 32 80.548 3.239 -11.395 250 HG3 GLN 32 HG1 GLN 32 82.020 3.389 -12.356 251 HE21 GLN 32 HE21 GLN 32 83.992 3.391 -11.224 252 HE22 GLN 32 HE22 GLN 32 84.125 3.501 -9.536 253 H ARG 33 HN ARG 33 82.596 6.290 -10.277 254 HA ARG 33 HA ARG 33 83.774 8.179 -9.496 255 HE ARG 33 HE ARG 33 82.516 10.876 -12.227 256 HB2 ARG 33 HB2 ARG 33 81.631 9.369 -10.657 257 HB3 ARG 33 HB1 ARG 33 81.315 9.785 -8.974 258 HG2 ARG 33 HG2 ARG 33 83.527 10.783 -8.757 259 HG3 ARG 33 HG1 ARG 33 83.953 10.268 -10.390 260 HD2 ARG 33 HD2 ARG 33 81.553 12.025 -9.884 261 HD3 ARG 33 HD1 ARG 33 83.165 12.713 -10.078 262 HH11 ARG 33 HH21 ARG 33 82.083 14.050 -10.953 263 HH12 ARG 33 HH22 ARG 33 81.800 14.776 -12.500 264 HH21 ARG 33 HH11 ARG 33 82.149 11.806 -14.254 265 HH22 ARG 33 HH12 ARG 33 81.837 13.505 -14.369 266 H GLN 34 HN GLN 34 83.191 9.860 -7.372 267 HA GLN 34 HA GLN 34 83.186 9.800 -5.025 268 HB2 GLN 34 HB2 GLN 34 80.793 8.126 -5.786 269 HB3 GLN 34 HB1 GLN 34 81.217 8.383 -4.094 270 HG2 GLN 34 HG2 GLN 34 81.174 10.845 -4.494 271 HG3 GLN 34 HG1 GLN 34 80.639 10.540 -6.147 272 HE21 GLN 34 HE21 GLN 34 79.448 11.300 -3.126 273 HE22 GLN 34 HE22 GLN 34 77.883 10.662 -3.277 274 H THR 35 HN THR 35 84.664 7.651 -6.632 275 HA THR 35 HA THR 35 84.602 5.317 -4.854 276 HB THR 35 HB THR 35 86.701 5.916 -6.945 277 HG1 THR 35 HG1 THR 35 85.271 5.597 -8.437 278 HG21 THR 35 HG21 THR 35 85.455 3.281 -6.158 279 HG22 THR 35 HG22 THR 35 86.845 3.949 -5.302 280 HG23 THR 35 HG23 THR 35 86.970 3.557 -7.017 281 H ARG 36 HN ARG 36 85.685 5.295 -2.948 282 HA ARG 36 HA ARG 36 87.847 7.278 -2.501 283 HE ARG 36 HE ARG 36 87.725 9.903 1.625 284 HB2 ARG 36 HB2 ARG 36 85.845 6.715 -0.876 285 HB3 ARG 36 HB1 ARG 36 86.865 5.358 -0.404 286 HG2 ARG 36 HG2 ARG 36 87.624 6.970 1.081 287 HG3 ARG 36 HG1 ARG 36 88.733 7.241 -0.264 288 HD2 ARG 36 HD2 ARG 36 87.237 9.018 -1.126 289 HD3 ARG 36 HD1 ARG 36 86.162 8.766 0.249 290 HH11 ARG 36 HH21 ARG 36 89.005 9.086 -1.470 291 HH12 ARG 36 HH22 ARG 36 90.443 10.031 -1.273 292 HH21 ARG 36 HH11 ARG 36 89.596 11.141 1.901 293 HH22 ARG 36 HH12 ARG 36 90.778 11.195 0.635 294 H GLN 37 HN GLN 37 88.000 4.613 -4.075 295 HA GLN 37 HA GLN 37 89.581 2.907 -4.370 296 HB2 GLN 37 HB2 GLN 37 91.277 4.683 -2.587 297 HB3 GLN 37 HB1 GLN 37 91.865 3.425 -3.674 298 HG2 GLN 37 HG2 GLN 37 90.237 5.792 -4.626 299 HG3 GLN 37 HG1 GLN 37 92.000 5.791 -4.593 300 HE21 GLN 37 HE21 GLN 37 89.184 4.121 -6.038 301 HE22 GLN 37 HE22 GLN 37 90.038 3.490 -7.363 302 H1U RCY 38 H1U RCY 38 83.400 -0.404 -1.068 303 H1S RCY 38 H1S RCY 38 87.485 -0.704 0.403 304 HB1 RCY 38 HB1 RCY 38 88.097 1.733 -0.252 305 HB2 RCY 38 HB2 RCY 38 88.456 2.890 1.029 306 HA RCY 38 HA RCY 38 90.814 2.512 0.832 307 HN1 RCY 38 HN1 RCY 38 90.645 3.832 -1.105 308 H LYS 39 HN LYS 39 92.596 1.225 0.088 309 HA LYS 39 HA LYS 39 92.323 -1.086 -1.564 310 HB2 LYS 39 HB2 LYS 39 94.434 0.279 -0.518 311 HB3 LYS 39 HB1 LYS 39 94.436 -1.140 0.524 312 HG2 LYS 39 HG2 LYS 39 94.463 -2.608 -1.455 313 HG3 LYS 39 HG1 LYS 39 94.446 -1.193 -2.508 314 HD2 LYS 39 HD2 LYS 39 96.560 -0.509 -1.053 315 HD3 LYS 39 HD1 LYS 39 96.656 -2.250 -0.788 316 HE2 LYS 39 HE2 LYS 39 96.665 -2.639 -3.212 317 HE3 LYS 39 HE1 LYS 39 96.514 -0.906 -3.504 318 HZ1 LYS 39 HZ1 LYS 39 98.645 -1.191 -1.786 319 HZ2 LYS 39 HZ2 LYS 39 98.713 -0.817 -3.442 320 HZ3 LYS 39 HZ3 LYS 39 98.838 -2.431 -2.927 321 H SER 40 HN SER 40 93.781 -2.866 0.446 322 HA SER 40 HA SER 40 91.304 -3.943 1.713 323 HG SER 40 HG SER 40 93.325 -5.956 -0.573 324 HB2 SER 40 HB2 SER 40 93.959 -5.350 1.375 325 HB3 SER 40 HB1 SER 40 92.395 -6.075 1.737 326 H LYS 41 HN LYS 41 94.336 -2.453 2.474 327 HA LYS 41 HA LYS 41 95.013 -3.480 4.960 328 HB2 LYS 41 HB2 LYS 41 95.317 -0.812 5.469 329 HB3 LYS 41 HB1 LYS 41 96.453 -1.762 4.514 330 HG2 LYS 41 HG2 LYS 41 95.569 -1.002 2.470 331 HG3 LYS 41 HG1 LYS 41 94.052 -0.490 3.212 332 HD2 LYS 41 HD2 LYS 41 96.682 0.786 3.965 333 HD3 LYS 41 HD1 LYS 41 95.738 1.362 2.591 334 HE2 LYS 41 HE2 LYS 41 94.318 2.454 3.953 335 HE3 LYS 41 HE1 LYS 41 94.023 0.989 4.888 336 HZ1 LYS 41 HZ1 LYS 41 95.814 3.194 5.425 337 HZ2 LYS 41 HZ2 LYS 41 96.486 1.656 5.692 338 HZ3 LYS 41 HZ3 LYS 41 95.064 2.117 6.500 339 HA PRO 42 HA PRO 42 91.245 -2.749 7.273 340 HB2 PRO 42 HB2 PRO 42 92.096 -3.605 9.710 341 HB3 PRO 42 HB1 PRO 42 91.760 -4.724 8.373 342 HG2 PRO 42 HG2 PRO 42 94.374 -3.696 9.355 343 HG3 PRO 42 HG1 PRO 42 93.935 -5.320 8.799 344 HD2 PRO 42 HD2 PRO 42 95.269 -3.479 7.235 345 HD3 PRO 42 HD1 PRO 42 94.265 -4.790 6.578 346 HA PRO 43 HA PRO 43 91.783 1.168 9.280 347 HB2 PRO 43 HB2 PRO 43 89.798 1.115 11.166 348 HB3 PRO 43 HB1 PRO 43 89.482 1.306 9.430 349 HG2 PRO 43 HG2 PRO 43 89.261 -1.127 11.130 350 HG3 PRO 43 HG1 PRO 43 88.207 -0.561 9.823 351 HD2 PRO 43 HD2 PRO 43 90.066 -2.545 9.481 352 HD3 PRO 43 HD1 PRO 43 89.548 -1.466 8.167 353 H LYS 44 HN LYS 44 92.378 2.204 11.363 354 HA LYS 44 HA LYS 44 94.003 0.388 13.013 355 HB2 LYS 44 HB2 LYS 44 93.665 3.385 12.864 356 HB3 LYS 44 HB1 LYS 44 94.562 2.633 14.182 357 HG2 LYS 44 HG2 LYS 44 95.210 1.810 11.378 358 HG3 LYS 44 HG1 LYS 44 95.798 3.372 11.948 359 HD2 LYS 44 HD2 LYS 44 96.962 2.344 13.792 360 HD3 LYS 44 HD1 LYS 44 96.219 0.780 13.457 361 HE2 LYS 44 HE2 LYS 44 98.525 0.853 12.587 362 HE3 LYS 44 HE1 LYS 44 97.363 0.706 11.269 363 HZ1 LYS 44 HZ1 LYS 44 98.906 3.073 12.115 364 HZ2 LYS 44 HZ2 LYS 44 97.468 3.248 11.228 365 HZ3 LYS 44 HZ3 LYS 44 98.775 2.385 10.570 366 H LYS 45 HN LYS 45 90.832 0.988 13.039 367 HA LYS 45 HA LYS 45 90.492 1.592 15.899 368 HB2 LYS 45 HB2 LYS 45 88.525 0.874 13.706 369 HB3 LYS 45 HB1 LYS 45 88.053 1.230 15.367 370 HG2 LYS 45 HG2 LYS 45 89.807 3.179 13.912 371 HG3 LYS 45 HG1 LYS 45 88.079 3.156 13.558 372 HD2 LYS 45 HD2 LYS 45 88.941 3.164 16.424 373 HD3 LYS 45 HD1 LYS 45 89.040 4.672 15.515 374 HE2 LYS 45 HE2 LYS 45 86.530 3.010 15.435 375 HE3 LYS 45 HE1 LYS 45 86.822 4.123 16.771 376 HZ1 LYS 45 HZ1 LYS 45 87.121 5.907 15.156 377 HZ2 LYS 45 HZ2 LYS 45 85.582 5.200 15.017 378 HZ3 LYS 45 HZ3 LYS 45 86.795 4.830 13.887 379 H GLY 46 HN GLY 46 88.563 -0.900 14.360 380 HA2 GLY 46 HA2 GLY 46 89.953 -3.197 15.297 381 HA3 GLY 46 HA1 GLY 46 88.820 -2.699 16.554 382 H VAL 47 HN VAL 47 87.734 -4.784 16.096 383 HA VAL 47 HA VAL 47 86.462 -5.175 13.502 384 HB VAL 47 HB VAL 47 85.144 -6.933 14.940 385 HG11 VAL 47 HG11 VAL 47 87.209 -8.417 14.921 386 HG12 VAL 47 HG12 VAL 47 88.124 -7.000 14.409 387 HG13 VAL 47 HG13 VAL 47 86.835 -7.634 13.386 388 HG21 VAL 47 HG21 VAL 47 86.088 -7.478 17.055 389 HG22 VAL 47 HG22 VAL 47 85.924 -5.722 17.076 390 HG23 VAL 47 HG23 VAL 47 87.499 -6.457 16.775 391 H GLN 48 HN GLN 48 84.369 -5.698 16.177 392 HA GLN 48 HA GLN 48 82.152 -4.373 15.168 393 HB2 GLN 48 HB2 GLN 48 82.983 -4.691 18.066 394 HB3 GLN 48 HB1 GLN 48 81.376 -4.172 17.554 395 HG2 GLN 48 HG2 GLN 48 82.631 -6.735 16.559 396 HG3 GLN 48 HG1 GLN 48 81.656 -6.674 18.028 397 HE21 GLN 48 HE21 GLN 48 81.188 -7.795 15.125 398 HE22 GLN 48 HE22 GLN 48 79.641 -7.212 14.743 399 H GLY 49 HN GLY 49 82.686 -2.365 14.211 400 HA2 GLY 49 HA2 GLY 49 82.233 0.001 15.470 401 HA3 GLY 49 HA1 GLY 49 83.936 -0.264 15.846 402 H1U RCY 50 H1U RCY 50 77.548 0.603 7.194 403 H1S RCY 50 H1S RCY 50 80.382 1.573 10.036 404 HB1 RCY 50 HB1 RCY 50 82.976 2.865 10.691 405 HB2 RCY 50 HB2 RCY 50 81.973 2.500 12.095 406 HA RCY 50 HA RCY 50 84.706 1.263 11.802 407 HN1 RCY 50 HN1 RCY 50 83.490 1.939 14.396 408 H GLY 51 HN GLY 51 84.492 3.804 10.643 409 HA2 GLY 51 HA2 GLY 51 85.238 5.829 12.623 410 HA3 GLY 51 HA1 GLY 51 86.582 5.272 11.625 411 H ASP 52 HN ASP 52 86.929 6.937 10.207 412 HA ASP 52 HA ASP 52 86.500 8.489 8.499 413 HB2 ASP 52 HB2 ASP 52 85.678 6.293 7.469 414 HB3 ASP 52 HB1 ASP 52 84.051 6.815 7.909 415 H ASP 53 HN ASP 53 85.909 10.415 9.444 416 HA ASP 53 HA ASP 53 84.527 12.056 10.414 417 HB2 ASP 53 HB2 ASP 53 82.532 10.704 8.568 418 HB3 ASP 53 HB1 ASP 53 82.345 12.309 9.276 419 H ILE 54 HN ILE 54 81.603 10.298 10.038 420 HA ILE 54 HA ILE 54 80.830 10.386 12.714 421 HB ILE 54 HB ILE 54 80.113 8.535 10.447 422 HG12 ILE 54 HG12 ILE 54 78.405 10.440 12.067 423 HG13 ILE 54 HG11 ILE 54 79.318 10.955 10.648 424 HG21 ILE 54 HG21 ILE 54 79.255 8.354 13.337 425 HG22 ILE 54 HG22 ILE 54 79.831 7.062 12.285 426 HG23 ILE 54 HG23 ILE 54 78.232 7.759 12.030 427 HD11 ILE 54 HD11 ILE 54 77.395 8.623 10.569 428 HD12 ILE 54 HD12 ILE 54 78.092 9.502 9.208 429 HD13 ILE 54 HD13 ILE 54 76.885 10.277 10.233 430 HA PRO 55 HA PRO 55 83.748 7.424 14.425 431 HB2 PRO 55 HB2 PRO 55 82.831 7.432 16.999 432 HB3 PRO 55 HB1 PRO 55 83.801 8.750 16.315 433 HG2 PRO 55 HG2 PRO 55 80.860 8.599 16.735 434 HG3 PRO 55 HG1 PRO 55 81.965 9.964 16.963 435 HD2 PRO 55 HD2 PRO 55 80.351 9.682 14.754 436 HD3 PRO 55 HD1 PRO 55 81.892 10.567 14.733 437 H GLY 56 HN GLY 56 81.333 6.417 13.062 438 HA2 GLY 56 HA2 GLY 56 80.435 4.237 12.846 439 HA3 GLY 56 HA1 GLY 56 81.217 3.801 14.366 440 H MET 57 HN MET 57 78.813 6.325 13.550 441 HA MET 57 HA MET 57 77.296 5.620 15.972 442 HB2 MET 57 HB2 MET 57 77.685 8.006 15.094 443 HB3 MET 57 HB1 MET 57 76.486 7.624 13.858 444 HG2 MET 57 HG2 MET 57 74.965 6.894 15.801 445 HG3 MET 57 HG1 MET 57 76.111 7.723 16.854 446 HE1 MET 57 HE1 MET 57 75.749 10.118 17.535 447 HE2 MET 57 HE2 MET 57 75.798 11.344 16.271 448 HE3 MET 57 HE3 MET 57 77.017 10.073 16.304 449 H GLU 58 HN GLU 58 77.235 4.919 12.589 450 HA GLU 58 HA GLU 58 75.732 3.677 11.284 451 HB2 GLU 58 HB2 GLU 58 74.670 2.645 13.923 452 HB3 GLU 58 HB1 GLU 58 74.689 1.817 12.365 453 HG2 GLU 58 HG2 GLU 58 77.235 1.990 12.458 454 HG3 GLU 58 HG1 GLU 58 77.045 2.474 14.143 455 H GLY 59 HN GLY 59 74.913 6.285 11.727 456 HA2 GLY 59 HA2 GLY 59 72.012 5.999 11.468 457 HA3 GLY 59 HA1 GLY 59 72.511 6.911 12.893 458 H1U RCY 60 H1U RCY 60 76.169 6.271 2.687 459 H1S RCY 60 H1S RCY 60 76.573 6.099 6.765 460 HB1 RCY 60 HB1 RCY 60 74.238 9.335 7.011 461 HB2 RCY 60 HB2 RCY 60 73.368 7.801 6.996 462 HA RCY 60 HA RCY 60 73.770 9.649 9.366 463 HN1 RCY 60 HN1 RCY 60 72.943 6.808 9.352 464 H GLY 61 HN GLY 61 70.897 7.907 9.280 465 HA2 GLY 61 HA2 GLY 61 68.944 9.644 9.287 466 HA3 GLY 61 HA1 GLY 61 69.494 9.969 7.642 467 H THR 62 HN THR 62 68.723 7.105 9.648 468 HA THR 62 HA THR 62 67.648 5.104 9.066 469 HB THR 62 HB THR 62 65.602 5.484 7.560 470 HG1 THR 62 HG1 THR 62 65.430 7.358 6.660 471 HG21 THR 62 HG21 THR 62 64.512 6.963 9.358 472 HG22 THR 62 HG22 THR 62 66.097 6.988 10.131 473 HG23 THR 62 HG23 THR 62 65.249 5.458 9.907 474 H ASP 63 HN ASP 63 69.660 6.601 7.011 475 HA ASP 63 HA ASP 63 69.066 5.297 4.497 476 HB2 ASP 63 HB2 ASP 63 71.517 6.639 5.645 477 HB3 ASP 63 HB1 ASP 63 71.565 5.835 4.076 478 H ILE 64 HN ILE 64 68.774 3.323 6.365 479 HA ILE 64 HA ILE 64 71.004 1.502 5.664 480 HB ILE 64 HB ILE 64 71.681 2.301 7.843 481 HG12 ILE 64 HG12 ILE 64 70.284 -0.242 8.587 482 HG13 ILE 64 HG11 ILE 64 71.453 -0.287 7.266 483 HG21 ILE 64 HG21 ILE 64 70.124 3.119 9.246 484 HG22 ILE 64 HG22 ILE 64 69.564 1.473 9.540 485 HG23 ILE 64 HG23 ILE 64 68.835 2.435 8.255 486 HD11 ILE 64 HD11 ILE 64 72.080 0.937 9.961 487 HD12 ILE 64 HD12 ILE 64 73.213 0.523 8.674 488 HD13 ILE 64 HD13 ILE 64 72.404 -0.754 9.583 489 H THR 65 HN THR 65 68.767 0.653 8.179 490 HA THR 65 HA THR 65 67.752 -1.605 6.783 491 HB THR 65 HB THR 65 66.211 -0.195 8.961 492 HG1 THR 65 HG1 THR 65 68.515 -0.316 9.416 493 HG21 THR 65 HG21 THR 65 65.230 -2.218 7.985 494 HG22 THR 65 HG22 THR 65 65.758 -2.539 9.636 495 HG23 THR 65 HG23 THR 65 66.727 -3.103 8.275 496 H VAL 66 HN VAL 66 65.750 1.203 7.763 497 HA VAL 66 HA VAL 66 63.589 0.753 6.070 498 HB VAL 66 HB VAL 66 64.736 3.517 6.523 499 HG11 VAL 66 HG11 VAL 66 61.860 2.578 6.495 500 HG12 VAL 66 HG12 VAL 66 62.696 3.110 5.036 501 HG13 VAL 66 HG13 VAL 66 62.460 4.232 6.376 502 HG21 VAL 66 HG21 VAL 66 63.233 1.689 8.415 503 HG22 VAL 66 HG22 VAL 66 63.327 3.435 8.644 504 HG23 VAL 66 HG23 VAL 66 64.797 2.461 8.681 505 H ILE 67 HN ILE 67 66.484 2.701 5.281 506 HA ILE 67 HA ILE 67 66.035 2.017 2.407 507 HB ILE 67 HB ILE 67 66.687 4.754 3.543 508 HG12 ILE 67 HG12 ILE 67 64.395 3.883 1.763 509 HG13 ILE 67 HG11 ILE 67 64.271 3.957 3.521 510 HG21 ILE 67 HG21 ILE 67 68.018 4.499 1.575 511 HG22 ILE 67 HG22 ILE 67 66.583 5.391 1.069 512 HG23 ILE 67 HG23 ILE 67 66.718 3.668 0.720 513 HD11 ILE 67 HD11 ILE 67 64.666 6.315 3.544 514 HD12 ILE 67 HD12 ILE 67 63.478 6.036 2.271 515 HD13 ILE 67 HD13 ILE 67 65.169 6.316 1.854 516 H1U RCY 68 H1U RCY 68 74.016 3.792 1.623 517 H1S RCY 68 H1S RCY 68 72.180 1.077 4.992 518 HB1 RCY 68 HB1 RCY 68 70.529 -1.133 2.201 519 HB2 RCY 68 HB2 RCY 68 69.090 -1.102 3.217 520 HA RCY 68 HA RCY 68 70.390 1.429 3.479 521 HN1 RCY 68 HN1 RCY 68 67.753 0.491 2.549 522 HA PRO 69 HA PRO 69 71.928 3.011 -0.359 523 HB2 PRO 69 HB2 PRO 69 74.196 1.116 0.160 524 HB3 PRO 69 HB1 PRO 69 74.244 2.831 -0.295 525 HG2 PRO 69 HG2 PRO 69 74.649 1.993 2.227 526 HG3 PRO 69 HG1 PRO 69 73.896 3.548 1.843 527 HD2 PRO 69 HD2 PRO 69 72.669 1.138 3.015 528 HD3 PRO 69 HD1 PRO 69 72.066 2.809 2.995 529 H TRP 70 HN TRP 70 71.749 -0.450 0.241 530 HA TRP 70 HA TRP 70 72.300 -1.369 -2.405 531 HD1 TRP 70 HD1 TRP 70 72.028 -3.245 -3.695 532 HE1 TRP 70 HE1 TRP 70 70.699 -5.191 -4.737 533 HE3 TRP 70 HE3 TRP 70 69.003 -4.450 0.238 534 HZ2 TRP 70 HZ2 TRP 70 68.622 -7.021 -3.999 535 HZ3 TRP 70 HZ3 TRP 70 67.363 -6.294 0.043 536 HH2 TRP 70 HH2 TRP 70 67.167 -7.580 -2.066 537 HB2 TRP 70 HB2 TRP 70 72.246 -2.960 -0.593 538 HB3 TRP 70 HB1 TRP 70 70.584 -2.528 -0.193 539 H GLU 71 HN GLU 71 69.750 0.530 -1.257 540 HA GLU 71 HA GLU 71 67.621 -0.469 -2.943 541 HB2 GLU 71 HB2 GLU 71 68.104 2.113 -1.456 542 HB3 GLU 71 HB1 GLU 71 66.719 1.937 -2.534 543 HG2 GLU 71 HG2 GLU 71 67.326 -0.072 -0.358 544 HG3 GLU 71 HG1 GLU 71 66.318 1.347 -0.072 545 H ALA 72 HN ALA 72 69.915 2.254 -3.248 546 HA ALA 72 HA ALA 72 69.002 3.038 -5.862 547 HB1 ALA 72 HB1 ALA 72 70.482 4.338 -4.153 548 HB2 ALA 72 HB2 ALA 72 70.821 4.530 -5.872 549 HB3 ALA 72 HB3 ALA 72 71.823 3.461 -4.890 550 H1U RCY 73 H1U RCY 73 73.604 2.552 -0.494 551 H1S RCY 73 H1S RCY 73 75.793 0.978 -4.534 552 HB1 RCY 73 HB1 RCY 73 74.507 -0.542 -6.849 553 HB2 RCY 73 HB2 RCY 73 73.982 -0.169 -5.207 554 HA RCY 73 HA RCY 73 72.492 0.561 -7.747 555 HN1 RCY 73 HN1 RCY 73 72.152 1.542 -5.034 556 H ASN 74 HN ASN 74 70.269 -0.550 -7.635 557 HA ASN 74 HA ASN 74 69.690 -2.789 -6.046 558 HB2 ASN 74 HB2 ASN 74 68.379 -3.599 -8.081 559 HB3 ASN 74 HB1 ASN 74 67.993 -1.971 -7.521 560 HD21 ASN 74 HD21 ASN 74 68.785 -3.736 -10.293 561 HD22 ASN 74 HD22 ASN 74 69.306 -2.451 -11.272 562 H HIS 75 HN HIS 75 71.317 -2.802 -9.241 563 HA HIS 75 HA HIS 75 71.874 -5.515 -9.483 564 HD1 HIS 75 HD1 HIS 75 75.928 -3.436 -10.197 565 HD2 HIS 75 HD2 HIS 75 72.385 -1.324 -9.579 566 HE1 HIS 75 HE1 HIS 75 76.602 -1.095 -9.503 567 HE2 HIS 75 HE2 HIS 75 74.455 0.201 -9.124 568 HB2 HIS 75 HB2 HIS 75 73.937 -4.834 -10.716 569 HB3 HIS 75 HB1 HIS 75 72.518 -3.909 -11.208 570 H1U RCY 76 H1U RCY 76 79.718 -4.615 -3.280 571 H1S RCY 76 H1S RCY 76 76.186 -7.060 -4.058 572 HB1 RCY 76 HB1 RCY 76 73.541 -8.342 -5.338 573 HB2 RCY 76 HB2 RCY 76 72.367 -7.031 -5.435 574 HA RCY 76 HA RCY 76 74.748 -5.760 -6.061 575 HN1 RCY 76 HN1 RCY 76 72.577 -6.795 -7.827 576 H GLU 77 HN GLU 77 76.480 -6.184 -7.547 577 HA GLU 77 HA GLU 77 76.864 -8.800 -8.732 578 HB2 GLU 77 HB2 GLU 77 78.872 -6.575 -8.258 579 HB3 GLU 77 HB1 GLU 77 79.090 -7.950 -9.341 580 HG2 GLU 77 HG2 GLU 77 76.836 -5.942 -9.596 581 HG3 GLU 77 HG1 GLU 77 78.341 -5.855 -10.513 582 H LEU 78 HN LEU 78 79.812 -8.746 -7.890 583 HA LEU 78 HA LEU 78 79.681 -9.451 -5.043 584 HG LEU 78 HG LEU 78 80.978 -10.916 -8.002 585 HB2 LEU 78 HB2 LEU 78 80.238 -11.757 -5.261 586 HB3 LEU 78 HB1 LEU 78 78.877 -11.485 -6.345 587 HD11 LEU 78 HD11 LEU 78 82.464 -11.725 -6.045 588 HD12 LEU 78 HD12 LEU 78 82.783 -12.403 -7.641 589 HD13 LEU 78 HD13 LEU 78 81.883 -13.341 -6.448 590 HD21 LEU 78 HD21 LEU 78 80.651 -13.341 -8.785 591 HD22 LEU 78 HD22 LEU 78 79.199 -12.344 -8.698 592 HD23 LEU 78 HD23 LEU 78 79.542 -13.516 -7.425 593 H HIS 79 HN HIS 79 81.537 -9.124 -8.026 594 HA HIS 79 HA HIS 79 83.710 -7.835 -6.683 595 HD1 HIS 79 HD1 HIS 79 86.816 -11.226 -7.403 596 HD2 HIS 79 HD2 HIS 79 85.915 -7.292 -6.347 597 HE1 HIS 79 HE1 HIS 79 89.028 -10.000 -7.257 598 HE2 HIS 79 HE2 HIS 79 88.493 -7.604 -6.615 599 HB2 HIS 79 HB2 HIS 79 84.139 -10.171 -5.890 600 HB3 HIS 79 HB1 HIS 79 84.302 -10.675 -7.571 601 H GLU 80 HN GLU 80 85.436 -9.514 -8.806 602 HA GLU 80 HA GLU 80 85.325 -7.476 -10.840 603 HB2 GLU 80 HB2 GLU 80 86.679 -10.170 -10.650 604 HB3 GLU 80 HB1 GLU 80 86.779 -9.189 -12.113 605 HG2 GLU 80 HG2 GLU 80 87.810 -7.370 -10.916 606 HG3 GLU 80 HG1 GLU 80 87.512 -8.152 -9.363 607 H LEU 81 HN LEU 81 83.526 -10.362 -10.297 608 HA LEU 81 HA LEU 81 82.814 -10.895 -13.055 609 HG LEU 81 HG LEU 81 82.391 -13.886 -10.974 610 HB2 LEU 81 HB2 LEU 81 81.489 -11.642 -10.430 611 HB3 LEU 81 HB1 LEU 81 80.917 -12.201 -11.999 612 HD11 LEU 81 HD11 LEU 81 83.518 -14.365 -12.929 613 HD12 LEU 81 HD12 LEU 81 84.118 -12.717 -13.110 614 HD13 LEU 81 HD13 LEU 81 82.449 -13.099 -13.534 615 HD21 LEU 81 HD21 LEU 81 84.567 -13.426 -10.243 616 HD22 LEU 81 HD22 LEU 81 83.712 -11.958 -9.771 617 HD23 LEU 81 HD23 LEU 81 84.697 -11.973 -11.233 618 H ALA 82 HN ALA 82 82.413 -8.145 -11.577 619 HA ALA 82 HA ALA 82 79.627 -7.562 -11.575 620 HB1 ALA 82 HB1 ALA 82 80.294 -5.232 -11.600 621 HB2 ALA 82 HB2 ALA 82 81.882 -5.650 -12.243 622 HB3 ALA 82 HB3 ALA 82 81.444 -6.119 -10.601 623 H GLN 83 HN GLN 83 79.095 -5.517 -13.277 624 HA GLN 83 HA GLN 83 79.857 -6.225 -16.022 625 HB2 GLN 83 HB2 GLN 83 77.907 -7.774 -15.205 626 HB3 GLN 83 HB1 GLN 83 76.911 -6.332 -15.395 627 HG2 GLN 83 HG2 GLN 83 77.845 -6.123 -17.744 628 HG3 GLN 83 HG1 GLN 83 78.561 -7.719 -17.522 629 HE21 GLN 83 HE21 GLN 83 76.562 -9.120 -16.187 630 HE22 GLN 83 HE22 GLN 83 75.158 -9.187 -17.137 631 H TYR 84 HN TYR 84 79.688 -3.906 -14.008 632 HA TYR 84 HA TYR 84 78.778 -1.921 -15.983 633 HD1 TYR 84 HD2 TYR 84 76.612 -1.034 -16.720 634 HD2 TYR 84 HD1 TYR 84 75.883 -3.956 -13.657 635 HE1 TYR 84 HE2 TYR 84 74.777 -2.001 -18.079 636 HE2 TYR 84 HE1 TYR 84 74.047 -4.923 -15.016 637 HH TYR 84 HH TYR 84 73.620 -4.824 -17.861 638 HB2 TYR 84 HB2 TYR 84 77.460 -2.269 -13.280 639 HB3 TYR 84 HB1 TYR 84 77.358 -0.774 -14.209 640 H GLY 85 HN GLY 85 79.520 -2.066 -12.474 641 HA2 GLY 85 HA2 GLY 85 81.884 -0.334 -12.993 642 HA3 GLY 85 HA1 GLY 85 80.692 0.205 -11.810 643 H ILE 86 HN ILE 86 82.545 -2.770 -12.565 644 HA ILE 86 HA ILE 86 83.435 -4.379 -11.093 645 HB ILE 86 HB ILE 86 84.132 -2.096 -9.264 646 HG12 ILE 86 HG12 ILE 86 85.238 -2.579 -12.049 647 HG13 ILE 86 HG11 ILE 86 84.394 -1.135 -11.489 648 HG21 ILE 86 HG21 ILE 86 85.935 -4.224 -10.409 649 HG22 ILE 86 HG22 ILE 86 84.865 -4.584 -9.054 650 HG23 ILE 86 HG23 ILE 86 86.101 -3.336 -8.895 651 HD11 ILE 86 HD11 ILE 86 86.702 -0.574 -11.381 652 HD12 ILE 86 HD12 ILE 86 87.126 -2.131 -10.669 653 HD13 ILE 86 HD13 ILE 86 86.243 -0.937 -9.717 654 H1U RCY 87 H1U RCY 87 84.469 -4.081 -0.220 655 H1S RCY 87 H1S RCY 87 85.389 -4.973 -4.308 656 HB1 RCY 87 HB1 RCY 87 82.463 -5.742 -5.853 657 HB2 RCY 87 HB2 RCY 87 82.347 -4.196 -5.014 658 HA RCY 87 HA RCY 87 81.056 -4.837 -7.387 659 HN1 RCY 87 HN1 RCY 87 83.656 -3.708 -8.121 Start of MODEL 6 1 HA MET 1 HA MET 1 56.704 6.532 23.911 2 HB2 MET 1 HB2 MET 1 58.876 7.783 25.620 3 HB3 MET 1 HB1 MET 1 57.428 8.625 25.066 4 HG2 MET 1 HG2 MET 1 55.994 7.173 26.317 5 HG3 MET 1 HG1 MET 1 57.312 6.050 26.651 6 HE1 MET 1 HE1 MET 1 55.986 6.427 29.052 7 HE2 MET 1 HE2 MET 1 57.135 7.092 30.211 8 HE3 MET 1 HE3 MET 1 57.662 5.864 29.063 9 H ASN 2 HN ASN 2 60.072 7.743 23.986 10 HA ASN 2 HA ASN 2 59.676 8.961 21.340 11 HB2 ASN 2 HB2 ASN 2 62.138 8.854 23.110 12 HB3 ASN 2 HB1 ASN 2 61.943 9.862 21.676 13 HD21 ASN 2 HD21 ASN 2 60.306 11.619 21.789 14 HD22 ASN 2 HD22 ASN 2 59.805 12.219 23.296 15 H LEU 3 HN LEU 3 62.535 7.160 22.460 16 HA LEU 3 HA LEU 3 62.928 6.036 19.810 17 HG LEU 3 HG LEU 3 64.498 3.540 20.930 18 HB2 LEU 3 HB2 LEU 3 64.856 6.540 21.225 19 HB3 LEU 3 HB1 LEU 3 64.268 5.436 22.466 20 HD11 LEU 3 HD11 LEU 3 64.076 4.356 18.780 21 HD12 LEU 3 HD12 LEU 3 65.826 4.141 18.744 22 HD13 LEU 3 HD13 LEU 3 65.140 5.747 18.992 23 HD21 LEU 3 HD21 LEU 3 66.464 4.145 22.262 24 HD22 LEU 3 HD22 LEU 3 66.960 5.312 21.037 25 HD23 LEU 3 HD23 LEU 3 66.978 3.587 20.670 26 H GLU 4 HN GLU 4 61.038 4.785 19.395 27 HA GLU 4 HA GLU 4 60.781 2.319 21.076 28 HB2 GLU 4 HB2 GLU 4 58.691 3.972 19.650 29 HB3 GLU 4 HB1 GLU 4 58.381 2.310 20.153 30 HG2 GLU 4 HG2 GLU 4 58.708 2.840 22.456 31 HG3 GLU 4 HG1 GLU 4 59.410 4.411 22.068 32 HA PRO 5 HA PRO 5 61.873 -0.302 17.700 33 HB2 PRO 5 HB2 PRO 5 59.129 -1.472 18.023 34 HB3 PRO 5 HB1 PRO 5 60.693 -2.298 17.884 35 HG2 PRO 5 HG2 PRO 5 59.454 -1.975 20.238 36 HG3 PRO 5 HG1 PRO 5 61.218 -1.965 20.086 37 HD2 PRO 5 HD2 PRO 5 59.392 0.279 20.688 38 HD3 PRO 5 HD1 PRO 5 61.139 0.140 20.980 39 HA PRO 6 HA PRO 6 59.872 1.711 14.234 40 HB2 PRO 6 HB2 PRO 6 61.011 0.312 12.194 41 HB3 PRO 6 HB1 PRO 6 61.913 1.498 13.158 42 HG2 PRO 6 HG2 PRO 6 61.901 -1.472 13.360 43 HG3 PRO 6 HG1 PRO 6 63.254 -0.336 13.493 44 HD2 PRO 6 HD2 PRO 6 62.016 -1.469 15.672 45 HD3 PRO 6 HD1 PRO 6 62.836 0.107 15.722 46 H LYS 7 HN LYS 7 58.316 1.240 12.500 47 HA LYS 7 HA LYS 7 56.456 -0.845 13.168 48 HB2 LYS 7 HB2 LYS 7 56.640 0.590 10.507 49 HB3 LYS 7 HB1 LYS 7 55.207 -0.117 11.252 50 HG2 LYS 7 HG2 LYS 7 56.775 2.262 12.290 51 HG3 LYS 7 HG1 LYS 7 55.169 2.307 11.562 52 HD2 LYS 7 HD2 LYS 7 54.509 0.630 13.431 53 HD3 LYS 7 HD1 LYS 7 55.993 1.160 14.225 54 HE2 LYS 7 HE2 LYS 7 55.222 3.494 14.137 55 HE3 LYS 7 HE1 LYS 7 53.749 2.986 13.311 56 HZ1 LYS 7 HZ1 LYS 7 53.695 3.304 15.842 57 HZ2 LYS 7 HZ2 LYS 7 54.497 1.807 15.907 58 HZ3 LYS 7 HZ3 LYS 7 52.962 1.921 15.187 59 H ALA 8 HN ALA 8 57.029 -2.961 12.924 60 HA ALA 8 HA ALA 8 58.923 -3.858 10.927 61 HB1 ALA 8 HB1 ALA 8 56.943 -5.571 12.448 62 HB2 ALA 8 HB2 ALA 8 58.447 -4.984 13.157 63 HB3 ALA 8 HB3 ALA 8 58.492 -6.067 11.766 64 H GLU 9 HN GLU 9 55.607 -5.117 11.309 65 HA GLU 9 HA GLU 9 54.035 -5.729 9.677 66 HB2 GLU 9 HB2 GLU 9 54.201 -3.183 9.366 67 HB3 GLU 9 HB1 GLU 9 55.240 -3.533 7.985 68 HG2 GLU 9 HG2 GLU 9 53.382 -5.062 7.138 69 HG3 GLU 9 HG1 GLU 9 52.354 -4.349 8.382 70 H1U RCY 10 H1U RCY 10 63.545 -9.868 4.663 71 H1S RCY 10 H1S RCY 10 59.560 -9.169 6.171 72 HB1 RCY 10 HB1 RCY 10 56.943 -9.621 9.248 73 HB2 RCY 10 HB2 RCY 10 58.453 -8.744 8.995 74 HA RCY 10 HA RCY 10 57.540 -7.543 7.129 75 HN1 RCY 10 HN1 RCY 10 56.107 -7.430 9.631 76 H ARG 11 HN ARG 11 55.981 -7.338 5.448 77 HA ARG 11 HA ARG 11 54.811 -9.808 4.549 78 HE ARG 11 HE ARG 11 52.825 -12.819 4.287 79 HB2 ARG 11 HB2 ARG 11 53.230 -8.850 6.445 80 HB3 ARG 11 HB1 ARG 11 52.692 -7.766 5.163 81 HG2 ARG 11 HG2 ARG 11 51.234 -9.554 4.860 82 HG3 ARG 11 HG1 ARG 11 52.538 -10.000 3.759 83 HD2 ARG 11 HD2 ARG 11 53.544 -11.202 5.859 84 HD3 ARG 11 HD1 ARG 11 51.893 -11.118 6.475 85 HH11 ARG 11 HH21 ARG 11 50.198 -11.155 5.774 86 HH12 ARG 11 HH22 ARG 11 48.986 -12.195 5.104 87 HH21 ARG 11 HH11 ARG 11 51.258 -14.188 3.404 88 HH22 ARG 11 HH12 ARG 11 49.586 -13.912 3.763 89 H SER 12 HN SER 12 56.384 -7.319 3.748 90 HA SER 12 HA SER 12 54.864 -5.832 1.835 91 HG SER 12 HG SER 12 56.932 -5.419 3.724 92 HB2 SER 12 HB2 SER 12 57.830 -6.464 1.836 93 HB3 SER 12 HB1 SER 12 57.053 -5.194 0.895 94 H ALA 13 HN ALA 13 54.160 -6.401 -0.172 95 HA ALA 13 HA ALA 13 55.003 -9.053 -1.240 96 HB1 ALA 13 HB1 ALA 13 52.581 -8.688 -0.970 97 HB2 ALA 13 HB2 ALA 13 52.998 -8.860 -2.675 98 HB3 ALA 13 HB3 ALA 13 52.675 -7.262 -2.003 99 H THR 14 HN THR 14 56.244 -9.161 -3.064 100 HA THR 14 HA THR 14 56.227 -7.015 -5.050 101 HB THR 14 HB THR 14 58.784 -7.550 -3.509 102 HG1 THR 14 HG1 THR 14 58.183 -5.103 -3.199 103 HG21 THR 14 HG21 THR 14 59.585 -5.577 -4.809 104 HG22 THR 14 HG22 THR 14 58.062 -5.583 -5.699 105 HG23 THR 14 HG23 THR 14 59.171 -6.948 -5.839 106 H ARG 15 HN ARG 15 56.647 -7.932 -7.014 107 HA ARG 15 HA ARG 15 57.316 -10.763 -7.147 108 HE ARG 15 HE ARG 15 53.975 -11.088 -10.965 109 HB2 ARG 15 HB2 ARG 15 57.117 -8.731 -9.391 110 HB3 ARG 15 HB1 ARG 15 57.083 -10.486 -9.563 111 HG2 ARG 15 HG2 ARG 15 54.995 -10.639 -8.369 112 HG3 ARG 15 HG1 ARG 15 55.069 -8.936 -7.915 113 HD2 ARG 15 HD2 ARG 15 53.554 -9.063 -9.765 114 HD3 ARG 15 HD1 ARG 15 55.058 -8.399 -10.406 115 HH11 ARG 15 HH21 ARG 15 56.568 -8.819 -11.090 116 HH12 ARG 15 HH22 ARG 15 57.402 -9.641 -12.367 117 HH21 ARG 15 HH11 ARG 15 55.049 -12.174 -12.632 118 HH22 ARG 15 HH12 ARG 15 56.542 -11.540 -13.240 119 H VAL 16 HN VAL 16 59.421 -11.261 -6.637 120 HA VAL 16 HA VAL 16 61.665 -9.548 -7.102 121 HB VAL 16 HB VAL 16 61.564 -12.562 -6.773 122 HG11 VAL 16 HG11 VAL 16 63.693 -12.020 -7.705 123 HG12 VAL 16 HG12 VAL 16 63.959 -12.148 -5.966 124 HG13 VAL 16 HG13 VAL 16 63.830 -10.561 -6.724 125 HG21 VAL 16 HG21 VAL 16 60.603 -11.168 -4.904 126 HG22 VAL 16 HG22 VAL 16 62.177 -10.388 -4.749 127 HG23 VAL 16 HG23 VAL 16 62.013 -12.116 -4.433 128 H MET 17 HN MET 17 62.632 -9.068 -9.009 129 HA MET 17 HA MET 17 61.819 -10.194 -11.501 130 HB2 MET 17 HB2 MET 17 64.249 -8.593 -10.677 131 HB3 MET 17 HB1 MET 17 63.981 -9.101 -12.344 132 HG2 MET 17 HG2 MET 17 63.091 -6.839 -12.003 133 HG3 MET 17 HG1 MET 17 61.773 -7.968 -12.318 134 HE1 MET 17 HE1 MET 17 63.046 -5.886 -8.512 135 HE2 MET 17 HE2 MET 17 63.986 -6.296 -9.944 136 HE3 MET 17 HE3 MET 17 63.744 -7.501 -8.682 137 H GLY 18 HN GLY 18 64.630 -10.866 -9.420 138 HA2 GLY 18 HA2 GLY 18 65.752 -12.957 -9.222 139 HA3 GLY 18 HA1 GLY 18 64.824 -13.557 -10.598 140 H GLY 19 HN GLY 19 65.757 -13.483 -12.619 141 HA2 GLY 19 HA2 GLY 19 68.585 -12.684 -12.746 142 HA3 GLY 19 HA1 GLY 19 67.684 -13.510 -14.017 143 HA PRO 20 HA PRO 20 66.607 -9.975 -16.404 144 HB2 PRO 20 HB2 PRO 20 63.933 -9.740 -15.063 145 HB3 PRO 20 HB1 PRO 20 64.329 -9.743 -16.793 146 HG2 PRO 20 HG2 PRO 20 63.317 -11.893 -15.596 147 HG3 PRO 20 HG1 PRO 20 64.533 -12.031 -16.877 148 HD2 PRO 20 HD2 PRO 20 64.832 -12.484 -13.950 149 HD3 PRO 20 HD1 PRO 20 65.750 -13.185 -15.301 150 H1U RCY 21 H1U RCY 21 68.092 -7.043 -5.202 151 H1S RCY 21 H1S RCY 21 66.749 -6.817 -9.806 152 HB1 RCY 21 HB1 RCY 21 69.437 -7.707 -12.579 153 HB2 RCY 21 HB2 RCY 21 67.865 -8.298 -12.044 154 HA RCY 21 HA RCY 21 66.881 -6.503 -13.639 155 HN1 RCY 21 HN1 RCY 21 68.214 -8.775 -15.035 156 H THR 22 HN THR 22 67.348 -5.009 -15.252 157 HA THR 22 HA THR 22 70.232 -4.390 -15.644 158 HB THR 22 HB THR 22 70.060 -4.308 -18.020 159 HG1 THR 22 HG1 THR 22 67.589 -5.147 -18.474 160 HG21 THR 22 HG21 THR 22 70.192 -6.601 -16.955 161 HG22 THR 22 HG22 THR 22 69.541 -6.584 -18.594 162 HG23 THR 22 HG23 THR 22 68.453 -6.743 -17.215 163 HA PRO 23 HA PRO 23 67.967 -0.565 -14.452 164 HB2 PRO 23 HB2 PRO 23 70.804 0.380 -14.535 165 HB3 PRO 23 HB1 PRO 23 69.565 0.639 -13.291 166 HG2 PRO 23 HG2 PRO 23 71.547 -1.100 -12.935 167 HG3 PRO 23 HG1 PRO 23 69.914 -1.424 -12.330 168 HD2 PRO 23 HD2 PRO 23 71.322 -2.622 -14.679 169 HD3 PRO 23 HD1 PRO 23 70.108 -3.346 -13.600 170 H ARG 24 HN ARG 24 69.028 1.880 -15.337 171 HA ARG 24 HA ARG 24 69.108 1.563 -18.315 172 HE ARG 24 HE ARG 24 68.105 1.570 -19.755 173 HB2 ARG 24 HB2 ARG 24 67.553 3.594 -16.685 174 HB3 ARG 24 HB1 ARG 24 67.746 3.665 -18.435 175 HG2 ARG 24 HG2 ARG 24 66.843 1.039 -17.473 176 HG3 ARG 24 HG1 ARG 24 65.707 2.342 -17.122 177 HD2 ARG 24 HD2 ARG 24 65.214 1.387 -19.323 178 HD3 ARG 24 HD1 ARG 24 65.806 3.038 -19.507 179 HH11 ARG 24 HH21 ARG 24 64.944 1.359 -21.116 180 HH12 ARG 24 HH22 ARG 24 65.488 0.665 -22.607 181 HH21 ARG 24 HH11 ARG 24 68.833 0.666 -21.695 182 HH22 ARG 24 HH12 ARG 24 67.690 0.273 -22.935 183 H LYS 25 HN LYS 25 69.024 4.692 -16.828 184 HA LYS 25 HA LYS 25 71.393 5.613 -18.039 185 HB2 LYS 25 HB2 LYS 25 70.273 6.587 -15.394 186 HB3 LYS 25 HB1 LYS 25 71.284 7.502 -16.512 187 HG2 LYS 25 HG2 LYS 25 68.676 6.338 -17.458 188 HG3 LYS 25 HG1 LYS 25 68.689 7.860 -16.567 189 HD2 LYS 25 HD2 LYS 25 70.268 8.815 -18.196 190 HD3 LYS 25 HD1 LYS 25 70.284 7.291 -19.083 191 HE2 LYS 25 HE2 LYS 25 67.784 7.528 -19.364 192 HE3 LYS 25 HE1 LYS 25 67.926 9.150 -18.685 193 HZ1 LYS 25 HZ1 LYS 25 68.312 9.773 -20.775 194 HZ2 LYS 25 HZ2 LYS 25 68.630 8.189 -21.300 195 HZ3 LYS 25 HZ3 LYS 25 69.860 9.107 -20.573 196 H GLY 26 HN GLY 26 73.167 4.247 -17.774 197 HA2 GLY 26 HA2 GLY 26 74.189 3.985 -14.981 198 HA3 GLY 26 HA1 GLY 26 74.376 2.705 -16.172 199 HA PRO 27 HA PRO 27 77.411 5.340 -18.636 200 HB2 PRO 27 HB2 PRO 27 76.441 8.049 -17.774 201 HB3 PRO 27 HB1 PRO 27 77.137 7.547 -19.329 202 HG2 PRO 27 HG2 PRO 27 74.507 7.857 -19.012 203 HG3 PRO 27 HG1 PRO 27 75.171 6.575 -20.038 204 HD2 PRO 27 HD2 PRO 27 73.833 6.350 -17.397 205 HD3 PRO 27 HD1 PRO 27 74.013 5.131 -18.678 206 HA PRO 28 HA PRO 28 79.936 5.272 -14.870 207 HB2 PRO 28 HB2 PRO 28 81.924 6.326 -16.857 208 HB3 PRO 28 HB1 PRO 28 82.112 5.036 -15.652 209 HG2 PRO 28 HG2 PRO 28 81.730 4.493 -18.236 210 HG3 PRO 28 HG1 PRO 28 81.042 3.478 -16.959 211 HD2 PRO 28 HD2 PRO 28 79.664 5.363 -18.795 212 HD3 PRO 28 HD1 PRO 28 79.019 3.944 -17.942 213 H LYS 29 HN LYS 29 81.106 6.891 -13.563 214 HA LYS 29 HA LYS 29 81.152 9.673 -14.450 215 HB2 LYS 29 HB2 LYS 29 78.729 9.171 -13.763 216 HB3 LYS 29 HB1 LYS 29 79.343 9.024 -12.116 217 HG2 LYS 29 HG2 LYS 29 80.418 11.330 -12.486 218 HG3 LYS 29 HG1 LYS 29 79.384 11.454 -13.910 219 HD2 LYS 29 HD2 LYS 29 78.284 10.782 -11.175 220 HD3 LYS 29 HD1 LYS 29 78.442 12.445 -11.743 221 HE2 LYS 29 HE2 LYS 29 76.833 10.234 -13.052 222 HE3 LYS 29 HE1 LYS 29 76.193 11.664 -12.243 223 HZ1 LYS 29 HZ1 LYS 29 77.953 12.652 -14.080 224 HZ2 LYS 29 HZ2 LYS 29 76.260 12.629 -14.226 225 HZ3 LYS 29 HZ3 LYS 29 77.191 11.380 -14.905 226 H1U RCY 30 H1U RCY 30 87.010 11.637 -5.632 227 H1S RCY 30 H1S RCY 30 86.043 11.149 -9.784 228 HB1 RCY 30 HB1 RCY 30 83.070 11.286 -8.918 229 HB2 RCY 30 HB2 RCY 30 81.946 11.749 -10.196 230 HA RCY 30 HA RCY 30 83.445 9.179 -10.512 231 HN1 RCY 30 HN1 RCY 30 80.619 9.852 -11.224 232 H LYS 31 HN LYS 31 83.732 8.856 -8.148 233 HA LYS 31 HA LYS 31 81.439 7.398 -7.031 234 HB2 LYS 31 HB2 LYS 31 84.237 7.893 -5.967 235 HB3 LYS 31 HB1 LYS 31 83.039 6.861 -5.186 236 HG2 LYS 31 HG2 LYS 31 82.904 5.539 -7.334 237 HG3 LYS 31 HG1 LYS 31 84.277 6.476 -7.924 238 HD2 LYS 31 HD2 LYS 31 85.570 5.738 -5.902 239 HD3 LYS 31 HD1 LYS 31 84.221 4.682 -5.482 240 HE2 LYS 31 HE2 LYS 31 85.616 4.567 -8.165 241 HE3 LYS 31 HE1 LYS 31 86.101 3.573 -6.792 242 HZ1 LYS 31 HZ1 LYS 31 84.591 2.170 -7.655 243 HZ2 LYS 31 HZ2 LYS 31 83.741 3.393 -8.471 244 HZ3 LYS 31 HZ3 LYS 31 83.482 3.138 -6.812 245 H GLN 32 HN GLN 32 82.299 10.589 -7.089 246 HA GLN 32 HA GLN 32 81.696 12.438 -5.778 247 HB2 GLN 32 HB2 GLN 32 79.770 10.624 -4.327 248 HB3 GLN 32 HB1 GLN 32 79.586 12.332 -4.728 249 HG2 GLN 32 HG2 GLN 32 79.712 11.541 -7.200 250 HG3 GLN 32 HG1 GLN 32 79.362 9.940 -6.548 251 HE21 GLN 32 HE21 GLN 32 77.867 12.713 -7.737 252 HE22 GLN 32 HE22 GLN 32 76.337 12.507 -7.032 253 H ARG 33 HN ARG 33 83.979 11.403 -4.896 254 HA ARG 33 HA ARG 33 85.370 11.178 -3.028 255 HE ARG 33 HE ARG 33 84.831 15.971 -3.874 256 HB2 ARG 33 HB2 ARG 33 83.040 12.594 -1.692 257 HB3 ARG 33 HB1 ARG 33 84.635 12.379 -0.976 258 HG2 ARG 33 HG2 ARG 33 85.093 14.391 -1.939 259 HG3 ARG 33 HG1 ARG 33 85.288 13.443 -3.414 260 HD2 ARG 33 HD2 ARG 33 82.922 13.819 -3.982 261 HD3 ARG 33 HD1 ARG 33 82.708 14.750 -2.499 262 HH11 ARG 33 HH21 ARG 33 81.506 15.201 -4.361 263 HH12 ARG 33 HH22 ARG 33 81.205 16.559 -5.393 264 HH21 ARG 33 HH11 ARG 33 84.458 17.749 -5.219 265 HH22 ARG 33 HH12 ARG 33 82.876 18.002 -5.879 266 H GLN 34 HN GLN 34 85.719 9.787 -1.220 267 HA GLN 34 HA GLN 34 83.409 8.127 -0.341 268 HB2 GLN 34 HB2 GLN 34 85.934 7.142 -1.673 269 HB3 GLN 34 HB1 GLN 34 85.012 6.105 -0.584 270 HG2 GLN 34 HG2 GLN 34 83.722 7.548 -2.906 271 HG3 GLN 34 HG1 GLN 34 84.422 5.937 -3.071 272 HE21 GLN 34 HE21 GLN 34 81.723 6.035 -3.524 273 HE22 GLN 34 HE22 GLN 34 80.855 5.410 -2.205 274 H THR 35 HN THR 35 84.913 10.204 1.010 275 HA THR 35 HA THR 35 86.953 9.171 2.709 276 HB THR 35 HB THR 35 86.455 11.093 4.157 277 HG1 THR 35 HG1 THR 35 84.028 10.827 2.905 278 HG21 THR 35 HG21 THR 35 86.177 11.713 1.202 279 HG22 THR 35 HG22 THR 35 87.691 11.524 2.086 280 HG23 THR 35 HG23 THR 35 86.625 12.882 2.444 281 H ARG 36 HN ARG 36 85.769 9.844 5.309 282 HA ARG 36 HA ARG 36 84.856 8.577 7.077 283 HE ARG 36 HE ARG 36 80.737 12.371 6.218 284 HB2 ARG 36 HB2 ARG 36 82.619 8.074 5.100 285 HB3 ARG 36 HB1 ARG 36 82.504 8.175 6.857 286 HG2 ARG 36 HG2 ARG 36 83.138 10.549 6.778 287 HG3 ARG 36 HG1 ARG 36 83.294 10.458 5.023 288 HD2 ARG 36 HD2 ARG 36 80.885 9.776 4.900 289 HD3 ARG 36 HD1 ARG 36 80.761 10.046 6.638 290 HH11 ARG 36 HH21 ARG 36 81.862 10.561 3.508 291 HH12 ARG 36 HH22 ARG 36 81.896 11.925 2.442 292 HH21 ARG 36 HH11 ARG 36 80.775 14.163 4.842 293 HH22 ARG 36 HH12 ARG 36 81.281 13.965 3.197 294 H GLN 37 HN GLN 37 86.509 7.153 5.013 295 HA GLN 37 HA GLN 37 85.548 4.637 4.286 296 HB2 GLN 37 HB2 GLN 37 88.321 5.013 5.426 297 HB3 GLN 37 HB1 GLN 37 87.807 3.923 4.139 298 HG2 GLN 37 HG2 GLN 37 88.748 5.644 2.890 299 HG3 GLN 37 HG1 GLN 37 87.066 6.173 2.958 300 HE21 GLN 37 HE21 GLN 37 89.283 8.017 2.648 301 HE22 GLN 37 HE22 GLN 37 89.338 8.993 4.035 302 H1U RCY 38 H1U RCY 38 83.531 3.927 3.156 303 H1S RCY 38 H1S RCY 38 84.245 3.501 6.345 304 HB1 RCY 38 HB1 RCY 38 83.431 4.180 8.427 305 HB2 RCY 38 HB2 RCY 38 83.946 3.140 9.754 306 HA RCY 38 HA RCY 38 85.624 4.831 9.549 307 HN1 RCY 38 HN1 RCY 38 85.680 5.834 7.423 308 H LYS 39 HN LYS 39 87.286 3.882 10.589 309 HA LYS 39 HA LYS 39 89.311 2.341 9.476 310 HB2 LYS 39 HB2 LYS 39 88.194 2.361 12.286 311 HB3 LYS 39 HB1 LYS 39 89.598 1.389 11.853 312 HG2 LYS 39 HG2 LYS 39 90.571 3.400 12.586 313 HG3 LYS 39 HG1 LYS 39 90.525 3.606 10.835 314 HD2 LYS 39 HD2 LYS 39 88.552 4.969 10.962 315 HD3 LYS 39 HD1 LYS 39 88.323 4.583 12.668 316 HE2 LYS 39 HE2 LYS 39 90.642 5.635 13.041 317 HE3 LYS 39 HE1 LYS 39 90.472 6.295 11.414 318 HZ1 LYS 39 HZ1 LYS 39 88.410 7.347 12.085 319 HZ2 LYS 39 HZ2 LYS 39 89.683 7.844 13.095 320 HZ3 LYS 39 HZ3 LYS 39 88.555 6.699 13.646 321 H SER 40 HN SER 40 87.695 0.450 11.892 322 HA SER 40 HA SER 40 87.289 -1.703 9.858 323 HG SER 40 HG SER 40 89.360 -1.448 11.117 324 HB2 SER 40 HB2 SER 40 87.503 -1.926 12.874 325 HB3 SER 40 HB1 SER 40 87.422 -3.265 11.733 326 H LYS 41 HN LYS 41 85.574 -3.285 11.499 327 HA LYS 41 HA LYS 41 83.152 -1.577 11.841 328 HB2 LYS 41 HB2 LYS 41 81.941 -3.644 10.736 329 HB3 LYS 41 HB1 LYS 41 82.666 -2.401 9.715 330 HG2 LYS 41 HG2 LYS 41 84.525 -3.733 9.190 331 HG3 LYS 41 HG1 LYS 41 84.293 -4.777 10.592 332 HD2 LYS 41 HD2 LYS 41 82.443 -5.882 9.604 333 HD3 LYS 41 HD1 LYS 41 82.247 -4.631 8.376 334 HE2 LYS 41 HE2 LYS 41 83.399 -6.871 7.698 335 HE3 LYS 41 HE1 LYS 41 84.118 -5.354 7.157 336 HZ1 LYS 41 HZ1 LYS 41 84.943 -6.489 9.737 337 HZ2 LYS 41 HZ2 LYS 41 85.819 -5.513 8.656 338 HZ3 LYS 41 HZ3 LYS 41 85.570 -7.158 8.309 339 HA PRO 42 HA PRO 42 83.793 -4.562 15.333 340 HB2 PRO 42 HB2 PRO 42 82.985 -2.813 17.302 341 HB3 PRO 42 HB1 PRO 42 84.654 -2.939 16.717 342 HG2 PRO 42 HG2 PRO 42 82.568 -0.932 16.062 343 HG3 PRO 42 HG1 PRO 42 84.315 -0.725 16.261 344 HD2 PRO 42 HD2 PRO 42 83.074 -0.838 13.808 345 HD3 PRO 42 HD1 PRO 42 84.767 -1.308 14.074 346 HA PRO 43 HA PRO 43 79.666 -6.027 15.771 347 HB2 PRO 43 HB2 PRO 43 79.500 -6.285 18.580 348 HB3 PRO 43 HB1 PRO 43 80.083 -7.515 17.445 349 HG2 PRO 43 HG2 PRO 43 81.611 -5.635 19.140 350 HG3 PRO 43 HG1 PRO 43 82.018 -7.276 18.613 351 HD2 PRO 43 HD2 PRO 43 83.199 -5.091 17.522 352 HD3 PRO 43 HD1 PRO 43 82.868 -6.555 16.566 353 H LYS 44 HN LYS 44 77.509 -5.500 16.731 354 HA LYS 44 HA LYS 44 75.886 -4.008 17.553 355 HB2 LYS 44 HB2 LYS 44 77.951 -3.466 19.199 356 HB3 LYS 44 HB1 LYS 44 77.894 -1.936 18.325 357 HG2 LYS 44 HG2 LYS 44 75.484 -1.731 18.852 358 HG3 LYS 44 HG1 LYS 44 75.559 -3.247 19.750 359 HD2 LYS 44 HD2 LYS 44 75.877 -1.745 21.483 360 HD3 LYS 44 HD1 LYS 44 77.553 -2.009 20.999 361 HE2 LYS 44 HE2 LYS 44 77.410 0.331 21.063 362 HE3 LYS 44 HE1 LYS 44 77.134 -0.022 19.357 363 HZ1 LYS 44 HZ1 LYS 44 74.686 -0.093 20.004 364 HZ2 LYS 44 HZ2 LYS 44 75.432 1.431 19.927 365 HZ3 LYS 44 HZ3 LYS 44 75.157 0.692 21.432 366 H LYS 45 HN LYS 45 76.394 -1.041 17.421 367 HA LYS 45 HA LYS 45 77.252 -0.197 14.871 368 HB2 LYS 45 HB2 LYS 45 74.715 -1.620 14.830 369 HB3 LYS 45 HB1 LYS 45 74.485 0.048 14.315 370 HG2 LYS 45 HG2 LYS 45 76.770 -1.575 13.213 371 HG3 LYS 45 HG1 LYS 45 75.154 -1.733 12.523 372 HD2 LYS 45 HD2 LYS 45 76.258 1.018 12.952 373 HD3 LYS 45 HD1 LYS 45 76.851 0.077 11.583 374 HE2 LYS 45 HE2 LYS 45 73.913 0.542 12.162 375 HE3 LYS 45 HE1 LYS 45 74.860 1.515 11.035 376 HZ1 LYS 45 HZ1 LYS 45 75.462 -0.738 10.005 377 HZ2 LYS 45 HZ2 LYS 45 73.919 -0.098 9.696 378 HZ3 LYS 45 HZ3 LYS 45 74.114 -1.332 10.847 379 H GLY 46 HN GLY 46 76.169 2.015 14.320 380 HA2 GLY 46 HA2 GLY 46 75.392 4.124 15.031 381 HA3 GLY 46 HA1 GLY 46 74.700 3.336 16.450 382 H VAL 47 HN VAL 47 75.877 3.325 18.369 383 HA VAL 47 HA VAL 47 77.746 5.324 18.913 384 HB VAL 47 HB VAL 47 77.575 2.595 20.231 385 HG11 VAL 47 HG11 VAL 47 78.787 5.231 21.102 386 HG12 VAL 47 HG12 VAL 47 79.618 3.690 20.893 387 HG13 VAL 47 HG13 VAL 47 78.464 3.898 22.211 388 HG21 VAL 47 HG21 VAL 47 76.129 5.216 20.699 389 HG22 VAL 47 HG22 VAL 47 76.162 3.913 21.886 390 HG23 VAL 47 HG23 VAL 47 75.415 3.651 20.310 391 H GLN 48 HN GLN 48 78.321 2.052 17.700 392 HA GLN 48 HA GLN 48 81.053 2.897 16.909 393 HB2 GLN 48 HB2 GLN 48 82.098 0.923 17.844 394 HB3 GLN 48 HB1 GLN 48 81.213 1.733 19.137 395 HG2 GLN 48 HG2 GLN 48 79.243 0.155 18.394 396 HG3 GLN 48 HG1 GLN 48 80.539 -0.814 17.693 397 HE21 GLN 48 HE21 GLN 48 80.446 1.103 20.748 398 HE22 GLN 48 HE22 GLN 48 80.848 -0.205 21.752 399 H GLY 49 HN GLY 49 81.110 2.500 14.761 400 HA2 GLY 49 HA2 GLY 49 81.061 0.179 13.383 401 HA3 GLY 49 HA1 GLY 49 79.331 0.457 13.594 402 H1U RCY 50 H1U RCY 50 82.909 2.816 5.174 403 H1S RCY 50 H1S RCY 50 81.337 4.531 8.796 404 HB1 RCY 50 HB1 RCY 50 78.737 5.112 11.719 405 HB2 RCY 50 HB2 RCY 50 78.652 3.505 10.999 406 HA RCY 50 HA RCY 50 81.216 3.752 10.667 407 HN1 RCY 50 HN1 RCY 50 80.830 3.422 13.513 408 H GLY 51 HN GLY 51 83.102 4.821 11.484 409 HA2 GLY 51 HA2 GLY 51 82.921 7.031 13.346 410 HA3 GLY 51 HA1 GLY 51 84.334 6.620 12.373 411 H ASP 52 HN ASP 52 81.036 7.444 11.304 412 HA ASP 52 HA ASP 52 82.170 9.367 9.386 413 HB2 ASP 52 HB2 ASP 52 79.331 8.471 9.960 414 HB3 ASP 52 HB1 ASP 52 79.758 9.637 8.707 415 H ASP 53 HN ASP 53 80.997 9.436 12.582 416 HA ASP 53 HA ASP 53 80.646 11.227 14.053 417 HB2 ASP 53 HB2 ASP 53 82.648 12.127 12.613 418 HB3 ASP 53 HB1 ASP 53 81.424 13.161 11.879 419 H ILE 54 HN ILE 54 79.197 11.056 10.949 420 HA ILE 54 HA ILE 54 76.778 12.399 12.006 421 HB ILE 54 HB ILE 54 77.871 13.114 9.277 422 HG12 ILE 54 HG12 ILE 54 78.177 14.558 11.927 423 HG13 ILE 54 HG11 ILE 54 79.473 13.949 10.896 424 HG21 ILE 54 HG21 ILE 54 75.389 13.334 9.864 425 HG22 ILE 54 HG22 ILE 54 76.184 14.804 9.297 426 HG23 ILE 54 HG23 ILE 54 75.876 14.575 11.019 427 HD11 ILE 54 HD11 ILE 54 79.339 16.285 10.434 428 HD12 ILE 54 HD12 ILE 54 77.578 16.238 10.338 429 HD13 ILE 54 HD13 ILE 54 78.551 15.488 9.072 430 HA PRO 55 HA PRO 55 76.022 8.516 9.571 431 HB2 PRO 55 HB2 PRO 55 74.215 7.436 11.330 432 HB3 PRO 55 HB1 PRO 55 75.969 7.203 11.461 433 HG2 PRO 55 HG2 PRO 55 74.189 9.044 12.967 434 HG3 PRO 55 HG1 PRO 55 75.602 8.131 13.521 435 HD2 PRO 55 HD2 PRO 55 75.666 10.821 12.929 436 HD3 PRO 55 HD1 PRO 55 77.086 9.757 12.831 437 H GLY 56 HN GLY 56 74.122 7.941 8.360 438 HA2 GLY 56 HA2 GLY 56 71.813 8.188 7.716 439 HA3 GLY 56 HA1 GLY 56 71.698 9.601 8.767 440 H MET 57 HN MET 57 72.402 11.630 7.973 441 HA MET 57 HA MET 57 72.956 13.229 6.347 442 HB2 MET 57 HB2 MET 57 74.764 11.234 5.927 443 HB3 MET 57 HB1 MET 57 73.932 11.230 4.373 444 HG2 MET 57 HG2 MET 57 75.134 13.679 5.702 445 HG3 MET 57 HG1 MET 57 75.864 12.786 4.368 446 HE1 MET 57 HE1 MET 57 75.994 15.260 3.592 447 HE2 MET 57 HE2 MET 57 74.785 16.064 4.591 448 HE3 MET 57 HE3 MET 57 74.671 16.157 2.836 449 H GLU 58 HN GLU 58 71.082 10.416 5.622 450 HA GLU 58 HA GLU 58 69.325 10.057 4.106 451 HB2 GLU 58 HB2 GLU 58 69.151 13.079 4.329 452 HB3 GLU 58 HB1 GLU 58 67.879 12.019 3.721 453 HG2 GLU 58 HG2 GLU 58 67.902 10.830 5.935 454 HG3 GLU 58 HG1 GLU 58 69.028 12.054 6.524 455 H GLY 59 HN GLY 59 70.962 9.433 2.459 456 HA2 GLY 59 HA2 GLY 59 71.686 9.514 0.226 457 HA3 GLY 59 HA1 GLY 59 70.556 10.847 -0.016 458 H1U RCY 60 H1U RCY 60 73.851 6.162 1.198 459 H1S RCY 60 H1S RCY 60 77.281 8.990 0.186 460 HB1 RCY 60 HB1 RCY 60 76.702 11.760 -0.963 461 HB2 RCY 60 HB2 RCY 60 75.806 10.261 -0.720 462 HA RCY 60 HA RCY 60 74.872 12.523 0.935 463 HN1 RCY 60 HN1 RCY 60 73.680 10.210 -0.404 464 H GLY 61 HN GLY 61 72.718 12.465 -1.450 465 HA2 GLY 61 HA2 GLY 61 72.790 14.993 -2.376 466 HA3 GLY 61 HA1 GLY 61 74.095 14.283 -3.328 467 H THR 62 HN THR 62 71.412 12.267 -2.434 468 HA THR 62 HA THR 62 69.710 11.292 -3.718 469 HB THR 62 HB THR 62 68.477 12.686 -5.112 470 HG1 THR 62 HG1 THR 62 69.382 13.716 -6.701 471 HG21 THR 62 HG21 THR 62 69.355 13.795 -2.834 472 HG22 THR 62 HG22 THR 62 68.300 14.662 -3.950 473 HG23 THR 62 HG23 THR 62 70.039 14.954 -3.974 474 H ASP 63 HN ASP 63 72.631 12.397 -5.307 475 HA ASP 63 HA ASP 63 72.304 10.871 -7.728 476 HB2 ASP 63 HB2 ASP 63 73.966 12.772 -7.311 477 HB3 ASP 63 HB1 ASP 63 74.940 11.592 -6.431 478 H ILE 64 HN ILE 64 71.759 9.444 -5.169 479 HA ILE 64 HA ILE 64 73.459 7.072 -5.730 480 HB ILE 64 HB ILE 64 74.682 7.942 -3.908 481 HG12 ILE 64 HG12 ILE 64 72.583 6.321 -2.458 482 HG13 ILE 64 HG11 ILE 64 73.703 5.576 -3.600 483 HG21 ILE 64 HG21 ILE 64 73.226 9.795 -3.329 484 HG22 ILE 64 HG22 ILE 64 73.529 8.853 -1.869 485 HG23 ILE 64 HG23 ILE 64 71.994 8.688 -2.721 486 HD11 ILE 64 HD11 ILE 64 74.419 5.575 -1.135 487 HD12 ILE 64 HD12 ILE 64 74.663 7.312 -1.320 488 HD13 ILE 64 HD13 ILE 64 75.600 6.182 -2.297 489 H THR 65 HN THR 65 70.662 8.447 -4.023 490 HA THR 65 HA THR 65 69.444 5.920 -3.392 491 HB THR 65 HB THR 65 68.000 8.540 -3.867 492 HG1 THR 65 HG1 THR 65 68.503 9.028 -1.759 493 HG21 THR 65 HG21 THR 65 66.371 7.656 -2.344 494 HG22 THR 65 HG22 THR 65 67.419 6.305 -1.913 495 HG23 THR 65 HG23 THR 65 66.702 6.386 -3.522 496 H VAL 66 HN VAL 66 69.115 8.140 -6.157 497 HA VAL 66 HA VAL 66 67.293 6.194 -7.476 498 HB VAL 66 HB VAL 66 67.252 8.078 -9.254 499 HG11 VAL 66 HG11 VAL 66 65.601 9.344 -7.940 500 HG12 VAL 66 HG12 VAL 66 66.222 8.627 -6.453 501 HG13 VAL 66 HG13 VAL 66 65.419 7.614 -7.653 502 HG21 VAL 66 HG21 VAL 66 67.931 10.279 -8.462 503 HG22 VAL 66 HG22 VAL 66 69.314 9.190 -8.353 504 HG23 VAL 66 HG23 VAL 66 68.405 9.608 -6.901 505 H ILE 67 HN ILE 67 70.459 7.752 -7.909 506 HA ILE 67 HA ILE 67 71.127 5.607 -9.886 507 HB ILE 67 HB ILE 67 71.775 8.566 -10.087 508 HG12 ILE 67 HG12 ILE 67 69.515 7.891 -10.862 509 HG13 ILE 67 HG11 ILE 67 70.534 8.404 -12.207 510 HG21 ILE 67 HG21 ILE 67 72.862 7.790 -12.276 511 HG22 ILE 67 HG22 ILE 67 72.806 6.161 -11.603 512 HG23 ILE 67 HG23 ILE 67 73.741 7.418 -10.793 513 HD11 ILE 67 HD11 ILE 67 69.768 6.430 -13.104 514 HD12 ILE 67 HD12 ILE 67 69.525 5.685 -11.523 515 HD13 ILE 67 HD13 ILE 67 71.146 5.789 -12.209 516 H1U RCY 68 H1U RCY 68 70.488 3.968 -1.608 517 H1S RCY 68 H1S RCY 68 71.361 3.689 -5.762 518 HB1 RCY 68 HB1 RCY 68 73.516 4.727 -5.728 519 HB2 RCY 68 HB2 RCY 68 74.974 3.769 -5.983 520 HA RCY 68 HA RCY 68 74.803 5.892 -7.377 521 HN1 RCY 68 HN1 RCY 68 72.647 4.416 -8.840 522 HA PRO 69 HA PRO 69 77.927 4.243 -10.025 523 HB2 PRO 69 HB2 PRO 69 79.012 2.987 -7.522 524 HB3 PRO 69 HB1 PRO 69 79.862 3.915 -8.773 525 HG2 PRO 69 HG2 PRO 69 79.161 4.993 -6.420 526 HG3 PRO 69 HG1 PRO 69 79.199 5.930 -7.921 527 HD2 PRO 69 HD2 PRO 69 76.867 5.067 -6.333 528 HD3 PRO 69 HD1 PRO 69 76.978 6.341 -7.566 529 H TRP 70 HN TRP 70 76.212 2.159 -7.790 530 HA TRP 70 HA TRP 70 77.110 -0.368 -8.803 531 HD1 TRP 70 HD1 TRP 70 76.730 -2.670 -8.176 532 HE1 TRP 70 HE1 TRP 70 75.185 -4.702 -8.526 533 HE3 TRP 70 HE3 TRP 70 72.186 -0.453 -7.463 534 HZ2 TRP 70 HZ2 TRP 70 72.385 -5.309 -8.507 535 HZ3 TRP 70 HZ3 TRP 70 70.101 -1.777 -7.635 536 HH2 TRP 70 HH2 TRP 70 70.192 -4.198 -8.154 537 HB2 TRP 70 HB2 TRP 70 75.930 -0.231 -6.677 538 HB3 TRP 70 HB1 TRP 70 74.501 0.425 -7.475 539 H GLU 71 HN GLU 71 74.423 1.771 -9.721 540 HA GLU 71 HA GLU 71 73.175 0.037 -11.593 541 HB2 GLU 71 HB2 GLU 71 73.337 3.024 -11.275 542 HB3 GLU 71 HB1 GLU 71 72.582 2.347 -12.719 543 HG2 GLU 71 HG2 GLU 71 71.089 0.985 -11.263 544 HG3 GLU 71 HG1 GLU 71 71.801 1.760 -9.848 545 H ALA 72 HN ALA 72 75.992 2.155 -11.903 546 HA ALA 72 HA ALA 72 76.227 1.744 -14.780 547 HB1 ALA 72 HB1 ALA 72 78.325 2.948 -14.580 548 HB2 ALA 72 HB2 ALA 72 78.336 2.717 -12.832 549 HB3 ALA 72 HB3 ALA 72 77.123 3.759 -13.575 550 H1U RCY 73 H1U RCY 73 77.684 -2.279 -5.826 551 H1S RCY 73 H1S RCY 73 80.487 -0.895 -8.361 552 HB1 RCY 73 HB1 RCY 73 79.246 -2.818 -11.104 553 HB2 RCY 73 HB2 RCY 73 78.095 -1.591 -10.575 554 HA RCY 73 HA RCY 73 79.571 -1.310 -13.190 555 HN1 RCY 73 HN1 RCY 73 77.515 0.219 -11.877 556 H ASN 74 HN ASN 74 76.212 -2.096 -12.265 557 HA ASN 74 HA ASN 74 74.735 -3.648 -13.232 558 HB2 ASN 74 HB2 ASN 74 76.147 -2.884 -15.366 559 HB3 ASN 74 HB1 ASN 74 76.778 -4.526 -15.243 560 HD21 ASN 74 HD21 ASN 74 75.532 -6.094 -16.272 561 HD22 ASN 74 HD22 ASN 74 73.885 -5.935 -16.652 562 H HIS 75 HN HIS 75 74.825 -6.168 -13.848 563 HA HIS 75 HA HIS 75 75.255 -8.309 -12.991 564 HD1 HIS 75 HD1 HIS 75 76.540 -10.263 -14.391 565 HD2 HIS 75 HD2 HIS 75 78.893 -9.500 -11.033 566 HE1 HIS 75 HE1 HIS 75 77.270 -12.519 -13.501 567 HE2 HIS 75 HE2 HIS 75 78.703 -12.069 -11.457 568 HB2 HIS 75 HB2 HIS 75 77.463 -7.729 -14.147 569 HB3 HIS 75 HB1 HIS 75 78.077 -7.310 -12.548 570 H1U RCY 76 H1U RCY 76 75.858 -1.413 -3.820 571 H1S RCY 76 H1S RCY 76 77.608 -3.715 -6.651 572 HB1 RCY 76 HB1 RCY 76 75.313 -6.547 -8.336 573 HB2 RCY 76 HB2 RCY 76 76.538 -5.665 -9.246 574 HA RCY 76 HA RCY 76 78.000 -7.821 -8.607 575 HN1 RCY 76 HN1 RCY 76 77.785 -8.058 -10.938 576 H GLU 77 HN GLU 77 76.189 -9.862 -10.153 577 HA GLU 77 HA GLU 77 74.138 -10.707 -8.352 578 HB2 GLU 77 HB2 GLU 77 74.489 -11.461 -10.765 579 HB3 GLU 77 HB1 GLU 77 75.745 -12.536 -10.150 580 HG2 GLU 77 HG2 GLU 77 73.738 -13.839 -10.226 581 HG3 GLU 77 HG1 GLU 77 74.000 -13.442 -8.528 582 H LEU 78 HN LEU 78 77.607 -11.365 -8.469 583 HA LEU 78 HA LEU 78 77.808 -13.560 -6.748 584 HG LEU 78 HG LEU 78 79.245 -13.220 -8.722 585 HB2 LEU 78 HB2 LEU 78 79.545 -11.126 -7.117 586 HB3 LEU 78 HB1 LEU 78 79.974 -12.370 -5.942 587 HD11 LEU 78 HD11 LEU 78 81.942 -12.105 -7.890 588 HD12 LEU 78 HD12 LEU 78 80.846 -11.388 -9.071 589 HD13 LEU 78 HD13 LEU 78 81.612 -12.940 -9.408 590 HD21 LEU 78 HD21 LEU 78 80.902 -14.980 -8.192 591 HD22 LEU 78 HD22 LEU 78 79.657 -14.885 -6.947 592 HD23 LEU 78 HD23 LEU 78 81.250 -14.186 -6.656 593 H HIS 79 HN HIS 79 78.010 -13.738 -4.433 594 HA HIS 79 HA HIS 79 77.613 -11.466 -2.688 595 HD1 HIS 79 HD1 HIS 79 73.700 -13.268 -1.094 596 HD2 HIS 79 HD2 HIS 79 76.444 -10.128 -1.004 597 HE1 HIS 79 HE1 HIS 79 73.344 -12.070 1.109 598 HE2 HIS 79 HE2 HIS 79 75.009 -10.156 1.176 599 HB2 HIS 79 HB2 HIS 79 75.322 -11.670 -3.638 600 HB3 HIS 79 HB1 HIS 79 75.251 -13.334 -3.059 601 H GLU 80 HN GLU 80 79.205 -14.008 -3.042 602 HA GLU 80 HA GLU 80 78.486 -15.475 -0.554 603 HB2 GLU 80 HB2 GLU 80 80.745 -16.158 -2.440 604 HB3 GLU 80 HB1 GLU 80 79.891 -17.223 -1.323 605 HG2 GLU 80 HG2 GLU 80 78.955 -17.770 -3.416 606 HG3 GLU 80 HG1 GLU 80 77.781 -16.649 -2.725 607 H LEU 81 HN LEU 81 81.118 -13.592 -2.006 608 HA LEU 81 HA LEU 81 83.100 -13.919 -0.055 609 HG LEU 81 HG LEU 81 83.751 -11.992 -3.254 610 HB2 LEU 81 HB2 LEU 81 82.588 -11.154 -1.103 611 HB3 LEU 81 HB1 LEU 81 84.114 -12.007 -0.909 612 HD11 LEU 81 HD11 LEU 81 82.431 -14.612 -2.660 613 HD12 LEU 81 HD12 LEU 81 84.036 -14.314 -1.993 614 HD13 LEU 81 HD13 LEU 81 83.781 -14.258 -3.737 615 HD21 LEU 81 HD21 LEU 81 81.239 -13.196 -3.680 616 HD22 LEU 81 HD22 LEU 81 81.670 -11.513 -3.983 617 HD23 LEU 81 HD23 LEU 81 80.971 -11.979 -2.432 618 H ALA 82 HN ALA 82 80.008 -12.433 0.263 619 HA ALA 82 HA ALA 82 80.352 -10.503 2.244 620 HB1 ALA 82 HB1 ALA 82 78.106 -11.224 3.108 621 HB2 ALA 82 HB2 ALA 82 78.198 -12.630 2.047 622 HB3 ALA 82 HB3 ALA 82 78.145 -11.008 1.358 623 H GLN 83 HN GLN 83 80.573 -14.012 2.574 624 HA GLN 83 HA GLN 83 80.457 -14.330 5.347 625 HB2 GLN 83 HB2 GLN 83 82.170 -15.651 3.245 626 HB3 GLN 83 HB1 GLN 83 82.319 -16.104 4.943 627 HG2 GLN 83 HG2 GLN 83 79.651 -16.046 3.522 628 HG3 GLN 83 HG1 GLN 83 80.671 -17.485 3.549 629 HE21 GLN 83 HE21 GLN 83 81.258 -15.826 6.405 630 HE22 GLN 83 HE22 GLN 83 80.160 -16.636 7.414 631 H TYR 84 HN TYR 84 82.930 -12.767 3.433 632 HA TYR 84 HA TYR 84 84.148 -11.702 5.879 633 HD1 TYR 84 HD2 TYR 84 85.362 -12.686 7.660 634 HD2 TYR 84 HD1 TYR 84 85.163 -15.719 4.624 635 HE1 TYR 84 HE2 TYR 84 84.936 -14.400 9.400 636 HE2 TYR 84 HE1 TYR 84 84.736 -17.433 6.365 637 HH TYR 84 HH TYR 84 84.117 -16.555 9.694 638 HB2 TYR 84 HB2 TYR 84 85.684 -13.531 4.013 639 HB3 TYR 84 HB1 TYR 84 86.443 -12.496 5.221 640 H GLY 85 HN GLY 85 85.135 -9.727 5.465 641 HA2 GLY 85 HA2 GLY 85 84.640 -8.496 2.892 642 HA3 GLY 85 HA1 GLY 85 85.509 -7.755 4.236 643 H ILE 86 HN ILE 86 85.841 -9.203 1.176 644 HA ILE 86 HA ILE 86 88.814 -9.099 1.443 645 HB ILE 86 HB ILE 86 87.170 -11.304 0.159 646 HG12 ILE 86 HG12 ILE 86 87.547 -11.474 2.608 647 HG13 ILE 86 HG11 ILE 86 88.406 -12.739 1.729 648 HG21 ILE 86 HG21 ILE 86 90.075 -10.544 -0.107 649 HG22 ILE 86 HG22 ILE 86 88.929 -10.982 -1.374 650 HG23 ILE 86 HG23 ILE 86 89.562 -12.221 -0.291 651 HD11 ILE 86 HD11 ILE 86 90.298 -10.794 1.729 652 HD12 ILE 86 HD12 ILE 86 90.180 -12.029 2.982 653 HD13 ILE 86 HD13 ILE 86 89.481 -10.432 3.249 654 H1U RCY 87 H1U RCY 87 79.125 -7.586 -2.337 655 H1S RCY 87 H1S RCY 87 83.221 -8.320 -0.740 656 HB1 RCY 87 HB1 RCY 87 86.062 -9.537 -3.953 657 HB2 RCY 87 HB2 RCY 87 85.127 -8.043 -3.937 658 HA RCY 87 HA RCY 87 87.655 -8.171 -3.008 659 HN1 RCY 87 HN1 RCY 87 86.088 -9.365 -0.849 Start of MODEL 7 1 HA MET 1 HA MET 1 51.734 13.723 11.229 2 HB2 MET 1 HB2 MET 1 53.059 11.109 11.975 3 HB3 MET 1 HB1 MET 1 52.670 11.520 10.304 4 HG2 MET 1 HG2 MET 1 54.264 13.367 12.090 5 HG3 MET 1 HG1 MET 1 55.028 12.131 11.090 6 HE1 MET 1 HE1 MET 1 55.946 14.785 10.912 7 HE2 MET 1 HE2 MET 1 54.515 15.792 11.112 8 HE3 MET 1 HE3 MET 1 55.413 15.839 9.597 9 H ASN 2 HN ASN 2 50.351 12.666 9.623 10 HA ASN 2 HA ASN 2 47.952 11.519 10.858 11 HB2 ASN 2 HB2 ASN 2 47.032 11.607 8.563 12 HB3 ASN 2 HB1 ASN 2 47.750 13.151 9.020 13 HD21 ASN 2 HD21 ASN 2 50.273 13.211 8.414 14 HD22 ASN 2 HD22 ASN 2 50.644 12.637 6.861 15 H LEU 3 HN LEU 3 50.727 10.091 10.443 16 HA LEU 3 HA LEU 3 49.614 7.447 10.124 17 HG LEU 3 HG LEU 3 50.867 5.839 8.827 18 HB2 LEU 3 HB2 LEU 3 49.570 8.039 7.762 19 HB3 LEU 3 HB1 LEU 3 51.247 8.576 7.831 20 HD11 LEU 3 HD11 LEU 3 50.541 4.861 6.570 21 HD12 LEU 3 HD12 LEU 3 50.294 6.481 5.918 22 HD13 LEU 3 HD13 LEU 3 49.144 5.811 7.076 23 HD21 LEU 3 HD21 LEU 3 52.801 5.468 7.294 24 HD22 LEU 3 HD22 LEU 3 53.068 6.821 8.393 25 HD23 LEU 3 HD23 LEU 3 52.626 7.124 6.713 26 H GLU 4 HN GLU 4 50.861 6.315 11.523 27 HA GLU 4 HA GLU 4 53.647 7.213 12.015 28 HB2 GLU 4 HB2 GLU 4 51.803 5.309 13.481 29 HB3 GLU 4 HB1 GLU 4 53.488 5.562 13.936 30 HG2 GLU 4 HG2 GLU 4 51.474 7.811 13.691 31 HG3 GLU 4 HG1 GLU 4 51.837 6.993 15.211 32 HA PRO 5 HA PRO 5 55.825 4.153 9.692 33 HB2 PRO 5 HB2 PRO 5 56.834 3.250 12.372 34 HB3 PRO 5 HB1 PRO 5 57.737 3.541 10.872 35 HG2 PRO 5 HG2 PRO 5 57.682 5.319 12.881 36 HG3 PRO 5 HG1 PRO 5 57.787 5.806 11.182 37 HD2 PRO 5 HD2 PRO 5 55.543 6.130 13.062 38 HD3 PRO 5 HD1 PRO 5 55.830 6.939 11.507 39 HA PRO 6 HA PRO 6 52.921 0.762 10.703 40 HB2 PRO 6 HB2 PRO 6 52.472 -0.064 8.161 41 HB3 PRO 6 HB1 PRO 6 51.699 1.385 8.833 42 HG2 PRO 6 HG2 PRO 6 54.009 1.166 6.980 43 HG3 PRO 6 HG1 PRO 6 52.710 2.367 7.032 44 HD2 PRO 6 HD2 PRO 6 55.281 2.752 8.050 45 HD3 PRO 6 HD1 PRO 6 53.852 3.706 8.501 46 H LYS 7 HN LYS 7 53.055 -1.615 10.419 47 HA LYS 7 HA LYS 7 55.638 -2.620 9.335 48 HB2 LYS 7 HB2 LYS 7 56.057 -3.916 11.377 49 HB3 LYS 7 HB1 LYS 7 55.976 -2.195 11.754 50 HG2 LYS 7 HG2 LYS 7 53.352 -2.900 12.025 51 HG3 LYS 7 HG1 LYS 7 54.152 -4.383 12.548 52 HD2 LYS 7 HD2 LYS 7 54.804 -1.619 13.611 53 HD3 LYS 7 HD1 LYS 7 53.757 -2.781 14.427 54 HE2 LYS 7 HE2 LYS 7 55.551 -4.333 14.725 55 HE3 LYS 7 HE1 LYS 7 56.596 -3.442 13.618 56 HZ1 LYS 7 HZ1 LYS 7 55.584 -1.889 15.832 57 HZ2 LYS 7 HZ2 LYS 7 57.156 -1.979 15.194 58 HZ3 LYS 7 HZ3 LYS 7 56.611 -3.160 16.288 59 H ALA 8 HN ALA 8 53.272 -2.972 8.022 60 HA ALA 8 HA ALA 8 53.039 -5.818 7.857 61 HB1 ALA 8 HB1 ALA 8 50.903 -4.364 9.427 62 HB2 ALA 8 HB2 ALA 8 51.805 -5.806 9.894 63 HB3 ALA 8 HB3 ALA 8 50.588 -5.901 8.622 64 H GLU 9 HN GLU 9 53.480 -4.341 5.779 65 HA GLU 9 HA GLU 9 51.119 -4.595 4.128 66 HB2 GLU 9 HB2 GLU 9 51.221 -2.044 3.523 67 HB3 GLU 9 HB1 GLU 9 50.316 -2.554 4.948 68 HG2 GLU 9 HG2 GLU 9 52.165 -1.990 6.405 69 HG3 GLU 9 HG1 GLU 9 53.211 -1.663 5.023 70 H1U RCY 10 H1U RCY 10 58.735 -9.754 3.195 71 H1S RCY 10 H1S RCY 10 57.221 -5.748 4.640 72 HB1 RCY 10 HB1 RCY 10 55.725 -5.882 0.877 73 HB2 RCY 10 HB2 RCY 10 54.719 -6.642 2.111 74 HA RCY 10 HA RCY 10 54.207 -3.862 1.017 75 HN1 RCY 10 HN1 RCY 10 52.114 -5.430 2.361 76 H ARG 11 HN ARG 11 53.410 -7.326 0.788 77 HA ARG 11 HA ARG 11 52.602 -8.556 -1.042 78 HE ARG 11 HE ARG 11 47.980 -10.161 -0.301 79 HB2 ARG 11 HB2 ARG 11 50.893 -6.080 -0.973 80 HB3 ARG 11 HB1 ARG 11 50.675 -7.257 -2.267 81 HG2 ARG 11 HG2 ARG 11 50.807 -8.253 0.555 82 HG3 ARG 11 HG1 ARG 11 49.319 -7.481 0.005 83 HD2 ARG 11 HD2 ARG 11 49.261 -9.040 -1.936 84 HD3 ARG 11 HD1 ARG 11 50.695 -9.847 -1.301 85 HH11 ARG 11 HH21 ARG 11 51.346 -10.176 0.445 86 HH12 ARG 11 HH22 ARG 11 51.178 -11.244 1.798 87 HH21 ARG 11 HH11 ARG 11 47.741 -11.557 1.461 88 HH22 ARG 11 HH12 ARG 11 49.136 -12.026 2.373 89 H SER 12 HN SER 12 54.602 -8.461 -2.227 90 HA SER 12 HA SER 12 54.389 -7.430 -4.873 91 HG SER 12 HG SER 12 54.505 -4.270 -3.704 92 HB2 SER 12 HB2 SER 12 55.804 -5.693 -2.875 93 HB3 SER 12 HB1 SER 12 56.419 -5.773 -4.524 94 H ALA 13 HN ALA 13 55.891 -8.501 -6.134 95 HA ALA 13 HA ALA 13 58.521 -9.229 -5.248 96 HB1 ALA 13 HB1 ALA 13 57.471 -10.815 -3.786 97 HB2 ALA 13 HB2 ALA 13 58.077 -11.735 -5.163 98 HB3 ALA 13 HB3 ALA 13 56.362 -11.341 -5.052 99 H THR 14 HN THR 14 56.528 -11.551 -6.969 100 HA THR 14 HA THR 14 56.626 -12.279 -9.196 101 HB THR 14 HB THR 14 56.344 -10.614 -10.846 102 HG1 THR 14 HG1 THR 14 57.390 -8.574 -9.256 103 HG21 THR 14 HG21 THR 14 54.661 -10.534 -8.963 104 HG22 THR 14 HG22 THR 14 54.812 -9.031 -9.874 105 HG23 THR 14 HG23 THR 14 55.576 -9.183 -8.291 106 H ARG 15 HN ARG 15 59.235 -11.388 -7.507 107 HA ARG 15 HA ARG 15 61.561 -11.447 -7.878 108 HE ARG 15 HE ARG 15 60.657 -15.866 -6.002 109 HB2 ARG 15 HB2 ARG 15 60.515 -13.570 -9.768 110 HB3 ARG 15 HB1 ARG 15 62.229 -13.345 -9.419 111 HG2 ARG 15 HG2 ARG 15 61.911 -13.839 -7.094 112 HG3 ARG 15 HG1 ARG 15 60.156 -13.770 -7.256 113 HD2 ARG 15 HD2 ARG 15 60.287 -15.715 -8.839 114 HD3 ARG 15 HD1 ARG 15 62.010 -15.832 -8.481 115 HH11 ARG 15 HH21 ARG 15 60.893 -17.687 -8.919 116 HH12 ARG 15 HH22 ARG 15 60.563 -19.206 -8.155 117 HH21 ARG 15 HH11 ARG 15 60.225 -17.839 -4.986 118 HH22 ARG 15 HH12 ARG 15 60.185 -19.292 -5.928 119 H VAL 16 HN VAL 16 61.779 -9.331 -8.800 120 HA VAL 16 HA VAL 16 61.639 -9.103 -11.750 121 HB VAL 16 HB VAL 16 62.386 -6.675 -11.114 122 HG11 VAL 16 HG11 VAL 16 60.037 -6.097 -10.586 123 HG12 VAL 16 HG12 VAL 16 59.700 -7.797 -10.259 124 HG13 VAL 16 HG13 VAL 16 60.129 -7.281 -11.890 125 HG21 VAL 16 HG21 VAL 16 61.250 -7.546 -8.451 126 HG22 VAL 16 HG22 VAL 16 62.035 -6.018 -8.853 127 HG23 VAL 16 HG23 VAL 16 62.987 -7.499 -8.751 128 H MET 17 HN MET 17 63.982 -7.103 -10.286 129 HA MET 17 HA MET 17 66.300 -6.966 -10.650 130 HB2 MET 17 HB2 MET 17 66.070 -9.953 -10.169 131 HB3 MET 17 HB1 MET 17 67.552 -9.002 -10.053 132 HG2 MET 17 HG2 MET 17 66.556 -7.653 -8.248 133 HG3 MET 17 HG1 MET 17 65.064 -8.587 -8.367 134 HE1 MET 17 HE1 MET 17 66.588 -8.298 -5.580 135 HE2 MET 17 HE2 MET 17 66.260 -9.944 -5.046 136 HE3 MET 17 HE3 MET 17 65.050 -9.070 -5.982 137 H GLY 18 HN GLY 18 65.837 -6.458 -12.954 138 HA2 GLY 18 HA2 GLY 18 67.251 -7.050 -14.976 139 HA3 GLY 18 HA1 GLY 18 66.642 -8.694 -14.776 140 H GLY 19 HN GLY 19 65.670 -5.377 -15.565 141 HA2 GLY 19 HA2 GLY 19 64.043 -5.910 -17.721 142 HA3 GLY 19 HA1 GLY 19 62.972 -6.179 -16.345 143 HA PRO 20 HA PRO 20 61.866 -1.850 -16.903 144 HB2 PRO 20 HB2 PRO 20 61.260 -2.224 -13.986 145 HB3 PRO 20 HB1 PRO 20 60.279 -1.454 -15.250 146 HG2 PRO 20 HG2 PRO 20 59.755 -3.921 -14.383 147 HG3 PRO 20 HG1 PRO 20 59.533 -3.465 -16.079 148 HD2 PRO 20 HD2 PRO 20 61.613 -5.205 -14.867 149 HD3 PRO 20 HD1 PRO 20 60.998 -5.176 -16.534 150 H1U RCY 21 H1U RCY 21 68.136 -1.927 -6.298 151 H1S RCY 21 H1S RCY 21 66.485 -0.157 -10.409 152 HB1 RCY 21 HB1 RCY 21 66.378 -3.224 -13.418 153 HB2 RCY 21 HB2 RCY 21 65.216 -2.655 -12.219 154 HA RCY 21 HA RCY 21 64.971 -0.537 -13.520 155 HN1 RCY 21 HN1 RCY 21 64.056 -3.119 -14.485 156 H THR 22 HN THR 22 66.075 0.849 -14.816 157 HA THR 22 HA THR 22 67.368 0.016 -17.258 158 HB THR 22 HB THR 22 68.008 2.320 -17.497 159 HG1 THR 22 HG1 THR 22 67.532 2.409 -14.710 160 HG21 THR 22 HG21 THR 22 65.896 3.414 -17.268 161 HG22 THR 22 HG22 THR 22 65.427 2.373 -15.924 162 HG23 THR 22 HG23 THR 22 65.532 1.712 -17.555 163 HA PRO 23 HA PRO 23 71.057 -1.673 -15.241 164 HB2 PRO 23 HB2 PRO 23 72.151 -0.982 -17.948 165 HB3 PRO 23 HB1 PRO 23 72.344 -2.472 -17.002 166 HG2 PRO 23 HG2 PRO 23 70.649 -2.330 -19.055 167 HG3 PRO 23 HG1 PRO 23 70.276 -3.278 -17.606 168 HD2 PRO 23 HD2 PRO 23 69.100 -0.702 -18.514 169 HD3 PRO 23 HD1 PRO 23 68.398 -1.958 -17.471 170 H ARG 24 HN ARG 24 73.095 -0.811 -14.509 171 HA ARG 24 HA ARG 24 74.400 0.954 -13.665 172 HE ARG 24 HE ARG 24 76.645 -0.754 -18.367 173 HB2 ARG 24 HB2 ARG 24 74.035 1.712 -16.576 174 HB3 ARG 24 HB1 ARG 24 75.083 2.616 -15.486 175 HG2 ARG 24 HG2 ARG 24 76.594 1.087 -16.387 176 HG3 ARG 24 HG1 ARG 24 76.072 0.231 -14.936 177 HD2 ARG 24 HD2 ARG 24 75.556 -1.473 -16.340 178 HD3 ARG 24 HD1 ARG 24 74.152 -0.501 -16.780 179 HH11 ARG 24 HH21 ARG 24 73.519 0.595 -17.828 180 HH12 ARG 24 HH22 ARG 24 73.329 1.149 -19.458 181 HH21 ARG 24 HH11 ARG 24 76.416 -0.039 -20.500 182 HH22 ARG 24 HH12 ARG 24 74.970 0.789 -20.971 183 H LYS 25 HN LYS 25 73.530 3.530 -15.589 184 HA LYS 25 HA LYS 25 72.506 5.159 -13.587 185 HB2 LYS 25 HB2 LYS 25 71.347 6.432 -15.433 186 HB3 LYS 25 HB1 LYS 25 73.052 6.106 -15.740 187 HG2 LYS 25 HG2 LYS 25 71.267 3.964 -16.673 188 HG3 LYS 25 HG1 LYS 25 70.994 5.508 -17.481 189 HD2 LYS 25 HD2 LYS 25 73.276 5.647 -18.190 190 HD3 LYS 25 HD1 LYS 25 73.751 4.309 -17.142 191 HE2 LYS 25 HE2 LYS 25 73.412 3.798 -19.658 192 HE3 LYS 25 HE1 LYS 25 72.661 2.707 -18.493 193 HZ1 LYS 25 HZ1 LYS 25 70.599 3.427 -19.003 194 HZ2 LYS 25 HZ2 LYS 25 71.329 3.807 -20.489 195 HZ3 LYS 25 HZ3 LYS 25 71.095 5.018 -19.321 196 H GLY 26 HN GLY 26 70.408 5.644 -12.808 197 HA2 GLY 26 HA2 GLY 26 67.918 4.916 -13.640 198 HA3 GLY 26 HA1 GLY 26 68.514 3.404 -12.955 199 HA PRO 27 HA PRO 27 67.901 4.448 -8.728 200 HB2 PRO 27 HB2 PRO 27 70.760 5.237 -8.328 201 HB3 PRO 27 HB1 PRO 27 69.767 4.093 -7.403 202 HG2 PRO 27 HG2 PRO 27 71.610 3.257 -9.133 203 HG3 PRO 27 HG1 PRO 27 70.078 2.393 -8.917 204 HD2 PRO 27 HD2 PRO 27 70.961 4.117 -11.186 205 HD3 PRO 27 HD1 PRO 27 69.844 2.734 -11.185 206 HA PRO 28 HA PRO 28 66.873 8.773 -8.522 207 HB2 PRO 28 HB2 PRO 28 67.799 8.507 -5.678 208 HB3 PRO 28 HB1 PRO 28 66.316 9.247 -6.313 209 HG2 PRO 28 HG2 PRO 28 66.335 6.801 -5.218 210 HG3 PRO 28 HG1 PRO 28 65.253 7.235 -6.550 211 HD2 PRO 28 HD2 PRO 28 67.597 5.438 -6.574 212 HD3 PRO 28 HD1 PRO 28 66.249 5.544 -7.726 213 H LYS 29 HN LYS 29 67.923 10.888 -8.123 214 HA LYS 29 HA LYS 29 70.906 10.687 -8.226 215 HB2 LYS 29 HB2 LYS 29 69.031 12.842 -9.254 216 HB3 LYS 29 HB1 LYS 29 70.791 12.906 -9.349 217 HG2 LYS 29 HG2 LYS 29 70.898 11.113 -10.873 218 HG3 LYS 29 HG1 LYS 29 69.273 10.557 -10.471 219 HD2 LYS 29 HD2 LYS 29 69.260 11.679 -12.653 220 HD3 LYS 29 HD1 LYS 29 68.336 12.621 -11.482 221 HE2 LYS 29 HE2 LYS 29 69.943 13.967 -12.921 222 HE3 LYS 29 HE1 LYS 29 70.139 14.176 -11.181 223 HZ1 LYS 29 HZ1 LYS 29 72.016 12.817 -11.156 224 HZ2 LYS 29 HZ2 LYS 29 72.220 13.767 -12.550 225 HZ3 LYS 29 HZ3 LYS 29 71.689 12.159 -12.686 226 H1U RCY 30 H1U RCY 30 71.787 10.174 -1.391 227 H1S RCY 30 H1S RCY 30 69.982 11.752 -2.388 228 HB1 RCY 30 HB1 RCY 30 68.353 11.062 -3.495 229 HB2 RCY 30 HB2 RCY 30 67.357 12.376 -4.118 230 HA RCY 30 HA RCY 30 69.359 13.625 -4.770 231 HN1 RCY 30 HN1 RCY 30 68.778 11.042 -5.924 232 H LYS 31 HN LYS 31 71.530 11.405 -5.474 233 HA LYS 31 HA LYS 31 73.159 11.985 -3.040 234 HB2 LYS 31 HB2 LYS 31 74.129 9.593 -3.464 235 HB3 LYS 31 HB1 LYS 31 72.598 9.748 -2.603 236 HG2 LYS 31 HG2 LYS 31 71.331 9.148 -4.512 237 HG3 LYS 31 HG1 LYS 31 72.689 9.426 -5.603 238 HD2 LYS 31 HD2 LYS 31 72.347 7.015 -5.263 239 HD3 LYS 31 HD1 LYS 31 73.891 7.519 -4.577 240 HE2 LYS 31 HE2 LYS 31 73.083 7.411 -2.364 241 HE3 LYS 31 HE1 LYS 31 71.398 7.446 -2.884 242 HZ1 LYS 31 HZ1 LYS 31 73.037 5.237 -3.850 243 HZ2 LYS 31 HZ2 LYS 31 71.404 5.257 -3.383 244 HZ3 LYS 31 HZ3 LYS 31 72.626 5.218 -2.204 245 H GLN 32 HN GLN 32 74.749 13.269 -3.854 246 HA GLN 32 HA GLN 32 75.642 13.122 -6.603 247 HB2 GLN 32 HB2 GLN 32 76.913 14.455 -4.190 248 HB3 GLN 32 HB1 GLN 32 77.392 14.720 -5.866 249 HG2 GLN 32 HG2 GLN 32 75.198 15.618 -6.406 250 HG3 GLN 32 HG1 GLN 32 74.603 15.229 -4.791 251 HE21 GLN 32 HE21 GLN 32 74.786 17.937 -6.028 252 HE22 GLN 32 HE22 GLN 32 75.799 18.845 -5.013 253 H ARG 33 HN ARG 33 75.928 10.604 -6.117 254 HA ARG 33 HA ARG 33 78.209 9.673 -4.700 255 HE ARG 33 HE ARG 33 75.323 7.410 -10.033 256 HB2 ARG 33 HB2 ARG 33 78.060 7.750 -6.466 257 HB3 ARG 33 HB1 ARG 33 76.711 7.986 -5.355 258 HG2 ARG 33 HG2 ARG 33 75.442 9.173 -7.016 259 HG3 ARG 33 HG1 ARG 33 76.831 9.256 -8.100 260 HD2 ARG 33 HD2 ARG 33 76.819 6.802 -8.319 261 HD3 ARG 33 HD1 ARG 33 75.440 6.707 -7.223 262 HH11 ARG 33 HH21 ARG 33 73.979 7.939 -6.903 263 HH12 ARG 33 HH22 ARG 33 72.416 8.381 -7.503 264 HH21 ARG 33 HH11 ARG 33 73.289 7.984 -10.835 265 HH22 ARG 33 HH12 ARG 33 72.025 8.406 -9.729 266 H GLN 34 HN GLN 34 79.735 11.448 -5.317 267 HA GLN 34 HA GLN 34 81.604 10.549 -7.315 268 HB2 GLN 34 HB2 GLN 34 79.842 11.546 -8.793 269 HB3 GLN 34 HB1 GLN 34 80.088 13.091 -7.980 270 HG2 GLN 34 HG2 GLN 34 82.388 13.192 -8.721 271 HG3 GLN 34 HG1 GLN 34 82.299 11.553 -9.370 272 HE21 GLN 34 HE21 GLN 34 82.766 12.311 -11.567 273 HE22 GLN 34 HE22 GLN 34 81.606 13.162 -12.467 274 H THR 35 HN THR 35 82.632 10.856 -5.096 275 HA THR 35 HA THR 35 84.036 13.429 -5.064 276 HB THR 35 HB THR 35 82.487 12.625 -2.591 277 HG1 THR 35 HG1 THR 35 81.818 14.272 -4.767 278 HG21 THR 35 HG21 THR 35 84.571 14.054 -2.411 279 HG22 THR 35 HG22 THR 35 83.101 14.807 -1.791 280 HG23 THR 35 HG23 THR 35 83.731 15.271 -3.372 281 H ARG 36 HN ARG 36 83.481 10.220 -3.754 282 HA ARG 36 HA ARG 36 84.911 8.761 -2.590 283 HE ARG 36 HE ARG 36 88.948 6.383 -2.657 284 HB2 ARG 36 HB2 ARG 36 85.998 9.198 -4.936 285 HB3 ARG 36 HB1 ARG 36 87.192 10.114 -4.017 286 HG2 ARG 36 HG2 ARG 36 86.423 7.232 -3.462 287 HG3 ARG 36 HG1 ARG 36 87.872 7.739 -4.332 288 HD2 ARG 36 HD2 ARG 36 88.322 9.203 -2.210 289 HD3 ARG 36 HD1 ARG 36 87.194 8.100 -1.424 290 HH11 ARG 36 HH21 ARG 36 89.265 9.158 -0.637 291 HH12 ARG 36 HH22 ARG 36 90.745 8.625 0.090 292 HH21 ARG 36 HH11 ARG 36 90.878 5.671 -1.720 293 HH22 ARG 36 HH12 ARG 36 91.658 6.651 -0.524 294 H GLN 37 HN GLN 37 84.765 9.550 -0.461 295 HA GLN 37 HA GLN 37 87.124 11.138 0.431 296 HB2 GLN 37 HB2 GLN 37 85.088 12.626 0.186 297 HB3 GLN 37 HB1 GLN 37 84.312 11.657 1.438 298 HG2 GLN 37 HG2 GLN 37 85.285 13.502 2.588 299 HG3 GLN 37 HG1 GLN 37 86.373 12.145 2.882 300 HE21 GLN 37 HE21 GLN 37 88.517 12.288 2.056 301 HE22 GLN 37 HE22 GLN 37 89.093 13.625 1.183 302 H1U RCY 38 H1U RCY 38 83.315 6.558 2.058 303 H1S RCY 38 H1S RCY 38 82.926 8.061 0.391 304 HB1 RCY 38 HB1 RCY 38 83.515 7.861 3.968 305 HB2 RCY 38 HB2 RCY 38 84.985 6.891 4.025 306 HA RCY 38 HA RCY 38 84.877 9.497 4.806 307 HN1 RCY 38 HN1 RCY 38 84.723 10.726 2.792 308 H LYS 39 HN LYS 39 87.510 10.248 3.444 309 HA LYS 39 HA LYS 39 89.797 9.699 3.622 310 HB2 LYS 39 HB2 LYS 39 88.515 9.277 6.289 311 HB3 LYS 39 HB1 LYS 39 90.173 8.709 6.096 312 HG2 LYS 39 HG2 LYS 39 90.164 11.027 6.905 313 HG3 LYS 39 HG1 LYS 39 90.831 10.955 5.273 314 HD2 LYS 39 HD2 LYS 39 88.644 11.610 4.343 315 HD3 LYS 39 HD1 LYS 39 87.968 11.676 5.971 316 HE2 LYS 39 HE2 LYS 39 89.585 13.436 6.577 317 HE3 LYS 39 HE1 LYS 39 90.271 13.369 4.954 318 HZ1 LYS 39 HZ1 LYS 39 88.193 14.069 4.033 319 HZ2 LYS 39 HZ2 LYS 39 88.630 15.165 5.255 320 HZ3 LYS 39 HZ3 LYS 39 87.431 13.997 5.547 321 H SER 40 HN SER 40 88.824 7.816 2.058 322 HA SER 40 HA SER 40 88.934 5.551 1.426 323 HG SER 40 HG SER 40 91.846 6.570 3.614 324 HB2 SER 40 HB2 SER 40 91.053 4.466 2.012 325 HB3 SER 40 HB1 SER 40 91.340 6.152 1.595 326 H LYS 41 HN LYS 41 90.522 4.372 4.193 327 HA LYS 41 HA LYS 41 87.991 3.092 5.107 328 HB2 LYS 41 HB2 LYS 41 89.814 1.577 4.464 329 HB3 LYS 41 HB1 LYS 41 90.891 2.372 5.608 330 HG2 LYS 41 HG2 LYS 41 88.605 1.703 7.104 331 HG3 LYS 41 HG1 LYS 41 88.929 0.290 6.100 332 HD2 LYS 41 HD2 LYS 41 91.076 1.683 7.716 333 HD3 LYS 41 HD1 LYS 41 90.138 0.325 8.337 334 HE2 LYS 41 HE2 LYS 41 90.902 -1.084 6.482 335 HE3 LYS 41 HE1 LYS 41 91.795 0.274 5.797 336 HZ1 LYS 41 HZ1 LYS 41 92.272 -0.922 8.473 337 HZ2 LYS 41 HZ2 LYS 41 93.147 0.360 7.783 338 HZ3 LYS 41 HZ3 LYS 41 93.224 -1.192 7.095 339 HA PRO 42 HA PRO 42 88.671 5.992 8.554 340 HB2 PRO 42 HB2 PRO 42 86.111 6.020 9.469 341 HB3 PRO 42 HB1 PRO 42 86.620 6.934 8.036 342 HG2 PRO 42 HG2 PRO 42 85.144 4.364 8.209 343 HG3 PRO 42 HG1 PRO 42 84.965 5.696 7.058 344 HD2 PRO 42 HD2 PRO 42 86.337 3.328 6.539 345 HD3 PRO 42 HD1 PRO 42 86.565 4.848 5.648 346 HA PRO 43 HA PRO 43 89.124 3.180 11.941 347 HB2 PRO 43 HB2 PRO 43 88.627 4.805 14.103 348 HB3 PRO 43 HB1 PRO 43 90.125 4.864 13.153 349 HG2 PRO 43 HG2 PRO 43 87.741 6.640 13.031 350 HG3 PRO 43 HG1 PRO 43 89.462 7.046 12.905 351 HD2 PRO 43 HD2 PRO 43 87.827 6.867 10.721 352 HD3 PRO 43 HD1 PRO 43 89.565 6.502 10.654 353 H LYS 44 HN LYS 44 87.706 1.596 12.529 354 HA LYS 44 HA LYS 44 84.851 2.288 12.933 355 HB2 LYS 44 HB2 LYS 44 86.314 -0.351 12.656 356 HB3 LYS 44 HB1 LYS 44 84.587 -0.228 12.993 357 HG2 LYS 44 HG2 LYS 44 84.285 1.096 10.921 358 HG3 LYS 44 HG1 LYS 44 86.006 0.926 10.575 359 HD2 LYS 44 HD2 LYS 44 85.146 -0.842 9.337 360 HD3 LYS 44 HD1 LYS 44 85.489 -1.651 10.867 361 HE2 LYS 44 HE2 LYS 44 83.217 -2.197 10.038 362 HE3 LYS 44 HE1 LYS 44 83.159 -1.337 11.577 363 HZ1 LYS 44 HZ1 LYS 44 82.953 0.039 8.962 364 HZ2 LYS 44 HZ2 LYS 44 82.594 0.662 10.501 365 HZ3 LYS 44 HZ3 LYS 44 81.596 -0.526 9.808 366 H LYS 45 HN LYS 45 83.875 2.207 14.925 367 HA LYS 45 HA LYS 45 85.614 1.798 17.271 368 HB2 LYS 45 HB2 LYS 45 82.805 2.825 16.860 369 HB3 LYS 45 HB1 LYS 45 83.395 2.428 18.474 370 HG2 LYS 45 HG2 LYS 45 85.103 4.152 16.719 371 HG3 LYS 45 HG1 LYS 45 83.693 4.877 17.492 372 HD2 LYS 45 HD2 LYS 45 84.495 4.391 19.668 373 HD3 LYS 45 HD1 LYS 45 85.682 3.236 19.062 374 HE2 LYS 45 HE2 LYS 45 86.796 5.331 19.682 375 HE3 LYS 45 HE1 LYS 45 86.886 5.093 17.937 376 HZ1 LYS 45 HZ1 LYS 45 86.028 7.339 19.083 377 HZ2 LYS 45 HZ2 LYS 45 84.551 6.524 18.885 378 HZ3 LYS 45 HZ3 LYS 45 85.543 6.829 17.540 379 H GLY 46 HN GLY 46 82.762 0.319 15.762 380 HA2 GLY 46 HA2 GLY 46 82.996 -2.280 16.096 381 HA3 GLY 46 HA1 GLY 46 82.831 -1.851 17.800 382 H VAL 47 HN VAL 47 80.816 -2.977 17.987 383 HA VAL 47 HA VAL 47 78.579 -2.162 16.253 384 HB VAL 47 HB VAL 47 78.785 -4.064 18.603 385 HG11 VAL 47 HG11 VAL 47 76.560 -3.220 18.705 386 HG12 VAL 47 HG12 VAL 47 76.439 -4.731 17.804 387 HG13 VAL 47 HG13 VAL 47 76.411 -3.190 16.948 388 HG21 VAL 47 HG21 VAL 47 78.301 -5.740 16.807 389 HG22 VAL 47 HG22 VAL 47 79.816 -4.875 16.543 390 HG23 VAL 47 HG23 VAL 47 78.378 -4.439 15.618 391 H GLN 48 HN GLN 48 78.186 0.011 16.749 392 HA GLN 48 HA GLN 48 76.936 0.480 19.405 393 HB2 GLN 48 HB2 GLN 48 79.097 2.236 18.194 394 HB3 GLN 48 HB1 GLN 48 78.133 2.656 19.610 395 HG2 GLN 48 HG2 GLN 48 80.073 1.735 20.564 396 HG3 GLN 48 HG1 GLN 48 78.957 0.369 20.556 397 HE21 GLN 48 HE21 GLN 48 80.578 -1.285 20.310 398 HE22 GLN 48 HE22 GLN 48 81.521 -1.434 18.907 399 H GLY 49 HN GLY 49 77.095 0.977 16.027 400 HA2 GLY 49 HA2 GLY 49 74.551 1.843 15.559 401 HA3 GLY 49 HA1 GLY 49 75.361 3.346 16.006 402 H1U RCY 50 H1U RCY 50 75.266 5.127 5.413 403 H1S RCY 50 H1S RCY 50 73.570 3.229 9.442 404 HB1 RCY 50 HB1 RCY 50 75.997 4.975 10.446 405 HB2 RCY 50 HB2 RCY 50 75.689 5.802 11.972 406 HA RCY 50 HA RCY 50 76.417 2.872 11.658 407 HN1 RCY 50 HN1 RCY 50 75.491 4.376 14.026 408 H GLY 51 HN GLY 51 77.441 6.102 11.619 409 HA2 GLY 51 HA2 GLY 51 80.235 5.302 11.517 410 HA3 GLY 51 HA1 GLY 51 79.629 6.954 11.391 411 H ASP 52 HN ASP 52 79.827 8.264 13.164 412 HA ASP 52 HA ASP 52 80.032 7.118 15.863 413 HB2 ASP 52 HB2 ASP 52 82.343 6.889 15.121 414 HB3 ASP 52 HB1 ASP 52 82.364 8.564 14.569 415 H ASP 53 HN ASP 53 79.711 9.788 13.675 416 HA ASP 53 HA ASP 53 78.193 11.321 15.582 417 HB2 ASP 53 HB2 ASP 53 79.774 13.268 15.713 418 HB3 ASP 53 HB1 ASP 53 80.362 11.834 16.556 419 H ILE 54 HN ILE 54 80.023 11.192 12.575 420 HA ILE 54 HA ILE 54 78.586 13.464 11.419 421 HB ILE 54 HB ILE 54 80.954 12.861 10.808 422 HG12 ILE 54 HG12 ILE 54 80.410 12.908 8.233 423 HG13 ILE 54 HG11 ILE 54 78.746 13.108 8.783 424 HG21 ILE 54 HG21 ILE 54 79.738 10.666 9.135 425 HG22 ILE 54 HG22 ILE 54 80.318 10.346 10.770 426 HG23 ILE 54 HG23 ILE 54 81.435 10.932 9.537 427 HD11 ILE 54 HD11 ILE 54 81.043 14.846 9.721 428 HD12 ILE 54 HD12 ILE 54 79.324 15.097 10.027 429 HD13 ILE 54 HD13 ILE 54 79.965 15.281 8.394 430 HA PRO 55 HA PRO 55 75.229 10.715 10.211 431 HB2 PRO 55 HB2 PRO 55 73.635 12.560 9.013 432 HB3 PRO 55 HB1 PRO 55 73.822 12.466 10.776 433 HG2 PRO 55 HG2 PRO 55 75.090 14.344 8.847 434 HG3 PRO 55 HG1 PRO 55 74.455 14.651 10.471 435 HD2 PRO 55 HD2 PRO 55 77.141 14.317 9.909 436 HD3 PRO 55 HD1 PRO 55 76.413 14.000 11.499 437 H GLY 56 HN GLY 56 75.130 9.408 8.434 438 HA2 GLY 56 HA2 GLY 56 75.647 8.620 6.272 439 HA3 GLY 56 HA1 GLY 56 74.800 10.084 5.774 440 H MET 57 HN MET 57 77.975 9.534 7.343 441 HA MET 57 HA MET 57 80.060 10.497 6.829 442 HB2 MET 57 HB2 MET 57 79.621 8.753 4.982 443 HB3 MET 57 HB1 MET 57 79.226 10.126 3.949 444 HG2 MET 57 HG2 MET 57 81.567 9.629 3.625 445 HG3 MET 57 HG1 MET 57 81.466 11.121 4.559 446 HE1 MET 57 HE1 MET 57 83.664 10.565 7.349 447 HE2 MET 57 HE2 MET 57 82.202 11.456 6.934 448 HE3 MET 57 HE3 MET 57 83.508 11.322 5.759 449 H GLU 58 HN GLU 58 79.924 11.794 3.861 450 HA GLU 58 HA GLU 58 78.466 14.259 4.400 451 HB2 GLU 58 HB2 GLU 58 80.558 14.476 5.807 452 HB3 GLU 58 HB1 GLU 58 81.491 14.423 4.310 453 HG2 GLU 58 HG2 GLU 58 80.432 16.427 3.490 454 HG3 GLU 58 HG1 GLU 58 79.270 16.420 4.818 455 H GLY 59 HN GLY 59 80.072 12.092 2.364 456 HA2 GLY 59 HA2 GLY 59 79.225 13.602 0.004 457 HA3 GLY 59 HA1 GLY 59 80.975 13.438 0.149 458 H1U RCY 60 H1U RCY 60 74.400 10.666 -2.173 459 H1S RCY 60 H1S RCY 60 75.865 7.757 0.163 460 HB1 RCY 60 HB1 RCY 60 78.443 7.919 -0.832 461 HB2 RCY 60 HB2 RCY 60 78.362 9.611 -1.324 462 HA RCY 60 HA RCY 60 80.050 8.491 0.936 463 HN1 RCY 60 HN1 RCY 60 80.024 10.742 1.610 464 H GLY 61 HN GLY 61 79.817 7.721 -1.961 465 HA2 GLY 61 HA2 GLY 61 81.555 8.649 -3.795 466 HA3 GLY 61 HA1 GLY 61 82.687 8.018 -2.597 467 H THR 62 HN THR 62 80.013 7.096 -4.740 468 HA THR 62 HA THR 62 81.258 4.437 -5.071 469 HB THR 62 HB THR 62 79.098 3.274 -4.608 470 HG1 THR 62 HG1 THR 62 78.156 5.681 -4.690 471 HG21 THR 62 HG21 THR 62 80.948 3.624 -2.879 472 HG22 THR 62 HG22 THR 62 79.347 3.257 -2.237 473 HG23 THR 62 HG23 THR 62 79.946 4.916 -2.217 474 H ASP 63 HN ASP 63 81.431 5.946 -7.121 475 HA ASP 63 HA ASP 63 79.056 6.272 -8.736 476 HB2 ASP 63 HB2 ASP 63 80.639 6.767 -10.563 477 HB3 ASP 63 HB1 ASP 63 81.101 7.625 -9.092 478 H ILE 64 HN ILE 64 79.551 3.559 -7.624 479 HA ILE 64 HA ILE 64 79.660 1.313 -8.320 480 HB ILE 64 HB ILE 64 78.094 2.466 -10.644 481 HG12 ILE 64 HG12 ILE 64 76.224 1.531 -8.935 482 HG13 ILE 64 HG11 ILE 64 77.448 2.035 -7.770 483 HG21 ILE 64 HG21 ILE 64 78.251 -0.284 -9.379 484 HG22 ILE 64 HG22 ILE 64 78.702 0.157 -11.026 485 HG23 ILE 64 HG23 ILE 64 77.008 0.190 -10.537 486 HD11 ILE 64 HD11 ILE 64 77.468 4.282 -8.659 487 HD12 ILE 64 HD12 ILE 64 75.788 3.840 -8.358 488 HD13 ILE 64 HD13 ILE 64 76.426 3.811 -10.002 489 H THR 65 HN THR 65 82.035 1.611 -8.782 490 HA THR 65 HA THR 65 82.891 2.090 -11.501 491 HB THR 65 HB THR 65 84.312 0.707 -9.200 492 HG1 THR 65 HG1 THR 65 84.822 2.649 -8.603 493 HG21 THR 65 HG21 THR 65 85.709 0.054 -10.871 494 HG22 THR 65 HG22 THR 65 86.247 1.733 -10.837 495 HG23 THR 65 HG23 THR 65 85.039 1.218 -12.014 496 H VAL 66 HN VAL 66 80.806 0.316 -11.615 497 HA VAL 66 HA VAL 66 80.229 -1.678 -12.696 498 HB VAL 66 HB VAL 66 83.117 -2.426 -13.022 499 HG11 VAL 66 HG11 VAL 66 81.219 -3.786 -13.944 500 HG12 VAL 66 HG12 VAL 66 82.326 -3.199 -15.185 501 HG13 VAL 66 HG13 VAL 66 80.771 -2.403 -14.943 502 HG21 VAL 66 HG21 VAL 66 81.810 0.062 -14.007 503 HG22 VAL 66 HG22 VAL 66 82.780 -0.835 -15.176 504 HG23 VAL 66 HG23 VAL 66 83.513 -0.258 -13.679 505 H ILE 67 HN ILE 67 82.379 -1.511 -10.030 506 HA ILE 67 HA ILE 67 81.456 -4.209 -9.150 507 HB ILE 67 HB ILE 67 84.277 -3.176 -8.755 508 HG12 ILE 67 HG12 ILE 67 83.223 -5.259 -10.697 509 HG13 ILE 67 HG11 ILE 67 83.833 -3.664 -11.140 510 HG21 ILE 67 HG21 ILE 67 83.350 -4.771 -7.055 511 HG22 ILE 67 HG22 ILE 67 84.717 -5.429 -7.955 512 HG23 ILE 67 HG23 ILE 67 83.075 -5.931 -8.355 513 HD11 ILE 67 HD11 ILE 67 85.372 -5.965 -9.923 514 HD12 ILE 67 HD12 ILE 67 86.004 -4.318 -9.962 515 HD13 ILE 67 HD13 ILE 67 85.660 -5.167 -11.469 516 H1U RCY 68 H1U RCY 68 76.708 2.206 -2.968 517 H1S RCY 68 H1S RCY 68 77.433 -0.027 -4.645 518 HB1 RCY 68 HB1 RCY 68 78.394 -1.915 -5.053 519 HB2 RCY 68 HB2 RCY 68 78.431 -1.897 -6.815 520 HA RCY 68 HA RCY 68 81.058 -1.301 -5.714 521 HN1 RCY 68 HN1 RCY 68 79.963 -3.185 -7.721 522 HA PRO 69 HA PRO 69 81.809 -3.913 -2.256 523 HB2 PRO 69 HB2 PRO 69 79.225 -2.887 -1.113 524 HB3 PRO 69 HB1 PRO 69 80.809 -3.059 -0.330 525 HG2 PRO 69 HG2 PRO 69 79.886 -0.702 -1.244 526 HG3 PRO 69 HG1 PRO 69 81.607 -1.115 -1.213 527 HD2 PRO 69 HD2 PRO 69 79.841 -0.775 -3.533 528 HD3 PRO 69 HD1 PRO 69 81.615 -0.863 -3.480 529 H TRP 70 HN TRP 70 78.550 -3.899 -3.614 530 HA TRP 70 HA TRP 70 77.602 -6.336 -2.475 531 HD1 TRP 70 HD1 TRP 70 75.583 -7.967 -3.250 532 HE1 TRP 70 HE1 TRP 70 74.750 -9.564 -5.093 533 HE3 TRP 70 HE3 TRP 70 76.673 -5.182 -7.388 534 HZ2 TRP 70 HZ2 TRP 70 74.569 -9.650 -7.950 535 HZ3 TRP 70 HZ3 TRP 70 76.162 -6.042 -9.652 536 HH2 TRP 70 HH2 TRP 70 75.113 -8.268 -9.941 537 HB2 TRP 70 HB2 TRP 70 75.942 -5.091 -3.564 538 HB3 TRP 70 HB1 TRP 70 76.962 -4.771 -4.965 539 H GLU 71 HN GLU 71 80.253 -5.830 -4.420 540 HA GLU 71 HA GLU 71 80.276 -8.697 -5.251 541 HB2 GLU 71 HB2 GLU 71 81.171 -6.355 -6.963 542 HB3 GLU 71 HB1 GLU 71 81.302 -8.059 -7.397 543 HG2 GLU 71 HG2 GLU 71 78.684 -6.668 -6.768 544 HG3 GLU 71 HG1 GLU 71 79.298 -6.927 -8.401 545 H ALA 72 HN ALA 72 82.133 -5.731 -4.632 546 HA ALA 72 HA ALA 72 84.681 -7.142 -4.544 547 HB1 ALA 72 HB1 ALA 72 85.471 -4.950 -3.513 548 HB2 ALA 72 HB2 ALA 72 83.817 -4.367 -3.698 549 HB3 ALA 72 HB3 ALA 72 84.758 -4.815 -5.121 550 H1U RCY 73 H1U RCY 73 78.521 -1.828 1.906 551 H1S RCY 73 H1S RCY 73 79.398 -6.525 1.735 552 HB1 RCY 73 HB1 RCY 73 80.864 -7.300 -0.192 553 HB2 RCY 73 HB2 RCY 73 81.326 -5.608 -0.006 554 HA RCY 73 HA RCY 73 83.724 -6.384 0.211 555 HN1 RCY 73 HN1 RCY 73 82.292 -6.044 -2.167 556 H ASN 74 HN ASN 74 85.044 -8.105 0.602 557 HA ASN 74 HA ASN 74 83.825 -10.789 0.700 558 HB2 ASN 74 HB2 ASN 74 84.823 -10.420 -1.638 559 HB3 ASN 74 HB1 ASN 74 86.398 -10.411 -0.842 560 HD21 ASN 74 HD21 ASN 74 84.577 -12.468 -2.561 561 HD22 ASN 74 HD22 ASN 74 84.913 -13.934 -1.774 562 H HIS 75 HN HIS 75 84.770 -8.994 2.725 563 HA HIS 75 HA HIS 75 86.455 -10.776 4.222 564 HD1 HIS 75 HD1 HIS 75 89.009 -8.612 5.963 565 HD2 HIS 75 HD2 HIS 75 89.394 -11.837 3.346 566 HE1 HIS 75 HE1 HIS 75 90.713 -10.174 6.998 567 HE2 HIS 75 HE2 HIS 75 90.956 -12.141 5.415 568 HB2 HIS 75 HB2 HIS 75 87.999 -9.498 2.463 569 HB3 HIS 75 HB1 HIS 75 87.900 -8.207 3.659 570 H1U RCY 76 H1U RCY 76 82.918 -1.011 5.792 571 H1S RCY 76 H1S RCY 76 86.483 -3.204 6.456 572 HB1 RCY 76 HB1 RCY 76 85.286 -5.641 7.246 573 HB2 RCY 76 HB2 RCY 76 85.050 -6.390 5.668 574 HA RCY 76 HA RCY 76 87.084 -7.357 7.694 575 HN1 RCY 76 HN1 RCY 76 87.682 -8.611 5.800 576 H GLU 77 HN GLU 77 83.765 -7.563 6.491 577 HA GLU 77 HA GLU 77 82.726 -8.433 9.006 578 HB2 GLU 77 HB2 GLU 77 81.612 -8.476 6.195 579 HB3 GLU 77 HB1 GLU 77 80.687 -9.069 7.574 580 HG2 GLU 77 HG2 GLU 77 80.131 -6.722 7.158 581 HG3 GLU 77 HG1 GLU 77 80.991 -6.866 8.691 582 H LEU 78 HN LEU 78 81.632 -10.570 9.375 583 HA LEU 78 HA LEU 78 82.541 -12.833 7.748 584 HG LEU 78 HG LEU 78 83.054 -14.925 9.308 585 HB2 LEU 78 HB2 LEU 78 84.466 -12.258 9.329 586 HB3 LEU 78 HB1 LEU 78 83.397 -12.728 10.649 587 HD11 LEU 78 HD11 LEU 78 85.477 -13.707 7.977 588 HD12 LEU 78 HD12 LEU 78 84.042 -14.392 7.215 589 HD13 LEU 78 HD13 LEU 78 85.212 -15.450 8.003 590 HD21 LEU 78 HD21 LEU 78 85.151 -15.875 10.294 591 HD22 LEU 78 HD22 LEU 78 84.265 -14.852 11.425 592 HD23 LEU 78 HD23 LEU 78 85.703 -14.232 10.615 593 H HIS 79 HN HIS 79 80.046 -12.562 7.801 594 HA HIS 79 HA HIS 79 78.981 -14.630 9.530 595 HD1 HIS 79 HD1 HIS 79 78.347 -11.536 7.837 596 HD2 HIS 79 HD2 HIS 79 78.043 -10.121 11.749 597 HE1 HIS 79 HE1 HIS 79 78.220 -9.012 7.677 598 HE2 HIS 79 HE2 HIS 79 78.035 -8.138 10.052 599 HB2 HIS 79 HB2 HIS 79 77.278 -13.115 10.627 600 HB3 HIS 79 HB1 HIS 79 78.931 -12.889 11.199 601 H GLU 80 HN GLU 80 76.408 -14.537 9.253 602 HA GLU 80 HA GLU 80 74.751 -14.955 7.647 603 HB2 GLU 80 HB2 GLU 80 75.524 -12.248 6.560 604 HB3 GLU 80 HB1 GLU 80 73.917 -12.966 6.680 605 HG2 GLU 80 HG2 GLU 80 74.113 -12.884 9.170 606 HG3 GLU 80 HG1 GLU 80 75.654 -12.044 8.988 607 H LEU 81 HN LEU 81 74.468 -14.141 5.046 608 HA LEU 81 HA LEU 81 75.999 -16.010 3.573 609 HG LEU 81 HG LEU 81 75.561 -12.731 1.869 610 HB2 LEU 81 HB2 LEU 81 74.974 -15.053 1.625 611 HB3 LEU 81 HB1 LEU 81 73.789 -14.948 2.925 612 HD11 LEU 81 HD11 LEU 81 73.391 -11.625 1.469 613 HD12 LEU 81 HD12 LEU 81 72.552 -13.031 2.124 614 HD13 LEU 81 HD13 LEU 81 73.473 -13.172 0.626 615 HD21 LEU 81 HD21 LEU 81 75.581 -12.484 4.256 616 HD22 LEU 81 HD22 LEU 81 73.869 -12.888 4.376 617 HD23 LEU 81 HD23 LEU 81 74.365 -11.357 3.655 618 H ALA 82 HN ALA 82 77.489 -13.681 5.107 619 HA ALA 82 HA ALA 82 78.881 -12.210 3.058 620 HB1 ALA 82 HB1 ALA 82 79.927 -12.858 5.825 621 HB2 ALA 82 HB2 ALA 82 78.750 -11.581 5.512 622 HB3 ALA 82 HB3 ALA 82 80.363 -11.487 4.806 623 H GLN 83 HN GLN 83 78.859 -14.907 2.269 624 HA GLN 83 HA GLN 83 81.721 -15.345 1.906 625 HB2 GLN 83 HB2 GLN 83 81.071 -16.414 4.170 626 HB3 GLN 83 HB1 GLN 83 80.188 -17.600 3.208 627 HG2 GLN 83 HG2 GLN 83 82.307 -18.593 3.465 628 HG3 GLN 83 HG1 GLN 83 82.408 -17.840 1.873 629 HE21 GLN 83 HE21 GLN 83 83.499 -15.650 1.792 630 HE22 GLN 83 HE22 GLN 83 84.692 -15.289 2.944 631 H TYR 84 HN TYR 84 78.426 -15.888 1.155 632 HA TYR 84 HA TYR 84 79.251 -17.277 -1.352 633 HD1 TYR 84 HD2 TYR 84 80.001 -19.721 -0.676 634 HD2 TYR 84 HD1 TYR 84 75.993 -19.297 -2.162 635 HE1 TYR 84 HE2 TYR 84 80.442 -21.480 -2.368 636 HE2 TYR 84 HE1 TYR 84 76.434 -21.056 -3.853 637 HH TYR 84 HH TYR 84 79.551 -22.163 -4.582 638 HB2 TYR 84 HB2 TYR 84 78.044 -18.659 0.688 639 HB3 TYR 84 HB1 TYR 84 76.639 -18.127 -0.233 640 H GLY 85 HN GLY 85 78.118 -14.550 -0.218 641 HA2 GLY 85 HA2 GLY 85 76.477 -14.024 -2.599 642 HA3 GLY 85 HA1 GLY 85 75.628 -13.852 -1.061 643 H ILE 86 HN ILE 86 78.513 -13.098 -0.049 644 HA ILE 86 HA ILE 86 79.236 -10.964 0.725 645 HB ILE 86 HB ILE 86 80.288 -9.748 -1.294 646 HG12 ILE 86 HG12 ILE 86 79.329 -12.286 -2.656 647 HG13 ILE 86 HG11 ILE 86 78.676 -10.675 -2.956 648 HG21 ILE 86 HG21 ILE 86 82.043 -11.428 -1.472 649 HG22 ILE 86 HG22 ILE 86 80.944 -12.683 -0.898 650 HG23 ILE 86 HG23 ILE 86 81.455 -11.392 0.190 651 HD11 ILE 86 HD11 ILE 86 81.089 -9.976 -3.497 652 HD12 ILE 86 HD12 ILE 86 80.283 -11.011 -4.676 653 HD13 ILE 86 HD13 ILE 86 81.455 -11.700 -3.553 654 H1U RCY 87 H1U RCY 87 76.670 -3.374 -2.292 655 H1S RCY 87 H1S RCY 87 75.407 -6.917 -0.072 656 HB1 RCY 87 HB1 RCY 87 75.612 -8.716 2.553 657 HB2 RCY 87 HB2 RCY 87 74.401 -9.489 1.530 658 HA RCY 87 HA RCY 87 75.436 -8.650 -0.469 659 HN1 RCY 87 HN1 RCY 87 77.052 -10.191 1.348 Start of MODEL 8 1 HA MET 1 HA MET 1 60.089 -13.801 17.594 2 HB2 MET 1 HB2 MET 1 62.026 -15.337 16.934 3 HB3 MET 1 HB1 MET 1 62.899 -14.666 18.311 4 HG2 MET 1 HG2 MET 1 61.851 -16.605 19.178 5 HG3 MET 1 HG1 MET 1 60.811 -15.279 19.699 6 HE1 MET 1 HE1 MET 1 58.500 -16.013 19.908 7 HE2 MET 1 HE2 MET 1 59.322 -17.559 20.103 8 HE3 MET 1 HE3 MET 1 57.871 -17.460 19.108 9 H ASN 2 HN ASN 2 62.412 -14.122 19.912 10 HA ASN 2 HA ASN 2 61.174 -12.227 21.683 11 HB2 ASN 2 HB2 ASN 2 62.358 -14.295 22.438 12 HB3 ASN 2 HB1 ASN 2 63.887 -13.558 21.958 13 HD21 ASN 2 HD21 ASN 2 61.917 -14.013 24.625 14 HD22 ASN 2 HD22 ASN 2 62.426 -12.694 25.565 15 H LEU 3 HN LEU 3 64.064 -12.123 19.653 16 HA LEU 3 HA LEU 3 64.068 -9.222 19.714 17 HG LEU 3 HG LEU 3 64.824 -7.944 21.471 18 HB2 LEU 3 HB2 LEU 3 65.361 -10.348 21.858 19 HB3 LEU 3 HB1 LEU 3 66.682 -10.215 20.700 20 HD11 LEU 3 HD11 LEU 3 66.412 -8.732 23.277 21 HD12 LEU 3 HD12 LEU 3 66.665 -7.065 22.759 22 HD13 LEU 3 HD13 LEU 3 67.742 -8.340 22.186 23 HD21 LEU 3 HD21 LEU 3 66.716 -6.635 20.310 24 HD22 LEU 3 HD22 LEU 3 65.624 -7.546 19.267 25 HD23 LEU 3 HD23 LEU 3 67.222 -8.189 19.647 26 H GLU 4 HN GLU 4 64.846 -12.186 18.390 27 HA GLU 4 HA GLU 4 67.165 -11.631 16.842 28 HB2 GLU 4 HB2 GLU 4 64.777 -13.416 16.307 29 HB3 GLU 4 HB1 GLU 4 66.203 -13.383 15.270 30 HG2 GLU 4 HG2 GLU 4 66.303 -13.923 18.250 31 HG3 GLU 4 HG1 GLU 4 66.262 -15.191 17.024 32 HA PRO 5 HA PRO 5 66.190 -8.555 13.839 33 HB2 PRO 5 HB2 PRO 5 66.698 -10.721 11.822 34 HB3 PRO 5 HB1 PRO 5 67.301 -9.052 11.853 35 HG2 PRO 5 HG2 PRO 5 68.812 -11.134 12.612 36 HG3 PRO 5 HG1 PRO 5 68.955 -9.535 13.358 37 HD2 PRO 5 HD2 PRO 5 67.879 -12.028 14.512 38 HD3 PRO 5 HD1 PRO 5 68.427 -10.553 15.336 39 HA PRO 6 HA PRO 6 61.955 -9.418 12.743 40 HB2 PRO 6 HB2 PRO 6 61.475 -7.382 10.997 41 HB3 PRO 6 HB1 PRO 6 61.661 -7.121 12.743 42 HG2 PRO 6 HG2 PRO 6 63.637 -6.700 10.557 43 HG3 PRO 6 HG1 PRO 6 63.305 -5.707 11.986 44 HD2 PRO 6 HD2 PRO 6 65.426 -7.446 11.827 45 HD3 PRO 6 HD1 PRO 6 64.646 -6.996 13.359 46 H LYS 7 HN LYS 7 61.050 -10.842 11.302 47 HA LYS 7 HA LYS 7 62.520 -11.584 8.895 48 HB2 LYS 7 HB2 LYS 7 59.736 -12.503 9.600 49 HB3 LYS 7 HB1 LYS 7 60.976 -13.368 8.691 50 HG2 LYS 7 HG2 LYS 7 61.072 -12.690 11.646 51 HG3 LYS 7 HG1 LYS 7 60.821 -14.292 10.953 52 HD2 LYS 7 HD2 LYS 7 63.068 -13.950 9.757 53 HD3 LYS 7 HD1 LYS 7 63.315 -12.589 10.851 54 HE2 LYS 7 HE2 LYS 7 62.859 -14.182 12.770 55 HE3 LYS 7 HE1 LYS 7 62.917 -15.497 11.596 56 HZ1 LYS 7 HZ1 LYS 7 65.069 -13.797 12.595 57 HZ2 LYS 7 HZ2 LYS 7 65.151 -14.272 10.966 58 HZ3 LYS 7 HZ3 LYS 7 65.087 -15.445 12.193 59 H ALA 8 HN ALA 8 59.147 -10.587 9.377 60 HA ALA 8 HA ALA 8 57.687 -9.423 7.951 61 HB1 ALA 8 HB1 ALA 8 59.211 -7.577 8.541 62 HB2 ALA 8 HB2 ALA 8 58.660 -7.425 6.873 63 HB3 ALA 8 HB3 ALA 8 60.281 -8.032 7.215 64 H GLU 9 HN GLU 9 59.776 -11.637 6.851 65 HA GLU 9 HA GLU 9 60.113 -12.703 4.785 66 HB2 GLU 9 HB2 GLU 9 57.393 -11.462 4.265 67 HB3 GLU 9 HB1 GLU 9 58.112 -12.777 3.335 68 HG2 GLU 9 HG2 GLU 9 56.668 -13.838 4.904 69 HG3 GLU 9 HG1 GLU 9 58.294 -14.044 5.555 70 H1U RCY 10 H1U RCY 10 58.162 -15.287 -2.976 71 H1S RCY 10 H1S RCY 10 58.876 -10.831 -1.945 72 HB1 RCY 10 HB1 RCY 10 58.491 -9.079 -0.001 73 HB2 RCY 10 HB2 RCY 10 58.589 -10.760 0.520 74 HA RCY 10 HA RCY 10 60.687 -9.325 1.827 75 HN1 RCY 10 HN1 RCY 10 58.212 -10.651 2.854 76 H ARG 11 HN ARG 11 57.222 -8.521 1.486 77 HA ARG 11 HA ARG 11 57.861 -5.693 1.981 78 HE ARG 11 HE ARG 11 55.977 -5.257 -3.017 79 HB2 ARG 11 HB2 ARG 11 55.156 -6.986 1.524 80 HB3 ARG 11 HB1 ARG 11 55.543 -5.271 1.389 81 HG2 ARG 11 HG2 ARG 11 57.252 -5.945 -0.393 82 HG3 ARG 11 HG1 ARG 11 56.479 -7.530 -0.389 83 HD2 ARG 11 HD2 ARG 11 54.331 -6.526 -0.974 84 HD3 ARG 11 HD1 ARG 11 55.033 -4.910 -0.880 85 HH11 ARG 11 HH21 ARG 11 54.945 -8.200 -1.547 86 HH12 ARG 11 HH22 ARG 11 55.223 -9.160 -2.961 87 HH21 ARG 11 HH11 ARG 11 56.346 -6.494 -4.873 88 HH22 ARG 11 HH12 ARG 11 56.017 -8.194 -4.845 89 H SER 12 HN SER 12 55.121 -5.306 3.196 90 HA SER 12 HA SER 12 54.221 -5.095 5.351 91 HG SER 12 HG SER 12 53.638 -8.440 5.229 92 HB2 SER 12 HB2 SER 12 55.799 -7.523 6.180 93 HB3 SER 12 HB1 SER 12 54.195 -7.017 6.701 94 H ALA 13 HN ALA 13 54.897 -3.625 6.834 95 HA ALA 13 HA ALA 13 57.420 -3.945 8.259 96 HB1 ALA 13 HB1 ALA 13 58.062 -2.917 6.016 97 HB2 ALA 13 HB2 ALA 13 58.549 -1.997 7.439 98 HB3 ALA 13 HB3 ALA 13 57.141 -1.494 6.504 99 H THR 14 HN THR 14 54.568 -3.639 8.864 100 HA THR 14 HA THR 14 53.184 -2.469 10.344 101 HB THR 14 HB THR 14 54.260 -1.501 12.265 102 HG1 THR 14 HG1 THR 14 56.797 -1.621 11.159 103 HG21 THR 14 HG21 THR 14 54.500 -3.945 12.037 104 HG22 THR 14 HG22 THR 14 55.900 -3.245 12.850 105 HG23 THR 14 HG23 THR 14 56.009 -3.714 11.153 106 H ARG 15 HN ARG 15 55.700 0.034 10.191 107 HA ARG 15 HA ARG 15 54.370 1.617 8.194 108 HE ARG 15 HE ARG 15 51.112 3.269 8.561 109 HB2 ARG 15 HB2 ARG 15 52.687 1.860 9.990 110 HB3 ARG 15 HB1 ARG 15 53.941 2.455 11.079 111 HG2 ARG 15 HG2 ARG 15 54.274 4.427 9.787 112 HG3 ARG 15 HG1 ARG 15 53.366 3.776 8.422 113 HD2 ARG 15 HD2 ARG 15 52.060 4.163 11.113 114 HD3 ARG 15 HD1 ARG 15 52.168 5.488 9.954 115 HH11 ARG 15 HH21 ARG 15 50.363 5.337 11.216 116 HH12 ARG 15 HH22 ARG 15 48.648 5.206 11.006 117 HH21 ARG 15 HH11 ARG 15 48.878 3.086 8.272 118 HH22 ARG 15 HH12 ARG 15 47.808 3.932 9.339 119 H VAL 16 HN VAL 16 56.703 1.567 7.665 120 HA VAL 16 HA VAL 16 58.465 3.156 9.439 121 HB VAL 16 HB VAL 16 59.086 1.824 6.786 122 HG11 VAL 16 HG11 VAL 16 60.677 3.580 7.381 123 HG12 VAL 16 HG12 VAL 16 61.431 2.005 7.625 124 HG13 VAL 16 HG13 VAL 16 60.835 2.921 9.009 125 HG21 VAL 16 HG21 VAL 16 60.095 0.043 8.196 126 HG22 VAL 16 HG22 VAL 16 58.355 0.173 8.452 127 HG23 VAL 16 HG23 VAL 16 59.474 0.851 9.635 128 H MET 17 HN MET 17 59.558 5.070 8.638 129 HA MET 17 HA MET 17 58.799 6.223 6.073 130 HB2 MET 17 HB2 MET 17 57.842 8.313 7.407 131 HB3 MET 17 HB1 MET 17 56.792 6.962 6.981 132 HG2 MET 17 HG2 MET 17 56.573 7.656 9.378 133 HG3 MET 17 HG1 MET 17 57.078 5.977 9.187 134 HE1 MET 17 HE1 MET 17 57.443 7.752 11.896 135 HE2 MET 17 HE2 MET 17 58.956 6.989 12.379 136 HE3 MET 17 HE3 MET 17 57.691 6.022 11.625 137 H GLY 18 HN GLY 18 59.753 8.497 5.892 138 HA2 GLY 18 HA2 GLY 18 61.855 9.130 7.858 139 HA3 GLY 18 HA1 GLY 18 62.428 8.671 6.254 140 H GLY 19 HN GLY 19 59.423 10.418 6.781 141 HA2 GLY 19 HA2 GLY 19 58.917 12.709 6.420 142 HA3 GLY 19 HA1 GLY 19 60.633 13.016 6.149 143 HA PRO 20 HA PRO 20 57.904 13.133 2.160 144 HB2 PRO 20 HB2 PRO 20 59.816 15.436 1.926 145 HB3 PRO 20 HB1 PRO 20 58.128 15.315 1.390 146 HG2 PRO 20 HG2 PRO 20 58.806 16.621 3.617 147 HG3 PRO 20 HG1 PRO 20 57.292 15.711 3.489 148 HD2 PRO 20 HD2 PRO 20 59.729 15.072 5.052 149 HD3 PRO 20 HD1 PRO 20 58.056 14.527 5.298 150 H1U RCY 21 H1U RCY 21 57.997 3.314 0.966 151 H1S RCY 21 H1S RCY 21 60.727 6.874 0.856 152 HB1 RCY 21 HB1 RCY 21 61.709 9.607 1.935 153 HB2 RCY 21 HB2 RCY 21 61.679 8.951 0.298 154 HA RCY 21 HA RCY 21 61.804 11.503 0.489 155 HN1 RCY 21 HN1 RCY 21 59.094 11.121 1.653 156 H THR 22 HN THR 22 61.387 12.459 -1.519 157 HA THR 22 HA THR 22 60.035 10.698 -3.498 158 HB THR 22 HB THR 22 58.240 12.144 -3.204 159 HG1 THR 22 HG1 THR 22 59.571 13.952 -4.828 160 HG21 THR 22 HG21 THR 22 58.662 14.654 -2.828 161 HG22 THR 22 HG22 THR 22 60.342 14.205 -2.532 162 HG23 THR 22 HG23 THR 22 59.064 13.569 -1.496 163 HA PRO 23 HA PRO 23 64.170 11.716 -5.166 164 HB2 PRO 23 HB2 PRO 23 62.862 10.309 -7.470 165 HB3 PRO 23 HB1 PRO 23 64.492 10.096 -6.798 166 HG2 PRO 23 HG2 PRO 23 62.546 8.357 -6.286 167 HG3 PRO 23 HG1 PRO 23 63.742 8.792 -5.053 168 HD2 PRO 23 HD2 PRO 23 60.871 9.573 -5.241 169 HD3 PRO 23 HD1 PRO 23 61.901 9.393 -3.804 170 H ARG 24 HN ARG 24 64.463 13.787 -5.870 171 HA ARG 24 HA ARG 24 62.437 15.062 -7.591 172 HE ARG 24 HE ARG 24 61.752 17.670 -4.782 173 HB2 ARG 24 HB2 ARG 24 63.534 16.228 -5.625 174 HB3 ARG 24 HB1 ARG 24 65.030 16.239 -6.557 175 HG2 ARG 24 HG2 ARG 24 64.156 18.304 -7.158 176 HG3 ARG 24 HG1 ARG 24 63.470 17.290 -8.428 177 HD2 ARG 24 HD2 ARG 24 61.699 18.675 -7.503 178 HD3 ARG 24 HD1 ARG 24 61.420 17.003 -7.017 179 HH11 ARG 24 HH21 ARG 24 63.068 19.940 -7.018 180 HH12 ARG 24 HH22 ARG 24 63.484 21.100 -5.801 181 HH21 ARG 24 HH11 ARG 24 62.288 19.172 -3.179 182 HH22 ARG 24 HH12 ARG 24 63.042 20.665 -3.627 183 H LYS 25 HN LYS 25 65.364 16.463 -8.287 184 HA LYS 25 HA LYS 25 65.303 15.740 -11.042 185 HB2 LYS 25 HB2 LYS 25 67.653 16.785 -9.434 186 HB3 LYS 25 HB1 LYS 25 67.492 16.836 -11.189 187 HG2 LYS 25 HG2 LYS 25 65.500 18.261 -10.984 188 HG3 LYS 25 HG1 LYS 25 65.616 18.188 -9.226 189 HD2 LYS 25 HD2 LYS 25 66.715 20.193 -9.654 190 HD3 LYS 25 HD1 LYS 25 68.070 19.063 -9.658 191 HE2 LYS 25 HE2 LYS 25 68.266 20.469 -11.620 192 HE3 LYS 25 HE1 LYS 25 67.797 18.854 -12.151 193 HZ1 LYS 25 HZ1 LYS 25 66.428 21.291 -12.505 194 HZ2 LYS 25 HZ2 LYS 25 65.458 20.238 -11.590 195 HZ3 LYS 25 HZ3 LYS 25 66.038 19.756 -13.113 196 H GLY 26 HN GLY 26 68.143 15.186 -11.438 197 HA2 GLY 26 HA2 GLY 26 69.710 13.395 -11.273 198 HA3 GLY 26 HA1 GLY 26 68.604 12.558 -10.182 199 HA PRO 27 HA PRO 27 66.913 11.752 -14.612 200 HB2 PRO 27 HB2 PRO 27 68.866 12.767 -16.522 201 HB3 PRO 27 HB1 PRO 27 67.168 13.231 -16.326 202 HG2 PRO 27 HG2 PRO 27 69.282 14.850 -15.747 203 HG3 PRO 27 HG1 PRO 27 67.678 15.001 -15.013 204 HD2 PRO 27 HD2 PRO 27 70.172 13.798 -13.860 205 HD3 PRO 27 HD1 PRO 27 68.890 14.732 -13.052 206 HA PRO 28 HA PRO 28 69.033 7.925 -15.294 207 HB2 PRO 28 HB2 PRO 28 68.626 8.367 -18.227 208 HB3 PRO 28 HB1 PRO 28 68.227 6.951 -17.234 209 HG2 PRO 28 HG2 PRO 28 66.361 8.689 -18.053 210 HG3 PRO 28 HG1 PRO 28 66.258 7.851 -16.497 211 HD2 PRO 28 HD2 PRO 28 66.848 10.705 -17.046 212 HD3 PRO 28 HD1 PRO 28 66.196 9.950 -15.576 213 H LYS 29 HN LYS 29 71.197 7.570 -15.302 214 HA LYS 29 HA LYS 29 73.155 7.686 -17.088 215 HB2 LYS 29 HB2 LYS 29 72.764 9.861 -17.959 216 HB3 LYS 29 HB1 LYS 29 72.555 10.560 -16.352 217 HG2 LYS 29 HG2 LYS 29 74.837 10.599 -15.921 218 HG3 LYS 29 HG1 LYS 29 75.173 9.265 -17.025 219 HD2 LYS 29 HD2 LYS 29 74.851 10.681 -18.951 220 HD3 LYS 29 HD1 LYS 29 74.254 12.001 -17.945 221 HE2 LYS 29 HE2 LYS 29 77.011 10.845 -17.536 222 HE3 LYS 29 HE1 LYS 29 76.717 12.120 -18.719 223 HZ1 LYS 29 HZ1 LYS 29 76.584 12.219 -15.802 224 HZ2 LYS 29 HZ2 LYS 29 75.476 13.174 -16.667 225 HZ3 LYS 29 HZ3 LYS 29 77.146 13.383 -16.902 226 H1U RCY 30 H1U RCY 30 74.106 1.461 -9.388 227 H1S RCY 30 H1S RCY 30 73.807 2.414 -13.284 228 HB1 RCY 30 HB1 RCY 30 73.679 5.461 -12.607 229 HB2 RCY 30 HB2 RCY 30 75.388 5.185 -12.274 230 HA RCY 30 HA RCY 30 74.797 7.571 -12.889 231 HN1 RCY 30 HN1 RCY 30 73.951 6.303 -15.437 232 H LYS 31 HN LYS 31 76.866 8.238 -12.639 233 HA LYS 31 HA LYS 31 78.826 8.311 -14.601 234 HB2 LYS 31 HB2 LYS 31 79.648 7.833 -11.744 235 HB3 LYS 31 HB1 LYS 31 80.357 8.926 -12.930 236 HG2 LYS 31 HG2 LYS 31 77.663 9.249 -11.574 237 HG3 LYS 31 HG1 LYS 31 79.101 10.233 -11.297 238 HD2 LYS 31 HD2 LYS 31 77.590 10.003 -13.918 239 HD3 LYS 31 HD1 LYS 31 77.552 11.386 -12.823 240 HE2 LYS 31 HE2 LYS 31 80.175 11.295 -13.104 241 HE3 LYS 31 HE1 LYS 31 79.781 10.429 -14.589 242 HZ1 LYS 31 HZ1 LYS 31 79.713 12.554 -15.347 243 HZ2 LYS 31 HZ2 LYS 31 79.236 13.206 -13.852 244 HZ3 LYS 31 HZ3 LYS 31 78.101 12.414 -14.837 245 H GLN 32 HN GLN 32 80.643 6.983 -15.125 246 HA GLN 32 HA GLN 32 80.999 4.381 -13.860 247 HB2 GLN 32 HB2 GLN 32 80.567 3.199 -16.134 248 HB3 GLN 32 HB1 GLN 32 79.168 3.640 -15.153 249 HG2 GLN 32 HG2 GLN 32 78.731 5.582 -16.483 250 HG3 GLN 32 HG1 GLN 32 80.283 5.444 -17.310 251 HE21 GLN 32 HE21 GLN 32 80.541 3.609 -18.847 252 HE22 GLN 32 HE22 GLN 32 79.171 2.876 -19.531 253 H ARG 33 HN ARG 33 83.100 5.581 -13.745 254 HA ARG 33 HA ARG 33 84.819 4.788 -15.982 255 HE ARG 33 HE ARG 33 88.624 6.208 -18.045 256 HB2 ARG 33 HB2 ARG 33 84.057 6.956 -16.800 257 HB3 ARG 33 HB1 ARG 33 84.439 7.710 -15.254 258 HG2 ARG 33 HG2 ARG 33 86.210 8.110 -16.962 259 HG3 ARG 33 HG1 ARG 33 86.816 7.223 -15.563 260 HD2 ARG 33 HD2 ARG 33 86.943 5.203 -16.732 261 HD3 ARG 33 HD1 ARG 33 85.762 5.713 -17.938 262 HH11 ARG 33 HH21 ARG 33 85.477 7.356 -18.862 263 HH12 ARG 33 HH22 ARG 33 86.020 8.273 -20.227 264 HH21 ARG 33 HH11 ARG 33 89.351 7.399 -19.824 265 HH22 ARG 33 HH12 ARG 33 88.214 8.297 -20.772 266 H GLN 34 HN GLN 34 84.280 5.846 -12.750 267 HA GLN 34 HA GLN 34 87.129 5.207 -12.092 268 HB2 GLN 34 HB2 GLN 34 85.546 7.261 -10.552 269 HB3 GLN 34 HB1 GLN 34 87.293 7.027 -10.605 270 HG2 GLN 34 HG2 GLN 34 87.015 8.895 -11.987 271 HG3 GLN 34 HG1 GLN 34 87.023 7.573 -13.155 272 HE21 GLN 34 HE21 GLN 34 84.179 7.019 -11.703 273 HE22 GLN 34 HE22 GLN 34 83.147 8.003 -12.624 274 H THR 35 HN THR 35 86.283 5.853 -9.223 275 HA THR 35 HA THR 35 85.614 4.550 -7.386 276 HB THR 35 HB THR 35 83.345 3.666 -9.182 277 HG1 THR 35 HG1 THR 35 83.993 6.074 -8.958 278 HG21 THR 35 HG21 THR 35 83.509 4.273 -6.216 279 HG22 THR 35 HG22 THR 35 83.521 2.657 -6.922 280 HG23 THR 35 HG23 THR 35 82.090 3.676 -7.077 281 H ARG 36 HN ARG 36 87.221 2.956 -7.269 282 HA ARG 36 HA ARG 36 86.400 0.277 -8.156 283 HE ARG 36 HE ARG 36 87.911 3.783 -7.691 284 HB2 ARG 36 HB2 ARG 36 88.966 0.127 -9.038 285 HB3 ARG 36 HB1 ARG 36 87.604 0.485 -10.095 286 HG2 ARG 36 HG2 ARG 36 89.388 2.136 -10.442 287 HG3 ARG 36 HG1 ARG 36 87.976 2.915 -9.727 288 HD2 ARG 36 HD2 ARG 36 89.832 1.832 -7.728 289 HD3 ARG 36 HD1 ARG 36 90.553 3.083 -8.741 290 HH11 ARG 36 HH21 ARG 36 91.329 3.748 -7.243 291 HH12 ARG 36 HH22 ARG 36 91.331 5.081 -6.136 292 HH21 ARG 36 HH11 ARG 36 87.894 5.524 -6.249 293 HH22 ARG 36 HH12 ARG 36 89.386 6.086 -5.574 294 H GLN 37 HN GLN 37 87.351 2.099 -5.745 295 HA GLN 37 HA GLN 37 89.608 0.566 -4.699 296 HB2 GLN 37 HB2 GLN 37 88.902 3.046 -4.187 297 HB3 GLN 37 HB1 GLN 37 87.838 2.304 -2.993 298 HG2 GLN 37 HG2 GLN 37 90.836 1.877 -3.182 299 HG3 GLN 37 HG1 GLN 37 90.019 2.889 -1.991 300 HE21 GLN 37 HE21 GLN 37 90.871 -0.396 -2.806 301 HE22 GLN 37 HE22 GLN 37 90.149 -1.131 -1.457 302 H1U RCY 38 H1U RCY 38 87.909 3.344 -0.841 303 H1S RCY 38 H1S RCY 38 85.835 -1.028 -0.613 304 HB1 RCY 38 HB1 RCY 38 85.032 -3.211 -4.188 305 HB2 RCY 38 HB2 RCY 38 85.316 -1.560 -4.739 306 HA RCY 38 HA RCY 38 87.138 -2.382 -2.585 307 HN1 RCY 38 HN1 RCY 38 88.095 -1.447 -5.203 308 H LYS 39 HN LYS 39 85.940 -4.736 -3.356 309 HA LYS 39 HA LYS 39 86.478 -6.911 -4.037 310 HB2 LYS 39 HB2 LYS 39 87.819 -5.448 -6.332 311 HB3 LYS 39 HB1 LYS 39 87.386 -7.156 -6.306 312 HG2 LYS 39 HG2 LYS 39 85.078 -6.701 -6.350 313 HG3 LYS 39 HG1 LYS 39 85.303 -5.038 -5.807 314 HD2 LYS 39 HD2 LYS 39 86.568 -5.860 -8.390 315 HD3 LYS 39 HD1 LYS 39 84.826 -5.586 -8.366 316 HE2 LYS 39 HE2 LYS 39 86.857 -3.598 -7.316 317 HE3 LYS 39 HE1 LYS 39 86.169 -3.534 -8.938 318 HZ1 LYS 39 HZ1 LYS 39 85.090 -2.463 -6.650 319 HZ2 LYS 39 HZ2 LYS 39 84.143 -3.838 -6.968 320 HZ3 LYS 39 HZ3 LYS 39 84.319 -2.632 -8.152 321 H SER 40 HN SER 40 88.820 -4.667 -3.172 322 HA SER 40 HA SER 40 91.137 -6.443 -3.514 323 HG SER 40 HG SER 40 93.279 -4.107 -2.778 324 HB2 SER 40 HB2 SER 40 91.363 -3.960 -3.645 325 HB3 SER 40 HB1 SER 40 90.884 -3.852 -1.953 326 H LYS 41 HN LYS 41 91.314 -4.887 -0.536 327 HA LYS 41 HA LYS 41 91.464 -7.323 0.947 328 HB2 LYS 41 HB2 LYS 41 92.443 -5.027 1.555 329 HB3 LYS 41 HB1 LYS 41 90.831 -4.620 2.141 330 HG2 LYS 41 HG2 LYS 41 91.754 -5.467 4.090 331 HG3 LYS 41 HG1 LYS 41 91.081 -6.948 3.407 332 HD2 LYS 41 HD2 LYS 41 93.316 -7.352 2.303 333 HD3 LYS 41 HD1 LYS 41 93.950 -5.991 3.228 334 HE2 LYS 41 HE2 LYS 41 93.306 -7.117 5.329 335 HE3 LYS 41 HE1 LYS 41 92.680 -8.482 4.403 336 HZ1 LYS 41 HZ1 LYS 41 94.765 -9.150 3.797 337 HZ2 LYS 41 HZ2 LYS 41 95.097 -8.510 5.335 338 HZ3 LYS 41 HZ3 LYS 41 95.440 -7.601 3.942 339 HA PRO 42 HA PRO 42 86.962 -7.712 1.224 340 HB2 PRO 42 HB2 PRO 42 86.882 -10.247 2.193 341 HB3 PRO 42 HB1 PRO 42 87.253 -9.891 0.495 342 HG2 PRO 42 HG2 PRO 42 89.098 -10.590 2.719 343 HG3 PRO 42 HG1 PRO 42 89.144 -11.077 1.017 344 HD2 PRO 42 HD2 PRO 42 90.712 -9.064 2.101 345 HD3 PRO 42 HD1 PRO 42 90.293 -9.189 0.378 346 HA PRO 43 HA PRO 43 86.153 -6.819 5.488 347 HB2 PRO 43 HB2 PRO 43 83.603 -7.775 5.788 348 HB3 PRO 43 HB1 PRO 43 83.987 -6.302 4.877 349 HG2 PRO 43 HG2 PRO 43 83.413 -9.043 3.874 350 HG3 PRO 43 HG1 PRO 43 82.913 -7.474 3.223 351 HD2 PRO 43 HD2 PRO 43 84.988 -8.927 2.176 352 HD3 PRO 43 HD1 PRO 43 84.908 -7.153 2.095 353 H LYS 44 HN LYS 44 85.654 -7.846 7.626 354 HA LYS 44 HA LYS 44 87.032 -10.300 7.998 355 HB2 LYS 44 HB2 LYS 44 86.594 -8.600 9.787 356 HB3 LYS 44 HB1 LYS 44 84.911 -9.126 9.818 357 HG2 LYS 44 HG2 LYS 44 85.566 -11.371 10.465 358 HG3 LYS 44 HG1 LYS 44 87.273 -10.967 10.280 359 HD2 LYS 44 HD2 LYS 44 86.653 -10.881 12.649 360 HD3 LYS 44 HD1 LYS 44 87.037 -9.259 12.072 361 HE2 LYS 44 HE2 LYS 44 84.198 -10.207 11.919 362 HE3 LYS 44 HE1 LYS 44 84.837 -9.689 13.479 363 HZ1 LYS 44 HZ1 LYS 44 83.906 -8.080 11.439 364 HZ2 LYS 44 HZ2 LYS 44 85.592 -7.873 11.443 365 HZ3 LYS 44 HZ3 LYS 44 84.695 -7.583 12.856 366 H LYS 45 HN LYS 45 83.619 -10.038 8.966 367 HA LYS 45 HA LYS 45 82.579 -11.946 7.118 368 HB2 LYS 45 HB2 LYS 45 84.195 -13.080 9.204 369 HB3 LYS 45 HB1 LYS 45 82.519 -13.541 9.499 370 HG2 LYS 45 HG2 LYS 45 82.311 -14.442 7.255 371 HG3 LYS 45 HG1 LYS 45 83.911 -13.840 6.821 372 HD2 LYS 45 HD2 LYS 45 84.065 -16.219 7.342 373 HD3 LYS 45 HD1 LYS 45 84.896 -15.295 8.595 374 HE2 LYS 45 HE2 LYS 45 83.203 -15.655 10.169 375 HE3 LYS 45 HE1 LYS 45 81.991 -15.993 8.934 376 HZ1 LYS 45 HZ1 LYS 45 82.663 -18.124 8.721 377 HZ2 LYS 45 HZ2 LYS 45 83.177 -17.893 10.323 378 HZ3 LYS 45 HZ3 LYS 45 84.292 -17.777 9.046 379 H GLY 46 HN GLY 46 80.340 -12.379 7.547 380 HA2 GLY 46 HA2 GLY 46 79.151 -11.412 10.054 381 HA3 GLY 46 HA1 GLY 46 78.744 -10.456 8.628 382 H VAL 47 HN VAL 47 78.847 -13.888 9.647 383 HA VAL 47 HA VAL 47 77.411 -15.662 9.093 384 HB VAL 47 HB VAL 47 75.386 -13.403 9.012 385 HG11 VAL 47 HG11 VAL 47 74.367 -15.332 8.070 386 HG12 VAL 47 HG12 VAL 47 73.875 -15.347 9.764 387 HG13 VAL 47 HG13 VAL 47 75.169 -16.410 9.212 388 HG21 VAL 47 HG21 VAL 47 74.972 -14.226 11.397 389 HG22 VAL 47 HG22 VAL 47 76.478 -13.343 11.144 390 HG23 VAL 47 HG23 VAL 47 76.496 -15.103 11.259 391 H GLN 48 HN GLN 48 75.284 -13.603 7.274 392 HA GLN 48 HA GLN 48 75.516 -15.150 4.898 393 HB2 GLN 48 HB2 GLN 48 73.616 -13.579 5.532 394 HB3 GLN 48 HB1 GLN 48 74.655 -12.248 5.025 395 HG2 GLN 48 HG2 GLN 48 74.140 -14.585 3.190 396 HG3 GLN 48 HG1 GLN 48 73.006 -13.237 3.276 397 HE21 GLN 48 HE21 GLN 48 73.790 -11.095 2.588 398 HE22 GLN 48 HE22 GLN 48 75.182 -10.948 1.629 399 H GLY 49 HN GLY 49 77.693 -15.345 4.253 400 HA2 GLY 49 HA2 GLY 49 79.391 -12.999 3.924 401 HA3 GLY 49 HA1 GLY 49 79.784 -14.640 3.411 402 H1U RCY 50 H1U RCY 50 73.849 -6.706 2.084 403 H1S RCY 50 H1S RCY 50 77.273 -8.105 -0.543 404 HB1 RCY 50 HB1 RCY 50 78.648 -9.695 0.249 405 HB2 RCY 50 HB2 RCY 50 77.255 -10.331 1.123 406 HA RCY 50 HA RCY 50 77.791 -12.536 -0.221 407 HN1 RCY 50 HN1 RCY 50 79.114 -11.598 2.265 408 H GLY 51 HN GLY 51 80.780 -12.795 0.793 409 HA2 GLY 51 HA2 GLY 51 82.531 -11.391 -0.864 410 HA3 GLY 51 HA1 GLY 51 82.813 -13.058 -0.361 411 H ASP 52 HN ASP 52 83.103 -11.505 -3.025 412 HA ASP 52 HA ASP 52 82.341 -13.745 -4.715 413 HB2 ASP 52 HB2 ASP 52 80.187 -12.383 -4.384 414 HB3 ASP 52 HB1 ASP 52 80.976 -11.116 -5.324 415 H ASP 53 HN ASP 53 82.080 -11.384 -6.841 416 HA ASP 53 HA ASP 53 84.838 -10.392 -6.906 417 HB2 ASP 53 HB2 ASP 53 83.852 -12.350 -9.006 418 HB3 ASP 53 HB1 ASP 53 85.372 -11.457 -9.076 419 H ILE 54 HN ILE 54 84.284 -10.383 -10.004 420 HA ILE 54 HA ILE 54 83.506 -7.727 -10.295 421 HB ILE 54 HB ILE 54 82.863 -10.009 -12.182 422 HG12 ILE 54 HG12 ILE 54 85.239 -8.137 -12.243 423 HG13 ILE 54 HG11 ILE 54 85.291 -9.695 -11.416 424 HG21 ILE 54 HG21 ILE 54 83.066 -7.010 -12.578 425 HG22 ILE 54 HG22 ILE 54 81.633 -8.014 -12.800 426 HG23 ILE 54 HG23 ILE 54 83.002 -8.175 -13.901 427 HD11 ILE 54 HD11 ILE 54 84.661 -9.255 -14.350 428 HD12 ILE 54 HD12 ILE 54 84.635 -10.818 -13.532 429 HD13 ILE 54 HD13 ILE 54 86.153 -9.934 -13.699 430 HA PRO 55 HA PRO 55 79.201 -8.305 -8.974 431 HB2 PRO 55 HB2 PRO 55 78.634 -5.688 -8.513 432 HB3 PRO 55 HB1 PRO 55 79.601 -6.664 -7.389 433 HG2 PRO 55 HG2 PRO 55 80.490 -4.651 -9.384 434 HG3 PRO 55 HG1 PRO 55 81.122 -4.997 -7.767 435 HD2 PRO 55 HD2 PRO 55 82.277 -5.891 -10.136 436 HD3 PRO 55 HD1 PRO 55 82.541 -6.629 -8.541 437 H GLY 56 HN GLY 56 79.801 -5.344 -10.913 438 HA2 GLY 56 HA2 GLY 56 77.351 -5.915 -12.472 439 HA3 GLY 56 HA1 GLY 56 78.300 -4.429 -12.548 440 H MET 57 HN MET 57 80.722 -5.001 -13.290 441 HA MET 57 HA MET 57 81.110 -7.178 -15.109 442 HB2 MET 57 HB2 MET 57 81.086 -5.726 -17.222 443 HB3 MET 57 HB1 MET 57 79.510 -6.177 -16.569 444 HG2 MET 57 HG2 MET 57 79.277 -4.019 -15.487 445 HG3 MET 57 HG1 MET 57 80.920 -3.568 -15.941 446 HE1 MET 57 HE1 MET 57 77.582 -4.976 -17.494 447 HE2 MET 57 HE2 MET 57 77.110 -3.547 -18.409 448 HE3 MET 57 HE3 MET 57 77.335 -3.434 -16.666 449 H GLU 58 HN GLU 58 81.988 -4.179 -13.698 450 HA GLU 58 HA GLU 58 84.804 -4.758 -13.925 451 HB2 GLU 58 HB2 GLU 58 84.250 -3.895 -16.250 452 HB3 GLU 58 HB1 GLU 58 83.866 -2.346 -15.498 453 HG2 GLU 58 HG2 GLU 58 86.151 -2.196 -16.202 454 HG3 GLU 58 HG1 GLU 58 86.187 -2.416 -14.452 455 H GLY 59 HN GLY 59 82.494 -2.043 -13.607 456 HA2 GLY 59 HA2 GLY 59 82.809 -1.548 -10.896 457 HA3 GLY 59 HA1 GLY 59 84.148 -0.677 -11.645 458 H1U RCY 60 H1U RCY 60 76.407 4.010 -5.183 459 H1S RCY 60 H1S RCY 60 77.521 2.235 -8.708 460 HB1 RCY 60 HB1 RCY 60 78.582 0.413 -10.847 461 HB2 RCY 60 HB2 RCY 60 78.392 2.165 -10.923 462 HA RCY 60 HA RCY 60 79.951 1.368 -12.667 463 HN1 RCY 60 HN1 RCY 60 81.131 -0.180 -10.519 464 H GLY 61 HN GLY 61 79.273 3.724 -11.064 465 HA2 GLY 61 HA2 GLY 61 81.891 5.036 -10.615 466 HA3 GLY 61 HA1 GLY 61 80.857 5.716 -11.871 467 H THR 62 HN THR 62 81.753 6.473 -8.949 468 HA THR 62 HA THR 62 79.094 7.599 -8.211 469 HB THR 62 HB THR 62 79.768 7.101 -5.767 470 HG1 THR 62 HG1 THR 62 81.907 6.428 -6.382 471 HG21 THR 62 HG21 THR 62 78.957 4.663 -6.042 472 HG22 THR 62 HG22 THR 62 78.872 5.028 -7.765 473 HG23 THR 62 HG23 THR 62 77.893 5.946 -6.620 474 H ASP 63 HN ASP 63 80.676 9.257 -9.429 475 HA ASP 63 HA ASP 63 82.810 10.431 -7.912 476 HB2 ASP 63 HB2 ASP 63 82.341 10.790 -10.385 477 HB3 ASP 63 HB1 ASP 63 81.027 11.864 -9.901 478 H ILE 64 HN ILE 64 81.414 10.213 -5.839 479 HA ILE 64 HA ILE 64 79.918 11.126 -4.263 480 HB ILE 64 HB ILE 64 81.903 12.303 -3.689 481 HG12 ILE 64 HG12 ILE 64 79.931 14.548 -4.116 482 HG13 ILE 64 HG11 ILE 64 79.602 13.259 -2.958 483 HG21 ILE 64 HG21 ILE 64 82.569 14.381 -4.910 484 HG22 ILE 64 HG22 ILE 64 81.277 14.074 -6.070 485 HG23 ILE 64 HG23 ILE 64 82.622 12.943 -5.929 486 HD11 ILE 64 HD11 ILE 64 81.585 13.771 -1.699 487 HD12 ILE 64 HD12 ILE 64 80.750 15.299 -1.980 488 HD13 ILE 64 HD13 ILE 64 82.162 14.875 -2.948 489 H THR 65 HN THR 65 77.856 11.045 -5.191 490 HA THR 65 HA THR 65 76.944 12.996 -7.106 491 HB THR 65 HB THR 65 75.398 11.205 -5.197 492 HG1 THR 65 HG1 THR 65 76.014 9.801 -6.616 493 HG21 THR 65 HG21 THR 65 73.728 11.758 -7.295 494 HG22 THR 65 HG22 THR 65 74.558 13.302 -7.094 495 HG23 THR 65 HG23 THR 65 73.680 12.589 -5.740 496 H VAL 66 HN VAL 66 78.291 14.084 -4.782 497 HA VAL 66 HA VAL 66 78.103 16.043 -3.523 498 HB VAL 66 HB VAL 66 75.156 16.186 -4.125 499 HG11 VAL 66 HG11 VAL 66 77.298 18.325 -4.014 500 HG12 VAL 66 HG12 VAL 66 76.354 17.824 -2.611 501 HG13 VAL 66 HG13 VAL 66 75.551 18.560 -3.997 502 HG21 VAL 66 HG21 VAL 66 76.267 17.629 -6.151 503 HG22 VAL 66 HG22 VAL 66 75.711 15.965 -6.333 504 HG23 VAL 66 HG23 VAL 66 77.418 16.297 -6.039 505 H ILE 67 HN ILE 67 76.096 13.274 -3.110 506 HA ILE 67 HA ILE 67 75.987 13.877 -0.189 507 HB ILE 67 HB ILE 67 73.671 12.763 -1.796 508 HG12 ILE 67 HG12 ILE 67 72.783 14.983 -0.452 509 HG13 ILE 67 HG11 ILE 67 74.432 15.459 -0.859 510 HG21 ILE 67 HG21 ILE 67 72.512 13.020 0.463 511 HG22 ILE 67 HG22 ILE 67 74.119 13.208 1.164 512 HG23 ILE 67 HG23 ILE 67 73.682 11.705 0.351 513 HD11 ILE 67 HD11 ILE 67 72.162 14.748 -2.695 514 HD12 ILE 67 HD12 ILE 67 73.825 14.517 -3.234 515 HD13 ILE 67 HD13 ILE 67 73.263 16.123 -2.770 516 H1U RCY 68 H1U RCY 68 74.352 7.823 0.482 517 H1S RCY 68 H1S RCY 68 76.675 9.154 -3.022 518 HB1 RCY 68 HB1 RCY 68 79.407 9.098 -0.245 519 HB2 RCY 68 HB2 RCY 68 79.615 10.843 -0.366 520 HA RCY 68 HA RCY 68 76.890 9.523 -0.286 521 HN1 RCY 68 HN1 RCY 68 77.644 12.377 0.213 522 HA PRO 69 HA PRO 69 76.852 8.625 4.026 523 HB2 PRO 69 HB2 PRO 69 79.243 6.889 3.476 524 HB3 PRO 69 HB1 PRO 69 77.789 6.528 4.429 525 HG2 PRO 69 HG2 PRO 69 78.091 5.619 1.939 526 HG3 PRO 69 HG1 PRO 69 76.510 6.117 2.561 527 HD2 PRO 69 HD2 PRO 69 78.223 7.453 0.547 528 HD3 PRO 69 HD1 PRO 69 76.475 7.611 0.822 529 H TRP 70 HN TRP 70 79.665 9.880 2.479 530 HA TRP 70 HA TRP 70 81.240 10.261 4.898 531 HD1 TRP 70 HD1 TRP 70 81.633 8.294 3.622 532 HE1 TRP 70 HE1 TRP 70 82.231 6.734 1.659 533 HE3 TRP 70 HE3 TRP 70 82.842 11.764 0.076 534 HZ2 TRP 70 HZ2 TRP 70 83.107 6.932 -1.061 535 HZ3 TRP 70 HZ3 TRP 70 83.553 11.054 -2.186 536 HH2 TRP 70 HH2 TRP 70 83.687 8.647 -2.761 537 HB2 TRP 70 HB2 TRP 70 81.561 11.884 2.377 538 HB3 TRP 70 HB1 TRP 70 82.800 11.360 3.518 539 H GLU 71 HN GLU 71 78.508 11.807 3.553 540 HA GLU 71 HA GLU 71 78.980 14.192 5.309 541 HB2 GLU 71 HB2 GLU 71 77.601 14.039 2.613 542 HB3 GLU 71 HB1 GLU 71 77.523 15.444 3.677 543 HG2 GLU 71 HG2 GLU 71 79.950 15.691 3.592 544 HG3 GLU 71 HG1 GLU 71 80.092 14.225 2.623 545 H ALA 72 HN ALA 72 76.386 12.345 3.663 546 HA ALA 72 HA ALA 72 74.406 13.181 5.633 547 HB1 ALA 72 HB1 ALA 72 72.982 11.445 4.459 548 HB2 ALA 72 HB2 ALA 72 74.372 11.102 3.429 549 HB3 ALA 72 HB3 ALA 72 73.627 12.701 3.402 550 H1U RCY 73 H1U RCY 73 73.805 1.464 4.471 551 H1S RCY 73 H1S RCY 73 75.699 5.871 3.642 552 HB1 RCY 73 HB1 RCY 73 72.783 7.768 6.248 553 HB2 RCY 73 HB2 RCY 73 74.153 6.794 6.786 554 HA RCY 73 HA RCY 73 73.976 9.150 7.783 555 HN1 RCY 73 HN1 RCY 73 73.828 9.969 5.106 556 H ASN 74 HN ASN 74 75.953 9.827 8.748 557 HA ASN 74 HA ASN 74 78.487 8.794 7.621 558 HB2 ASN 74 HB2 ASN 74 77.796 10.647 9.903 559 HB3 ASN 74 HB1 ASN 74 79.428 10.008 9.700 560 HD21 ASN 74 HD21 ASN 74 76.963 12.082 8.190 561 HD22 ASN 74 HD22 ASN 74 78.020 12.826 7.089 562 H HIS 75 HN HIS 75 76.133 7.363 9.297 563 HA HIS 75 HA HIS 75 77.572 6.231 11.546 564 HD1 HIS 75 HD1 HIS 75 75.603 6.373 13.675 565 HD2 HIS 75 HD2 HIS 75 73.698 7.673 10.199 566 HE1 HIS 75 HE1 HIS 75 74.185 8.364 14.338 567 HE2 HIS 75 HE2 HIS 75 73.020 9.165 12.231 568 HB2 HIS 75 HB2 HIS 75 75.096 5.231 10.103 569 HB3 HIS 75 HB1 HIS 75 75.674 4.650 11.665 570 H1U RCY 76 H1U RCY 76 79.840 -1.549 5.896 571 H1S RCY 76 H1S RCY 76 79.873 3.053 5.205 572 HB1 RCY 76 HB1 RCY 76 81.385 3.200 8.515 573 HB2 RCY 76 HB2 RCY 76 80.956 4.843 8.994 574 HA RCY 76 HA RCY 76 79.013 2.588 9.441 575 HN1 RCY 76 HN1 RCY 76 79.283 4.889 11.258 576 H GLU 77 HN GLU 77 82.156 3.767 10.358 577 HA GLU 77 HA GLU 77 82.727 1.391 11.885 578 HB2 GLU 77 HB2 GLU 77 84.243 4.016 11.926 579 HB3 GLU 77 HB1 GLU 77 84.870 2.420 12.339 580 HG2 GLU 77 HG2 GLU 77 84.508 1.660 10.029 581 HG3 GLU 77 HG1 GLU 77 83.844 3.239 9.605 582 H LEU 78 HN LEU 78 80.595 1.925 13.201 583 HA LEU 78 HA LEU 78 81.483 2.759 15.851 584 HG LEU 78 HG LEU 78 79.478 3.923 17.128 585 HB2 LEU 78 HB2 LEU 78 80.902 4.929 14.678 586 HB3 LEU 78 HB1 LEU 78 79.250 4.334 14.538 587 HD11 LEU 78 HD11 LEU 78 80.936 5.643 18.184 588 HD12 LEU 78 HD12 LEU 78 81.569 6.055 16.590 589 HD13 LEU 78 HD13 LEU 78 81.865 4.455 17.270 590 HD21 LEU 78 HD21 LEU 78 78.613 6.198 17.528 591 HD22 LEU 78 HD22 LEU 78 77.922 5.522 16.053 592 HD23 LEU 78 HD23 LEU 78 79.221 6.711 15.954 593 H HIS 79 HN HIS 79 78.978 1.653 13.662 594 HA HIS 79 HA HIS 79 78.019 -0.256 15.638 595 HD1 HIS 79 HD1 HIS 79 76.951 -0.373 17.728 596 HD2 HIS 79 HD2 HIS 79 76.761 3.754 17.148 597 HE1 HIS 79 HE1 HIS 79 77.356 0.687 19.992 598 HE2 HIS 79 HE2 HIS 79 77.243 3.199 19.653 599 HB2 HIS 79 HB2 HIS 79 76.369 2.172 14.928 600 HB3 HIS 79 HB1 HIS 79 75.599 0.660 15.410 601 H GLU 80 HN GLU 80 75.865 1.117 13.240 602 HA GLU 80 HA GLU 80 75.242 0.348 11.101 603 HB2 GLU 80 HB2 GLU 80 77.874 -0.231 11.098 604 HB3 GLU 80 HB1 GLU 80 77.236 -1.875 11.101 605 HG2 GLU 80 HG2 GLU 80 75.763 -1.220 9.158 606 HG3 GLU 80 HG1 GLU 80 76.630 0.315 9.095 607 H LEU 81 HN LEU 81 76.341 -2.434 13.089 608 HA LEU 81 HA LEU 81 74.136 -4.097 12.243 609 HG LEU 81 HG LEU 81 76.229 -3.096 14.932 610 HB2 LEU 81 HB2 LEU 81 74.858 -5.374 14.439 611 HB3 LEU 81 HB1 LEU 81 75.922 -5.369 13.034 612 HD11 LEU 81 HD11 LEU 81 76.989 -5.955 15.573 613 HD12 LEU 81 HD12 LEU 81 76.046 -4.841 16.563 614 HD13 LEU 81 HD13 LEU 81 77.773 -4.568 16.330 615 HD21 LEU 81 HD21 LEU 81 78.302 -4.911 13.681 616 HD22 LEU 81 HD22 LEU 81 78.516 -3.259 14.260 617 HD23 LEU 81 HD23 LEU 81 77.575 -3.567 12.801 618 H ALA 82 HN ALA 82 74.612 -1.782 14.829 619 HA ALA 82 HA ALA 82 72.376 -2.589 16.451 620 HB1 ALA 82 HB1 ALA 82 74.330 -0.971 17.022 621 HB2 ALA 82 HB2 ALA 82 72.727 -0.588 17.648 622 HB3 ALA 82 HB3 ALA 82 73.345 0.258 16.229 623 H GLN 83 HN GLN 83 72.718 -0.380 13.701 624 HA GLN 83 HA GLN 83 70.024 0.653 13.861 625 HB2 GLN 83 HB2 GLN 83 72.320 0.861 12.040 626 HB3 GLN 83 HB1 GLN 83 70.779 0.857 11.187 627 HG2 GLN 83 HG2 GLN 83 69.970 2.723 12.474 628 HG3 GLN 83 HG1 GLN 83 71.347 2.634 13.573 629 HE21 GLN 83 HE21 GLN 83 70.247 3.905 10.523 630 HE22 GLN 83 HE22 GLN 83 71.708 4.639 10.069 631 H TYR 84 HN TYR 84 71.060 -2.422 13.314 632 HA TYR 84 HA TYR 84 68.528 -3.110 11.937 633 HD1 TYR 84 HD2 TYR 84 67.875 -3.320 9.475 634 HD2 TYR 84 HD1 TYR 84 71.880 -1.810 9.836 635 HE1 TYR 84 HE2 TYR 84 67.363 -1.562 7.801 636 HE2 TYR 84 HE1 TYR 84 71.368 -0.052 8.162 637 HH TYR 84 HH TYR 84 68.111 0.237 6.740 638 HB2 TYR 84 HB2 TYR 84 71.292 -3.813 10.918 639 HB3 TYR 84 HB1 TYR 84 69.844 -4.696 10.431 640 H GLY 85 HN GLY 85 70.995 -5.496 11.965 641 HA2 GLY 85 HA2 GLY 85 70.773 -6.456 14.641 642 HA3 GLY 85 HA1 GLY 85 69.554 -7.265 13.654 643 H ILE 86 HN ILE 86 72.987 -6.914 14.237 644 HA ILE 86 HA ILE 86 74.820 -8.140 13.415 645 HB ILE 86 HB ILE 86 72.857 -10.399 12.987 646 HG12 ILE 86 HG12 ILE 86 72.452 -9.082 15.171 647 HG13 ILE 86 HG11 ILE 86 72.735 -10.817 15.322 648 HG21 ILE 86 HG21 ILE 86 75.128 -10.942 12.436 649 HG22 ILE 86 HG22 ILE 86 74.814 -11.659 14.016 650 HG23 ILE 86 HG23 ILE 86 75.735 -10.160 13.896 651 HD11 ILE 86 HD11 ILE 86 74.997 -10.491 16.005 652 HD12 ILE 86 HD12 ILE 86 74.054 -9.319 16.925 653 HD13 ILE 86 HD13 ILE 86 74.976 -8.796 15.516 654 H1U RCY 87 H1U RCY 87 77.102 -5.665 3.250 655 H1S RCY 87 H1S RCY 87 74.973 -6.458 6.572 656 HB1 RCY 87 HB1 RCY 87 72.862 -5.306 9.840 657 HB2 RCY 87 HB2 RCY 87 72.497 -5.868 8.211 658 HA RCY 87 HA RCY 87 72.690 -7.959 9.086 659 HN1 RCY 87 HN1 RCY 87 73.318 -6.585 11.463 Start of MODEL 9 1 HA MET 1 HA MET 1 52.880 6.497 -12.059 2 HB2 MET 1 HB2 MET 1 50.027 7.501 -11.848 3 HB3 MET 1 HB1 MET 1 51.109 7.326 -10.466 4 HG2 MET 1 HG2 MET 1 51.261 9.616 -11.199 5 HG3 MET 1 HG1 MET 1 52.754 8.814 -11.685 6 HE1 MET 1 HE1 MET 1 49.111 9.470 -12.754 7 HE2 MET 1 HE2 MET 1 49.327 10.379 -14.248 8 HE3 MET 1 HE3 MET 1 49.938 11.033 -12.730 9 H ASN 2 HN ASN 2 53.131 4.227 -12.007 10 HA ASN 2 HA ASN 2 51.289 2.782 -10.339 11 HB2 ASN 2 HB2 ASN 2 50.625 1.074 -12.082 12 HB3 ASN 2 HB1 ASN 2 49.874 2.656 -12.291 13 HD21 ASN 2 HD21 ASN 2 52.827 0.873 -13.366 14 HD22 ASN 2 HD22 ASN 2 52.838 1.543 -14.926 15 H LEU 3 HN LEU 3 54.199 3.192 -11.950 16 HA LEU 3 HA LEU 3 55.180 0.466 -11.882 17 HG LEU 3 HG LEU 3 57.640 0.341 -11.862 18 HB2 LEU 3 HB2 LEU 3 56.089 2.529 -13.210 19 HB3 LEU 3 HB1 LEU 3 56.959 2.894 -11.721 20 HD11 LEU 3 HD11 LEU 3 57.929 -0.354 -14.236 21 HD12 LEU 3 HD12 LEU 3 57.018 1.069 -14.741 22 HD13 LEU 3 HD13 LEU 3 56.230 -0.191 -13.791 23 HD21 LEU 3 HD21 LEU 3 59.612 1.050 -13.299 24 HD22 LEU 3 HD22 LEU 3 59.286 2.098 -11.918 25 HD23 LEU 3 HD23 LEU 3 58.788 2.591 -13.537 26 H GLU 4 HN GLU 4 54.191 2.304 -9.402 27 HA GLU 4 HA GLU 4 56.268 2.368 -7.506 28 HB2 GLU 4 HB2 GLU 4 54.274 1.945 -5.845 29 HB3 GLU 4 HB1 GLU 4 54.309 3.426 -6.801 30 HG2 GLU 4 HG2 GLU 4 52.738 2.569 -8.375 31 HG3 GLU 4 HG1 GLU 4 52.910 0.924 -7.762 32 HA PRO 5 HA PRO 5 57.314 -2.036 -7.384 33 HB2 PRO 5 HB2 PRO 5 58.292 -1.129 -4.694 34 HB3 PRO 5 HB1 PRO 5 59.106 -2.144 -5.902 35 HG2 PRO 5 HG2 PRO 5 59.731 0.428 -5.590 36 HG3 PRO 5 HG1 PRO 5 59.732 -0.342 -7.185 37 HD2 PRO 5 HD2 PRO 5 57.817 1.634 -6.061 38 HD3 PRO 5 HD1 PRO 5 58.222 1.294 -7.758 39 HA PRO 6 HA PRO 6 53.999 -3.695 -4.940 40 HB2 PRO 6 HB2 PRO 6 54.953 -6.203 -4.381 41 HB3 PRO 6 HB1 PRO 6 54.357 -5.721 -5.982 42 HG2 PRO 6 HG2 PRO 6 57.157 -5.949 -5.001 43 HG3 PRO 6 HG1 PRO 6 56.471 -6.386 -6.575 44 HD2 PRO 6 HD2 PRO 6 57.889 -4.079 -6.160 45 HD3 PRO 6 HD1 PRO 6 56.613 -4.224 -7.389 46 H LYS 7 HN LYS 7 53.481 -4.582 -2.745 47 HA LYS 7 HA LYS 7 55.647 -4.146 -0.735 48 HB2 LYS 7 HB2 LYS 7 53.933 -2.990 0.709 49 HB3 LYS 7 HB1 LYS 7 54.377 -2.082 -0.737 50 HG2 LYS 7 HG2 LYS 7 52.376 -2.843 -1.892 51 HG3 LYS 7 HG1 LYS 7 51.957 -3.897 -0.541 52 HD2 LYS 7 HD2 LYS 7 51.710 -1.944 0.930 53 HD3 LYS 7 HD1 LYS 7 52.168 -0.875 -0.396 54 HE2 LYS 7 HE2 LYS 7 49.716 -0.954 -0.146 55 HE3 LYS 7 HE1 LYS 7 50.212 -1.644 -1.692 56 HZ1 LYS 7 HZ1 LYS 7 49.569 -3.175 0.770 57 HZ2 LYS 7 HZ2 LYS 7 50.075 -3.849 -0.706 58 HZ3 LYS 7 HZ3 LYS 7 48.583 -3.043 -0.604 59 H ALA 8 HN ALA 8 54.290 -6.553 -1.899 60 HA ALA 8 HA ALA 8 53.894 -7.981 0.585 61 HB1 ALA 8 HB1 ALA 8 51.471 -7.359 -1.128 62 HB2 ALA 8 HB2 ALA 8 51.706 -6.952 0.572 63 HB3 ALA 8 HB3 ALA 8 51.504 -8.636 0.089 64 H GLU 9 HN GLU 9 55.010 -7.906 -2.376 65 HA GLU 9 HA GLU 9 54.021 -10.363 -3.552 66 HB2 GLU 9 HB2 GLU 9 55.050 -8.648 -4.956 67 HB3 GLU 9 HB1 GLU 9 56.563 -8.787 -4.060 68 HG2 GLU 9 HG2 GLU 9 56.977 -10.976 -4.881 69 HG3 GLU 9 HG1 GLU 9 55.317 -11.162 -5.448 70 H1U RCY 10 H1U RCY 10 60.543 -8.008 3.578 71 H1S RCY 10 H1S RCY 10 59.509 -11.939 1.902 72 HB1 RCY 10 HB1 RCY 10 58.967 -10.460 -0.844 73 HB2 RCY 10 HB2 RCY 10 58.621 -11.613 -2.133 74 HA RCY 10 HA RCY 10 56.785 -12.566 -0.744 75 HN1 RCY 10 HN1 RCY 10 56.088 -9.718 -0.940 76 H ARG 11 HN ARG 11 55.668 -12.596 1.227 77 HA ARG 11 HA ARG 11 56.225 -10.593 3.289 78 HE ARG 11 HE ARG 11 53.967 -10.853 7.678 79 HB2 ARG 11 HB2 ARG 11 54.089 -12.244 2.775 80 HB3 ARG 11 HB1 ARG 11 54.878 -13.108 4.092 81 HG2 ARG 11 HG2 ARG 11 54.156 -10.162 4.162 82 HG3 ARG 11 HG1 ARG 11 53.200 -11.444 4.905 83 HD2 ARG 11 HD2 ARG 11 55.307 -12.100 6.182 84 HD3 ARG 11 HD1 ARG 11 56.013 -10.587 5.614 85 HH11 ARG 11 HH21 ARG 11 55.376 -8.888 5.220 86 HH12 ARG 11 HH22 ARG 11 54.869 -7.395 5.937 87 HH21 ARG 11 HH11 ARG 11 53.297 -8.914 8.628 88 HH22 ARG 11 HH12 ARG 11 53.692 -7.410 7.866 89 H SER 12 HN SER 12 58.074 -12.974 2.125 90 HA SER 12 HA SER 12 60.014 -13.977 3.001 91 HG SER 12 HG SER 12 61.593 -13.371 4.050 92 HB2 SER 12 HB2 SER 12 59.752 -11.846 4.611 93 HB3 SER 12 HB1 SER 12 59.405 -13.105 5.793 94 H ALA 13 HN ALA 13 60.064 -15.008 5.816 95 HA ALA 13 HA ALA 13 57.774 -16.844 5.959 96 HB1 ALA 13 HB1 ALA 13 59.027 -18.875 5.677 97 HB2 ALA 13 HB2 ALA 13 60.555 -17.995 5.616 98 HB3 ALA 13 HB3 ALA 13 59.402 -17.856 4.287 99 H THR 14 HN THR 14 59.736 -14.851 7.479 100 HA THR 14 HA THR 14 59.255 -15.981 10.088 101 HB THR 14 HB THR 14 61.099 -17.454 9.599 102 HG1 THR 14 HG1 THR 14 61.710 -15.217 11.195 103 HG21 THR 14 HG21 THR 14 63.294 -16.547 8.861 104 HG22 THR 14 HG22 THR 14 62.565 -14.947 8.727 105 HG23 THR 14 HG23 THR 14 62.020 -16.255 7.677 106 H ARG 15 HN ARG 15 60.075 -13.508 7.995 107 HA ARG 15 HA ARG 15 60.545 -11.230 8.308 108 HE ARG 15 HE ARG 15 56.963 -10.172 9.416 109 HB2 ARG 15 HB2 ARG 15 58.424 -11.601 9.707 110 HB3 ARG 15 HB1 ARG 15 59.490 -11.640 11.112 111 HG2 ARG 15 HG2 ARG 15 60.317 -9.406 10.603 112 HG3 ARG 15 HG1 ARG 15 59.379 -9.365 9.110 113 HD2 ARG 15 HD2 ARG 15 58.277 -9.496 11.931 114 HD3 ARG 15 HD1 ARG 15 58.170 -8.129 10.822 115 HH11 ARG 15 HH21 ARG 15 56.659 -8.836 12.580 116 HH12 ARG 15 HH22 ARG 15 54.970 -9.195 12.714 117 HH21 ARG 15 HH11 ARG 15 54.759 -10.649 9.573 118 HH22 ARG 15 HH12 ARG 15 53.894 -10.221 11.012 119 H VAL 16 HN VAL 16 62.884 -12.027 8.325 120 HA VAL 16 HA VAL 16 64.385 -12.489 10.659 121 HB VAL 16 HB VAL 16 65.202 -10.999 8.146 122 HG11 VAL 16 HG11 VAL 16 67.513 -11.793 8.877 123 HG12 VAL 16 HG12 VAL 16 66.796 -12.141 10.450 124 HG13 VAL 16 HG13 VAL 16 66.818 -10.488 9.837 125 HG21 VAL 16 HG21 VAL 16 65.993 -13.131 7.367 126 HG22 VAL 16 HG22 VAL 16 64.345 -13.387 7.939 127 HG23 VAL 16 HG23 VAL 16 65.712 -13.878 8.939 128 H MET 17 HN MET 17 65.812 -10.970 11.844 129 HA MET 17 HA MET 17 64.474 -8.801 12.997 130 HB2 MET 17 HB2 MET 17 67.447 -9.268 12.638 131 HB3 MET 17 HB1 MET 17 66.782 -7.982 13.647 132 HG2 MET 17 HG2 MET 17 66.019 -10.889 13.991 133 HG3 MET 17 HG1 MET 17 67.353 -10.142 14.869 134 HE1 MET 17 HE1 MET 17 64.545 -10.520 17.513 135 HE2 MET 17 HE2 MET 17 66.010 -11.192 16.801 136 HE3 MET 17 HE3 MET 17 64.450 -11.496 16.042 137 H GLY 18 HN GLY 18 63.518 -7.322 11.606 138 HA2 GLY 18 HA2 GLY 18 64.883 -5.104 10.650 139 HA3 GLY 18 HA1 GLY 18 64.907 -6.235 9.296 140 H GLY 19 HN GLY 19 62.243 -6.198 11.567 141 HA2 GLY 19 HA2 GLY 19 60.298 -5.881 9.485 142 HA3 GLY 19 HA1 GLY 19 59.964 -5.759 11.213 143 HA PRO 20 HA PRO 20 59.427 -1.403 11.370 144 HB2 PRO 20 HB2 PRO 20 62.122 -1.160 12.668 145 HB3 PRO 20 HB1 PRO 20 60.568 -0.457 13.160 146 HG2 PRO 20 HG2 PRO 20 61.591 -2.608 14.371 147 HG3 PRO 20 HG1 PRO 20 59.848 -2.397 14.144 148 HD2 PRO 20 HD2 PRO 20 61.689 -4.288 12.798 149 HD3 PRO 20 HD1 PRO 20 59.927 -4.384 13.005 150 H1U RCY 21 H1U RCY 21 62.890 4.119 6.635 151 H1S RCY 21 H1S RCY 21 63.934 0.402 8.063 152 HB1 RCY 21 HB1 RCY 21 63.951 -2.928 7.808 153 HB2 RCY 21 HB2 RCY 21 64.683 -2.354 9.306 154 HA RCY 21 HA RCY 21 63.351 -0.176 8.896 155 HN1 RCY 21 HN1 RCY 21 62.423 -2.650 10.068 156 H THR 22 HN THR 22 62.087 0.884 7.439 157 HA THR 22 HA THR 22 61.095 -0.645 5.092 158 HB THR 22 HB THR 22 58.944 0.791 5.291 159 HG1 THR 22 HG1 THR 22 60.285 1.585 7.425 160 HG21 THR 22 HG21 THR 22 59.562 -1.465 7.216 161 HG22 THR 22 HG22 THR 22 58.892 -1.612 5.592 162 HG23 THR 22 HG23 THR 22 57.935 -0.875 6.877 163 HA PRO 23 HA PRO 23 62.686 2.595 2.549 164 HB2 PRO 23 HB2 PRO 23 59.848 2.958 1.637 165 HB3 PRO 23 HB1 PRO 23 61.331 2.828 0.671 166 HG2 PRO 23 HG2 PRO 23 59.642 0.771 0.973 167 HG3 PRO 23 HG1 PRO 23 61.391 0.545 0.825 168 HD2 PRO 23 HD2 PRO 23 59.665 0.168 3.192 169 HD3 PRO 23 HD1 PRO 23 61.292 -0.468 2.874 170 H ARG 24 HN ARG 24 63.178 4.637 3.245 171 HA ARG 24 HA ARG 24 60.974 6.375 4.261 172 HE ARG 24 HE ARG 24 62.084 6.897 8.601 173 HB2 ARG 24 HB2 ARG 24 63.555 5.663 5.658 174 HB3 ARG 24 HB1 ARG 24 62.710 7.169 6.014 175 HG2 ARG 24 HG2 ARG 24 61.127 4.628 6.009 176 HG3 ARG 24 HG1 ARG 24 62.179 4.954 7.387 177 HD2 ARG 24 HD2 ARG 24 60.305 7.079 6.370 178 HD3 ARG 24 HD1 ARG 24 59.722 5.825 7.465 179 HH11 ARG 24 HH21 ARG 24 58.887 7.829 7.710 180 HH12 ARG 24 HH22 ARG 24 58.750 9.034 8.946 181 HH21 ARG 24 HH11 ARG 24 61.924 8.465 10.221 182 HH22 ARG 24 HH12 ARG 24 60.470 9.394 10.368 183 H LYS 25 HN LYS 25 61.256 8.561 3.770 184 HA LYS 25 HA LYS 25 62.715 9.316 1.512 185 HB2 LYS 25 HB2 LYS 25 61.986 11.052 3.893 186 HB3 LYS 25 HB1 LYS 25 62.440 11.652 2.297 187 HG2 LYS 25 HG2 LYS 25 60.495 10.750 1.281 188 HG3 LYS 25 HG1 LYS 25 60.153 9.714 2.667 189 HD2 LYS 25 HD2 LYS 25 58.650 11.683 2.614 190 HD3 LYS 25 HD1 LYS 25 59.677 11.690 4.049 191 HE2 LYS 25 HE2 LYS 25 61.085 13.377 3.178 192 HE3 LYS 25 HE1 LYS 25 60.504 13.131 1.531 193 HZ1 LYS 25 HZ1 LYS 25 58.368 14.005 2.157 194 HZ2 LYS 25 HZ2 LYS 25 59.574 15.127 2.572 195 HZ3 LYS 25 HZ3 LYS 25 58.856 14.164 3.774 196 H GLY 26 HN GLY 26 63.660 10.430 4.780 197 HA2 GLY 26 HA2 GLY 26 65.794 10.652 5.737 198 HA3 GLY 26 HA1 GLY 26 66.372 9.478 4.553 199 HA PRO 27 HA PRO 27 68.101 13.876 3.827 200 HB2 PRO 27 HB2 PRO 27 70.462 12.101 3.343 201 HB3 PRO 27 HB1 PRO 27 70.386 13.679 4.152 202 HG2 PRO 27 HG2 PRO 27 70.625 11.410 5.530 203 HG3 PRO 27 HG1 PRO 27 69.678 12.777 6.139 204 HD2 PRO 27 HD2 PRO 27 68.728 10.177 5.034 205 HD3 PRO 27 HD1 PRO 27 67.957 11.248 6.224 206 HA PRO 28 HA PRO 28 67.603 13.882 -0.572 207 HB2 PRO 28 HB2 PRO 28 70.431 14.871 -0.710 208 HB3 PRO 28 HB1 PRO 28 68.977 15.510 -1.500 209 HG2 PRO 28 HG2 PRO 28 70.037 16.654 0.678 210 HG3 PRO 28 HG1 PRO 28 68.294 16.641 0.367 211 HD2 PRO 28 HD2 PRO 28 69.830 15.155 2.412 212 HD3 PRO 28 HD1 PRO 28 68.098 15.550 2.370 213 H LYS 29 HN LYS 29 68.525 12.870 -2.583 214 HA LYS 29 HA LYS 29 69.254 10.207 -2.310 215 HB2 LYS 29 HB2 LYS 29 70.351 10.499 -4.629 216 HB3 LYS 29 HB1 LYS 29 68.643 10.911 -4.485 217 HG2 LYS 29 HG2 LYS 29 70.404 13.162 -3.835 218 HG3 LYS 29 HG1 LYS 29 70.619 12.583 -5.487 219 HD2 LYS 29 HD2 LYS 29 68.202 12.768 -5.887 220 HD3 LYS 29 HD1 LYS 29 67.957 13.306 -4.225 221 HE2 LYS 29 HE2 LYS 29 69.700 14.746 -6.245 222 HE3 LYS 29 HE1 LYS 29 68.039 15.199 -5.861 223 HZ1 LYS 29 HZ1 LYS 29 69.021 16.473 -4.321 224 HZ2 LYS 29 HZ2 LYS 29 70.462 15.572 -4.323 225 HZ3 LYS 29 HZ3 LYS 29 69.123 15.037 -3.424 226 H1U RCY 30 H1U RCY 30 69.811 9.408 -5.304 227 H1S RCY 30 H1S RCY 30 71.376 13.039 -4.110 228 HB1 RCY 30 HB1 RCY 30 74.064 11.437 -3.236 229 HB2 RCY 30 HB2 RCY 30 75.106 12.537 -2.333 230 HA RCY 30 HA RCY 30 73.451 11.223 -0.922 231 HN1 RCY 30 HN1 RCY 30 71.242 12.969 -1.751 232 H LYS 31 HN LYS 31 75.250 12.628 0.060 233 HA LYS 31 HA LYS 31 74.504 15.358 0.776 234 HB2 LYS 31 HB2 LYS 31 73.467 13.336 2.366 235 HB3 LYS 31 HB1 LYS 31 74.936 13.775 3.230 236 HG2 LYS 31 HG2 LYS 31 72.836 15.755 2.297 237 HG3 LYS 31 HG1 LYS 31 72.966 15.134 3.943 238 HD2 LYS 31 HD2 LYS 31 75.405 16.327 2.687 239 HD3 LYS 31 HD1 LYS 31 74.139 17.418 3.252 240 HE2 LYS 31 HE2 LYS 31 75.225 15.207 5.000 241 HE3 LYS 31 HE1 LYS 31 75.977 16.801 4.945 242 HZ1 LYS 31 HZ1 LYS 31 73.432 17.478 5.257 243 HZ2 LYS 31 HZ2 LYS 31 74.490 17.220 6.561 244 HZ3 LYS 31 HZ3 LYS 31 73.425 15.990 6.072 245 H GLN 32 HN GLN 32 76.656 15.127 -0.527 246 HA GLN 32 HA GLN 32 78.992 15.331 -0.538 247 HB2 GLN 32 HB2 GLN 32 78.713 15.777 2.444 248 HB3 GLN 32 HB1 GLN 32 79.986 16.375 1.380 249 HG2 GLN 32 HG2 GLN 32 78.369 17.781 0.190 250 HG3 GLN 32 HG1 GLN 32 77.059 17.150 1.189 251 HE21 GLN 32 HE21 GLN 32 79.434 17.206 3.385 252 HE22 GLN 32 HE22 GLN 32 79.302 18.795 3.969 253 H ARG 33 HN ARG 33 80.077 13.461 -0.895 254 HA ARG 33 HA ARG 33 80.230 11.466 1.338 255 HE ARG 33 HE ARG 33 78.279 7.458 -1.079 256 HB2 ARG 33 HB2 ARG 33 80.299 11.101 -1.668 257 HB3 ARG 33 HB1 ARG 33 80.739 9.825 -0.532 258 HG2 ARG 33 HG2 ARG 33 78.541 9.812 0.435 259 HG3 ARG 33 HG1 ARG 33 78.087 11.281 -0.429 260 HD2 ARG 33 HD2 ARG 33 77.103 9.467 -1.642 261 HD3 ARG 33 HD1 ARG 33 78.497 9.990 -2.587 262 HH11 ARG 33 HH21 ARG 33 80.154 9.747 -2.849 263 HH12 ARG 33 HH22 ARG 33 81.420 8.624 -3.219 264 HH21 ARG 33 HH11 ARG 33 79.921 5.978 -1.552 265 HH22 ARG 33 HH12 ARG 33 81.288 6.490 -2.485 266 H GLN 34 HN GLN 34 82.163 11.916 2.335 267 HA GLN 34 HA GLN 34 84.502 12.765 0.780 268 HB2 GLN 34 HB2 GLN 34 84.313 11.997 3.709 269 HB3 GLN 34 HB1 GLN 34 85.632 12.878 2.938 270 HG2 GLN 34 HG2 GLN 34 84.312 14.572 3.937 271 HG3 GLN 34 HG1 GLN 34 83.832 14.593 2.240 272 HE21 GLN 34 HE21 GLN 34 82.845 13.243 5.424 273 HE22 GLN 34 HE22 GLN 34 81.194 13.150 5.042 274 H THR 35 HN THR 35 86.116 11.423 0.067 275 HA THR 35 HA THR 35 86.724 8.885 1.313 276 HB THR 35 HB THR 35 84.807 7.978 0.274 277 HG1 THR 35 HG1 THR 35 85.923 6.491 -0.663 278 HG21 THR 35 HG21 THR 35 84.106 9.828 -1.078 279 HG22 THR 35 HG22 THR 35 84.329 8.465 -2.175 280 HG23 THR 35 HG23 THR 35 85.555 9.728 -2.077 281 H ARG 36 HN ARG 36 88.629 10.524 1.026 282 HA ARG 36 HA ARG 36 89.838 10.370 -1.682 283 HE ARG 36 HE ARG 36 88.813 14.908 -2.575 284 HB2 ARG 36 HB2 ARG 36 90.930 11.758 0.779 285 HB3 ARG 36 HB1 ARG 36 91.403 12.023 -0.899 286 HG2 ARG 36 HG2 ARG 36 88.654 12.585 0.253 287 HG3 ARG 36 HG1 ARG 36 89.879 13.804 -0.102 288 HD2 ARG 36 HD2 ARG 36 89.866 12.794 -2.500 289 HD3 ARG 36 HD1 ARG 36 88.322 12.085 -2.026 290 HH11 ARG 36 HH21 ARG 36 86.939 12.564 -0.878 291 HH12 ARG 36 HH22 ARG 36 85.548 13.586 -0.734 292 HH21 ARG 36 HH11 ARG 36 87.007 16.256 -2.396 293 HH22 ARG 36 HH12 ARG 36 85.586 15.676 -1.594 294 H GLN 37 HN GLN 37 89.630 8.266 0.711 295 HA GLN 37 HA GLN 37 92.524 7.555 0.802 296 HB2 GLN 37 HB2 GLN 37 91.137 5.706 2.377 297 HB3 GLN 37 HB1 GLN 37 92.003 7.123 2.964 298 HG2 GLN 37 HG2 GLN 37 89.741 7.214 3.831 299 HG3 GLN 37 HG1 GLN 37 89.907 8.470 2.605 300 HE21 GLN 37 HE21 GLN 37 87.788 6.122 3.603 301 HE22 GLN 37 HE22 GLN 37 87.022 5.783 2.127 302 H1U RCY 38 H1U RCY 38 82.923 3.226 -2.808 303 H1S RCY 38 H1S RCY 38 87.236 3.246 -2.479 304 HB1 RCY 38 HB1 RCY 38 89.602 3.639 -2.765 305 HB2 RCY 38 HB2 RCY 38 90.397 5.187 -2.483 306 HA RCY 38 HA RCY 38 89.304 3.407 -0.284 307 HN1 RCY 38 HN1 RCY 38 89.723 5.373 0.929 308 H LYS 39 HN LYS 39 90.669 1.799 0.406 309 HA LYS 39 HA LYS 39 92.535 0.379 0.446 310 HB2 LYS 39 HB2 LYS 39 91.976 0.451 -2.069 311 HB3 LYS 39 HB1 LYS 39 93.310 1.598 -2.209 312 HG2 LYS 39 HG2 LYS 39 94.661 -0.206 -0.876 313 HG3 LYS 39 HG1 LYS 39 93.391 -1.303 -1.417 314 HD2 LYS 39 HD2 LYS 39 95.098 0.441 -3.218 315 HD3 LYS 39 HD1 LYS 39 95.276 -1.301 -3.006 316 HE2 LYS 39 HE2 LYS 39 93.976 -1.108 -4.968 317 HE3 LYS 39 HE1 LYS 39 92.787 -1.437 -3.707 318 HZ1 LYS 39 HZ1 LYS 39 91.884 0.574 -3.938 319 HZ2 LYS 39 HZ2 LYS 39 92.711 0.652 -5.420 320 HZ3 LYS 39 HZ3 LYS 39 93.387 1.356 -4.029 321 H SER 40 HN SER 40 93.438 1.695 2.196 322 HA SER 40 HA SER 40 96.086 2.703 1.538 323 HG SER 40 HG SER 40 95.805 4.904 0.344 324 HB2 SER 40 HB2 SER 40 93.920 4.629 2.414 325 HB3 SER 40 HB1 SER 40 95.640 4.990 2.532 326 H LYS 41 HN LYS 41 93.490 2.670 3.994 327 HA LYS 41 HA LYS 41 95.481 2.574 6.156 328 HB2 LYS 41 HB2 LYS 41 92.456 2.469 6.125 329 HB3 LYS 41 HB1 LYS 41 93.409 2.344 7.603 330 HG2 LYS 41 HG2 LYS 41 94.267 4.537 7.374 331 HG3 LYS 41 HG1 LYS 41 93.798 4.634 5.676 332 HD2 LYS 41 HD2 LYS 41 91.615 4.162 7.646 333 HD3 LYS 41 HD1 LYS 41 92.341 5.770 7.630 334 HE2 LYS 41 HE2 LYS 41 90.492 5.787 6.074 335 HE3 LYS 41 HE1 LYS 41 91.984 5.819 5.134 336 HZ1 LYS 41 HZ1 LYS 41 90.166 4.173 4.463 337 HZ2 LYS 41 HZ2 LYS 41 90.671 3.265 5.807 338 HZ3 LYS 41 HZ3 LYS 41 91.762 3.603 4.549 339 HA PRO 42 HA PRO 42 95.611 -1.872 6.182 340 HB2 PRO 42 HB2 PRO 42 96.616 -2.295 8.681 341 HB3 PRO 42 HB1 PRO 42 97.595 -1.638 7.354 342 HG2 PRO 42 HG2 PRO 42 96.284 -0.206 9.612 343 HG3 PRO 42 HG1 PRO 42 97.882 0.048 8.889 344 HD2 PRO 42 HD2 PRO 42 95.705 1.623 8.313 345 HD3 PRO 42 HD1 PRO 42 97.046 1.358 7.176 346 HA PRO 43 HA PRO 43 91.958 -3.296 8.274 347 HB2 PRO 43 HB2 PRO 43 92.470 -5.952 8.554 348 HB3 PRO 43 HB1 PRO 43 92.167 -5.203 6.973 349 HG2 PRO 43 HG2 PRO 43 94.755 -5.977 8.224 350 HG3 PRO 43 HG1 PRO 43 94.220 -6.139 6.543 351 HD2 PRO 43 HD2 PRO 43 95.876 -4.120 7.418 352 HD3 PRO 43 HD1 PRO 43 94.803 -3.970 6.009 353 H LYS 44 HN LYS 44 91.258 -3.294 10.392 354 HA LYS 44 HA LYS 44 92.891 -4.551 12.492 355 HB2 LYS 44 HB2 LYS 44 93.425 -1.921 11.981 356 HB3 LYS 44 HB1 LYS 44 92.138 -1.756 13.170 357 HG2 LYS 44 HG2 LYS 44 94.020 -1.894 14.544 358 HG3 LYS 44 HG1 LYS 44 93.505 -3.580 14.487 359 HD2 LYS 44 HD2 LYS 44 95.119 -4.055 12.719 360 HD3 LYS 44 HD1 LYS 44 95.588 -2.356 12.654 361 HE2 LYS 44 HE2 LYS 44 96.245 -2.543 15.092 362 HE3 LYS 44 HE1 LYS 44 95.995 -4.283 14.954 363 HZ1 LYS 44 HZ1 LYS 44 97.725 -4.494 13.445 364 HZ2 LYS 44 HZ2 LYS 44 98.331 -3.366 14.561 365 HZ3 LYS 44 HZ3 LYS 44 97.738 -2.842 13.057 366 H LYS 45 HN LYS 45 90.420 -1.991 12.741 367 HA LYS 45 HA LYS 45 88.123 -3.583 12.992 368 HB2 LYS 45 HB2 LYS 45 89.917 -3.909 15.239 369 HB3 LYS 45 HB1 LYS 45 88.436 -3.129 15.787 370 HG2 LYS 45 HG2 LYS 45 87.074 -4.902 14.910 371 HG3 LYS 45 HG1 LYS 45 88.442 -5.608 14.048 372 HD2 LYS 45 HD2 LYS 45 89.560 -5.990 16.265 373 HD3 LYS 45 HD1 LYS 45 88.078 -5.448 17.053 374 HE2 LYS 45 HE2 LYS 45 88.075 -7.887 16.917 375 HE3 LYS 45 HE1 LYS 45 86.826 -7.240 15.855 376 HZ1 LYS 45 HZ1 LYS 45 89.558 -7.958 14.948 377 HZ2 LYS 45 HZ2 LYS 45 88.231 -7.533 13.976 378 HZ3 LYS 45 HZ3 LYS 45 88.222 -8.999 14.835 379 H GLY 46 HN GLY 46 86.901 -1.854 12.339 380 HA2 GLY 46 HA2 GLY 46 85.561 0.058 12.804 381 HA3 GLY 46 HA1 GLY 46 86.521 0.345 14.256 382 H VAL 47 HN VAL 47 89.100 0.266 12.943 383 HA VAL 47 HA VAL 47 89.542 2.940 12.321 384 HB VAL 47 HB VAL 47 91.574 2.206 11.126 385 HG11 VAL 47 HG11 VAL 47 92.587 1.011 12.959 386 HG12 VAL 47 HG12 VAL 47 91.025 0.386 13.486 387 HG13 VAL 47 HG13 VAL 47 91.387 2.104 13.649 388 HG21 VAL 47 HG21 VAL 47 90.796 0.382 9.802 389 HG22 VAL 47 HG22 VAL 47 90.142 -0.458 11.208 390 HG23 VAL 47 HG23 VAL 47 91.888 -0.341 10.983 391 H GLN 48 HN GLN 48 89.042 4.244 10.610 392 HA GLN 48 HA GLN 48 88.705 3.175 7.919 393 HB2 GLN 48 HB2 GLN 48 86.434 3.186 9.606 394 HB3 GLN 48 HB1 GLN 48 86.225 4.561 8.523 395 HG2 GLN 48 HG2 GLN 48 86.842 1.719 7.659 396 HG3 GLN 48 HG1 GLN 48 85.270 2.509 7.536 397 HE21 GLN 48 HE21 GLN 48 88.502 2.349 6.134 398 HE22 GLN 48 HE22 GLN 48 88.175 3.354 4.805 399 H GLY 49 HN GLY 49 89.172 5.685 10.143 400 HA2 GLY 49 HA2 GLY 49 90.077 7.831 9.695 401 HA3 GLY 49 HA1 GLY 49 89.812 7.551 7.974 402 H1U RCY 50 H1U RCY 50 85.137 2.443 3.401 403 H1S RCY 50 H1S RCY 50 86.051 5.614 5.806 404 HB1 RCY 50 HB1 RCY 50 83.668 8.264 8.083 405 HB2 RCY 50 HB2 RCY 50 84.539 6.768 8.423 406 HA RCY 50 HA RCY 50 85.861 9.483 8.138 407 HN1 RCY 50 HN1 RCY 50 86.979 6.834 8.331 408 H GLY 51 HN GLY 51 83.496 8.100 9.846 409 HA2 GLY 51 HA2 GLY 51 82.776 8.207 12.090 410 HA3 GLY 51 HA1 GLY 51 84.456 8.458 12.570 411 H ASP 52 HN ASP 52 83.560 10.602 10.120 412 HA ASP 52 HA ASP 52 83.354 12.810 12.108 413 HB2 ASP 52 HB2 ASP 52 84.015 12.718 9.158 414 HB3 ASP 52 HB1 ASP 52 83.686 14.232 10.000 415 H ASP 53 HN ASP 53 81.587 11.234 9.502 416 HA ASP 53 HA ASP 53 79.514 13.244 9.304 417 HB2 ASP 53 HB2 ASP 53 78.267 11.485 8.075 418 HB3 ASP 53 HB1 ASP 53 79.920 11.647 7.482 419 H ILE 54 HN ILE 54 77.167 11.683 9.536 420 HA ILE 54 HA ILE 54 77.098 11.091 12.474 421 HB ILE 54 HB ILE 54 74.783 12.238 10.904 422 HG12 ILE 54 HG12 ILE 54 75.628 14.350 12.341 423 HG13 ILE 54 HG11 ILE 54 77.188 13.578 12.051 424 HG21 ILE 54 HG21 ILE 54 75.417 12.404 13.857 425 HG22 ILE 54 HG22 ILE 54 74.497 11.069 13.162 426 HG23 ILE 54 HG23 ILE 54 73.875 12.716 13.060 427 HD11 ILE 54 HD11 ILE 54 75.249 14.731 10.074 428 HD12 ILE 54 HD12 ILE 54 76.299 13.406 9.572 429 HD13 ILE 54 HD13 ILE 54 77.001 14.915 10.156 430 HA PRO 55 HA PRO 55 75.486 7.452 10.115 431 HB2 PRO 55 HB2 PRO 55 77.018 5.553 11.301 432 HB3 PRO 55 HB1 PRO 55 77.616 6.550 9.960 433 HG2 PRO 55 HG2 PRO 55 78.158 6.779 12.871 434 HG3 PRO 55 HG1 PRO 55 79.235 7.059 11.494 435 HD2 PRO 55 HD2 PRO 55 77.946 9.067 12.933 436 HD3 PRO 55 HD1 PRO 55 78.595 9.252 11.289 437 H GLY 56 HN GLY 56 74.157 5.669 10.920 438 HA2 GLY 56 HA2 GLY 56 72.910 4.492 12.565 439 HA3 GLY 56 HA1 GLY 56 73.744 5.415 13.817 440 H MET 57 HN MET 57 72.419 7.253 11.227 441 HA MET 57 HA MET 57 69.794 7.654 12.433 442 HB2 MET 57 HB2 MET 57 71.342 8.950 13.948 443 HB3 MET 57 HB1 MET 57 71.774 9.947 12.560 444 HG2 MET 57 HG2 MET 57 69.993 11.240 13.071 445 HG3 MET 57 HG1 MET 57 68.979 9.902 12.529 446 HE1 MET 57 HE1 MET 57 67.785 8.084 15.496 447 HE2 MET 57 HE2 MET 57 69.276 7.581 14.704 448 HE3 MET 57 HE3 MET 57 67.958 8.251 13.744 449 H GLU 58 HN GLU 58 69.700 6.962 10.034 450 HA GLU 58 HA GLU 58 69.164 9.365 8.447 451 HB2 GLU 58 HB2 GLU 58 70.621 8.557 6.539 452 HB3 GLU 58 HB1 GLU 58 71.510 9.161 7.936 453 HG2 GLU 58 HG2 GLU 58 70.845 6.231 7.633 454 HG3 GLU 58 HG1 GLU 58 72.305 6.927 6.929 455 H GLY 59 HN GLY 59 69.663 7.202 6.129 456 HA2 GLY 59 HA2 GLY 59 68.016 5.030 6.250 457 HA3 GLY 59 HA1 GLY 59 66.855 6.351 6.100 458 H1U RCY 60 H1U RCY 60 76.398 5.719 2.950 459 H1S RCY 60 H1S RCY 60 72.417 6.175 1.673 460 HB1 RCY 60 HB1 RCY 60 70.024 6.681 0.968 461 HB2 RCY 60 HB2 RCY 60 69.991 5.776 2.481 462 HA RCY 60 HA RCY 60 68.557 8.415 2.094 463 HN1 RCY 60 HN1 RCY 60 68.311 8.060 4.404 464 H GLY 61 HN GLY 61 68.398 6.901 -0.116 465 HA2 GLY 61 HA2 GLY 61 66.387 4.836 -0.056 466 HA3 GLY 61 HA1 GLY 61 65.671 6.385 -0.510 467 H THR 62 HN THR 62 67.115 7.597 -2.221 468 HA THR 62 HA THR 62 67.703 7.587 -4.501 469 HB THR 62 HB THR 62 69.623 5.973 -4.974 470 HG1 THR 62 HG1 THR 62 70.028 5.464 -2.360 471 HG21 THR 62 HG21 THR 62 69.629 7.916 -2.665 472 HG22 THR 62 HG22 THR 62 70.221 8.165 -4.308 473 HG23 THR 62 HG23 THR 62 71.106 7.114 -3.202 474 H ASP 63 HN ASP 63 65.889 6.935 -5.661 475 HA ASP 63 HA ASP 63 64.962 4.194 -5.733 476 HB2 ASP 63 HB2 ASP 63 63.676 5.034 -7.776 477 HB3 ASP 63 HB1 ASP 63 63.365 5.901 -6.271 478 H ILE 64 HN ILE 64 67.613 3.971 -6.135 479 HA ILE 64 HA ILE 64 69.240 3.119 -7.574 480 HB ILE 64 HB ILE 64 66.856 2.382 -9.282 481 HG12 ILE 64 HG12 ILE 64 67.786 0.136 -7.901 482 HG13 ILE 64 HG11 ILE 64 67.794 1.422 -6.693 483 HG21 ILE 64 HG21 ILE 64 68.798 2.068 -10.591 484 HG22 ILE 64 HG22 ILE 64 68.514 0.481 -9.876 485 HG23 ILE 64 HG23 ILE 64 69.753 1.542 -9.204 486 HD11 ILE 64 HD11 ILE 64 65.458 1.956 -7.208 487 HD12 ILE 64 HD12 ILE 64 65.604 0.250 -6.786 488 HD13 ILE 64 HD13 ILE 64 65.439 0.729 -8.475 489 H THR 65 HN THR 65 69.909 5.369 -8.019 490 HA THR 65 HA THR 65 68.910 6.901 -10.173 491 HB THR 65 HB THR 65 71.849 6.719 -9.474 492 HG1 THR 65 HG1 THR 65 70.275 6.930 -7.650 493 HG21 THR 65 HG21 THR 65 71.907 9.019 -10.159 494 HG22 THR 65 HG22 THR 65 70.147 9.104 -10.230 495 HG23 THR 65 HG23 THR 65 71.031 8.138 -11.411 496 H VAL 66 HN VAL 66 70.641 3.945 -10.123 497 HA VAL 66 HA VAL 66 70.434 3.698 -13.019 498 HB VAL 66 HB VAL 66 73.071 3.028 -12.882 499 HG11 VAL 66 HG11 VAL 66 72.190 5.888 -13.325 500 HG12 VAL 66 HG12 VAL 66 71.813 4.597 -14.466 501 HG13 VAL 66 HG13 VAL 66 73.493 5.017 -14.133 502 HG21 VAL 66 HG21 VAL 66 72.998 3.950 -10.468 503 HG22 VAL 66 HG22 VAL 66 72.892 5.543 -11.217 504 HG23 VAL 66 HG23 VAL 66 74.301 4.524 -11.509 505 H ILE 67 HN ILE 67 72.680 2.199 -10.702 506 HA ILE 67 HA ILE 67 71.054 -0.293 -10.787 507 HB ILE 67 HB ILE 67 74.055 -0.229 -11.208 508 HG12 ILE 67 HG12 ILE 67 71.814 -0.726 -13.196 509 HG13 ILE 67 HG11 ILE 67 72.833 0.713 -13.148 510 HG21 ILE 67 HG21 ILE 67 72.029 -2.469 -11.493 511 HG22 ILE 67 HG22 ILE 67 73.097 -2.257 -10.106 512 HG23 ILE 67 HG23 ILE 67 73.775 -2.604 -11.696 513 HD11 ILE 67 HD11 ILE 67 73.811 -0.702 -14.801 514 HD12 ILE 67 HD12 ILE 67 73.661 -2.127 -13.773 515 HD13 ILE 67 HD13 ILE 67 74.831 -0.870 -13.373 516 H1U RCY 68 H1U RCY 68 74.610 2.432 -1.241 517 H1S RCY 68 H1S RCY 68 70.681 3.333 -3.957 518 HB1 RCY 68 HB1 RCY 68 70.603 -0.087 -5.000 519 HB2 RCY 68 HB2 RCY 68 69.646 0.100 -6.464 520 HA RCY 68 HA RCY 68 72.647 0.292 -6.592 521 HN1 RCY 68 HN1 RCY 68 70.487 -0.082 -8.575 522 HA PRO 69 HA PRO 69 73.632 -3.861 -5.516 523 HB2 PRO 69 HB2 PRO 69 72.157 -3.431 -2.933 524 HB3 PRO 69 HB1 PRO 69 73.757 -4.153 -3.207 525 HG2 PRO 69 HG2 PRO 69 73.502 -1.650 -2.349 526 HG3 PRO 69 HG1 PRO 69 74.771 -2.100 -3.499 527 HD2 PRO 69 HD2 PRO 69 72.296 -0.516 -3.966 528 HD3 PRO 69 HD1 PRO 69 73.837 -0.491 -4.853 529 H TRP 70 HN TRP 70 70.329 -2.809 -5.390 530 HA TRP 70 HA TRP 70 69.138 -5.412 -4.961 531 HD1 TRP 70 HD1 TRP 70 67.568 -0.915 -5.837 532 HE1 TRP 70 HE1 TRP 70 68.247 0.427 -3.744 533 HE3 TRP 70 HE3 TRP 70 69.092 -4.727 -2.800 534 HZ2 TRP 70 HZ2 TRP 70 69.300 -0.052 -1.124 535 HZ3 TRP 70 HZ3 TRP 70 69.926 -4.259 -0.517 536 HH2 TRP 70 HH2 TRP 70 70.033 -1.931 0.326 537 HB2 TRP 70 HB2 TRP 70 67.680 -3.346 -6.555 538 HB3 TRP 70 HB1 TRP 70 67.109 -4.336 -5.212 539 H GLU 71 HN GLU 71 70.876 -4.104 -7.529 540 HA GLU 71 HA GLU 71 70.091 -6.355 -9.268 541 HB2 GLU 71 HB2 GLU 71 69.843 -3.458 -10.143 542 HB3 GLU 71 HB1 GLU 71 69.717 -4.851 -11.219 543 HG2 GLU 71 HG2 GLU 71 67.859 -5.692 -9.664 544 HG3 GLU 71 HG1 GLU 71 67.867 -4.076 -8.958 545 H ALA 72 HN ALA 72 72.440 -4.619 -7.858 546 HA ALA 72 HA ALA 72 74.284 -4.265 -10.086 547 HB1 ALA 72 HB1 ALA 72 74.258 -3.043 -7.784 548 HB2 ALA 72 HB2 ALA 72 75.816 -3.473 -8.490 549 HB3 ALA 72 HB3 ALA 72 75.128 -4.463 -7.201 550 H1U RCY 73 H1U RCY 73 77.167 -6.086 -1.449 551 H1S RCY 73 H1S RCY 73 74.451 -8.158 -4.871 552 HB1 RCY 73 HB1 RCY 73 73.942 -10.000 -7.556 553 HB2 RCY 73 HB2 RCY 73 73.705 -8.553 -6.578 554 HA RCY 73 HA RCY 73 76.181 -8.236 -7.950 555 HN1 RCY 73 HN1 RCY 73 73.914 -6.672 -7.475 556 H ASN 74 HN ASN 74 76.746 -8.379 -10.137 557 HA ASN 74 HA ASN 74 75.633 -10.523 -11.656 558 HB2 ASN 74 HB2 ASN 74 74.167 -8.091 -11.866 559 HB3 ASN 74 HB1 ASN 74 75.053 -8.274 -13.379 560 HD21 ASN 74 HD21 ASN 74 73.320 -8.992 -14.722 561 HD22 ASN 74 HD22 ASN 74 72.465 -10.432 -14.445 562 H HIS 75 HN HIS 75 77.720 -7.845 -11.223 563 HA HIS 75 HA HIS 75 79.687 -9.019 -13.041 564 HD1 HIS 75 HD1 HIS 75 80.761 -8.882 -15.318 565 HD2 HIS 75 HD2 HIS 75 80.796 -4.804 -14.440 566 HE1 HIS 75 HE1 HIS 75 82.878 -7.946 -16.348 567 HE2 HIS 75 HE2 HIS 75 82.911 -5.465 -15.820 568 HB2 HIS 75 HB2 HIS 75 78.326 -7.661 -14.601 569 HB3 HIS 75 HB1 HIS 75 78.598 -6.240 -13.594 570 H1U RCY 76 H1U RCY 76 79.577 -0.869 -4.981 571 H1S RCY 76 H1S RCY 76 77.917 -3.889 -7.664 572 HB1 RCY 76 HB1 RCY 76 81.412 -5.058 -8.792 573 HB2 RCY 76 HB2 RCY 76 80.329 -6.369 -9.257 574 HA RCY 76 HA RCY 76 81.390 -4.358 -11.252 575 HN1 RCY 76 HN1 RCY 76 79.862 -5.609 -12.527 576 H GLU 77 HN GLU 77 82.667 -6.260 -12.856 577 HA GLU 77 HA GLU 77 84.492 -7.901 -11.313 578 HB2 GLU 77 HB2 GLU 77 83.805 -8.208 -13.774 579 HB3 GLU 77 HB1 GLU 77 84.963 -6.927 -14.135 580 HG2 GLU 77 HG2 GLU 77 86.192 -8.949 -14.377 581 HG3 GLU 77 HG1 GLU 77 86.668 -8.311 -12.803 582 H LEU 78 HN LEU 78 84.648 -5.467 -10.104 583 HA LEU 78 HA LEU 78 87.146 -4.198 -11.146 584 HG LEU 78 HG LEU 78 85.468 -2.798 -12.052 585 HB2 LEU 78 HB2 LEU 78 84.826 -3.228 -9.526 586 HB3 LEU 78 HB1 LEU 78 86.400 -2.498 -9.214 587 HD11 LEU 78 HD11 LEU 78 84.497 -0.460 -11.810 588 HD12 LEU 78 HD12 LEU 78 84.566 -0.700 -10.064 589 HD13 LEU 78 HD13 LEU 78 83.552 -1.746 -11.059 590 HD21 LEU 78 HD21 LEU 78 86.822 -0.726 -12.286 591 HD22 LEU 78 HD22 LEU 78 87.762 -2.045 -11.589 592 HD23 LEU 78 HD23 LEU 78 87.144 -0.758 -10.552 593 H HIS 79 HN HIS 79 85.682 -4.876 -7.940 594 HA HIS 79 HA HIS 79 88.294 -4.994 -6.672 595 HD1 HIS 79 HD1 HIS 79 84.550 -3.348 -5.320 596 HD2 HIS 79 HD2 HIS 79 88.647 -3.495 -4.549 597 HE1 HIS 79 HE1 HIS 79 85.204 -1.047 -4.487 598 HE2 HIS 79 HE2 HIS 79 87.696 -1.123 -4.015 599 HB2 HIS 79 HB2 HIS 79 85.476 -5.606 -5.784 600 HB3 HIS 79 HB1 HIS 79 86.851 -6.004 -4.754 601 H GLU 80 HN GLU 80 89.600 -6.649 -7.378 602 HA GLU 80 HA GLU 80 88.424 -9.373 -7.649 603 HB2 GLU 80 HB2 GLU 80 91.263 -9.175 -8.285 604 HB3 GLU 80 HB1 GLU 80 89.925 -9.677 -9.318 605 HG2 GLU 80 HG2 GLU 80 89.357 -7.286 -9.704 606 HG3 GLU 80 HG1 GLU 80 90.756 -6.819 -8.735 607 H LEU 81 HN LEU 81 90.357 -7.446 -5.555 608 HA LEU 81 HA LEU 81 91.732 -9.700 -4.288 609 HG LEU 81 HG LEU 81 93.906 -8.515 -4.188 610 HB2 LEU 81 HB2 LEU 81 91.492 -6.752 -3.683 611 HB3 LEU 81 HB1 LEU 81 92.261 -7.860 -2.547 612 HD11 LEU 81 HD11 LEU 81 92.159 -6.925 -6.073 613 HD12 LEU 81 HD12 LEU 81 92.651 -8.613 -6.207 614 HD13 LEU 81 HD13 LEU 81 93.831 -7.328 -6.465 615 HD21 LEU 81 HD21 LEU 81 93.581 -5.514 -4.452 616 HD22 LEU 81 HD22 LEU 81 95.083 -6.439 -4.477 617 HD23 LEU 81 HD23 LEU 81 94.164 -6.290 -2.979 618 H ALA 82 HN ALA 82 89.177 -7.406 -3.249 619 HA ALA 82 HA ALA 82 88.577 -8.867 -0.838 620 HB1 ALA 82 HB1 ALA 82 87.936 -6.531 -1.019 621 HB2 ALA 82 HB2 ALA 82 86.468 -7.495 -0.856 622 HB3 ALA 82 HB3 ALA 82 86.944 -6.873 -2.436 623 H GLN 83 HN GLN 83 87.889 -10.968 -0.983 624 HA GLN 83 HA GLN 83 85.589 -11.530 -2.809 625 HB2 GLN 83 HB2 GLN 83 87.907 -13.423 -2.332 626 HB3 GLN 83 HB1 GLN 83 86.551 -13.660 -3.435 627 HG2 GLN 83 HG2 GLN 83 87.387 -11.346 -4.431 628 HG3 GLN 83 HG1 GLN 83 88.916 -11.842 -3.704 629 HE21 GLN 83 HE21 GLN 83 87.810 -11.777 -6.645 630 HE22 GLN 83 HE22 GLN 83 88.236 -13.308 -7.242 631 H TYR 84 HN TYR 84 85.445 -10.921 -0.025 632 HA TYR 84 HA TYR 84 84.056 -13.318 0.888 633 HD1 TYR 84 HD2 TYR 84 85.376 -15.647 1.195 634 HD2 TYR 84 HD1 TYR 84 85.020 -13.206 4.712 635 HE1 TYR 84 HE2 TYR 84 84.459 -17.582 2.446 636 HE2 TYR 84 HE1 TYR 84 84.103 -15.141 5.962 637 HH TYR 84 HH TYR 84 83.653 -18.307 4.376 638 HB2 TYR 84 HB2 TYR 84 86.646 -13.449 1.502 639 HB3 TYR 84 HB1 TYR 84 86.157 -12.373 2.811 640 H GLY 85 HN GLY 85 85.051 -10.000 1.281 641 HA2 GLY 85 HA2 GLY 85 83.551 -8.257 1.979 642 HA3 GLY 85 HA1 GLY 85 82.535 -9.474 2.750 643 H ILE 86 HN ILE 86 86.045 -9.128 3.165 644 HA ILE 86 HA ILE 86 85.668 -9.072 6.073 645 HB ILE 86 HB ILE 86 87.561 -10.301 4.966 646 HG12 ILE 86 HG12 ILE 86 88.620 -8.087 6.731 647 HG13 ILE 86 HG11 ILE 86 87.568 -9.353 7.367 648 HG21 ILE 86 HG21 ILE 86 89.312 -9.159 3.889 649 HG22 ILE 86 HG22 ILE 86 88.858 -7.607 4.593 650 HG23 ILE 86 HG23 ILE 86 87.877 -8.314 3.309 651 HD11 ILE 86 HD11 ILE 86 89.145 -11.074 6.597 652 HD12 ILE 86 HD12 ILE 86 89.961 -9.928 7.661 653 HD13 ILE 86 HD13 ILE 86 90.189 -9.827 5.915 654 H1U RCY 87 H1U RCY 87 80.268 -4.992 4.031 655 H1S RCY 87 H1S RCY 87 82.437 -6.975 7.213 656 HB1 RCY 87 HB1 RCY 87 84.356 -4.005 7.768 657 HB2 RCY 87 HB2 RCY 87 85.686 -4.471 8.826 658 HA RCY 87 HA RCY 87 85.513 -4.632 5.931 659 HN1 RCY 87 HN1 RCY 87 85.392 -7.214 7.205 Start of MODEL 10 1 HA MET 1 HA MET 1 60.179 -10.428 16.939 2 HB2 MET 1 HB2 MET 1 59.578 -9.143 14.272 3 HB3 MET 1 HB1 MET 1 59.259 -8.511 15.887 4 HG2 MET 1 HG2 MET 1 61.952 -8.842 14.544 5 HG3 MET 1 HG1 MET 1 61.183 -7.337 15.047 6 HE1 MET 1 HE1 MET 1 60.614 -6.662 17.204 7 HE2 MET 1 HE2 MET 1 61.345 -7.150 18.731 8 HE3 MET 1 HE3 MET 1 60.014 -8.089 18.059 9 H ASN 2 HN ASN 2 59.982 -12.944 15.191 10 HA ASN 2 HA ASN 2 58.296 -14.310 14.250 11 HB2 ASN 2 HB2 ASN 2 56.340 -14.513 15.796 12 HB3 ASN 2 HB1 ASN 2 57.890 -14.582 16.634 13 HD21 ASN 2 HD21 ASN 2 58.387 -12.895 18.130 14 HD22 ASN 2 HD22 ASN 2 57.316 -11.626 18.486 15 H LEU 3 HN LEU 3 58.370 -11.513 13.214 16 HA LEU 3 HA LEU 3 55.581 -11.459 12.162 17 HG LEU 3 HG LEU 3 55.295 -10.754 14.546 18 HB2 LEU 3 HB2 LEU 3 57.107 -9.174 13.419 19 HB3 LEU 3 HB1 LEU 3 55.810 -8.883 12.262 20 HD11 LEU 3 HD11 LEU 3 55.458 -7.738 14.703 21 HD12 LEU 3 HD12 LEU 3 56.218 -8.924 15.764 22 HD13 LEU 3 HD13 LEU 3 54.472 -8.685 15.817 23 HD21 LEU 3 HD21 LEU 3 53.711 -10.235 12.586 24 HD22 LEU 3 HD22 LEU 3 53.523 -8.637 13.310 25 HD23 LEU 3 HD23 LEU 3 53.037 -10.075 14.208 26 H GLU 4 HN GLU 4 58.046 -12.454 10.988 27 HA GLU 4 HA GLU 4 59.341 -10.633 9.266 28 HB2 GLU 4 HB2 GLU 4 59.978 -13.036 9.618 29 HB3 GLU 4 HB1 GLU 4 58.614 -13.496 8.599 30 HG2 GLU 4 HG2 GLU 4 59.560 -12.145 6.747 31 HG3 GLU 4 HG1 GLU 4 60.944 -11.743 7.764 32 HA PRO 5 HA PRO 5 55.713 -9.248 6.924 33 HB2 PRO 5 HB2 PRO 5 57.917 -8.487 5.040 34 HB3 PRO 5 HB1 PRO 5 56.532 -7.528 5.598 35 HG2 PRO 5 HG2 PRO 5 58.981 -7.142 6.576 36 HG3 PRO 5 HG1 PRO 5 57.539 -6.992 7.594 37 HD2 PRO 5 HD2 PRO 5 59.597 -9.145 7.560 38 HD3 PRO 5 HD1 PRO 5 58.559 -8.596 8.894 39 HA PRO 6 HA PRO 6 55.287 -12.550 3.973 40 HB2 PRO 6 HB2 PRO 6 53.367 -11.541 2.326 41 HB3 PRO 6 HB1 PRO 6 53.024 -12.050 3.992 42 HG2 PRO 6 HG2 PRO 6 53.450 -9.309 2.910 43 HG3 PRO 6 HG1 PRO 6 52.282 -9.879 4.114 44 HD2 PRO 6 HD2 PRO 6 54.620 -8.589 4.774 45 HD3 PRO 6 HD1 PRO 6 53.804 -9.748 5.848 46 H LYS 7 HN LYS 7 55.534 -13.065 1.620 47 HA LYS 7 HA LYS 7 57.621 -11.403 0.419 48 HB2 LYS 7 HB2 LYS 7 56.722 -13.417 -1.413 49 HB3 LYS 7 HB1 LYS 7 58.222 -13.378 -0.495 50 HG2 LYS 7 HG2 LYS 7 57.111 -15.396 0.151 51 HG3 LYS 7 HG1 LYS 7 56.883 -14.269 1.488 52 HD2 LYS 7 HD2 LYS 7 54.704 -14.996 1.222 53 HD3 LYS 7 HD1 LYS 7 54.697 -13.629 0.106 54 HE2 LYS 7 HE2 LYS 7 55.429 -15.305 -1.697 55 HE3 LYS 7 HE1 LYS 7 54.981 -16.565 -0.547 56 HZ1 LYS 7 HZ1 LYS 7 52.980 -16.312 -1.511 57 HZ2 LYS 7 HZ2 LYS 7 53.297 -14.729 -2.040 58 HZ3 LYS 7 HZ3 LYS 7 52.832 -15.013 -0.431 59 H ALA 8 HN ALA 8 54.995 -12.837 -1.432 60 HA ALA 8 HA ALA 8 53.684 -11.885 -3.139 61 HB1 ALA 8 HB1 ALA 8 52.475 -9.818 -2.423 62 HB2 ALA 8 HB2 ALA 8 53.533 -9.725 -1.015 63 HB3 ALA 8 HB3 ALA 8 52.431 -11.090 -1.202 64 H GLU 9 HN GLU 9 54.046 -8.610 -2.548 65 HA GLU 9 HA GLU 9 56.568 -8.095 -3.844 66 HB2 GLU 9 HB2 GLU 9 54.991 -9.061 -5.698 67 HB3 GLU 9 HB1 GLU 9 54.216 -7.479 -5.624 68 HG2 GLU 9 HG2 GLU 9 55.873 -7.233 -7.298 69 HG3 GLU 9 HG1 GLU 9 56.596 -6.507 -5.862 70 H1U RCY 10 H1U RCY 10 56.834 -6.529 5.129 71 H1S RCY 10 H1S RCY 10 56.816 -4.520 1.319 72 HB1 RCY 10 HB1 RCY 10 55.463 -3.418 -0.823 73 HB2 RCY 10 HB2 RCY 10 55.987 -3.853 -2.449 74 HA RCY 10 HA RCY 10 53.869 -5.164 -0.744 75 HN1 RCY 10 HN1 RCY 10 54.573 -7.193 -1.697 76 H ARG 11 HN ARG 11 51.841 -5.253 -1.980 77 HA ARG 11 HA ARG 11 51.710 -3.743 -4.502 78 HE ARG 11 HE ARG 11 46.384 -4.815 -2.497 79 HB2 ARG 11 HB2 ARG 11 49.278 -4.264 -4.376 80 HB3 ARG 11 HB1 ARG 11 50.277 -5.711 -4.235 81 HG2 ARG 11 HG2 ARG 11 50.083 -5.576 -1.759 82 HG3 ARG 11 HG1 ARG 11 49.018 -4.181 -1.938 83 HD2 ARG 11 HD2 ARG 11 48.420 -6.807 -3.302 84 HD3 ARG 11 HD1 ARG 11 47.892 -6.482 -1.651 85 HH11 ARG 11 HH21 ARG 11 48.408 -6.263 -4.884 86 HH12 ARG 11 HH22 ARG 11 47.484 -5.665 -6.221 87 HH21 ARG 11 HH11 ARG 11 45.166 -4.026 -4.231 88 HH22 ARG 11 HH12 ARG 11 45.649 -4.399 -5.852 89 H SER 12 HN SER 12 52.413 -2.491 -1.789 90 HA SER 12 HA SER 12 50.404 -0.868 -0.750 91 HG SER 12 HG SER 12 52.391 1.418 0.443 92 HB2 SER 12 HB2 SER 12 52.503 -0.653 0.290 93 HB3 SER 12 HB1 SER 12 53.335 -0.374 -1.237 94 H ALA 13 HN ALA 13 52.652 0.292 -3.291 95 HA ALA 13 HA ALA 13 50.536 1.247 -4.999 96 HB1 ALA 13 HB1 ALA 13 52.033 3.434 -3.540 97 HB2 ALA 13 HB2 ALA 13 50.451 2.862 -3.010 98 HB3 ALA 13 HB3 ALA 13 50.634 3.598 -4.602 99 H THR 14 HN THR 14 51.995 0.119 -6.457 100 HA THR 14 HA THR 14 53.832 -0.044 -7.919 101 HB THR 14 HB THR 14 54.546 2.283 -8.792 102 HG1 THR 14 HG1 THR 14 53.515 3.978 -7.997 103 HG21 THR 14 HG21 THR 14 52.269 2.598 -9.885 104 HG22 THR 14 HG22 THR 14 51.693 1.280 -8.864 105 HG23 THR 14 HG23 THR 14 52.970 0.987 -10.045 106 H ARG 15 HN ARG 15 54.258 0.620 -4.852 107 HA ARG 15 HA ARG 15 56.093 1.027 -3.447 108 HE ARG 15 HE ARG 15 59.563 1.766 -4.880 109 HB2 ARG 15 HB2 ARG 15 56.665 -1.062 -5.045 110 HB3 ARG 15 HB1 ARG 15 57.953 0.023 -5.561 111 HG2 ARG 15 HG2 ARG 15 57.373 -0.716 -2.676 112 HG3 ARG 15 HG1 ARG 15 58.649 -1.433 -3.660 113 HD2 ARG 15 HD2 ARG 15 58.394 1.474 -2.846 114 HD3 ARG 15 HD1 ARG 15 59.641 0.335 -2.339 115 HH11 ARG 15 HH21 ARG 15 60.597 -1.037 -3.159 116 HH12 ARG 15 HH22 ARG 15 61.931 -1.357 -4.216 117 HH21 ARG 15 HH11 ARG 15 61.299 1.364 -6.270 118 HH22 ARG 15 HH12 ARG 15 62.328 0.002 -5.978 119 H VAL 16 HN VAL 16 55.802 3.356 -3.763 120 HA VAL 16 HA VAL 16 58.287 4.592 -4.675 121 HB VAL 16 HB VAL 16 56.916 6.238 -6.141 122 HG11 VAL 16 HG11 VAL 16 58.531 4.306 -6.838 123 HG12 VAL 16 HG12 VAL 16 57.462 4.999 -8.058 124 HG13 VAL 16 HG13 VAL 16 57.052 3.461 -7.297 125 HG21 VAL 16 HG21 VAL 16 55.085 3.839 -6.351 126 HG22 VAL 16 HG22 VAL 16 54.848 5.448 -7.032 127 HG23 VAL 16 HG23 VAL 16 54.727 5.201 -5.290 128 H MET 17 HN MET 17 57.184 4.449 -2.132 129 HA MET 17 HA MET 17 55.460 6.598 -1.415 130 HB2 MET 17 HB2 MET 17 56.652 6.353 0.865 131 HB3 MET 17 HB1 MET 17 55.809 4.937 0.237 132 HG2 MET 17 HG2 MET 17 57.838 3.921 -0.488 133 HG3 MET 17 HG1 MET 17 58.745 5.421 -0.293 134 HE1 MET 17 HE1 MET 17 56.620 2.794 1.226 135 HE2 MET 17 HE2 MET 17 56.041 3.983 2.390 136 HE3 MET 17 HE3 MET 17 57.069 2.658 2.931 137 H GLY 18 HN GLY 18 58.194 7.131 0.437 138 HA2 GLY 18 HA2 GLY 18 58.543 9.799 -0.696 139 HA3 GLY 18 HA1 GLY 18 59.410 9.143 0.693 140 H GLY 19 HN GLY 19 60.524 10.602 -1.611 141 HA2 GLY 19 HA2 GLY 19 62.531 10.459 -2.830 142 HA3 GLY 19 HA1 GLY 19 62.776 8.857 -2.135 143 HA PRO 20 HA PRO 20 59.635 8.493 -5.990 144 HB2 PRO 20 HB2 PRO 20 60.952 10.759 -7.448 145 HB3 PRO 20 HB1 PRO 20 59.263 10.215 -7.499 146 HG2 PRO 20 HG2 PRO 20 59.988 12.380 -6.130 147 HG3 PRO 20 HG1 PRO 20 58.719 11.292 -5.544 148 HD2 PRO 20 HD2 PRO 20 61.502 11.643 -4.541 149 HD3 PRO 20 HD1 PRO 20 60.045 11.122 -3.668 150 H1U RCY 21 H1U RCY 21 64.708 1.695 -4.166 151 H1S RCY 21 H1S RCY 21 63.655 2.059 -7.620 152 HB1 RCY 21 HB1 RCY 21 62.104 4.368 -6.594 153 HB2 RCY 21 HB2 RCY 21 63.267 5.214 -5.573 154 HA RCY 21 HA RCY 21 63.649 6.843 -7.427 155 HN1 RCY 21 HN1 RCY 21 61.081 6.630 -6.033 156 H THR 22 HN THR 22 63.386 7.341 -9.589 157 HA THR 22 HA THR 22 61.258 6.602 -11.271 158 HB THR 22 HB THR 22 62.540 7.961 -12.562 159 HG1 THR 22 HG1 THR 22 64.248 5.716 -12.818 160 HG21 THR 22 HG21 THR 22 63.994 8.561 -10.749 161 HG22 THR 22 HG22 THR 22 65.029 8.198 -12.129 162 HG23 THR 22 HG23 THR 22 64.838 7.015 -10.835 163 HA PRO 23 HA PRO 23 61.616 2.282 -12.004 164 HB2 PRO 23 HB2 PRO 23 61.293 2.108 -14.748 165 HB3 PRO 23 HB1 PRO 23 59.966 2.371 -13.602 166 HG2 PRO 23 HG2 PRO 23 61.417 4.341 -15.292 167 HG3 PRO 23 HG1 PRO 23 59.694 4.248 -14.887 168 HD2 PRO 23 HD2 PRO 23 61.372 6.010 -13.669 169 HD3 PRO 23 HD1 PRO 23 59.981 5.289 -12.827 170 H ARG 24 HN ARG 24 64.075 2.852 -11.482 171 HA ARG 24 HA ARG 24 66.331 2.410 -11.931 172 HE ARG 24 HE ARG 24 68.299 -0.492 -11.975 173 HB2 ARG 24 HB2 ARG 24 65.147 0.577 -14.041 174 HB3 ARG 24 HB1 ARG 24 66.780 0.487 -13.386 175 HG2 ARG 24 HG2 ARG 24 64.427 0.387 -11.518 176 HG3 ARG 24 HG1 ARG 24 64.911 -1.067 -12.391 177 HD2 ARG 24 HD2 ARG 24 66.707 0.606 -10.609 178 HD3 ARG 24 HD1 ARG 24 66.026 -0.969 -10.199 179 HH11 ARG 24 HH21 ARG 24 65.684 -2.549 -11.070 180 HH12 ARG 24 HH22 ARG 24 66.422 -3.985 -11.696 181 HH21 ARG 24 HH11 ARG 24 69.278 -2.355 -12.798 182 HH22 ARG 24 HH12 ARG 24 68.457 -3.875 -12.675 183 H LYS 25 HN LYS 25 68.044 2.691 -13.611 184 HA LYS 25 HA LYS 25 67.194 4.762 -15.563 185 HB2 LYS 25 HB2 LYS 25 69.373 4.571 -13.837 186 HB3 LYS 25 HB1 LYS 25 70.069 4.168 -15.404 187 HG2 LYS 25 HG2 LYS 25 70.241 6.510 -15.360 188 HG3 LYS 25 HG1 LYS 25 68.744 6.255 -16.256 189 HD2 LYS 25 HD2 LYS 25 67.415 6.658 -14.271 190 HD3 LYS 25 HD1 LYS 25 68.862 6.728 -13.265 191 HE2 LYS 25 HE2 LYS 25 68.057 8.998 -13.785 192 HE3 LYS 25 HE1 LYS 25 69.635 8.713 -14.518 193 HZ1 LYS 25 HZ1 LYS 25 67.917 7.847 -16.416 194 HZ2 LYS 25 HZ2 LYS 25 68.656 9.377 -16.391 195 HZ3 LYS 25 HZ3 LYS 25 67.088 9.179 -15.769 196 H GLY 26 HN GLY 26 69.434 4.380 -17.341 197 HA2 GLY 26 HA2 GLY 26 69.042 1.650 -18.436 198 HA3 GLY 26 HA1 GLY 26 68.607 3.012 -19.469 199 HA PRO 27 HA PRO 27 72.681 3.865 -20.886 200 HB2 PRO 27 HB2 PRO 27 72.892 6.282 -19.135 201 HB3 PRO 27 HB1 PRO 27 73.139 6.136 -20.885 202 HG2 PRO 27 HG2 PRO 27 70.931 7.229 -19.861 203 HG3 PRO 27 HG1 PRO 27 70.902 6.272 -21.351 204 HD2 PRO 27 HD2 PRO 27 69.908 5.551 -18.639 205 HD3 PRO 27 HD1 PRO 27 69.361 4.982 -20.231 206 HA PRO 28 HA PRO 28 75.815 2.141 -18.281 207 HB2 PRO 28 HB2 PRO 28 77.372 4.665 -18.755 208 HB3 PRO 28 HB1 PRO 28 77.906 2.976 -18.871 209 HG2 PRO 28 HG2 PRO 28 77.315 4.430 -21.039 210 HG3 PRO 28 HG1 PRO 28 76.996 2.691 -20.954 211 HD2 PRO 28 HD2 PRO 28 75.072 4.936 -20.942 212 HD3 PRO 28 HD1 PRO 28 74.803 3.225 -21.337 213 H LYS 29 HN LYS 29 76.638 2.336 -16.106 214 HA LYS 29 HA LYS 29 75.924 4.840 -14.650 215 HB2 LYS 29 HB2 LYS 29 74.293 2.670 -14.509 216 HB3 LYS 29 HB1 LYS 29 75.422 2.283 -13.212 217 HG2 LYS 29 HG2 LYS 29 75.032 4.528 -12.226 218 HG3 LYS 29 HG1 LYS 29 73.860 4.869 -13.499 219 HD2 LYS 29 HD2 LYS 29 72.353 3.227 -12.715 220 HD3 LYS 29 HD1 LYS 29 73.591 2.430 -11.744 221 HE2 LYS 29 HE2 LYS 29 71.824 4.013 -10.586 222 HE3 LYS 29 HE1 LYS 29 73.510 4.044 -10.069 223 HZ1 LYS 29 HZ1 LYS 29 72.722 5.795 -12.274 224 HZ2 LYS 29 HZ2 LYS 29 73.879 6.039 -11.054 225 HZ3 LYS 29 HZ3 LYS 29 72.226 6.229 -10.711 226 H1U RCY 30 H1U RCY 30 75.902 5.551 -13.961 227 H1S RCY 30 H1S RCY 30 80.041 3.426 -14.306 228 HB1 RCY 30 HB1 RCY 30 78.134 1.511 -11.559 229 HB2 RCY 30 HB2 RCY 30 79.691 1.888 -10.824 230 HA RCY 30 HA RCY 30 78.647 3.978 -10.829 231 HN1 RCY 30 HN1 RCY 30 76.669 3.988 -12.105 232 H LYS 31 HN LYS 31 81.267 3.429 -11.354 233 HA LYS 31 HA LYS 31 83.158 4.575 -12.169 234 HB2 LYS 31 HB2 LYS 31 81.575 3.856 -14.639 235 HB3 LYS 31 HB1 LYS 31 83.133 4.673 -14.757 236 HG2 LYS 31 HG2 LYS 31 82.903 2.231 -13.030 237 HG3 LYS 31 HG1 LYS 31 83.023 2.034 -14.779 238 HD2 LYS 31 HD2 LYS 31 84.942 3.881 -13.406 239 HD3 LYS 31 HD1 LYS 31 85.211 2.142 -13.291 240 HE2 LYS 31 HE2 LYS 31 85.394 1.906 -15.649 241 HE3 LYS 31 HE1 LYS 31 84.710 3.505 -15.940 242 HZ1 LYS 31 HZ1 LYS 31 87.406 2.784 -15.503 243 HZ2 LYS 31 HZ2 LYS 31 86.907 3.875 -14.300 244 HZ3 LYS 31 HZ3 LYS 31 86.764 4.292 -15.941 245 H GLN 32 HN GLN 32 81.565 6.425 -11.060 246 HA GLN 32 HA GLN 32 81.880 8.732 -12.889 247 HB2 GLN 32 HB2 GLN 32 79.555 9.535 -12.161 248 HB3 GLN 32 HB1 GLN 32 79.594 8.221 -13.338 249 HG2 GLN 32 HG2 GLN 32 79.219 6.575 -11.587 250 HG3 GLN 32 HG1 GLN 32 79.326 7.822 -10.344 251 HE21 GLN 32 HE21 GLN 32 77.203 8.009 -9.562 252 HE22 GLN 32 HE22 GLN 32 75.839 8.254 -10.542 253 H ARG 33 HN ARG 33 83.633 8.630 -11.031 254 HA ARG 33 HA ARG 33 83.036 9.210 -8.345 255 HE ARG 33 HE ARG 33 86.863 8.105 -8.353 256 HB2 ARG 33 HB2 ARG 33 85.334 8.825 -9.445 257 HB3 ARG 33 HB1 ARG 33 85.305 10.546 -9.828 258 HG2 ARG 33 HG2 ARG 33 85.004 11.077 -7.438 259 HG3 ARG 33 HG1 ARG 33 85.034 9.356 -7.051 260 HD2 ARG 33 HD2 ARG 33 87.288 10.954 -8.299 261 HD3 ARG 33 HD1 ARG 33 87.248 10.308 -6.659 262 HH11 ARG 33 HH21 ARG 33 89.194 10.584 -7.800 263 HH12 ARG 33 HH22 ARG 33 90.542 9.610 -8.285 264 HH21 ARG 33 HH11 ARG 33 88.610 6.818 -8.990 265 HH22 ARG 33 HH12 ARG 33 90.211 7.478 -8.959 266 H GLN 34 HN GLN 34 83.113 11.326 -7.224 267 HA GLN 34 HA GLN 34 82.589 13.731 -8.823 268 HB2 GLN 34 HB2 GLN 34 80.412 13.910 -7.163 269 HB3 GLN 34 HB1 GLN 34 80.335 13.359 -8.834 270 HG2 GLN 34 HG2 GLN 34 79.223 11.802 -7.196 271 HG3 GLN 34 HG1 GLN 34 80.500 11.044 -8.148 272 HE21 GLN 34 HE21 GLN 34 82.136 10.009 -6.977 273 HE22 GLN 34 HE22 GLN 34 82.412 10.218 -5.315 274 H THR 35 HN THR 35 81.310 13.353 -5.585 275 HA THR 35 HA THR 35 83.714 14.126 -4.185 276 HB THR 35 HB THR 35 83.531 16.291 -5.085 277 HG1 THR 35 HG1 THR 35 81.787 16.668 -2.931 278 HG21 THR 35 HG21 THR 35 80.551 15.862 -4.839 279 HG22 THR 35 HG22 THR 35 81.492 16.135 -6.305 280 HG23 THR 35 HG23 THR 35 81.250 17.450 -5.156 281 H ARG 36 HN ARG 36 80.254 13.718 -4.334 282 HA ARG 36 HA ARG 36 79.817 13.992 -1.470 283 HE ARG 36 HE ARG 36 79.533 16.578 -0.985 284 HB2 ARG 36 HB2 ARG 36 78.216 13.504 -3.851 285 HB3 ARG 36 HB1 ARG 36 77.746 12.408 -2.553 286 HG2 ARG 36 HG2 ARG 36 76.458 14.492 -2.402 287 HG3 ARG 36 HG1 ARG 36 77.536 14.345 -1.014 288 HD2 ARG 36 HD2 ARG 36 79.003 15.639 -3.079 289 HD3 ARG 36 HD1 ARG 36 77.434 16.438 -2.977 290 HH11 ARG 36 HH21 ARG 36 76.130 16.495 -1.535 291 HH12 ARG 36 HH22 ARG 36 75.741 17.367 -0.090 292 HH21 ARG 36 HH11 ARG 36 79.045 17.717 0.905 293 HH22 ARG 36 HH12 ARG 36 77.391 18.059 1.292 294 H GLN 37 HN GLN 37 81.864 12.011 -2.638 295 HA GLN 37 HA GLN 37 80.822 9.394 -1.855 296 HB2 GLN 37 HB2 GLN 37 82.574 9.709 -3.624 297 HB3 GLN 37 HB1 GLN 37 83.694 10.227 -2.365 298 HG2 GLN 37 HG2 GLN 37 82.238 7.598 -2.137 299 HG3 GLN 37 HG1 GLN 37 83.725 7.725 -3.077 300 HE21 GLN 37 HE21 GLN 37 85.157 9.598 -1.475 301 HE22 GLN 37 HE22 GLN 37 85.490 8.885 0.029 302 H1U RCY 38 H1U RCY 38 85.837 3.859 2.283 303 H1S RCY 38 H1S RCY 38 83.486 6.505 4.490 304 HB1 RCY 38 HB1 RCY 38 83.368 8.887 2.525 305 HB2 RCY 38 HB2 RCY 38 82.249 7.884 1.604 306 HA RCY 38 HA RCY 38 80.575 9.807 2.672 307 HN1 RCY 38 HN1 RCY 38 80.227 9.641 0.351 308 H LYS 39 HN LYS 39 82.557 10.513 4.306 309 HA LYS 39 HA LYS 39 83.259 13.251 3.379 310 HB2 LYS 39 HB2 LYS 39 82.063 12.821 5.596 311 HB3 LYS 39 HB1 LYS 39 83.576 12.117 6.167 312 HG2 LYS 39 HG2 LYS 39 83.848 14.325 6.844 313 HG3 LYS 39 HG1 LYS 39 84.609 14.373 5.253 314 HD2 LYS 39 HD2 LYS 39 83.183 16.179 5.043 315 HD3 LYS 39 HD1 LYS 39 82.111 14.897 4.478 316 HE2 LYS 39 HE2 LYS 39 80.891 16.203 6.103 317 HE3 LYS 39 HE1 LYS 39 81.285 14.654 6.849 318 HZ1 LYS 39 HZ1 LYS 39 81.869 17.119 7.858 319 HZ2 LYS 39 HZ2 LYS 39 83.351 16.594 7.214 320 HZ3 LYS 39 HZ3 LYS 39 82.541 15.647 8.369 321 H SER 40 HN SER 40 84.830 11.472 2.098 322 HA SER 40 HA SER 40 87.065 10.889 1.711 323 HG SER 40 HG SER 40 87.121 13.451 4.468 324 HB2 SER 40 HB2 SER 40 88.693 12.454 2.384 325 HB3 SER 40 HB1 SER 40 87.215 13.408 2.311 326 H LYS 41 HN LYS 41 87.268 11.685 5.191 327 HA LYS 41 HA LYS 41 88.909 9.586 5.964 328 HB2 LYS 41 HB2 LYS 41 86.599 10.825 7.478 329 HB3 LYS 41 HB1 LYS 41 87.796 9.760 8.215 330 HG2 LYS 41 HG2 LYS 41 89.577 11.353 7.326 331 HG3 LYS 41 HG1 LYS 41 88.263 12.467 6.948 332 HD2 LYS 41 HD2 LYS 41 87.531 12.210 9.385 333 HD3 LYS 41 HD1 LYS 41 89.085 11.423 9.664 334 HE2 LYS 41 HE2 LYS 41 88.569 14.260 8.761 335 HE3 LYS 41 HE1 LYS 41 89.458 13.713 10.183 336 HZ1 LYS 41 HZ1 LYS 41 91.214 12.931 8.857 337 HZ2 LYS 41 HZ2 LYS 41 90.833 14.465 8.234 338 HZ3 LYS 41 HZ3 LYS 41 90.315 13.064 7.424 339 HA PRO 42 HA PRO 42 86.055 6.193 5.043 340 HB2 PRO 42 HB2 PRO 42 87.847 4.163 5.263 341 HB3 PRO 42 HB1 PRO 42 87.809 5.245 3.857 342 HG2 PRO 42 HG2 PRO 42 89.650 5.251 6.190 343 HG3 PRO 42 HG1 PRO 42 89.987 5.581 4.484 344 HD2 PRO 42 HD2 PRO 42 89.653 7.543 6.419 345 HD3 PRO 42 HD1 PRO 42 89.425 7.803 4.676 346 HA PRO 43 HA PRO 43 84.848 4.718 9.035 347 HB2 PRO 43 HB2 PRO 43 84.159 2.089 8.475 348 HB3 PRO 43 HB1 PRO 43 83.129 3.492 8.136 349 HG2 PRO 43 HG2 PRO 43 84.884 1.952 6.300 350 HG3 PRO 43 HG1 PRO 43 83.293 2.672 6.006 351 HD2 PRO 43 HD2 PRO 43 85.589 3.828 5.115 352 HD3 PRO 43 HD1 PRO 43 84.172 4.786 5.600 353 H LYS 44 HN LYS 44 86.143 4.165 10.733 354 HA LYS 44 HA LYS 44 88.664 2.861 10.412 355 HB2 LYS 44 HB2 LYS 44 87.083 3.005 12.988 356 HB3 LYS 44 HB1 LYS 44 88.836 2.946 12.798 357 HG2 LYS 44 HG2 LYS 44 88.627 5.144 11.507 358 HG3 LYS 44 HG1 LYS 44 86.971 5.223 12.108 359 HD2 LYS 44 HD2 LYS 44 89.285 4.788 13.992 360 HD3 LYS 44 HD1 LYS 44 88.810 6.412 13.493 361 HE2 LYS 44 HE2 LYS 44 87.004 4.367 14.818 362 HE3 LYS 44 HE1 LYS 44 87.684 5.798 15.592 363 HZ1 LYS 44 HZ1 LYS 44 86.100 7.061 14.724 364 HZ2 LYS 44 HZ2 LYS 44 85.316 5.644 14.211 365 HZ3 LYS 44 HZ3 LYS 44 86.370 6.462 13.160 366 H LYS 45 HN LYS 45 87.865 1.180 12.980 367 HA LYS 45 HA LYS 45 87.521 -1.116 13.338 368 HB2 LYS 45 HB2 LYS 45 85.401 -0.654 11.217 369 HB3 LYS 45 HB1 LYS 45 85.469 -2.028 12.320 370 HG2 LYS 45 HG2 LYS 45 85.271 -0.497 14.246 371 HG3 LYS 45 HG1 LYS 45 85.199 0.878 13.144 372 HD2 LYS 45 HD2 LYS 45 83.266 -1.370 12.735 373 HD3 LYS 45 HD1 LYS 45 82.972 -0.243 14.059 374 HE2 LYS 45 HE2 LYS 45 82.851 1.621 12.587 375 HE3 LYS 45 HE1 LYS 45 83.557 0.710 11.252 376 HZ1 LYS 45 HZ1 LYS 45 81.579 -0.092 10.689 377 HZ2 LYS 45 HZ2 LYS 45 80.894 1.048 11.746 378 HZ3 LYS 45 HZ3 LYS 45 81.203 -0.535 12.282 379 H GLY 46 HN GLY 46 86.489 -1.334 9.974 380 HA2 GLY 46 HA2 GLY 46 87.495 -2.378 8.126 381 HA3 GLY 46 HA1 GLY 46 89.052 -2.126 8.915 382 H VAL 47 HN VAL 47 89.870 -3.760 10.299 383 HA VAL 47 HA VAL 47 90.340 -6.070 10.575 384 HB VAL 47 HB VAL 47 88.685 -7.097 12.106 385 HG11 VAL 47 HG11 VAL 47 88.860 -5.435 13.867 386 HG12 VAL 47 HG12 VAL 47 89.081 -4.147 12.684 387 HG13 VAL 47 HG13 VAL 47 90.332 -5.372 12.897 388 HG21 VAL 47 HG21 VAL 47 86.598 -5.994 12.602 389 HG22 VAL 47 HG22 VAL 47 86.693 -6.156 10.848 390 HG23 VAL 47 HG23 VAL 47 87.035 -4.603 11.610 391 H GLN 48 HN GLN 48 88.045 -8.044 10.770 392 HA GLN 48 HA GLN 48 88.193 -9.037 8.088 393 HB2 GLN 48 HB2 GLN 48 86.288 -10.547 8.866 394 HB3 GLN 48 HB1 GLN 48 87.758 -10.612 9.838 395 HG2 GLN 48 HG2 GLN 48 86.798 -9.118 11.492 396 HG3 GLN 48 HG1 GLN 48 85.370 -8.862 10.488 397 HE21 GLN 48 HE21 GLN 48 87.194 -11.683 11.838 398 HE22 GLN 48 HE22 GLN 48 85.803 -12.550 12.278 399 H GLY 49 HN GLY 49 86.661 -6.334 9.087 400 HA2 GLY 49 HA2 GLY 49 84.140 -6.692 7.617 401 HA3 GLY 49 HA1 GLY 49 84.668 -5.215 8.423 402 H1U RCY 50 H1U RCY 50 86.184 -1.108 -1.175 403 H1S RCY 50 H1S RCY 50 85.730 -5.066 -0.053 404 HB1 RCY 50 HB1 RCY 50 85.306 -4.688 3.585 405 HB2 RCY 50 HB2 RCY 50 85.292 -6.442 3.749 406 HA RCY 50 HA RCY 50 87.861 -6.097 4.283 407 HN1 RCY 50 HN1 RCY 50 86.965 -6.743 6.353 408 H GLY 51 HN GLY 51 89.388 -4.543 4.672 409 HA2 GLY 51 HA2 GLY 51 88.674 -1.901 5.680 410 HA3 GLY 51 HA1 GLY 51 90.291 -2.427 5.211 411 H ASP 52 HN ASP 52 91.035 -1.158 3.587 412 HA ASP 52 HA ASP 52 89.388 -0.820 1.166 413 HB2 ASP 52 HB2 ASP 52 90.540 1.652 2.467 414 HB3 ASP 52 HB1 ASP 52 89.354 1.550 1.164 415 H ASP 53 HN ASP 53 90.838 -1.551 -0.317 416 HA ASP 53 HA ASP 53 93.716 -0.853 0.009 417 HB2 ASP 53 HB2 ASP 53 93.004 -3.249 -0.389 418 HB3 ASP 53 HB1 ASP 53 92.459 -2.751 -1.991 419 H ILE 54 HN ILE 54 90.920 -0.034 -1.825 420 HA ILE 54 HA ILE 54 92.553 1.828 -3.447 421 HB ILE 54 HB ILE 54 90.863 0.998 -5.402 422 HG12 ILE 54 HG12 ILE 54 90.850 -1.499 -5.351 423 HG13 ILE 54 HG11 ILE 54 91.492 -1.442 -3.709 424 HG21 ILE 54 HG21 ILE 54 93.547 -0.208 -4.665 425 HG22 ILE 54 HG22 ILE 54 93.277 1.225 -5.657 426 HG23 ILE 54 HG23 ILE 54 92.785 -0.363 -6.248 427 HD11 ILE 54 HD11 ILE 54 88.887 -0.162 -4.585 428 HD12 ILE 54 HD12 ILE 54 89.519 -0.225 -2.940 429 HD13 ILE 54 HD13 ILE 54 89.014 -1.709 -3.748 430 HA PRO 55 HA PRO 55 88.536 3.605 -2.027 431 HB2 PRO 55 HB2 PRO 55 89.527 5.718 -0.659 432 HB3 PRO 55 HB1 PRO 55 89.454 4.092 0.049 433 HG2 PRO 55 HG2 PRO 55 91.777 5.559 -1.072 434 HG3 PRO 55 HG1 PRO 55 91.697 4.445 0.301 435 HD2 PRO 55 HD2 PRO 55 92.588 3.778 -2.269 436 HD3 PRO 55 HD1 PRO 55 92.087 2.617 -1.021 437 H GLY 56 HN GLY 56 87.975 4.280 -4.168 438 HA2 GLY 56 HA2 GLY 56 87.733 6.888 -4.860 439 HA3 GLY 56 HA1 GLY 56 89.392 6.568 -5.367 440 H MET 57 HN MET 57 89.462 4.259 -6.591 441 HA MET 57 HA MET 57 88.246 4.603 -9.095 442 HB2 MET 57 HB2 MET 57 90.102 2.945 -8.390 443 HB3 MET 57 HB1 MET 57 88.783 1.861 -7.949 444 HG2 MET 57 HG2 MET 57 89.307 1.290 -10.194 445 HG3 MET 57 HG1 MET 57 87.860 2.292 -10.311 446 HE1 MET 57 HE1 MET 57 88.321 3.009 -12.929 447 HE2 MET 57 HE2 MET 57 89.409 1.655 -12.636 448 HE3 MET 57 HE3 MET 57 90.005 3.094 -13.460 449 H GLU 58 HN GLU 58 87.039 2.871 -6.247 450 HA GLU 58 HA GLU 58 84.530 2.207 -7.695 451 HB2 GLU 58 HB2 GLU 58 85.810 1.330 -5.125 452 HB3 GLU 58 HB1 GLU 58 84.060 1.182 -5.290 453 HG2 GLU 58 HG2 GLU 58 85.368 -0.865 -6.016 454 HG3 GLU 58 HG1 GLU 58 84.283 -0.210 -7.243 455 H GLY 59 HN GLY 59 85.607 4.924 -6.428 456 HA2 GLY 59 HA2 GLY 59 83.931 5.772 -4.360 457 HA3 GLY 59 HA1 GLY 59 84.482 6.840 -5.652 458 H1U RCY 60 H1U RCY 60 75.688 4.250 -10.720 459 H1S RCY 60 H1S RCY 60 79.154 5.366 -7.921 460 HB1 RCY 60 HB1 RCY 60 78.445 5.393 -5.650 461 HB2 RCY 60 HB2 RCY 60 79.637 5.027 -4.402 462 HA RCY 60 HA RCY 60 80.231 6.755 -6.820 463 HN1 RCY 60 HN1 RCY 60 81.854 6.861 -4.368 464 H GLY 61 HN GLY 61 78.698 8.365 -6.766 465 HA2 GLY 61 HA2 GLY 61 78.640 10.106 -4.403 466 HA3 GLY 61 HA1 GLY 61 77.825 10.415 -5.938 467 H THR 62 HN THR 62 77.407 9.309 -2.737 468 HA THR 62 HA THR 62 74.529 8.964 -3.192 469 HB THR 62 HB THR 62 75.143 6.718 -3.714 470 HG1 THR 62 HG1 THR 62 73.852 5.879 -2.292 471 HG21 THR 62 HG21 THR 62 77.023 6.973 -1.359 472 HG22 THR 62 HG22 THR 62 77.442 6.680 -3.047 473 HG23 THR 62 HG23 THR 62 76.632 5.426 -2.109 474 H ASP 63 HN ASP 63 75.371 10.953 -1.725 475 HA ASP 63 HA ASP 63 76.058 10.383 1.008 476 HB2 ASP 63 HB2 ASP 63 75.197 12.727 1.419 477 HB3 ASP 63 HB1 ASP 63 76.416 12.618 0.149 478 H ILE 64 HN ILE 64 74.410 8.518 1.041 479 HA ILE 64 HA ILE 64 72.381 7.630 1.797 480 HB ILE 64 HB ILE 64 72.192 10.296 3.221 481 HG12 ILE 64 HG12 ILE 64 73.398 7.658 4.118 482 HG13 ILE 64 HG11 ILE 64 74.316 9.099 3.680 483 HG21 ILE 64 HG21 ILE 64 70.081 9.049 3.209 484 HG22 ILE 64 HG22 ILE 64 70.799 8.996 4.819 485 HG23 ILE 64 HG23 ILE 64 70.917 7.595 3.755 486 HD11 ILE 64 HD11 ILE 64 74.151 9.170 6.053 487 HD12 ILE 64 HD12 ILE 64 72.445 8.724 6.023 488 HD13 ILE 64 HD13 ILE 64 72.949 10.323 5.474 489 H THR 65 HN THR 65 71.173 7.588 -0.138 490 HA THR 65 HA THR 65 70.039 9.736 -1.493 491 HB THR 65 HB THR 65 68.164 8.128 -2.099 492 HG1 THR 65 HG1 THR 65 68.557 7.060 0.073 493 HG21 THR 65 HG21 THR 65 70.240 8.226 -3.403 494 HG22 THR 65 HG22 THR 65 69.677 6.559 -3.278 495 HG23 THR 65 HG23 THR 65 71.016 7.115 -2.275 496 H VAL 66 HN VAL 66 68.742 8.041 1.353 497 HA VAL 66 HA VAL 66 67.468 10.456 2.306 498 HB VAL 66 HB VAL 66 65.121 9.239 2.252 499 HG11 VAL 66 HG11 VAL 66 64.532 10.704 0.574 500 HG12 VAL 66 HG12 VAL 66 65.905 10.261 -0.439 501 HG13 VAL 66 HG13 VAL 66 66.136 11.341 0.935 502 HG21 VAL 66 HG21 VAL 66 66.293 8.163 -0.313 503 HG22 VAL 66 HG22 VAL 66 64.775 7.724 0.469 504 HG23 VAL 66 HG23 VAL 66 66.309 7.202 1.165 505 H ILE 67 HN ILE 67 67.395 6.887 2.463 506 HA ILE 67 HA ILE 67 67.678 7.124 5.424 507 HB ILE 67 HB ILE 67 65.751 5.272 3.987 508 HG12 ILE 67 HG12 ILE 67 64.364 6.731 5.879 509 HG13 ILE 67 HG11 ILE 67 65.515 7.914 5.258 510 HG21 ILE 67 HG21 ILE 67 66.634 4.085 5.863 511 HG22 ILE 67 HG22 ILE 67 65.090 4.747 6.402 512 HG23 ILE 67 HG23 ILE 67 66.598 5.526 6.880 513 HD11 ILE 67 HD11 ILE 67 63.392 6.387 3.763 514 HD12 ILE 67 HD12 ILE 67 64.792 7.040 2.912 515 HD13 ILE 67 HD13 ILE 67 63.702 8.124 3.776 516 H1U RCY 68 H1U RCY 68 74.623 0.810 0.871 517 H1S RCY 68 H1S RCY 68 73.122 5.095 0.996 518 HB1 RCY 68 HB1 RCY 68 72.697 4.319 4.582 519 HB2 RCY 68 HB2 RCY 68 72.117 5.948 4.919 520 HA RCY 68 HA RCY 68 70.248 3.609 4.466 521 HN1 RCY 68 HN1 RCY 68 69.700 6.284 5.696 522 HA PRO 69 HA PRO 69 70.831 1.703 8.400 523 HB2 PRO 69 HB2 PRO 69 73.728 1.492 7.607 524 HB3 PRO 69 HB1 PRO 69 72.681 0.271 8.361 525 HG2 PRO 69 HG2 PRO 69 73.201 0.234 5.747 526 HG3 PRO 69 HG1 PRO 69 71.607 -0.214 6.377 527 HD2 PRO 69 HD2 PRO 69 72.397 2.201 4.851 528 HD3 PRO 69 HD1 PRO 69 70.788 1.473 5.054 529 H TRP 70 HN TRP 70 72.939 4.326 7.422 530 HA TRP 70 HA TRP 70 74.216 4.849 9.916 531 HD1 TRP 70 HD1 TRP 70 75.252 3.788 8.144 532 HE1 TRP 70 HE1 TRP 70 77.654 3.804 7.214 533 HE3 TRP 70 HE3 TRP 70 75.931 8.813 7.542 534 HZ2 TRP 70 HZ2 TRP 70 79.611 5.700 6.329 535 HZ3 TRP 70 HZ3 TRP 70 78.068 9.695 6.656 536 HH2 TRP 70 HH2 TRP 70 79.907 8.150 6.049 537 HB2 TRP 70 HB2 TRP 70 73.448 6.593 7.573 538 HB3 TRP 70 HB1 TRP 70 74.203 7.285 9.008 539 H GLU 71 HN GLU 71 70.970 4.774 9.227 540 HA GLU 71 HA GLU 71 70.345 6.309 11.685 541 HB2 GLU 71 HB2 GLU 71 69.127 6.853 8.962 542 HB3 GLU 71 HB1 GLU 71 68.421 7.420 10.476 543 HG2 GLU 71 HG2 GLU 71 70.578 8.576 10.995 544 HG3 GLU 71 HG1 GLU 71 71.175 8.101 9.405 545 H ALA 72 HN ALA 72 69.203 4.203 9.060 546 HA ALA 72 HA ALA 72 66.853 3.332 10.550 547 HB1 ALA 72 HB1 ALA 72 68.210 2.139 8.111 548 HB2 ALA 72 HB2 ALA 72 66.868 3.283 8.090 549 HB3 ALA 72 HB3 ALA 72 66.631 1.658 8.733 550 H1U RCY 73 H1U RCY 73 70.999 2.127 4.538 551 H1S RCY 73 H1S RCY 73 68.337 -0.841 6.726 552 HB1 RCY 73 HB1 RCY 73 70.416 -2.173 10.388 553 HB2 RCY 73 HB2 RCY 73 70.899 -0.900 9.269 554 HA RCY 73 HA RCY 73 68.923 -0.664 11.556 555 HN1 RCY 73 HN1 RCY 73 69.108 0.992 9.184 556 H ASN 74 HN ASN 74 72.078 -0.045 10.131 557 HA ASN 74 HA ASN 74 73.178 1.808 11.909 558 HB2 ASN 74 HB2 ASN 74 72.724 -0.847 13.131 559 HB3 ASN 74 HB1 ASN 74 74.366 -0.237 13.325 560 HD21 ASN 74 HD21 ASN 74 74.094 2.453 13.705 561 HD22 ASN 74 HD22 ASN 74 73.091 2.794 15.031 562 H HIS 75 HN HIS 75 74.652 -1.386 11.759 563 HA HIS 75 HA HIS 75 75.960 -1.218 9.263 564 HD1 HIS 75 HD1 HIS 75 76.149 2.188 11.619 565 HD2 HIS 75 HD2 HIS 75 78.405 -0.962 13.164 566 HE1 HIS 75 HE1 HIS 75 76.386 2.628 14.102 567 HE2 HIS 75 HE2 HIS 75 77.757 0.718 15.055 568 HB2 HIS 75 HB2 HIS 75 78.289 -0.543 10.292 569 HB3 HIS 75 HB1 HIS 75 77.160 0.717 9.798 570 H1U RCY 76 H1U RCY 76 76.317 -3.462 6.059 571 H1S RCY 76 H1S RCY 76 79.194 -4.212 7.544 572 HB1 RCY 76 HB1 RCY 76 78.863 -5.523 11.143 573 HB2 RCY 76 HB2 RCY 76 78.841 -4.011 10.237 574 HA RCY 76 HA RCY 76 76.421 -5.660 9.888 575 HN1 RCY 76 HN1 RCY 76 75.913 -3.454 9.250 576 H GLU 77 HN GLU 77 75.250 -3.635 11.955 577 HA GLU 77 HA GLU 77 76.164 -4.559 14.536 578 HB2 GLU 77 HB2 GLU 77 74.870 -2.405 14.025 579 HB3 GLU 77 HB1 GLU 77 73.428 -3.417 13.931 580 HG2 GLU 77 HG2 GLU 77 73.492 -2.660 16.183 581 HG3 GLU 77 HG1 GLU 77 74.107 -4.312 16.243 582 H LEU 78 HN LEU 78 73.302 -5.346 12.540 583 HA LEU 78 HA LEU 78 72.504 -7.490 14.360 584 HG LEU 78 HG LEU 78 71.557 -4.952 12.860 585 HB2 LEU 78 HB2 LEU 78 71.281 -7.753 11.757 586 HB3 LEU 78 HB1 LEU 78 70.530 -7.278 13.277 587 HD11 LEU 78 HD11 LEU 78 72.344 -4.408 10.724 588 HD12 LEU 78 HD12 LEU 78 71.556 -5.797 9.974 589 HD13 LEU 78 HD13 LEU 78 73.004 -6.028 10.955 590 HD21 LEU 78 HD21 LEU 78 69.175 -5.307 12.639 591 HD22 LEU 78 HD22 LEU 78 69.389 -6.100 11.078 592 HD23 LEU 78 HD23 LEU 78 69.705 -4.372 11.240 593 H HIS 79 HN HIS 79 72.019 -9.712 13.079 594 HA HIS 79 HA HIS 79 74.672 -10.665 12.248 595 HD1 HIS 79 HD1 HIS 79 71.586 -12.147 15.041 596 HD2 HIS 79 HD2 HIS 79 75.673 -12.170 14.207 597 HE1 HIS 79 HE1 HIS 79 72.771 -12.279 17.275 598 HE2 HIS 79 HE2 HIS 79 75.260 -12.294 16.782 599 HB2 HIS 79 HB2 HIS 79 72.009 -12.074 12.593 600 HB3 HIS 79 HB1 HIS 79 73.502 -12.891 12.131 601 H GLU 80 HN GLU 80 73.889 -8.850 10.375 602 HA GLU 80 HA GLU 80 72.535 -10.259 8.163 603 HB2 GLU 80 HB2 GLU 80 72.313 -7.737 8.762 604 HB3 GLU 80 HB1 GLU 80 73.875 -7.562 7.962 605 HG2 GLU 80 HG2 GLU 80 72.252 -7.171 6.262 606 HG3 GLU 80 HG1 GLU 80 72.833 -8.813 5.983 607 H LEU 81 HN LEU 81 75.679 -9.987 9.376 608 HA LEU 81 HA LEU 81 77.131 -9.991 6.870 609 HG LEU 81 HG LEU 81 77.995 -12.365 9.491 610 HB2 LEU 81 HB2 LEU 81 79.076 -10.508 8.197 611 HB3 LEU 81 HB1 LEU 81 78.109 -9.358 9.114 612 HD11 LEU 81 HD11 LEU 81 79.282 -10.280 11.275 613 HD12 LEU 81 HD12 LEU 81 80.183 -11.304 10.157 614 HD13 LEU 81 HD13 LEU 81 79.300 -12.029 11.500 615 HD21 LEU 81 HD21 LEU 81 76.664 -9.992 10.780 616 HD22 LEU 81 HD22 LEU 81 76.927 -11.468 11.709 617 HD23 LEU 81 HD23 LEU 81 75.943 -11.510 10.246 618 H ALA 82 HN ALA 82 75.545 -12.426 8.794 619 HA ALA 82 HA ALA 82 76.922 -14.718 7.735 620 HB1 ALA 82 HB1 ALA 82 75.542 -14.828 9.778 621 HB2 ALA 82 HB2 ALA 82 74.981 -15.994 8.580 622 HB3 ALA 82 HB3 ALA 82 74.098 -14.486 8.823 623 H GLN 83 HN GLN 83 76.851 -13.639 5.442 624 HA GLN 83 HA GLN 83 74.304 -14.238 4.025 625 HB2 GLN 83 HB2 GLN 83 76.845 -12.843 3.130 626 HB3 GLN 83 HB1 GLN 83 75.446 -13.117 2.094 627 HG2 GLN 83 HG2 GLN 83 74.045 -11.741 3.470 628 HG3 GLN 83 HG1 GLN 83 75.266 -11.662 4.741 629 HE21 GLN 83 HE21 GLN 83 76.618 -11.499 1.581 630 HE22 GLN 83 HE22 GLN 83 76.849 -9.818 1.523 631 H TYR 84 HN TYR 84 77.394 -14.440 2.421 632 HA TYR 84 HA TYR 84 77.555 -17.354 2.569 633 HD1 TYR 84 HD1 TYR 84 75.767 -14.369 0.176 634 HD2 TYR 84 HD2 TYR 84 78.542 -17.256 -1.378 635 HE1 TYR 84 HE1 TYR 84 76.361 -12.810 -1.659 636 HE2 TYR 84 HE2 TYR 84 79.136 -15.697 -3.213 637 HH TYR 84 HH TYR 84 78.671 -13.760 -4.200 638 HB2 TYR 84 HB2 TYR 84 76.970 -17.876 0.332 639 HB3 TYR 84 HB1 TYR 84 75.702 -16.770 0.859 640 H GLY 85 HN GLY 85 79.068 -14.594 2.640 641 HA2 GLY 85 HA2 GLY 85 81.486 -15.655 1.254 642 HA3 GLY 85 HA1 GLY 85 80.996 -13.982 0.977 643 H ILE 86 HN ILE 86 80.704 -15.661 4.065 644 HA ILE 86 HA ILE 86 81.723 -15.272 6.137 645 HB ILE 86 HB ILE 86 83.965 -13.911 4.631 646 HG12 ILE 86 HG12 ILE 86 83.655 -16.878 5.181 647 HG13 ILE 86 HG11 ILE 86 83.375 -16.133 3.607 648 HG21 ILE 86 HG21 ILE 86 85.305 -14.767 6.508 649 HG22 ILE 86 HG22 ILE 86 83.873 -15.538 7.190 650 HG23 ILE 86 HG23 ILE 86 83.972 -13.779 7.105 651 HD11 ILE 86 HD11 ILE 86 85.977 -16.055 5.164 652 HD12 ILE 86 HD12 ILE 86 85.698 -15.279 3.605 653 HD13 ILE 86 HD13 ILE 86 85.660 -17.037 3.734 654 H1U RCY 87 H1U RCY 87 76.634 -6.988 0.481 655 H1S RCY 87 H1S RCY 87 78.451 -9.905 2.790 656 HB1 RCY 87 HB1 RCY 87 82.755 -10.195 3.692 657 HB2 RCY 87 HB2 RCY 87 81.655 -8.935 4.250 658 HA RCY 87 HA RCY 87 81.799 -10.571 6.010 659 HN1 RCY 87 HN1 RCY 87 81.777 -12.552 3.858 Start of MODEL 11 1 HA MET 1 HA MET 1 62.204 -13.767 11.286 2 HB2 MET 1 HB2 MET 1 63.160 -11.154 12.403 3 HB3 MET 1 HB1 MET 1 63.621 -12.797 12.848 4 HG2 MET 1 HG2 MET 1 65.519 -12.074 11.695 5 HG3 MET 1 HG1 MET 1 64.612 -12.882 10.417 6 HE1 MET 1 HE1 MET 1 65.333 -10.332 7.908 7 HE2 MET 1 HE2 MET 1 64.632 -11.915 8.235 8 HE3 MET 1 HE3 MET 1 66.248 -11.534 8.826 9 H ASN 2 HN ASN 2 60.099 -11.873 10.046 10 HA ASN 2 HA ASN 2 58.859 -10.619 12.379 11 HB2 ASN 2 HB2 ASN 2 56.935 -10.286 10.728 12 HB3 ASN 2 HB1 ASN 2 58.466 -9.527 10.290 13 HD21 ASN 2 HD21 ASN 2 59.954 -11.135 8.923 14 HD22 ASN 2 HD22 ASN 2 59.151 -11.992 7.698 15 H LEU 3 HN LEU 3 56.638 -12.270 10.357 16 HA LEU 3 HA LEU 3 55.683 -13.837 12.630 17 HG LEU 3 HG LEU 3 53.325 -13.780 12.539 18 HB2 LEU 3 HB2 LEU 3 54.370 -12.727 10.579 19 HB3 LEU 3 HB1 LEU 3 54.646 -14.313 9.861 20 HD11 LEU 3 HD11 LEU 3 51.309 -14.642 11.438 21 HD12 LEU 3 HD12 LEU 3 52.208 -14.872 9.938 22 HD13 LEU 3 HD13 LEU 3 51.927 -13.245 10.557 23 HD21 LEU 3 HD21 LEU 3 54.056 -16.323 11.068 24 HD22 LEU 3 HD22 LEU 3 52.843 -16.284 12.348 25 HD23 LEU 3 HD23 LEU 3 54.515 -15.852 12.705 26 H GLU 4 HN GLU 4 56.298 -14.971 9.291 27 HA GLU 4 HA GLU 4 57.204 -17.553 10.412 28 HB2 GLU 4 HB2 GLU 4 56.824 -16.707 7.523 29 HB3 GLU 4 HB1 GLU 4 57.106 -18.351 8.095 30 HG2 GLU 4 HG2 GLU 4 54.731 -16.632 8.871 31 HG3 GLU 4 HG1 GLU 4 54.695 -17.916 7.661 32 HA PRO 5 HA PRO 5 61.479 -16.497 9.863 33 HB2 PRO 5 HB2 PRO 5 62.576 -18.994 9.664 34 HB3 PRO 5 HB1 PRO 5 61.968 -18.325 11.191 35 HG2 PRO 5 HG2 PRO 5 60.673 -20.252 9.330 36 HG3 PRO 5 HG1 PRO 5 60.692 -20.230 11.101 37 HD2 PRO 5 HD2 PRO 5 58.557 -19.352 9.615 38 HD3 PRO 5 HD1 PRO 5 58.939 -18.727 11.235 39 HA PRO 6 HA PRO 6 62.240 -16.608 5.477 40 HB2 PRO 6 HB2 PRO 6 64.903 -16.056 5.400 41 HB3 PRO 6 HB1 PRO 6 63.691 -14.844 5.864 42 HG2 PRO 6 HG2 PRO 6 65.479 -16.477 7.597 43 HG3 PRO 6 HG1 PRO 6 65.014 -14.774 7.741 44 HD2 PRO 6 HD2 PRO 6 63.867 -16.783 9.230 45 HD3 PRO 6 HD1 PRO 6 63.033 -15.268 8.822 46 H LYS 7 HN LYS 7 63.098 -17.964 3.822 47 HA LYS 7 HA LYS 7 64.581 -20.388 4.775 48 HB2 LYS 7 HB2 LYS 7 62.263 -20.123 2.860 49 HB3 LYS 7 HB1 LYS 7 63.363 -21.496 2.759 50 HG2 LYS 7 HG2 LYS 7 61.781 -22.350 4.229 51 HG3 LYS 7 HG1 LYS 7 62.911 -21.626 5.373 52 HD2 LYS 7 HD2 LYS 7 61.467 -19.480 5.097 53 HD3 LYS 7 HD1 LYS 7 60.249 -20.572 4.437 54 HE2 LYS 7 HE2 LYS 7 61.501 -20.653 7.191 55 HE3 LYS 7 HE1 LYS 7 59.802 -20.406 6.787 56 HZ1 LYS 7 HZ1 LYS 7 59.918 -22.676 5.722 57 HZ2 LYS 7 HZ2 LYS 7 59.985 -22.639 7.419 58 HZ3 LYS 7 HZ3 LYS 7 61.403 -22.880 6.516 59 H ALA 8 HN ALA 8 63.761 -19.978 1.446 60 HA ALA 8 HA ALA 8 66.321 -20.295 0.411 61 HB1 ALA 8 HB1 ALA 8 64.055 -18.607 -0.689 62 HB2 ALA 8 HB2 ALA 8 64.383 -20.302 -1.051 63 HB3 ALA 8 HB3 ALA 8 65.492 -19.050 -1.609 64 H GLU 9 HN GLU 9 65.092 -17.107 -0.308 65 HA GLU 9 HA GLU 9 66.818 -15.643 1.479 66 HB2 GLU 9 HB2 GLU 9 68.466 -16.732 -0.147 67 HB3 GLU 9 HB1 GLU 9 67.762 -15.702 -1.395 68 HG2 GLU 9 HG2 GLU 9 69.662 -14.518 -0.541 69 HG3 GLU 9 HG1 GLU 9 68.239 -13.725 0.136 70 H1U RCY 10 H1U RCY 10 59.874 -15.463 1.449 71 H1S RCY 10 H1S RCY 10 62.188 -16.468 -1.881 72 HB1 RCY 10 HB1 RCY 10 65.198 -14.113 -3.880 73 HB2 RCY 10 HB2 RCY 10 63.845 -12.982 -3.844 74 HA RCY 10 HA RCY 10 65.053 -12.645 -1.802 75 HN1 RCY 10 HN1 RCY 10 65.664 -15.426 -1.913 76 H ARG 11 HN ARG 11 62.569 -12.001 -2.237 77 HA ARG 11 HA ARG 11 60.687 -13.497 -0.548 78 HE ARG 11 HE ARG 11 62.682 -10.837 3.020 79 HB2 ARG 11 HB2 ARG 11 60.241 -11.522 0.925 80 HB3 ARG 11 HB1 ARG 11 61.846 -12.212 1.161 81 HG2 ARG 11 HG2 ARG 11 62.161 -10.332 -0.904 82 HG3 ARG 11 HG1 ARG 11 61.119 -9.542 0.280 83 HD2 ARG 11 HD2 ARG 11 63.763 -10.889 0.907 84 HD3 ARG 11 HD1 ARG 11 63.516 -9.148 0.773 85 HH11 ARG 11 HH21 ARG 11 62.309 -7.906 1.244 86 HH12 ARG 11 HH22 ARG 11 61.632 -7.029 2.575 87 HH21 ARG 11 HH11 ARG 11 61.799 -9.710 4.769 88 HH22 ARG 11 HH12 ARG 11 61.343 -8.051 4.571 89 H SER 12 HN SER 12 59.000 -13.514 -1.964 90 HA SER 12 HA SER 12 57.375 -12.734 -3.468 91 HG SER 12 HG SER 12 55.607 -11.370 -3.307 92 HB2 SER 12 HB2 SER 12 56.925 -11.315 -1.391 93 HB3 SER 12 HB1 SER 12 57.848 -10.037 -2.177 94 H ALA 13 HN ALA 13 57.095 -10.328 -4.829 95 HA ALA 13 HA ALA 13 59.373 -10.490 -6.677 96 HB1 ALA 13 HB1 ALA 13 57.113 -10.324 -7.600 97 HB2 ALA 13 HB2 ALA 13 58.035 -8.885 -8.037 98 HB3 ALA 13 HB3 ALA 13 56.847 -8.809 -6.736 99 H THR 14 HN THR 14 57.700 -7.657 -5.254 100 HA THR 14 HA THR 14 60.285 -6.557 -4.365 101 HB THR 14 HB THR 14 59.903 -4.422 -5.639 102 HG1 THR 14 HG1 THR 14 58.277 -5.805 -7.411 103 HG21 THR 14 HG21 THR 14 60.115 -6.785 -7.509 104 HG22 THR 14 HG22 THR 14 61.410 -6.353 -6.393 105 HG23 THR 14 HG23 THR 14 60.908 -5.216 -7.644 106 H ARG 15 HN ARG 15 56.801 -6.029 -4.826 107 HA ARG 15 HA ARG 15 55.331 -4.631 -3.582 108 HE ARG 15 HE ARG 15 55.696 -5.577 0.667 109 HB2 ARG 15 HB2 ARG 15 55.135 -5.512 -1.258 110 HB3 ARG 15 HB1 ARG 15 55.213 -6.793 -2.466 111 HG2 ARG 15 HG2 ARG 15 57.534 -7.216 -1.987 112 HG3 ARG 15 HG1 ARG 15 57.644 -5.777 -0.972 113 HD2 ARG 15 HD2 ARG 15 55.942 -8.223 -0.404 114 HD3 ARG 15 HD1 ARG 15 57.437 -7.789 0.425 115 HH11 ARG 15 HH21 ARG 15 55.897 -8.905 1.547 116 HH12 ARG 15 HH22 ARG 15 54.963 -8.716 2.993 117 HH21 ARG 15 HH11 ARG 15 54.475 -5.312 2.551 118 HH22 ARG 15 HH12 ARG 15 54.158 -6.682 3.562 119 H VAL 16 HN VAL 16 57.850 -3.280 -4.010 120 HA VAL 16 HA VAL 16 59.103 -1.491 -3.146 121 HB VAL 16 HB VAL 16 56.803 -1.047 -1.242 122 HG11 VAL 16 HG11 VAL 16 57.369 1.249 -1.488 123 HG12 VAL 16 HG12 VAL 16 58.333 0.937 -2.932 124 HG13 VAL 16 HG13 VAL 16 58.917 0.415 -1.351 125 HG21 VAL 16 HG21 VAL 16 55.684 -1.550 -3.298 126 HG22 VAL 16 HG22 VAL 16 56.881 -0.665 -4.244 127 HG23 VAL 16 HG23 VAL 16 55.755 0.210 -3.206 128 H MET 17 HN MET 17 58.230 -0.836 -0.127 129 HA MET 17 HA MET 17 60.437 -2.437 1.007 130 HB2 MET 17 HB2 MET 17 58.778 -0.119 2.004 131 HB3 MET 17 HB1 MET 17 59.840 -1.021 3.088 132 HG2 MET 17 HG2 MET 17 61.779 -0.470 1.789 133 HG3 MET 17 HG1 MET 17 60.793 0.174 0.476 134 HE1 MET 17 HE1 MET 17 60.345 2.497 0.140 135 HE2 MET 17 HE2 MET 17 59.743 3.577 1.396 136 HE3 MET 17 HE3 MET 17 58.897 2.068 1.060 137 H GLY 18 HN GLY 18 59.883 -3.138 3.443 138 HA2 GLY 18 HA2 GLY 18 57.750 -5.124 3.182 139 HA3 GLY 18 HA1 GLY 18 58.837 -4.947 4.560 140 H GLY 19 HN GLY 19 56.274 -3.011 2.966 141 HA2 GLY 19 HA2 GLY 19 54.269 -2.222 3.991 142 HA3 GLY 19 HA1 GLY 19 54.862 -2.805 5.546 143 HA PRO 20 HA PRO 20 55.056 1.944 5.200 144 HB2 PRO 20 HB2 PRO 20 54.257 1.440 8.042 145 HB3 PRO 20 HB1 PRO 20 53.692 2.691 6.917 146 HG2 PRO 20 HG2 PRO 20 52.201 0.564 7.495 147 HG3 PRO 20 HG1 PRO 20 52.216 1.275 5.873 148 HD2 PRO 20 HD2 PRO 20 53.448 -1.270 6.821 149 HD3 PRO 20 HD1 PRO 20 52.839 -0.842 5.207 150 H1U RCY 21 H1U RCY 21 63.442 6.414 3.773 151 H1S RCY 21 H1S RCY 21 60.915 4.427 6.194 152 HB1 RCY 21 HB1 RCY 21 59.576 3.226 5.478 153 HB2 RCY 21 HB2 RCY 21 59.391 1.484 5.678 154 HA RCY 21 HA RCY 21 58.570 1.939 8.030 155 HN1 RCY 21 HN1 RCY 21 56.772 3.203 6.016 156 H THR 22 HN THR 22 58.812 3.406 9.642 157 HA THR 22 HA THR 22 57.939 6.077 9.574 158 HB THR 22 HB THR 22 58.630 6.103 11.740 159 HG1 THR 22 HG1 THR 22 61.082 5.593 10.520 160 HG21 THR 22 HG21 THR 22 59.115 3.953 12.702 161 HG22 THR 22 HG22 THR 22 59.769 3.356 11.176 162 HG23 THR 22 HG23 THR 22 58.041 3.675 11.330 163 HA PRO 23 HA PRO 23 61.029 8.222 7.250 164 HB2 PRO 23 HB2 PRO 23 61.051 10.668 8.476 165 HB3 PRO 23 HB1 PRO 23 59.716 10.112 7.447 166 HG2 PRO 23 HG2 PRO 23 59.911 10.167 10.416 167 HG3 PRO 23 HG1 PRO 23 58.533 10.541 9.366 168 HD2 PRO 23 HD2 PRO 23 58.800 8.151 10.686 169 HD3 PRO 23 HD1 PRO 23 57.923 8.320 9.149 170 H ARG 24 HN ARG 24 63.019 7.191 7.707 171 HA ARG 24 HA ARG 24 64.441 7.891 10.209 172 HE ARG 24 HE ARG 24 65.907 3.353 8.563 173 HB2 ARG 24 HB2 ARG 24 64.385 5.530 9.265 174 HB3 ARG 24 HB1 ARG 24 65.412 6.117 7.957 175 HG2 ARG 24 HG2 ARG 24 66.985 6.988 9.781 176 HG3 ARG 24 HG1 ARG 24 66.045 6.012 10.910 177 HD2 ARG 24 HD2 ARG 24 67.571 5.026 8.485 178 HD3 ARG 24 HD1 ARG 24 67.933 4.686 10.177 179 HH11 ARG 24 HH21 ARG 24 66.892 4.366 11.707 180 HH12 ARG 24 HH22 ARG 24 65.990 3.139 12.531 181 HH21 ARG 24 HH11 ARG 24 64.723 1.744 9.620 182 HH22 ARG 24 HH12 ARG 24 64.762 1.654 11.350 183 H LYS 25 HN LYS 25 65.451 9.851 10.118 184 HA LYS 25 HA LYS 25 66.581 10.816 7.564 185 HB2 LYS 25 HB2 LYS 25 67.261 12.777 9.187 186 HB3 LYS 25 HB1 LYS 25 65.576 12.593 8.702 187 HG2 LYS 25 HG2 LYS 25 66.484 11.095 11.121 188 HG3 LYS 25 HG1 LYS 25 66.268 12.840 11.274 189 HD2 LYS 25 HD2 LYS 25 64.120 11.245 9.926 190 HD3 LYS 25 HD1 LYS 25 64.232 11.195 11.686 191 HE2 LYS 25 HE2 LYS 25 64.083 13.631 11.801 192 HE3 LYS 25 HE1 LYS 25 64.077 13.738 10.041 193 HZ1 LYS 25 HZ1 LYS 25 62.007 12.580 9.959 194 HZ2 LYS 25 HZ2 LYS 25 61.844 13.867 11.056 195 HZ3 LYS 25 HZ3 LYS 25 62.037 12.279 11.628 196 H GLY 26 HN GLY 26 67.651 9.589 10.693 197 HA2 GLY 26 HA2 GLY 26 69.768 8.862 11.394 198 HA3 GLY 26 HA1 GLY 26 70.191 8.755 9.686 199 HA PRO 27 HA PRO 27 71.173 13.292 11.108 200 HB2 PRO 27 HB2 PRO 27 71.208 13.111 14.047 201 HB3 PRO 27 HB1 PRO 27 70.338 14.254 13.008 202 HG2 PRO 27 HG2 PRO 27 69.110 12.325 14.435 203 HG3 PRO 27 HG1 PRO 27 68.484 12.942 12.897 204 HD2 PRO 27 HD2 PRO 27 69.944 10.377 13.445 205 HD3 PRO 27 HD1 PRO 27 68.605 10.695 12.317 206 HA PRO 28 HA PRO 28 75.527 12.911 11.747 207 HB2 PRO 28 HB2 PRO 28 75.344 14.608 14.214 208 HB3 PRO 28 HB1 PRO 28 76.443 14.752 12.828 209 HG2 PRO 28 HG2 PRO 28 74.337 16.359 13.112 210 HG3 PRO 28 HG1 PRO 28 74.870 15.797 11.520 211 HD2 PRO 28 HD2 PRO 28 72.469 14.999 13.080 212 HD3 PRO 28 HD1 PRO 28 72.738 14.960 11.324 213 H LYS 29 HN LYS 29 76.607 11.176 12.593 214 HA LYS 29 HA LYS 29 76.663 10.569 15.413 215 HB2 LYS 29 HB2 LYS 29 74.379 9.761 14.918 216 HB3 LYS 29 HB1 LYS 29 75.025 8.723 13.647 217 HG2 LYS 29 HG2 LYS 29 76.185 7.354 15.195 218 HG3 LYS 29 HG1 LYS 29 76.033 8.545 16.487 219 HD2 LYS 29 HD2 LYS 29 73.527 7.454 15.271 220 HD3 LYS 29 HD1 LYS 29 74.426 6.429 16.390 221 HE2 LYS 29 HE2 LYS 29 73.711 9.286 17.065 222 HE3 LYS 29 HE1 LYS 29 72.625 7.942 17.420 223 HZ1 LYS 29 HZ1 LYS 29 75.206 8.612 18.606 224 HZ2 LYS 29 HZ2 LYS 29 74.844 6.963 18.421 225 HZ3 LYS 29 HZ3 LYS 29 73.815 7.964 19.330 226 H1U RCY 30 H1U RCY 30 77.053 9.291 5.450 227 H1S RCY 30 H1S RCY 30 79.199 9.087 8.901 228 HB1 RCY 30 HB1 RCY 30 77.987 8.410 10.361 229 HB2 RCY 30 HB2 RCY 30 77.920 6.694 10.756 230 HA RCY 30 HA RCY 30 78.817 7.011 12.882 231 HN1 RCY 30 HN1 RCY 30 76.778 8.823 12.279 232 H LYS 31 HN LYS 31 81.152 7.104 12.351 233 HA LYS 31 HA LYS 31 82.294 9.706 13.183 234 HB2 LYS 31 HB2 LYS 31 83.821 7.154 12.640 235 HB3 LYS 31 HB1 LYS 31 84.286 8.504 13.676 236 HG2 LYS 31 HG2 LYS 31 81.975 6.601 14.165 237 HG3 LYS 31 HG1 LYS 31 83.502 6.626 15.048 238 HD2 LYS 31 HD2 LYS 31 82.957 9.075 15.601 239 HD3 LYS 31 HD1 LYS 31 81.323 8.718 15.037 240 HE2 LYS 31 HE2 LYS 31 81.525 8.418 17.490 241 HE3 LYS 31 HE1 LYS 31 81.133 6.901 16.680 242 HZ1 LYS 31 HZ1 LYS 31 83.324 7.460 18.311 243 HZ2 LYS 31 HZ2 LYS 31 83.921 7.204 16.742 244 HZ3 LYS 31 HZ3 LYS 31 82.971 6.015 17.496 245 H GLN 32 HN GLN 32 81.385 10.266 10.803 246 HA GLN 32 HA GLN 32 82.728 9.471 8.471 247 HB2 GLN 32 HB2 GLN 32 81.744 12.248 9.204 248 HB3 GLN 32 HB1 GLN 32 82.160 11.722 7.574 249 HG2 GLN 32 HG2 GLN 32 79.868 11.334 7.571 250 HG3 GLN 32 HG1 GLN 32 80.461 9.764 8.113 251 HE21 GLN 32 HE21 GLN 32 77.884 10.363 8.877 252 HE22 GLN 32 HE22 GLN 32 77.820 10.770 10.524 253 H ARG 33 HN ARG 33 84.782 9.776 7.713 254 HA ARG 33 HA ARG 33 86.842 10.812 9.401 255 HE ARG 33 HE ARG 33 85.631 8.693 7.933 256 HB2 ARG 33 HB2 ARG 33 88.214 10.777 7.243 257 HB3 ARG 33 HB1 ARG 33 87.493 9.242 7.722 258 HG2 ARG 33 HG2 ARG 33 85.694 10.860 6.071 259 HG3 ARG 33 HG1 ARG 33 87.197 10.454 5.241 260 HD2 ARG 33 HD2 ARG 33 85.230 8.768 5.082 261 HD3 ARG 33 HD1 ARG 33 86.833 8.135 5.457 262 HH11 ARG 33 HH21 ARG 33 85.054 6.767 5.132 263 HH12 ARG 33 HH22 ARG 33 84.225 5.518 5.999 264 HH21 ARG 33 HH11 ARG 33 84.552 7.073 9.081 265 HH22 ARG 33 HH12 ARG 33 83.941 5.691 8.235 266 H GLN 34 HN GLN 34 87.428 12.200 6.414 267 HA GLN 34 HA GLN 34 86.067 14.741 6.826 268 HB2 GLN 34 HB2 GLN 34 88.669 14.290 8.047 269 HB3 GLN 34 HB1 GLN 34 88.761 15.589 6.859 270 HG2 GLN 34 HG2 GLN 34 86.838 16.707 7.928 271 HG3 GLN 34 HG1 GLN 34 86.741 15.408 9.118 272 HE21 GLN 34 HE21 GLN 34 88.177 15.492 10.906 273 HE22 GLN 34 HE22 GLN 34 89.354 16.698 11.109 274 H THR 35 HN THR 35 85.470 14.454 4.634 275 HA THR 35 HA THR 35 87.566 15.217 2.699 276 HB THR 35 HB THR 35 86.954 13.357 1.154 277 HG1 THR 35 HG1 THR 35 85.498 12.506 3.431 278 HG21 THR 35 HG21 THR 35 88.299 11.701 2.221 279 HG22 THR 35 HG22 THR 35 87.828 12.252 3.828 280 HG23 THR 35 HG23 THR 35 88.881 13.252 2.827 281 H ARG 36 HN ARG 36 84.170 14.400 3.316 282 HA ARG 36 HA ARG 36 82.196 15.300 2.429 283 HE ARG 36 HE ARG 36 85.257 19.640 4.354 284 HB2 ARG 36 HB2 ARG 36 83.937 17.696 1.783 285 HB3 ARG 36 HB1 ARG 36 82.192 17.683 2.047 286 HG2 ARG 36 HG2 ARG 36 82.610 16.867 4.381 287 HG3 ARG 36 HG1 ARG 36 84.339 17.072 4.099 288 HD2 ARG 36 HD2 ARG 36 82.389 19.335 3.660 289 HD3 ARG 36 HD1 ARG 36 83.102 19.023 5.243 290 HH11 ARG 36 HH21 ARG 36 82.665 19.701 2.080 291 HH12 ARG 36 HH22 ARG 36 83.540 20.626 0.906 292 HH21 ARG 36 HH11 ARG 36 86.414 20.848 2.834 293 HH22 ARG 36 HH12 ARG 36 85.663 21.276 1.333 294 H GLN 37 HN GLN 37 84.671 14.324 0.565 295 HA GLN 37 HA GLN 37 83.047 14.486 -1.881 296 HB2 GLN 37 HB2 GLN 37 85.742 15.839 -1.629 297 HB3 GLN 37 HB1 GLN 37 85.054 15.381 -3.186 298 HG2 GLN 37 HG2 GLN 37 82.966 16.685 -2.487 299 HG3 GLN 37 HG1 GLN 37 83.939 17.340 -1.170 300 HE21 GLN 37 HE21 GLN 37 83.074 17.853 -4.415 301 HE22 GLN 37 HE22 GLN 37 84.319 18.929 -4.833 302 H1U RCY 38 H1U RCY 38 83.203 4.010 -1.077 303 H1S RCY 38 H1S RCY 38 84.015 7.942 -1.450 304 HB1 RCY 38 HB1 RCY 38 84.419 10.600 -1.955 305 HB2 RCY 38 HB2 RCY 38 84.752 9.987 -0.337 306 HA RCY 38 HA RCY 38 86.817 11.155 -0.201 307 HN1 RCY 38 HN1 RCY 38 85.582 13.136 0.017 308 H LYS 39 HN LYS 39 88.237 9.972 -1.714 309 HA LYS 39 HA LYS 39 88.924 11.666 -4.075 310 HB2 LYS 39 HB2 LYS 39 90.598 9.547 -2.693 311 HB3 LYS 39 HB1 LYS 39 91.142 10.668 -3.939 312 HG2 LYS 39 HG2 LYS 39 91.816 11.905 -2.132 313 HG3 LYS 39 HG1 LYS 39 90.132 12.430 -2.144 314 HD2 LYS 39 HD2 LYS 39 89.620 10.485 -0.601 315 HD3 LYS 39 HD1 LYS 39 91.361 10.240 -0.453 316 HE2 LYS 39 HE2 LYS 39 90.493 11.636 1.396 317 HE3 LYS 39 HE1 LYS 39 91.625 12.538 0.389 318 HZ1 LYS 39 HZ1 LYS 39 89.087 12.831 -0.720 319 HZ2 LYS 39 HZ2 LYS 39 90.044 14.019 0.028 320 HZ3 LYS 39 HZ3 LYS 39 88.933 13.117 0.945 321 H SER 40 HN SER 40 90.088 10.180 -5.835 322 HA SER 40 HA SER 40 88.048 8.221 -6.661 323 HG SER 40 HG SER 40 91.320 9.056 -8.773 324 HB2 SER 40 HB2 SER 40 89.452 8.118 -8.754 325 HB3 SER 40 HB1 SER 40 88.856 9.730 -8.370 326 H LYS 41 HN LYS 41 91.534 8.261 -5.911 327 HA LYS 41 HA LYS 41 91.690 5.338 -6.180 328 HB2 LYS 41 HB2 LYS 41 93.558 7.567 -6.051 329 HB3 LYS 41 HB1 LYS 41 94.045 6.279 -4.951 330 HG2 LYS 41 HG2 LYS 41 95.053 5.769 -7.066 331 HG3 LYS 41 HG1 LYS 41 93.695 4.658 -6.887 332 HD2 LYS 41 HD2 LYS 41 92.289 6.243 -8.222 333 HD3 LYS 41 HD1 LYS 41 93.726 7.230 -8.493 334 HE2 LYS 41 HE2 LYS 41 93.142 4.446 -9.488 335 HE3 LYS 41 HE1 LYS 41 93.650 5.862 -10.408 336 HZ1 LYS 41 HZ1 LYS 41 95.551 4.546 -10.224 337 HZ2 LYS 41 HZ2 LYS 41 95.264 4.180 -8.591 338 HZ3 LYS 41 HZ3 LYS 41 95.762 5.741 -9.038 339 HA PRO 42 HA PRO 42 90.589 5.119 -1.793 340 HB2 PRO 42 HB2 PRO 42 90.090 2.456 -1.686 341 HB3 PRO 42 HB1 PRO 42 88.961 3.598 -2.441 342 HG2 PRO 42 HG2 PRO 42 90.915 1.759 -3.719 343 HG3 PRO 42 HG1 PRO 42 89.280 2.205 -4.232 344 HD2 PRO 42 HD2 PRO 42 91.609 3.291 -5.292 345 HD3 PRO 42 HD1 PRO 42 90.013 4.068 -5.361 346 HA PRO 43 HA PRO 43 94.391 3.763 0.049 347 HB2 PRO 43 HB2 PRO 43 93.557 2.954 2.528 348 HB3 PRO 43 HB1 PRO 43 93.634 4.658 2.039 349 HG2 PRO 43 HG2 PRO 43 91.282 2.842 2.181 350 HG3 PRO 43 HG1 PRO 43 91.417 4.554 2.619 351 HD2 PRO 43 HD2 PRO 43 90.300 3.699 0.264 352 HD3 PRO 43 HD1 PRO 43 91.104 5.274 0.443 353 H LYS 44 HN LYS 44 95.532 1.908 -0.329 354 HA LYS 44 HA LYS 44 95.975 -0.371 -0.689 355 HB2 LYS 44 HB2 LYS 44 94.134 -0.505 1.716 356 HB3 LYS 44 HB1 LYS 44 95.055 -1.880 1.105 357 HG2 LYS 44 HG2 LYS 44 97.129 -0.377 1.320 358 HG3 LYS 44 HG1 LYS 44 96.111 0.695 2.281 359 HD2 LYS 44 HD2 LYS 44 96.408 -2.253 2.892 360 HD3 LYS 44 HD1 LYS 44 97.451 -1.022 3.606 361 HE2 LYS 44 HE2 LYS 44 94.437 -1.217 3.860 362 HE3 LYS 44 HE1 LYS 44 95.625 -1.448 5.143 363 HZ1 LYS 44 HZ1 LYS 44 94.880 1.047 3.751 364 HZ2 LYS 44 HZ2 LYS 44 96.362 0.907 4.570 365 HZ3 LYS 44 HZ3 LYS 44 94.900 0.728 5.417 366 H LYS 45 HN LYS 45 95.024 -0.831 -2.679 367 HA LYS 45 HA LYS 45 92.164 -1.121 -3.022 368 HB2 LYS 45 HB2 LYS 45 94.520 -1.969 -4.730 369 HB3 LYS 45 HB1 LYS 45 92.839 -2.157 -5.229 370 HG2 LYS 45 HG2 LYS 45 92.480 0.260 -5.022 371 HG3 LYS 45 HG1 LYS 45 94.138 0.473 -4.457 372 HD2 LYS 45 HD2 LYS 45 94.413 0.940 -6.711 373 HD3 LYS 45 HD1 LYS 45 94.716 -0.797 -6.714 374 HE2 LYS 45 HE2 LYS 45 93.161 -0.417 -8.484 375 HE3 LYS 45 HE1 LYS 45 92.213 -1.089 -7.157 376 HZ1 LYS 45 HZ1 LYS 45 91.567 1.142 -6.523 377 HZ2 LYS 45 HZ2 LYS 45 91.141 0.845 -8.140 378 HZ3 LYS 45 HZ3 LYS 45 92.498 1.802 -7.778 379 H GLY 46 HN GLY 46 90.922 -2.951 -2.797 380 HA2 GLY 46 HA2 GLY 46 92.118 -5.264 -1.478 381 HA3 GLY 46 HA1 GLY 46 90.413 -5.074 -1.888 382 H VAL 47 HN VAL 47 93.468 -6.328 -2.934 383 HA VAL 47 HA VAL 47 94.089 -7.250 -5.053 384 HB VAL 47 HB VAL 47 93.196 -8.960 -3.317 385 HG11 VAL 47 HG11 VAL 47 91.097 -9.856 -3.590 386 HG12 VAL 47 HG12 VAL 47 91.094 -9.585 -5.333 387 HG13 VAL 47 HG13 VAL 47 90.768 -8.247 -4.232 388 HG21 VAL 47 HG21 VAL 47 93.309 -10.787 -5.062 389 HG22 VAL 47 HG22 VAL 47 94.650 -9.644 -5.124 390 HG23 VAL 47 HG23 VAL 47 93.335 -9.524 -6.293 391 H GLN 48 HN GLN 48 92.497 -5.081 -5.733 392 HA GLN 48 HA GLN 48 91.162 -4.276 -7.486 393 HB2 GLN 48 HB2 GLN 48 91.495 -6.990 -8.771 394 HB3 GLN 48 HB1 GLN 48 91.337 -5.418 -9.555 395 HG2 GLN 48 HG2 GLN 48 93.531 -4.769 -8.457 396 HG3 GLN 48 HG1 GLN 48 93.705 -6.459 -7.982 397 HE21 GLN 48 HE21 GLN 48 92.489 -7.560 -10.428 398 HE22 GLN 48 HE22 GLN 48 93.598 -7.294 -11.686 399 H GLY 49 HN GLY 49 89.086 -4.910 -8.807 400 HA2 GLY 49 HA2 GLY 49 86.971 -6.030 -8.884 401 HA3 GLY 49 HA1 GLY 49 87.430 -6.945 -7.448 402 H1U RCY 50 H1U RCY 50 79.346 -7.244 -3.259 403 H1S RCY 50 H1S RCY 50 81.965 -4.780 -5.602 404 HB1 RCY 50 HB1 RCY 50 85.403 -4.116 -3.335 405 HB2 RCY 50 HB2 RCY 50 85.416 -5.334 -4.609 406 HA RCY 50 HA RCY 50 86.198 -2.733 -5.650 407 HN1 RCY 50 HN1 RCY 50 88.172 -4.816 -5.756 408 H GLY 51 HN GLY 51 87.277 -1.179 -4.548 409 HA2 GLY 51 HA2 GLY 51 89.438 -1.960 -2.690 410 HA3 GLY 51 HA1 GLY 51 89.123 -0.327 -3.280 411 H ASP 52 HN ASP 52 88.808 0.836 -1.415 412 HA ASP 52 HA ASP 52 87.874 1.468 0.649 413 HB2 ASP 52 HB2 ASP 52 85.901 1.641 -0.881 414 HB3 ASP 52 HB1 ASP 52 85.476 -0.019 -0.464 415 H ASP 53 HN ASP 53 89.447 -0.307 1.479 416 HA ASP 53 HA ASP 53 89.846 -2.086 2.957 417 HB2 ASP 53 HB2 ASP 53 88.222 -0.629 4.284 418 HB3 ASP 53 HB1 ASP 53 86.950 -1.733 3.760 419 H ILE 54 HN ILE 54 88.999 -4.358 3.554 420 HA ILE 54 HA ILE 54 88.169 -5.665 1.084 421 HB ILE 54 HB ILE 54 88.800 -6.680 3.864 422 HG12 ILE 54 HG12 ILE 54 90.738 -7.681 2.665 423 HG13 ILE 54 HG11 ILE 54 90.183 -6.925 1.172 424 HG21 ILE 54 HG21 ILE 54 87.185 -8.230 3.048 425 HG22 ILE 54 HG22 ILE 54 88.750 -8.958 2.683 426 HG23 ILE 54 HG23 ILE 54 87.832 -8.155 1.409 427 HD11 ILE 54 HD11 ILE 54 90.701 -4.776 1.906 428 HD12 ILE 54 HD12 ILE 54 91.989 -5.714 2.663 429 HD13 ILE 54 HD13 ILE 54 90.585 -5.220 3.608 430 HA PRO 55 HA PRO 55 83.846 -5.350 2.336 431 HB2 PRO 55 HB2 PRO 55 82.736 -6.446 0.108 432 HB3 PRO 55 HB1 PRO 55 83.413 -4.806 0.126 433 HG2 PRO 55 HG2 PRO 55 84.605 -7.323 -0.920 434 HG3 PRO 55 HG1 PRO 55 84.666 -5.683 -1.584 435 HD2 PRO 55 HD2 PRO 55 86.728 -6.840 -0.151 436 HD3 PRO 55 HD1 PRO 55 86.474 -5.087 -0.286 437 H GLY 56 HN GLY 56 85.384 -7.563 3.392 438 HA2 GLY 56 HA2 GLY 56 84.751 -9.529 4.560 439 HA3 GLY 56 HA1 GLY 56 83.210 -9.506 3.701 440 H MET 57 HN MET 57 84.887 -9.168 1.128 441 HA MET 57 HA MET 57 85.492 -10.665 -0.583 442 HB2 MET 57 HB2 MET 57 87.564 -10.537 0.881 443 HB3 MET 57 HB1 MET 57 87.029 -12.039 1.635 444 HG2 MET 57 HG2 MET 57 86.984 -13.108 -0.621 445 HG3 MET 57 HG1 MET 57 87.643 -11.621 -1.304 446 HE1 MET 57 HE1 MET 57 89.330 -12.920 -2.370 447 HE2 MET 57 HE2 MET 57 89.230 -14.517 -1.631 448 HE3 MET 57 HE3 MET 57 90.764 -13.650 -1.637 449 H GLU 58 HN GLU 58 83.081 -11.388 -0.193 450 HA GLU 58 HA GLU 58 83.050 -14.281 -0.333 451 HB2 GLU 58 HB2 GLU 58 83.135 -13.748 2.184 452 HB3 GLU 58 HB1 GLU 58 81.503 -13.109 1.984 453 HG2 GLU 58 HG2 GLU 58 80.737 -15.267 1.108 454 HG3 GLU 58 HG1 GLU 58 82.373 -15.915 1.231 455 H GLY 59 HN GLY 59 80.761 -11.704 0.667 456 HA2 GLY 59 HA2 GLY 59 79.407 -11.138 -1.614 457 HA3 GLY 59 HA1 GLY 59 78.774 -12.742 -1.241 458 H1U RCY 60 H1U RCY 60 77.577 -3.674 -1.544 459 H1S RCY 60 H1S RCY 60 79.572 -6.891 -0.034 460 HB1 RCY 60 HB1 RCY 60 79.064 -9.536 3.456 461 HB2 RCY 60 HB2 RCY 60 77.905 -8.207 3.497 462 HA RCY 60 HA RCY 60 77.088 -10.247 2.256 463 HN1 RCY 60 HN1 RCY 60 79.484 -9.742 0.595 464 H GLY 61 HN GLY 61 78.251 -8.010 -0.213 465 HA2 GLY 61 HA2 GLY 61 75.488 -7.132 -0.691 466 HA3 GLY 61 HA1 GLY 61 76.579 -5.861 -0.136 467 H THR 62 HN THR 62 77.371 -8.592 -2.264 468 HA THR 62 HA THR 62 77.531 -6.768 -4.590 469 HB THR 62 HB THR 62 79.912 -7.786 -4.995 470 HG1 THR 62 HG1 THR 62 80.553 -8.967 -3.404 471 HG21 THR 62 HG21 THR 62 79.408 -5.390 -4.567 472 HG22 THR 62 HG22 THR 62 80.927 -5.892 -3.826 473 HG23 THR 62 HG23 THR 62 79.481 -5.705 -2.834 474 H ASP 63 HN ASP 63 75.702 -8.796 -4.272 475 HA ASP 63 HA ASP 63 76.451 -11.383 -5.113 476 HB2 ASP 63 HB2 ASP 63 74.115 -10.446 -4.401 477 HB3 ASP 63 HB1 ASP 63 73.919 -10.092 -6.118 478 H ILE 64 HN ILE 64 75.977 -8.422 -6.977 479 HA ILE 64 HA ILE 64 76.634 -9.913 -9.464 480 HB ILE 64 HB ILE 64 75.351 -7.234 -8.977 481 HG12 ILE 64 HG12 ILE 64 73.949 -9.303 -8.987 482 HG13 ILE 64 HG11 ILE 64 73.548 -8.209 -10.311 483 HG21 ILE 64 HG21 ILE 64 76.670 -6.607 -10.769 484 HG22 ILE 64 HG22 ILE 64 75.332 -7.353 -11.642 485 HG23 ILE 64 HG23 ILE 64 76.821 -8.258 -11.371 486 HD11 ILE 64 HD11 ILE 64 74.734 -10.910 -10.399 487 HD12 ILE 64 HD12 ILE 64 75.514 -9.732 -11.455 488 HD13 ILE 64 HD13 ILE 64 73.788 -10.055 -11.618 489 H THR 65 HN THR 65 77.230 -6.529 -8.796 490 HA THR 65 HA THR 65 79.864 -6.357 -8.053 491 HB THR 65 HB THR 65 80.737 -6.098 -10.652 492 HG1 THR 65 HG1 THR 65 80.004 -8.274 -11.470 493 HG21 THR 65 HG21 THR 65 80.942 -8.183 -8.547 494 HG22 THR 65 HG22 THR 65 82.215 -7.258 -9.344 495 HG23 THR 65 HG23 THR 65 81.491 -8.645 -10.159 496 H VAL 66 HN VAL 66 77.906 -5.402 -10.862 497 HA VAL 66 HA VAL 66 78.541 -2.548 -10.296 498 HB VAL 66 HB VAL 66 77.058 -3.684 -12.681 499 HG11 VAL 66 HG11 VAL 66 77.474 -1.575 -13.685 500 HG12 VAL 66 HG12 VAL 66 78.687 -1.149 -12.477 501 HG13 VAL 66 HG13 VAL 66 76.980 -1.190 -12.037 502 HG21 VAL 66 HG21 VAL 66 79.322 -3.376 -13.829 503 HG22 VAL 66 HG22 VAL 66 79.200 -4.751 -12.732 504 HG23 VAL 66 HG23 VAL 66 80.021 -3.280 -12.212 505 H ILE 67 HN ILE 67 75.759 -4.706 -10.992 506 HA ILE 67 HA ILE 67 74.115 -2.946 -9.225 507 HB ILE 67 HB ILE 67 73.230 -4.055 -11.906 508 HG12 ILE 67 HG12 ILE 67 73.709 -1.187 -11.036 509 HG13 ILE 67 HG11 ILE 67 74.828 -2.126 -12.026 510 HG21 ILE 67 HG21 ILE 67 71.829 -2.293 -9.872 511 HG22 ILE 67 HG22 ILE 67 71.411 -3.961 -10.262 512 HG23 ILE 67 HG23 ILE 67 71.199 -2.694 -11.470 513 HD11 ILE 67 HD11 ILE 67 73.442 -0.773 -13.496 514 HD12 ILE 67 HD12 ILE 67 71.974 -1.383 -12.732 515 HD13 ILE 67 HD13 ILE 67 72.985 -2.465 -13.691 516 H1U RCY 68 H1U RCY 68 76.683 -1.902 -2.368 517 H1S RCY 68 H1S RCY 68 75.780 -3.633 -5.904 518 HB1 RCY 68 HB1 RCY 68 74.261 -7.834 -6.133 519 HB2 RCY 68 HB2 RCY 68 73.480 -6.466 -5.343 520 HA RCY 68 HA RCY 68 73.369 -7.317 -8.164 521 HN1 RCY 68 HN1 RCY 68 74.301 -4.611 -7.595 522 HA PRO 69 HA PRO 69 68.978 -6.797 -7.793 523 HB2 PRO 69 HB2 PRO 69 69.254 -9.059 -5.836 524 HB3 PRO 69 HB1 PRO 69 68.111 -8.870 -7.180 525 HG2 PRO 69 HG2 PRO 69 70.271 -10.441 -7.363 526 HG3 PRO 69 HG1 PRO 69 69.637 -9.542 -8.751 527 HD2 PRO 69 HD2 PRO 69 72.126 -9.086 -7.219 528 HD3 PRO 69 HD1 PRO 69 71.698 -8.549 -8.857 529 H TRP 70 HN TRP 70 70.807 -7.398 -4.788 530 HA TRP 70 HA TRP 70 68.839 -6.115 -3.086 531 HD1 TRP 70 HD1 TRP 70 69.772 -5.279 -0.060 532 HE1 TRP 70 HE1 TRP 70 68.310 -6.646 1.562 533 HE3 TRP 70 HE3 TRP 70 69.861 -9.815 -2.403 534 HZ2 TRP 70 HZ2 TRP 70 67.308 -9.316 1.832 535 HZ3 TRP 70 HZ3 TRP 70 68.648 -11.748 -1.446 536 HH2 TRP 70 HH2 TRP 70 67.373 -11.508 0.666 537 HB2 TRP 70 HB2 TRP 70 71.186 -7.657 -2.726 538 HB3 TRP 70 HB1 TRP 70 71.523 -6.106 -1.964 539 H GLU 71 HN GLU 71 69.661 -4.526 -5.382 540 HA GLU 71 HA GLU 71 70.642 -2.128 -3.910 541 HB2 GLU 71 HB2 GLU 71 72.373 -1.705 -5.390 542 HB3 GLU 71 HB1 GLU 71 72.376 -3.463 -5.436 543 HG2 GLU 71 HG2 GLU 71 72.336 -2.939 -7.714 544 HG3 GLU 71 HG1 GLU 71 70.618 -3.138 -7.368 545 H ALA 72 HN ALA 72 68.443 -3.566 -6.056 546 HA ALA 72 HA ALA 72 67.738 -1.208 -7.593 547 HB1 ALA 72 HB1 ALA 72 67.165 -3.375 -8.490 548 HB2 ALA 72 HB2 ALA 72 65.656 -2.543 -8.114 549 HB3 ALA 72 HB3 ALA 72 66.265 -3.797 -7.033 550 H1U RCY 73 H1U RCY 73 71.843 -3.520 -1.536 551 H1S RCY 73 H1S RCY 73 68.742 -1.291 -3.419 552 HB1 RCY 73 HB1 RCY 73 66.305 1.900 -2.665 553 HB2 RCY 73 HB2 RCY 73 67.730 1.617 -3.666 554 HA RCY 73 HA RCY 73 65.352 -0.244 -3.743 555 HN1 RCY 73 HN1 RCY 73 67.824 -0.019 -5.294 556 H ASN 74 HN ASN 74 66.114 1.134 -6.686 557 HA ASN 74 HA ASN 74 65.063 2.748 -8.025 558 HB2 ASN 74 HB2 ASN 74 62.744 2.247 -6.136 559 HB3 ASN 74 HB1 ASN 74 62.646 2.907 -7.768 560 HD21 ASN 74 HD21 ASN 74 65.086 0.585 -7.744 561 HD22 ASN 74 HD22 ASN 74 64.185 -0.743 -8.298 562 H HIS 75 HN HIS 75 62.783 4.042 -5.949 563 HA HIS 75 HA HIS 75 63.838 6.638 -5.922 564 HD1 HIS 75 HD1 HIS 75 62.487 7.724 -2.243 565 HD2 HIS 75 HD2 HIS 75 61.573 8.525 -6.233 566 HE1 HIS 75 HE1 HIS 75 62.081 10.219 -2.397 567 HE2 HIS 75 HE2 HIS 75 61.523 10.720 -4.821 568 HB2 HIS 75 HB2 HIS 75 61.489 5.767 -5.199 569 HB3 HIS 75 HB1 HIS 75 62.213 5.612 -3.598 570 H1U RCY 76 H1U RCY 76 73.242 3.979 -1.453 571 H1S RCY 76 H1S RCY 76 69.768 5.853 -2.262 572 HB1 RCY 76 HB1 RCY 76 68.298 7.344 -2.727 573 HB2 RCY 76 HB2 RCY 76 67.522 7.041 -4.282 574 HA RCY 76 HA RCY 76 65.931 6.472 -1.819 575 HN1 RCY 76 HN1 RCY 76 64.699 7.876 -4.029 576 H GLU 77 HN GLU 77 66.543 7.951 -0.233 577 HA GLU 77 HA GLU 77 65.510 10.567 -0.277 578 HB2 GLU 77 HB2 GLU 77 67.015 11.004 1.660 579 HB3 GLU 77 HB1 GLU 77 66.166 9.465 1.809 580 HG2 GLU 77 HG2 GLU 77 68.162 8.301 0.891 581 HG3 GLU 77 HG1 GLU 77 69.012 9.845 0.831 582 H LEU 78 HN LEU 78 66.906 12.619 -0.100 583 HA LEU 78 HA LEU 78 68.356 14.130 -1.148 584 HG LEU 78 HG LEU 78 70.482 14.650 -0.632 585 HB2 LEU 78 HB2 LEU 78 69.912 11.675 -0.730 586 HB3 LEU 78 HB1 LEU 78 70.487 12.601 -2.114 587 HD11 LEU 78 HD11 LEU 78 68.885 13.523 1.036 588 HD12 LEU 78 HD12 LEU 78 70.237 14.422 1.724 589 HD13 LEU 78 HD13 LEU 78 70.302 12.662 1.637 590 HD21 LEU 78 HD21 LEU 78 72.214 12.337 0.297 591 HD22 LEU 78 HD22 LEU 78 72.579 14.051 0.493 592 HD23 LEU 78 HD23 LEU 78 72.540 13.337 -1.119 593 H HIS 79 HN HIS 79 68.452 14.989 -3.209 594 HA HIS 79 HA HIS 79 68.353 13.199 -5.550 595 HD1 HIS 79 HD1 HIS 79 65.987 11.971 -6.943 596 HD2 HIS 79 HD2 HIS 79 65.176 13.001 -2.983 597 HE1 HIS 79 HE1 HIS 79 64.792 9.987 -5.918 598 HE2 HIS 79 HE2 HIS 79 64.292 10.601 -3.507 599 HB2 HIS 79 HB2 HIS 79 66.083 15.031 -4.756 600 HB3 HIS 79 HB1 HIS 79 66.321 14.504 -6.422 601 H GLU 80 HN GLU 80 70.499 14.453 -5.490 602 HA GLU 80 HA GLU 80 70.146 16.987 -7.040 603 HB2 GLU 80 HB2 GLU 80 72.299 16.515 -4.955 604 HB3 GLU 80 HB1 GLU 80 71.996 18.005 -5.849 605 HG2 GLU 80 HG2 GLU 80 69.688 18.047 -4.816 606 HG3 GLU 80 HG1 GLU 80 70.197 16.709 -3.785 607 H LEU 81 HN LEU 81 72.481 14.453 -6.083 608 HA LEU 81 HA LEU 81 73.841 14.799 -8.707 609 HG LEU 81 HG LEU 81 74.041 14.774 -5.350 610 HB2 LEU 81 HB2 LEU 81 75.283 12.874 -7.362 611 HB3 LEU 81 HB1 LEU 81 75.630 14.600 -7.313 612 HD11 LEU 81 HD11 LEU 81 72.706 12.818 -5.567 613 HD12 LEU 81 HD12 LEU 81 73.722 12.517 -4.157 614 HD13 LEU 81 HD13 LEU 81 74.121 11.774 -5.706 615 HD21 LEU 81 HD21 LEU 81 76.394 12.889 -4.995 616 HD22 LEU 81 HD22 LEU 81 75.667 13.893 -3.740 617 HD23 LEU 81 HD23 LEU 81 76.516 14.645 -5.091 618 H ALA 82 HN ALA 82 71.763 12.624 -6.957 619 HA ALA 82 HA ALA 82 72.297 10.262 -8.526 620 HB1 ALA 82 HB1 ALA 82 71.143 10.227 -6.313 621 HB2 ALA 82 HB2 ALA 82 70.223 9.399 -7.569 622 HB3 ALA 82 HB3 ALA 82 69.755 11.021 -7.057 623 H GLN 83 HN GLN 83 69.220 12.072 -8.533 624 HA GLN 83 HA GLN 83 67.730 12.490 -10.299 625 HB2 GLN 83 HB2 GLN 83 70.392 12.906 -11.691 626 HB3 GLN 83 HB1 GLN 83 68.833 13.337 -12.395 627 HG2 GLN 83 HG2 GLN 83 68.412 14.723 -10.296 628 HG3 GLN 83 HG1 GLN 83 70.114 14.475 -9.902 629 HE21 GLN 83 HE21 GLN 83 68.656 14.998 -13.144 630 HE22 GLN 83 HE22 GLN 83 69.520 16.422 -13.471 631 H TYR 84 HN TYR 84 69.363 9.737 -10.064 632 HA TYR 84 HA TYR 84 69.275 7.667 -11.153 633 HD1 TYR 84 HD1 TYR 84 67.611 5.530 -11.188 634 HD2 TYR 84 HD2 TYR 84 66.766 8.028 -14.578 635 HE1 TYR 84 HE1 TYR 84 67.408 3.516 -12.621 636 HE2 TYR 84 HE2 TYR 84 66.564 6.015 -16.012 637 HH TYR 84 HH TYR 84 66.314 3.743 -15.963 638 HB2 TYR 84 HB2 TYR 84 66.862 7.942 -10.961 639 HB3 TYR 84 HB1 TYR 84 66.830 8.966 -12.397 640 H GLY 85 HN GLY 85 70.697 7.061 -12.692 641 HA2 GLY 85 HA2 GLY 85 71.013 6.888 -15.198 642 HA3 GLY 85 HA1 GLY 85 70.778 8.636 -15.239 643 H ILE 86 HN ILE 86 72.336 8.825 -12.629 644 HA ILE 86 HA ILE 86 75.008 7.879 -13.142 645 HB ILE 86 HB ILE 86 74.877 9.563 -14.951 646 HG12 ILE 86 HG12 ILE 86 76.608 10.611 -12.699 647 HG13 ILE 86 HG11 ILE 86 76.993 9.136 -13.586 648 HG21 ILE 86 HG21 ILE 86 74.575 11.630 -12.765 649 HG22 ILE 86 HG22 ILE 86 73.190 10.985 -13.647 650 HG23 ILE 86 HG23 ILE 86 74.451 11.867 -14.508 651 HD11 ILE 86 HD11 ILE 86 78.114 11.224 -14.479 652 HD12 ILE 86 HD12 ILE 86 76.512 11.805 -14.934 653 HD13 ILE 86 HD13 ILE 86 77.159 10.337 -15.666 654 H1U RCY 87 H1U RCY 87 78.386 3.757 -5.758 655 H1S RCY 87 H1S RCY 87 78.554 7.311 -7.668 656 HB1 RCY 87 HB1 RCY 87 78.128 9.222 -9.570 657 HB2 RCY 87 HB2 RCY 87 77.209 7.779 -9.144 658 HA RCY 87 HA RCY 87 75.156 9.192 -8.964 659 HN1 RCY 87 HN1 RCY 87 76.520 8.679 -11.485 Start of MODEL 12 1 HA MET 1 HA MET 1 66.483 7.332 18.256 2 HB2 MET 1 HB2 MET 1 64.286 6.607 19.558 3 HB3 MET 1 HB1 MET 1 65.813 6.796 20.418 4 HG2 MET 1 HG2 MET 1 63.912 7.941 21.567 5 HG3 MET 1 HG1 MET 1 65.199 9.054 21.103 6 HE1 MET 1 HE1 MET 1 61.885 7.388 19.900 7 HE2 MET 1 HE2 MET 1 60.902 8.836 19.699 8 HE3 MET 1 HE3 MET 1 61.612 8.471 21.270 9 H ASN 2 HN ASN 2 65.904 8.986 16.289 10 HA ASN 2 HA ASN 2 63.162 9.410 15.634 11 HB2 ASN 2 HB2 ASN 2 65.092 10.487 14.463 12 HB3 ASN 2 HB1 ASN 2 65.462 8.934 13.714 13 HD21 ASN 2 HD21 ASN 2 64.332 8.418 11.812 14 HD22 ASN 2 HD22 ASN 2 62.999 9.290 11.224 15 H LEU 3 HN LEU 3 61.744 8.170 14.299 16 HA LEU 3 HA LEU 3 60.837 6.212 13.379 17 HG LEU 3 HG LEU 3 62.760 4.071 11.245 18 HB2 LEU 3 HB2 LEU 3 63.353 6.194 12.429 19 HB3 LEU 3 HB1 LEU 3 63.463 4.781 13.474 20 HD11 LEU 3 HD11 LEU 3 61.720 3.074 13.368 21 HD12 LEU 3 HD12 LEU 3 60.839 2.805 11.864 22 HD13 LEU 3 HD13 LEU 3 60.295 4.043 12.995 23 HD21 LEU 3 HD21 LEU 3 61.552 6.510 11.069 24 HD22 LEU 3 HD22 LEU 3 60.156 5.478 11.384 25 HD23 LEU 3 HD23 LEU 3 61.191 5.161 9.991 26 H GLU 4 HN GLU 4 59.584 5.216 14.886 27 HA GLU 4 HA GLU 4 60.271 4.512 17.494 28 HB2 GLU 4 HB2 GLU 4 58.357 2.949 15.739 29 HB3 GLU 4 HB1 GLU 4 58.324 3.064 17.499 30 HG2 GLU 4 HG2 GLU 4 57.948 5.385 15.582 31 HG3 GLU 4 HG1 GLU 4 56.659 4.579 16.478 32 HA PRO 5 HA PRO 5 63.174 1.178 17.535 33 HB2 PRO 5 HB2 PRO 5 61.065 -0.274 19.102 34 HB3 PRO 5 HB1 PRO 5 62.796 -0.093 19.448 35 HG2 PRO 5 HG2 PRO 5 60.928 1.366 20.699 36 HG3 PRO 5 HG1 PRO 5 62.540 1.999 20.333 37 HD2 PRO 5 HD2 PRO 5 59.942 2.732 19.136 38 HD3 PRO 5 HD1 PRO 5 61.477 3.627 19.128 39 HA PRO 6 HA PRO 6 61.767 -1.632 14.381 40 HB2 PRO 6 HB2 PRO 6 63.576 -3.649 14.617 41 HB3 PRO 6 HB1 PRO 6 64.016 -2.045 13.998 42 HG2 PRO 6 HG2 PRO 6 64.439 -3.198 16.710 43 HG3 PRO 6 HG1 PRO 6 65.517 -2.189 15.731 44 HD2 PRO 6 HD2 PRO 6 63.983 -1.208 17.797 45 HD3 PRO 6 HD1 PRO 6 64.517 -0.224 16.417 46 H LYS 7 HN LYS 7 60.386 -3.413 14.144 47 HA LYS 7 HA LYS 7 59.636 -4.823 16.663 48 HB2 LYS 7 HB2 LYS 7 58.176 -4.625 14.010 49 HB3 LYS 7 HB1 LYS 7 57.559 -5.404 15.467 50 HG2 LYS 7 HG2 LYS 7 57.544 -3.308 16.666 51 HG3 LYS 7 HG1 LYS 7 58.379 -2.491 15.344 52 HD2 LYS 7 HD2 LYS 7 55.790 -3.879 14.758 53 HD3 LYS 7 HD1 LYS 7 55.744 -2.318 15.579 54 HE2 LYS 7 HE2 LYS 7 57.150 -1.353 13.766 55 HE3 LYS 7 HE1 LYS 7 57.097 -2.905 12.929 56 HZ1 LYS 7 HZ1 LYS 7 54.665 -1.399 13.706 57 HZ2 LYS 7 HZ2 LYS 7 54.772 -2.732 12.658 58 HZ3 LYS 7 HZ3 LYS 7 55.413 -1.229 12.192 59 H ALA 8 HN ALA 8 58.315 -6.925 14.941 60 HA ALA 8 HA ALA 8 60.404 -8.869 15.015 61 HB1 ALA 8 HB1 ALA 8 58.830 -10.284 13.699 62 HB2 ALA 8 HB2 ALA 8 57.800 -8.873 13.457 63 HB3 ALA 8 HB3 ALA 8 58.044 -9.519 15.081 64 H GLU 9 HN GLU 9 62.224 -8.344 13.807 65 HA GLU 9 HA GLU 9 61.919 -8.496 10.874 66 HB2 GLU 9 HB2 GLU 9 61.774 -6.046 11.543 67 HB3 GLU 9 HB1 GLU 9 63.434 -6.190 12.123 68 HG2 GLU 9 HG2 GLU 9 63.589 -5.371 9.881 69 HG3 GLU 9 HG1 GLU 9 64.030 -7.077 9.807 70 H1U RCY 10 H1U RCY 10 61.226 -17.003 12.801 71 H1S RCY 10 H1S RCY 10 64.667 -14.240 11.643 72 HB1 RCY 10 HB1 RCY 10 65.539 -11.077 12.705 73 HB2 RCY 10 HB2 RCY 10 66.241 -12.064 11.423 74 HA RCY 10 HA RCY 10 66.331 -9.466 11.188 75 HN1 RCY 10 HN1 RCY 10 63.729 -9.428 9.921 76 H ARG 11 HN ARG 11 65.390 -12.417 9.672 77 HA ARG 11 HA ARG 11 65.713 -11.599 6.926 78 HE ARG 11 HE ARG 11 69.890 -10.613 6.659 79 HB2 ARG 11 HB2 ARG 11 68.073 -11.349 7.960 80 HB3 ARG 11 HB1 ARG 11 68.087 -13.111 8.022 81 HG2 ARG 11 HG2 ARG 11 69.014 -12.776 5.923 82 HG3 ARG 11 HG1 ARG 11 67.306 -12.868 5.493 83 HD2 ARG 11 HD2 ARG 11 68.098 -10.919 4.393 84 HD3 ARG 11 HD1 ARG 11 67.260 -10.317 5.823 85 HH11 ARG 11 HH21 ARG 11 68.231 -9.037 4.080 86 HH12 ARG 11 HH22 ARG 11 69.382 -7.750 3.949 87 HH21 ARG 11 HH11 ARG 11 71.402 -8.941 6.503 88 HH22 ARG 11 HH12 ARG 11 71.178 -7.695 5.321 89 H SER 12 HN SER 12 63.879 -13.013 6.771 90 HA SER 12 HA SER 12 64.532 -15.751 6.158 91 HG SER 12 HG SER 12 61.745 -16.157 8.541 92 HB2 SER 12 HB2 SER 12 63.597 -16.924 7.957 93 HB3 SER 12 HB1 SER 12 64.418 -15.596 8.772 94 H ALA 13 HN ALA 13 62.302 -13.143 6.542 95 HA ALA 13 HA ALA 13 60.636 -14.209 4.389 96 HB1 ALA 13 HB1 ALA 13 58.523 -14.064 5.743 97 HB2 ALA 13 HB2 ALA 13 59.517 -13.885 7.189 98 HB3 ALA 13 HB3 ALA 13 59.592 -15.373 6.246 99 H THR 14 HN THR 14 59.318 -12.068 6.822 100 HA THR 14 HA THR 14 58.676 -9.816 6.651 101 HB THR 14 HB THR 14 61.239 -9.425 5.099 102 HG1 THR 14 HG1 THR 14 61.081 -9.492 7.909 103 HG21 THR 14 HG21 THR 14 61.249 -7.275 6.142 104 HG22 THR 14 HG22 THR 14 59.992 -7.748 7.285 105 HG23 THR 14 HG23 THR 14 59.597 -7.532 5.579 106 H ARG 15 HN ARG 15 57.451 -11.360 4.732 107 HA ARG 15 HA ARG 15 56.395 -11.239 2.641 108 HE ARG 15 HE ARG 15 53.573 -9.130 2.982 109 HB2 ARG 15 HB2 ARG 15 55.717 -9.035 3.602 110 HB3 ARG 15 HB1 ARG 15 57.141 -8.307 2.861 111 HG2 ARG 15 HG2 ARG 15 56.343 -8.687 0.670 112 HG3 ARG 15 HG1 ARG 15 55.159 -9.875 1.215 113 HD2 ARG 15 HD2 ARG 15 55.043 -6.981 2.080 114 HD3 ARG 15 HD1 ARG 15 54.243 -7.557 0.617 115 HH11 ARG 15 HH21 ARG 15 52.927 -6.330 1.077 116 HH12 ARG 15 HH22 ARG 15 51.282 -6.190 1.600 117 HH21 ARG 15 HH11 ARG 15 51.428 -8.964 3.677 118 HH22 ARG 15 HH12 ARG 15 50.433 -7.682 3.072 119 H VAL 16 HN VAL 16 56.800 -10.640 0.284 120 HA VAL 16 HA VAL 16 59.742 -10.527 -0.284 121 HB VAL 16 HB VAL 16 59.228 -12.000 -2.259 122 HG11 VAL 16 HG11 VAL 16 59.016 -14.072 -0.915 123 HG12 VAL 16 HG12 VAL 16 58.532 -13.107 0.479 124 HG13 VAL 16 HG13 VAL 16 60.157 -12.943 -0.185 125 HG21 VAL 16 HG21 VAL 16 56.806 -11.478 -2.373 126 HG22 VAL 16 HG22 VAL 16 56.565 -12.302 -0.832 127 HG23 VAL 16 HG23 VAL 16 57.086 -13.215 -2.249 128 H MET 17 HN MET 17 60.276 -9.532 -2.365 129 HA MET 17 HA MET 17 58.152 -8.166 -3.852 130 HB2 MET 17 HB2 MET 17 59.269 -5.897 -3.458 131 HB3 MET 17 HB1 MET 17 58.328 -6.541 -2.112 132 HG2 MET 17 HG2 MET 17 61.286 -7.085 -2.346 133 HG3 MET 17 HG1 MET 17 60.687 -5.611 -1.586 134 HE1 MET 17 HE1 MET 17 61.904 -8.294 1.135 135 HE2 MET 17 HE2 MET 17 62.158 -6.636 0.594 136 HE3 MET 17 HE3 MET 17 62.481 -7.974 -0.506 137 H GLY 18 HN GLY 18 60.634 -9.988 -4.116 138 HA2 GLY 18 HA2 GLY 18 62.409 -8.406 -5.836 139 HA3 GLY 18 HA1 GLY 18 62.555 -10.133 -5.508 140 H GLY 19 HN GLY 19 59.385 -9.607 -6.293 141 HA2 GLY 19 HA2 GLY 19 59.783 -10.734 -8.979 142 HA3 GLY 19 HA1 GLY 19 58.231 -10.500 -8.174 143 HA PRO 20 HA PRO 20 57.101 -6.697 -10.067 144 HB2 PRO 20 HB2 PRO 20 58.109 -5.174 -7.685 145 HB3 PRO 20 HB1 PRO 20 56.559 -5.032 -8.538 146 HG2 PRO 20 HG2 PRO 20 56.774 -6.323 -6.210 147 HG3 PRO 20 HG1 PRO 20 55.654 -6.850 -7.476 148 HD2 PRO 20 HD2 PRO 20 58.169 -8.122 -6.561 149 HD3 PRO 20 HD1 PRO 20 56.783 -8.844 -7.407 150 H1U RCY 21 H1U RCY 21 57.637 -3.054 -4.498 151 H1S RCY 21 H1S RCY 21 59.890 -3.991 -8.203 152 HB1 RCY 21 HB1 RCY 21 63.526 -5.337 -9.312 153 HB2 RCY 21 HB2 RCY 21 62.623 -6.510 -8.354 154 HA RCY 21 HA RCY 21 61.307 -4.690 -10.383 155 HN1 RCY 21 HN1 RCY 21 60.319 -6.939 -8.728 156 H THR 22 HN THR 22 62.264 -5.011 -12.343 157 HA THR 22 HA THR 22 63.346 -7.698 -13.002 158 HB THR 22 HB THR 22 62.182 -7.415 -15.301 159 HG1 THR 22 HG1 THR 22 61.381 -5.389 -15.142 160 HG21 THR 22 HG21 THR 22 61.579 -9.123 -13.600 161 HG22 THR 22 HG22 THR 22 60.169 -8.541 -14.484 162 HG23 THR 22 HG23 THR 22 60.485 -7.961 -12.849 163 HA PRO 23 HA PRO 23 66.831 -5.680 -14.806 164 HB2 PRO 23 HB2 PRO 23 65.960 -7.005 -17.358 165 HB3 PRO 23 HB1 PRO 23 67.575 -6.928 -16.627 166 HG2 PRO 23 HG2 PRO 23 66.017 -9.104 -16.435 167 HG3 PRO 23 HG1 PRO 23 67.133 -8.617 -15.150 168 HD2 PRO 23 HD2 PRO 23 64.185 -8.554 -15.164 169 HD3 PRO 23 HD1 PRO 23 65.304 -8.479 -13.786 170 H ARG 24 HN ARG 24 65.796 -3.543 -14.676 171 HA ARG 24 HA ARG 24 64.633 -2.600 -17.272 172 HE ARG 24 HE ARG 24 61.066 1.616 -16.392 173 HB2 ARG 24 HB2 ARG 24 63.270 -2.439 -15.081 174 HB3 ARG 24 HB1 ARG 24 64.399 -1.164 -14.624 175 HG2 ARG 24 HG2 ARG 24 63.828 0.116 -16.621 176 HG3 ARG 24 HG1 ARG 24 62.780 -1.185 -17.189 177 HD2 ARG 24 HD2 ARG 24 61.468 -0.910 -15.025 178 HD3 ARG 24 HD1 ARG 24 62.392 0.567 -14.752 179 HH11 ARG 24 HH21 ARG 24 60.959 -1.820 -16.649 180 HH12 ARG 24 HH22 ARG 24 59.748 -1.823 -17.888 181 HH21 ARG 24 HH11 ARG 24 59.486 1.632 -18.008 182 HH22 ARG 24 HH12 ARG 24 58.914 0.132 -18.657 183 H LYS 25 HN LYS 25 67.393 -2.820 -17.160 184 HA LYS 25 HA LYS 25 68.469 -0.165 -16.413 185 HB2 LYS 25 HB2 LYS 25 70.639 -1.213 -17.274 186 HB3 LYS 25 HB1 LYS 25 69.927 -1.968 -15.848 187 HG2 LYS 25 HG2 LYS 25 69.039 -3.007 -18.494 188 HG3 LYS 25 HG1 LYS 25 70.687 -3.397 -18.001 189 HD2 LYS 25 HD2 LYS 25 68.464 -3.751 -16.021 190 HD3 LYS 25 HD1 LYS 25 68.682 -4.964 -17.284 191 HE2 LYS 25 HE2 LYS 25 70.938 -5.406 -16.585 192 HE3 LYS 25 HE1 LYS 25 70.936 -4.017 -15.499 193 HZ1 LYS 25 HZ1 LYS 25 68.866 -5.301 -14.529 194 HZ2 LYS 25 HZ2 LYS 25 70.450 -5.646 -14.022 195 HZ3 LYS 25 HZ3 LYS 25 69.689 -6.638 -15.172 196 H GLY 26 HN GLY 26 70.254 0.484 -18.282 197 HA2 GLY 26 HA2 GLY 26 69.591 0.092 -21.009 198 HA3 GLY 26 HA1 GLY 26 68.702 1.509 -20.449 199 HA PRO 27 HA PRO 27 73.095 2.564 -22.018 200 HB2 PRO 27 HB2 PRO 27 71.385 4.810 -23.023 201 HB3 PRO 27 HB1 PRO 27 72.735 3.979 -23.821 202 HG2 PRO 27 HG2 PRO 27 70.201 3.489 -24.485 203 HG3 PRO 27 HG1 PRO 27 71.432 2.215 -24.489 204 HD2 PRO 27 HD2 PRO 27 69.194 2.657 -22.576 205 HD3 PRO 27 HD1 PRO 27 70.016 1.147 -23.023 206 HA PRO 28 HA PRO 28 74.243 5.299 -18.735 207 HB2 PRO 28 HB2 PRO 28 74.948 7.280 -20.879 208 HB3 PRO 28 HB1 PRO 28 75.893 6.769 -19.466 209 HG2 PRO 28 HG2 PRO 28 76.390 5.833 -21.926 210 HG3 PRO 28 HG1 PRO 28 76.613 4.844 -20.475 211 HD2 PRO 28 HD2 PRO 28 74.562 4.605 -22.589 212 HD3 PRO 28 HD1 PRO 28 75.099 3.399 -21.400 213 H LYS 29 HN LYS 29 73.241 6.937 -17.526 214 HA LYS 29 HA LYS 29 71.486 8.888 -18.863 215 HB2 LYS 29 HB2 LYS 29 69.537 8.204 -17.392 216 HB3 LYS 29 HB1 LYS 29 69.934 7.056 -18.671 217 HG2 LYS 29 HG2 LYS 29 71.124 5.635 -17.121 218 HG3 LYS 29 HG1 LYS 29 70.977 6.833 -15.835 219 HD2 LYS 29 HD2 LYS 29 69.276 5.204 -15.416 220 HD3 LYS 29 HD1 LYS 29 68.450 6.610 -16.089 221 HE2 LYS 29 HE2 LYS 29 68.202 5.590 -18.213 222 HE3 LYS 29 HE1 LYS 29 69.406 4.352 -17.851 223 HZ1 LYS 29 HZ1 LYS 29 66.602 4.458 -17.163 224 HZ2 LYS 29 HZ2 LYS 29 67.618 3.977 -15.889 225 HZ3 LYS 29 HZ3 LYS 29 67.624 3.117 -17.354 226 H1U RCY 30 H1U RCY 30 68.795 13.001 -12.456 227 H1S RCY 30 H1S RCY 30 71.615 9.821 -13.525 228 HB1 RCY 30 HB1 RCY 30 74.948 9.052 -14.390 229 HB2 RCY 30 HB2 RCY 30 73.264 8.534 -14.340 230 HA RCY 30 HA RCY 30 72.798 10.977 -15.221 231 HN1 RCY 30 HN1 RCY 30 73.844 9.260 -17.360 232 H LYS 31 HN LYS 31 74.705 12.217 -14.201 233 HA LYS 31 HA LYS 31 76.502 13.025 -16.394 234 HB2 LYS 31 HB2 LYS 31 77.085 14.433 -13.962 235 HB3 LYS 31 HB1 LYS 31 76.299 15.049 -15.413 236 HG2 LYS 31 HG2 LYS 31 74.129 14.163 -14.599 237 HG3 LYS 31 HG1 LYS 31 74.925 13.605 -13.127 238 HD2 LYS 31 HD2 LYS 31 74.268 15.650 -12.338 239 HD3 LYS 31 HD1 LYS 31 75.746 16.184 -13.140 240 HE2 LYS 31 HE2 LYS 31 72.905 16.354 -14.148 241 HE3 LYS 31 HE1 LYS 31 74.077 17.658 -13.951 242 HZ1 LYS 31 HZ1 LYS 31 75.311 16.916 -15.774 243 HZ2 LYS 31 HZ2 LYS 31 73.695 16.801 -16.285 244 HZ3 LYS 31 HZ3 LYS 31 74.540 15.405 -15.811 245 H GLN 32 HN GLN 32 76.595 10.865 -13.788 246 HA GLN 32 HA GLN 32 79.425 10.330 -14.250 247 HB2 GLN 32 HB2 GLN 32 78.624 12.068 -12.066 248 HB3 GLN 32 HB1 GLN 32 79.375 10.605 -11.434 249 HG2 GLN 32 HG2 GLN 32 80.580 12.319 -13.626 250 HG3 GLN 32 HG1 GLN 32 81.021 12.438 -11.922 251 HE21 GLN 32 HE21 GLN 32 80.890 9.587 -11.328 252 HE22 GLN 32 HE22 GLN 32 82.180 8.842 -12.141 253 H ARG 33 HN ARG 33 79.841 8.190 -13.801 254 HA ARG 33 HA ARG 33 78.281 6.707 -11.831 255 HE ARG 33 HE ARG 33 75.341 4.148 -10.523 256 HB2 ARG 33 HB2 ARG 33 76.841 6.858 -13.965 257 HB3 ARG 33 HB1 ARG 33 78.046 5.807 -14.708 258 HG2 ARG 33 HG2 ARG 33 76.594 4.203 -13.888 259 HG3 ARG 33 HG1 ARG 33 77.652 4.383 -12.489 260 HD2 ARG 33 HD2 ARG 33 76.058 6.114 -11.596 261 HD3 ARG 33 HD1 ARG 33 74.965 5.715 -12.921 262 HH11 ARG 33 HH21 ARG 33 74.787 4.025 -13.923 263 HH12 ARG 33 HH22 ARG 33 73.959 2.504 -13.868 264 HH21 ARG 33 HH11 ARG 33 74.264 2.163 -10.431 265 HH22 ARG 33 HH12 ARG 33 73.663 1.450 -11.891 266 H GLN 34 HN GLN 34 80.910 7.116 -13.965 267 HA GLN 34 HA GLN 34 82.217 4.707 -12.806 268 HB2 GLN 34 HB2 GLN 34 81.243 4.325 -15.195 269 HB3 GLN 34 HB1 GLN 34 82.570 5.355 -15.732 270 HG2 GLN 34 HG2 GLN 34 83.401 3.118 -15.850 271 HG3 GLN 34 HG1 GLN 34 84.119 3.818 -14.398 272 HE21 GLN 34 HE21 GLN 34 83.922 2.525 -12.569 273 HE22 GLN 34 HE22 GLN 34 82.714 1.359 -12.322 274 H THR 35 HN THR 35 84.313 5.473 -15.043 275 HA THR 35 HA THR 35 86.365 6.621 -14.934 276 HB THR 35 HB THR 35 86.141 9.030 -14.905 277 HG1 THR 35 HG1 THR 35 84.902 9.401 -13.145 278 HG21 THR 35 HG21 THR 35 84.238 9.331 -16.483 279 HG22 THR 35 HG22 THR 35 83.681 7.707 -16.082 280 HG23 THR 35 HG23 THR 35 85.233 7.933 -16.889 281 H ARG 36 HN ARG 36 85.282 5.371 -12.403 282 HA ARG 36 HA ARG 36 86.878 7.008 -10.465 283 HE ARG 36 HE ARG 36 82.342 7.034 -8.793 284 HB2 ARG 36 HB2 ARG 36 85.370 6.375 -8.706 285 HB3 ARG 36 HB1 ARG 36 84.374 6.957 -10.040 286 HG2 ARG 36 HG2 ARG 36 84.354 4.439 -10.774 287 HG3 ARG 36 HG1 ARG 36 84.802 4.135 -9.095 288 HD2 ARG 36 HD2 ARG 36 82.247 5.161 -10.217 289 HD3 ARG 36 HD1 ARG 36 82.528 4.141 -8.806 290 HH11 ARG 36 HH21 ARG 36 83.830 4.265 -7.380 291 HH12 ARG 36 HH22 ARG 36 84.106 5.028 -5.850 292 HH21 ARG 36 HH11 ARG 36 82.692 8.048 -6.803 293 HH22 ARG 36 HH12 ARG 36 83.461 7.170 -5.523 294 H GLN 37 HN GLN 37 86.462 4.016 -12.047 295 HA GLN 37 HA GLN 37 87.494 1.923 -11.773 296 HB2 GLN 37 HB2 GLN 37 89.587 3.683 -10.458 297 HB3 GLN 37 HB1 GLN 37 89.850 2.041 -11.047 298 HG2 GLN 37 HG2 GLN 37 89.399 2.710 -13.323 299 HG3 GLN 37 HG1 GLN 37 88.887 4.315 -12.801 300 HE21 GLN 37 HE21 GLN 37 90.913 4.348 -14.634 301 HE22 GLN 37 HE22 GLN 37 92.405 4.691 -13.901 302 H1U RCY 38 H1U RCY 38 79.946 -3.689 -5.363 303 H1S RCY 38 H1S RCY 38 83.259 -1.186 -7.719 304 HB1 RCY 38 HB1 RCY 38 84.095 0.317 -8.655 305 HB2 RCY 38 HB2 RCY 38 84.279 1.935 -7.978 306 HA RCY 38 HA RCY 38 86.620 1.397 -7.364 307 HN1 RCY 38 HN1 RCY 38 85.850 1.220 -10.232 308 H LYS 39 HN LYS 39 88.329 -0.203 -8.863 309 HA LYS 39 HA LYS 39 87.562 -2.954 -9.010 310 HB2 LYS 39 HB2 LYS 39 90.006 -3.403 -9.073 311 HB3 LYS 39 HB1 LYS 39 89.545 -2.104 -10.172 312 HG2 LYS 39 HG2 LYS 39 90.083 -0.517 -8.194 313 HG3 LYS 39 HG1 LYS 39 90.936 -1.899 -7.504 314 HD2 LYS 39 HD2 LYS 39 91.459 -0.640 -10.214 315 HD3 LYS 39 HD1 LYS 39 92.504 -0.538 -8.796 316 HE2 LYS 39 HE2 LYS 39 92.576 -3.096 -8.845 317 HE3 LYS 39 HE1 LYS 39 91.849 -2.985 -10.448 318 HZ1 LYS 39 HZ1 LYS 39 94.315 -1.523 -9.701 319 HZ2 LYS 39 HZ2 LYS 39 93.685 -1.785 -11.258 320 HZ3 LYS 39 HZ3 LYS 39 94.343 -3.080 -10.376 321 H SER 40 HN SER 40 90.054 -3.752 -7.362 322 HA SER 40 HA SER 40 88.594 -4.463 -4.969 323 HG SER 40 HG SER 40 89.409 -5.999 -6.439 324 HB2 SER 40 HB2 SER 40 91.536 -4.671 -5.661 325 HB3 SER 40 HB1 SER 40 90.809 -5.358 -4.211 326 H LYS 41 HN LYS 41 88.578 -1.647 -5.236 327 HA LYS 41 HA LYS 41 90.496 -0.115 -3.967 328 HB2 LYS 41 HB2 LYS 41 87.565 0.004 -4.219 329 HB3 LYS 41 HB1 LYS 41 88.180 0.858 -2.805 330 HG2 LYS 41 HG2 LYS 41 89.797 2.059 -4.271 331 HG3 LYS 41 HG1 LYS 41 89.086 1.258 -5.673 332 HD2 LYS 41 HD2 LYS 41 86.956 2.317 -5.294 333 HD3 LYS 41 HD1 LYS 41 87.486 2.946 -3.733 334 HE2 LYS 41 HE2 LYS 41 88.928 3.662 -6.285 335 HE3 LYS 41 HE1 LYS 41 87.523 4.576 -5.736 336 HZ1 LYS 41 HZ1 LYS 41 88.610 5.198 -3.777 337 HZ2 LYS 41 HZ2 LYS 41 89.779 5.397 -4.994 338 HZ3 LYS 41 HZ3 LYS 41 89.836 4.041 -3.972 339 HA PRO 42 HA PRO 42 90.454 -2.399 -0.034 340 HB2 PRO 42 HB2 PRO 42 92.956 -1.691 0.780 341 HB3 PRO 42 HB1 PRO 42 92.660 -2.964 -0.418 342 HG2 PRO 42 HG2 PRO 42 93.593 -0.181 -0.810 343 HG3 PRO 42 HG1 PRO 42 93.990 -1.647 -1.718 344 HD2 PRO 42 HD2 PRO 42 92.161 0.317 -2.528 345 HD3 PRO 42 HD1 PRO 42 92.265 -1.330 -3.186 346 HA PRO 43 HA PRO 43 89.405 0.865 2.774 347 HB2 PRO 43 HB2 PRO 43 90.001 -0.246 5.193 348 HB3 PRO 43 HB1 PRO 43 88.636 -0.787 4.196 349 HG2 PRO 43 HG2 PRO 43 91.333 -2.005 4.517 350 HG3 PRO 43 HG1 PRO 43 89.746 -2.786 4.412 351 HD2 PRO 43 HD2 PRO 43 91.481 -2.632 2.291 352 HD3 PRO 43 HD1 PRO 43 89.715 -2.717 2.100 353 H LYS 44 HN LYS 44 90.296 2.590 3.995 354 HA LYS 44 HA LYS 44 92.032 4.125 4.442 355 HB2 LYS 44 HB2 LYS 44 93.095 1.604 5.749 356 HB3 LYS 44 HB1 LYS 44 93.677 3.237 6.074 357 HG2 LYS 44 HG2 LYS 44 91.247 3.825 6.646 358 HG3 LYS 44 HG1 LYS 44 90.943 2.088 6.658 359 HD2 LYS 44 HD2 LYS 44 92.716 1.793 8.356 360 HD3 LYS 44 HD1 LYS 44 92.999 3.534 8.357 361 HE2 LYS 44 HE2 LYS 44 90.506 3.776 8.924 362 HE3 LYS 44 HE1 LYS 44 90.532 2.047 9.271 363 HZ1 LYS 44 HZ1 LYS 44 92.717 3.454 10.474 364 HZ2 LYS 44 HZ2 LYS 44 91.596 2.388 11.177 365 HZ3 LYS 44 HZ3 LYS 44 91.213 4.034 11.001 366 H LYS 45 HN LYS 45 92.531 3.993 2.025 367 HA LYS 45 HA LYS 45 95.339 3.906 1.604 368 HB2 LYS 45 HB2 LYS 45 95.265 1.515 1.748 369 HB3 LYS 45 HB1 LYS 45 93.811 1.434 0.758 370 HG2 LYS 45 HG2 LYS 45 95.920 0.831 -0.482 371 HG3 LYS 45 HG1 LYS 45 95.024 2.169 -1.204 372 HD2 LYS 45 HD2 LYS 45 96.540 3.785 -0.373 373 HD3 LYS 45 HD1 LYS 45 97.235 2.657 0.792 374 HE2 LYS 45 HE2 LYS 45 98.780 2.937 -1.078 375 HE3 LYS 45 HE1 LYS 45 98.123 1.300 -1.103 376 HZ1 LYS 45 HZ1 LYS 45 96.875 1.724 -2.937 377 HZ2 LYS 45 HZ2 LYS 45 98.155 2.797 -3.242 378 HZ3 LYS 45 HZ3 LYS 45 96.696 3.375 -2.591 379 H GLY 46 HN GLY 46 92.476 2.894 -0.311 380 HA2 GLY 46 HA2 GLY 46 93.298 4.531 -2.569 381 HA3 GLY 46 HA1 GLY 46 91.764 3.671 -2.421 382 H VAL 47 HN VAL 47 92.933 5.936 0.001 383 HA VAL 47 HA VAL 47 90.537 7.375 0.228 384 HB VAL 47 HB VAL 47 92.049 9.264 1.087 385 HG11 VAL 47 HG11 VAL 47 91.054 7.481 2.518 386 HG12 VAL 47 HG12 VAL 47 92.634 8.005 3.100 387 HG13 VAL 47 HG13 VAL 47 92.478 6.484 2.222 388 HG21 VAL 47 HG21 VAL 47 93.984 8.510 -0.384 389 HG22 VAL 47 HG22 VAL 47 94.189 7.151 0.722 390 HG23 VAL 47 HG23 VAL 47 94.398 8.803 1.305 391 H GLN 48 HN GLN 48 89.777 9.319 -0.709 392 HA GLN 48 HA GLN 48 91.323 10.562 -2.888 393 HB2 GLN 48 HB2 GLN 48 89.909 8.523 -3.754 394 HB3 GLN 48 HB1 GLN 48 88.541 9.620 -3.558 395 HG2 GLN 48 HG2 GLN 48 89.675 11.284 -4.993 396 HG3 GLN 48 HG1 GLN 48 91.029 10.174 -5.203 397 HE21 GLN 48 HE21 GLN 48 87.490 9.500 -5.223 398 HE22 GLN 48 HE22 GLN 48 87.476 8.831 -6.783 399 H GLY 49 HN GLY 49 89.928 11.145 -0.208 400 HA2 GLY 49 HA2 GLY 49 89.112 13.227 0.608 401 HA3 GLY 49 HA1 GLY 49 88.813 13.732 -1.056 402 H1U RCY 50 H1U RCY 50 81.701 12.219 -3.860 403 H1S RCY 50 H1S RCY 50 83.170 9.269 -0.808 404 HB1 RCY 50 HB1 RCY 50 84.110 11.181 2.132 405 HB2 RCY 50 HB2 RCY 50 85.867 11.056 2.223 406 HA RCY 50 HA RCY 50 84.642 12.770 0.086 407 HN1 RCY 50 HN1 RCY 50 87.067 13.592 1.477 408 H GLY 51 HN GLY 51 82.784 13.605 1.133 409 HA2 GLY 51 HA2 GLY 51 82.984 15.956 2.596 410 HA3 GLY 51 HA1 GLY 51 81.572 14.902 2.689 411 H ASP 52 HN ASP 52 82.453 12.696 3.978 412 HA ASP 52 HA ASP 52 82.884 11.878 6.133 413 HB2 ASP 52 HB2 ASP 52 85.200 12.682 5.394 414 HB3 ASP 52 HB1 ASP 52 84.891 14.129 6.355 415 H ASP 53 HN ASP 53 82.525 12.379 8.416 416 HA ASP 53 HA ASP 53 81.452 13.518 10.162 417 HB2 ASP 53 HB2 ASP 53 83.182 15.310 9.318 418 HB3 ASP 53 HB1 ASP 53 81.755 16.108 8.658 419 H ILE 54 HN ILE 54 80.486 14.132 6.853 420 HA ILE 54 HA ILE 54 77.658 14.051 7.702 421 HB ILE 54 HB ILE 54 77.261 16.066 6.105 422 HG12 ILE 54 HG12 ILE 54 80.117 16.656 6.922 423 HG13 ILE 54 HG11 ILE 54 79.694 16.003 5.339 424 HG21 ILE 54 HG21 ILE 54 76.960 16.072 8.590 425 HG22 ILE 54 HG22 ILE 54 77.506 17.627 7.961 426 HG23 ILE 54 HG23 ILE 54 78.650 16.548 8.758 427 HD11 ILE 54 HD11 ILE 54 78.743 18.625 6.528 428 HD12 ILE 54 HD12 ILE 54 78.148 17.950 5.012 429 HD13 ILE 54 HD13 ILE 54 79.840 18.423 5.162 430 HA PRO 55 HA PRO 55 78.559 11.867 3.723 431 HB2 PRO 55 HB2 PRO 55 77.537 9.447 4.413 432 HB3 PRO 55 HB1 PRO 55 79.183 9.943 4.854 433 HG2 PRO 55 HG2 PRO 55 76.726 9.859 6.520 434 HG3 PRO 55 HG1 PRO 55 78.404 9.501 6.959 435 HD2 PRO 55 HD2 PRO 55 77.092 11.894 7.525 436 HD3 PRO 55 HD1 PRO 55 78.856 11.689 7.480 437 H GLY 56 HN GLY 56 77.024 12.784 2.370 438 HA2 GLY 56 HA2 GLY 56 74.985 12.630 1.136 439 HA3 GLY 56 HA1 GLY 56 74.317 11.612 2.413 440 H MET 57 HN MET 57 75.920 14.520 3.377 441 HA MET 57 HA MET 57 75.095 16.450 4.421 442 HB2 MET 57 HB2 MET 57 72.665 16.144 2.648 443 HB3 MET 57 HB1 MET 57 73.381 17.631 3.270 444 HG2 MET 57 HG2 MET 57 75.483 16.980 1.941 445 HG3 MET 57 HG1 MET 57 74.461 15.798 1.125 446 HE1 MET 57 HE1 MET 57 73.727 17.791 -1.814 447 HE2 MET 57 HE2 MET 57 73.563 16.241 -0.993 448 HE3 MET 57 HE3 MET 57 75.151 16.992 -1.136 449 H GLU 58 HN GLU 58 74.263 13.677 5.336 450 HA GLU 58 HA GLU 58 72.758 12.723 6.874 451 HB2 GLU 58 HB2 GLU 58 73.850 14.604 8.183 452 HB3 GLU 58 HB1 GLU 58 72.438 15.589 7.801 453 HG2 GLU 58 HG2 GLU 58 70.968 14.044 8.937 454 HG3 GLU 58 HG1 GLU 58 72.280 12.887 9.162 455 H GLY 59 HN GLY 59 71.210 12.298 5.096 456 HA2 GLY 59 HA2 GLY 59 68.580 13.276 5.713 457 HA3 GLY 59 HA1 GLY 59 69.175 14.042 4.240 458 H1U RCY 60 H1U RCY 60 63.356 9.108 -2.672 459 H1S RCY 60 H1S RCY 60 66.122 9.463 0.268 460 HB1 RCY 60 HB1 RCY 60 69.652 10.041 2.069 461 HB2 RCY 60 HB2 RCY 60 69.276 11.263 0.854 462 HA RCY 60 HA RCY 60 66.872 11.155 1.590 463 HN1 RCY 60 HN1 RCY 60 67.719 12.956 2.846 464 H GLY 61 HN GLY 61 67.162 10.964 4.742 465 HA2 GLY 61 HA2 GLY 61 65.539 8.814 5.271 466 HA3 GLY 61 HA1 GLY 61 67.137 8.070 5.171 467 H THR 62 HN THR 62 68.541 10.397 6.237 468 HA THR 62 HA THR 62 69.162 11.324 8.298 469 HB THR 62 HB THR 62 67.483 12.073 9.722 470 HG1 THR 62 HG1 THR 62 65.514 10.832 9.955 471 HG21 THR 62 HG21 THR 62 66.964 12.294 7.088 472 HG22 THR 62 HG22 THR 62 65.900 12.965 8.324 473 HG23 THR 62 HG23 THR 62 65.522 11.408 7.587 474 H ASP 63 HN ASP 63 67.214 8.348 8.585 475 HA ASP 63 HA ASP 63 68.202 7.407 11.037 476 HB2 ASP 63 HB2 ASP 63 67.601 5.186 10.283 477 HB3 ASP 63 HB1 ASP 63 66.414 6.316 9.634 478 H ILE 64 HN ILE 64 69.843 7.757 8.004 479 HA ILE 64 HA ILE 64 72.058 5.977 8.849 480 HB ILE 64 HB ILE 64 71.483 5.851 6.507 481 HG12 ILE 64 HG12 ILE 64 73.866 7.600 6.247 482 HG13 ILE 64 HG11 ILE 64 74.009 6.284 7.413 483 HG21 ILE 64 HG21 ILE 64 71.766 8.864 6.599 484 HG22 ILE 64 HG22 ILE 64 70.333 7.929 6.170 485 HG23 ILE 64 HG23 ILE 64 71.727 7.952 5.090 486 HD11 ILE 64 HD11 ILE 64 74.635 5.849 4.900 487 HD12 ILE 64 HD12 ILE 64 72.889 5.729 4.680 488 HD13 ILE 64 HD13 ILE 64 73.716 4.633 5.787 489 H THR 65 HN THR 65 71.567 8.222 10.512 490 HA THR 65 HA THR 65 73.087 10.537 9.995 491 HB THR 65 HB THR 65 73.104 9.126 12.676 492 HG1 THR 65 HG1 THR 65 71.112 10.936 11.897 493 HG21 THR 65 HG21 THR 65 74.444 11.258 12.234 494 HG22 THR 65 HG22 THR 65 73.306 11.323 13.579 495 HG23 THR 65 HG23 THR 65 72.892 12.072 12.037 496 H VAL 66 HN VAL 66 74.070 7.318 10.931 497 HA VAL 66 HA VAL 66 76.752 7.697 9.896 498 HB VAL 66 HB VAL 66 77.633 6.867 12.301 499 HG11 VAL 66 HG11 VAL 66 78.173 8.980 10.873 500 HG12 VAL 66 HG12 VAL 66 78.517 9.025 12.602 501 HG13 VAL 66 HG13 VAL 66 77.068 9.808 11.971 502 HG21 VAL 66 HG21 VAL 66 75.535 8.849 13.150 503 HG22 VAL 66 HG22 VAL 66 76.421 7.683 14.132 504 HG23 VAL 66 HG23 VAL 66 75.131 7.135 13.061 505 H ILE 67 HN ILE 67 74.392 5.829 11.697 506 HA ILE 67 HA ILE 67 75.342 3.364 10.325 507 HB ILE 67 HB ILE 67 74.710 3.622 13.285 508 HG12 ILE 67 HG12 ILE 67 77.055 2.289 13.114 509 HG13 ILE 67 HG11 ILE 67 77.165 3.255 11.642 510 HG21 ILE 67 HG21 ILE 67 73.672 1.595 12.586 511 HG22 ILE 67 HG22 ILE 67 75.240 1.111 13.231 512 HG23 ILE 67 HG23 ILE 67 74.996 1.208 11.487 513 HD11 ILE 67 HD11 ILE 67 76.367 5.202 13.258 514 HD12 ILE 67 HD12 ILE 67 78.068 4.743 13.175 515 HD13 ILE 67 HD13 ILE 67 77.059 4.155 14.496 516 H1U RCY 68 H1U RCY 68 73.303 5.145 1.831 517 H1S RCY 68 H1S RCY 68 72.082 3.992 5.829 518 HB1 RCY 68 HB1 RCY 68 71.023 3.925 7.490 519 HB2 RCY 68 HB2 RCY 68 70.384 2.299 7.721 520 HA RCY 68 HA RCY 68 70.881 3.921 9.794 521 HN1 RCY 68 HN1 RCY 68 73.543 3.261 8.953 522 HA PRO 69 HA PRO 69 69.876 0.356 12.207 523 HB2 PRO 69 HB2 PRO 69 67.141 0.270 11.777 524 HB3 PRO 69 HB1 PRO 69 67.947 1.367 12.914 525 HG2 PRO 69 HG2 PRO 69 66.931 1.897 10.175 526 HG3 PRO 69 HG1 PRO 69 66.929 2.941 11.605 527 HD2 PRO 69 HD2 PRO 69 68.716 3.245 9.559 528 HD3 PRO 69 HD1 PRO 69 69.098 3.672 11.242 529 H TRP 70 HN TRP 70 67.894 0.313 9.197 530 HA TRP 70 HA TRP 70 67.905 -2.574 9.095 531 HD1 TRP 70 HD1 TRP 70 65.624 0.672 8.778 532 HE1 TRP 70 HE1 TRP 70 65.991 2.999 7.735 533 HE3 TRP 70 HE3 TRP 70 68.841 -0.552 5.006 534 HZ2 TRP 70 HZ2 TRP 70 67.459 4.188 5.581 535 HZ3 TRP 70 HZ3 TRP 70 69.707 1.192 3.478 536 HH2 TRP 70 HH2 TRP 70 69.022 3.557 3.758 537 HB2 TRP 70 HB2 TRP 70 67.276 -1.953 6.557 538 HB3 TRP 70 HB1 TRP 70 66.118 -1.778 7.872 539 H GLU 71 HN GLU 71 70.554 -1.557 9.407 540 HA GLU 71 HA GLU 71 71.979 -3.126 7.530 541 HB2 GLU 71 HB2 GLU 71 71.197 -0.554 6.517 542 HB3 GLU 71 HB1 GLU 71 72.947 -0.557 6.712 543 HG2 GLU 71 HG2 GLU 71 71.401 -2.750 5.305 544 HG3 GLU 71 HG1 GLU 71 72.182 -1.406 4.472 545 H ALA 72 HN ALA 72 72.557 -3.404 9.919 546 HA ALA 72 HA ALA 72 74.231 -1.354 11.139 547 HB1 ALA 72 HB1 ALA 72 72.900 -2.949 12.496 548 HB2 ALA 72 HB2 ALA 72 74.617 -3.029 12.892 549 HB3 ALA 72 HB3 ALA 72 73.886 -4.276 11.881 550 H1U RCY 73 H1U RCY 73 78.577 -0.530 0.845 551 H1S RCY 73 H1S RCY 73 78.099 -0.453 4.907 552 HB1 RCY 73 HB1 RCY 73 78.790 -1.664 7.375 553 HB2 RCY 73 HB2 RCY 73 77.747 -0.485 8.172 554 HA RCY 73 HA RCY 73 77.289 -3.483 8.241 555 HN1 RCY 73 HN1 RCY 73 75.524 -1.416 8.928 556 H ASN 74 HN ASN 74 77.550 -1.103 10.837 557 HA ASN 74 HA ASN 74 79.141 -0.878 12.556 558 HB2 ASN 74 HB2 ASN 74 78.973 -3.884 12.212 559 HB3 ASN 74 HB1 ASN 74 79.801 -3.100 13.559 560 HD21 ASN 74 HD21 ASN 74 78.149 -4.113 15.013 561 HD22 ASN 74 HD22 ASN 74 76.606 -3.417 15.139 562 H HIS 75 HN HIS 75 80.362 -0.288 10.195 563 HA HIS 75 HA HIS 75 82.470 -0.188 9.170 564 HD1 HIS 75 HD1 HIS 75 84.472 -0.904 8.453 565 HD2 HIS 75 HD2 HIS 75 85.833 0.834 11.992 566 HE1 HIS 75 HE1 HIS 75 86.741 0.094 7.933 567 HE2 HIS 75 HE2 HIS 75 87.581 1.155 10.080 568 HB2 HIS 75 HB2 HIS 75 83.015 0.082 11.703 569 HB3 HIS 75 HB1 HIS 75 83.584 -1.584 11.602 570 H1U RCY 76 H1U RCY 76 88.442 -0.771 3.381 571 H1S RCY 76 H1S RCY 76 85.539 -2.028 6.182 572 HB1 RCY 76 HB1 RCY 76 83.349 -4.934 6.322 573 HB2 RCY 76 HB2 RCY 76 84.167 -4.093 7.639 574 HA RCY 76 HA RCY 76 81.191 -4.340 7.154 575 HN1 RCY 76 HN1 RCY 76 81.004 -2.271 8.241 576 H GLU 77 HN GLU 77 80.550 -6.164 8.178 577 HA GLU 77 HA GLU 77 81.437 -6.810 10.858 578 HB2 GLU 77 HB2 GLU 77 79.179 -7.373 9.669 579 HB3 GLU 77 HB1 GLU 77 80.047 -8.768 9.036 580 HG2 GLU 77 HG2 GLU 77 80.757 -9.176 11.503 581 HG3 GLU 77 HG1 GLU 77 79.430 -8.086 11.906 582 H LEU 78 HN LEU 78 81.501 -9.194 8.207 583 HA LEU 78 HA LEU 78 84.413 -9.411 8.364 584 HG LEU 78 HG LEU 78 82.347 -12.710 10.090 585 HB2 LEU 78 HB2 LEU 78 84.546 -11.655 9.212 586 HB3 LEU 78 HB1 LEU 78 83.605 -10.712 10.356 587 HD11 LEU 78 HD11 LEU 78 81.145 -10.887 7.995 588 HD12 LEU 78 HD12 LEU 78 81.087 -10.519 9.718 589 HD13 LEU 78 HD13 LEU 78 80.299 -11.970 9.099 590 HD21 LEU 78 HD21 LEU 78 82.206 -12.583 7.120 591 HD22 LEU 78 HD22 LEU 78 82.282 -13.988 8.183 592 HD23 LEU 78 HD23 LEU 78 83.750 -13.084 7.810 593 H HIS 79 HN HIS 79 81.812 -9.313 6.554 594 HA HIS 79 HA HIS 79 81.558 -9.753 4.257 595 HD1 HIS 79 HD1 HIS 79 85.054 -9.164 2.247 596 HD2 HIS 79 HD2 HIS 79 81.503 -11.330 1.925 597 HE1 HIS 79 HE1 HIS 79 84.318 -8.977 -0.170 598 HE2 HIS 79 HE2 HIS 79 82.158 -10.291 -0.379 599 HB2 HIS 79 HB2 HIS 79 84.214 -9.943 4.491 600 HB3 HIS 79 HB1 HIS 79 83.873 -11.647 4.194 601 H GLU 80 HN GLU 80 79.665 -10.940 4.451 602 HA GLU 80 HA GLU 80 79.986 -13.916 4.649 603 HB2 GLU 80 HB2 GLU 80 77.774 -12.116 5.665 604 HB3 GLU 80 HB1 GLU 80 77.579 -13.861 5.490 605 HG2 GLU 80 HG2 GLU 80 79.872 -12.657 7.047 606 HG3 GLU 80 HG1 GLU 80 78.319 -13.020 7.800 607 H LEU 81 HN LEU 81 77.088 -12.069 3.824 608 HA LEU 81 HA LEU 81 76.956 -13.528 1.252 609 HG LEU 81 HG LEU 81 75.696 -10.752 3.106 610 HB2 LEU 81 HB2 LEU 81 74.696 -12.288 1.126 611 HB3 LEU 81 HB1 LEU 81 74.868 -13.518 2.376 612 HD11 LEU 81 HD11 LEU 81 73.668 -10.162 2.000 613 HD12 LEU 81 HD12 LEU 81 73.245 -10.296 3.707 614 HD13 LEU 81 HD13 LEU 81 72.839 -11.602 2.592 615 HD21 LEU 81 HD21 LEU 81 74.985 -11.434 5.260 616 HD22 LEU 81 HD22 LEU 81 75.684 -12.894 4.561 617 HD23 LEU 81 HD23 LEU 81 73.932 -12.690 4.608 618 H ALA 82 HN ALA 82 78.228 -10.647 2.370 619 HA ALA 82 HA ALA 82 77.498 -8.734 0.423 620 HB1 ALA 82 HB1 ALA 82 79.785 -7.753 0.870 621 HB2 ALA 82 HB2 ALA 82 80.127 -9.168 1.865 622 HB3 ALA 82 HB3 ALA 82 78.830 -8.063 2.320 623 H GLN 83 HN GLN 83 79.438 -11.595 0.117 624 HA GLN 83 HA GLN 83 80.822 -10.733 -2.299 625 HB2 GLN 83 HB2 GLN 83 81.474 -13.127 -2.477 626 HB3 GLN 83 HB1 GLN 83 81.812 -12.463 -0.879 627 HG2 GLN 83 HG2 GLN 83 79.203 -13.380 -0.639 628 HG3 GLN 83 HG1 GLN 83 79.970 -14.608 -1.646 629 HE21 GLN 83 HE21 GLN 83 80.697 -16.274 -0.317 630 HE22 GLN 83 HE22 GLN 83 81.466 -16.061 1.180 631 H TYR 84 HN TYR 84 80.472 -12.624 -4.185 632 HA TYR 84 HA TYR 84 79.051 -13.120 -5.986 633 HD1 TYR 84 HD1 TYR 84 78.618 -15.116 -6.840 634 HD2 TYR 84 HD2 TYR 84 78.250 -15.673 -2.597 635 HE1 TYR 84 HE1 TYR 84 79.821 -17.277 -7.019 636 HE2 TYR 84 HE2 TYR 84 79.453 -17.834 -2.776 637 HH TYR 84 HH TYR 84 80.531 -19.079 -5.940 638 HB2 TYR 84 HB2 TYR 84 77.357 -13.757 -3.567 639 HB3 TYR 84 HB1 TYR 84 76.727 -13.974 -5.199 640 H GLY 85 HN GLY 85 76.302 -12.100 -4.082 641 HA2 GLY 85 HA2 GLY 85 75.740 -9.565 -4.203 642 HA3 GLY 85 HA1 GLY 85 75.957 -9.789 -5.940 643 H ILE 86 HN ILE 86 73.884 -10.503 -3.200 644 HA ILE 86 HA ILE 86 72.063 -12.289 -4.436 645 HB ILE 86 HB ILE 86 71.133 -10.122 -2.555 646 HG12 ILE 86 HG12 ILE 86 73.246 -10.827 -1.609 647 HG13 ILE 86 HG11 ILE 86 71.963 -11.626 -0.700 648 HG21 ILE 86 HG21 ILE 86 69.480 -11.737 -3.369 649 HG22 ILE 86 HG22 ILE 86 69.798 -12.021 -1.658 650 HG23 ILE 86 HG23 ILE 86 70.516 -13.076 -2.876 651 HD11 ILE 86 HD11 ILE 86 72.259 -13.575 -2.375 652 HD12 ILE 86 HD12 ILE 86 73.507 -13.360 -1.147 653 HD13 ILE 86 HD13 ILE 86 73.787 -12.802 -2.796 654 H1U RCY 87 H1U RCY 87 69.906 -0.616 -7.819 655 H1S RCY 87 H1S RCY 87 71.245 -4.867 -7.390 656 HB1 RCY 87 HB1 RCY 87 71.771 -6.781 -7.771 657 HB2 RCY 87 HB2 RCY 87 73.047 -7.396 -6.720 658 HA RCY 87 HA RCY 87 70.228 -8.359 -6.326 659 HN1 RCY 87 HN1 RCY 87 72.882 -9.253 -5.478 Start of MODEL 13 1 HA MET 1 HA MET 1 57.216 -14.440 5.102 2 HB2 MET 1 HB2 MET 1 55.398 -15.110 7.431 3 HB3 MET 1 HB1 MET 1 55.206 -13.797 6.269 4 HG2 MET 1 HG2 MET 1 55.107 -15.614 4.463 5 HG3 MET 1 HG1 MET 1 54.915 -16.766 5.785 6 HE1 MET 1 HE1 MET 1 53.078 -17.188 4.054 7 HE2 MET 1 HE2 MET 1 52.584 -15.705 3.242 8 HE3 MET 1 HE3 MET 1 51.432 -16.575 4.252 9 H ASN 2 HN ASN 2 59.224 -13.597 5.817 10 HA ASN 2 HA ASN 2 59.984 -13.464 8.591 11 HB2 ASN 2 HB2 ASN 2 60.872 -11.895 6.156 12 HB3 ASN 2 HB1 ASN 2 61.597 -11.691 7.751 13 HD21 ASN 2 HD21 ASN 2 61.061 -14.103 5.161 14 HD22 ASN 2 HD22 ASN 2 62.334 -15.123 5.629 15 H LEU 3 HN LEU 3 57.514 -11.923 6.965 16 HA LEU 3 HA LEU 3 56.231 -10.010 7.426 17 HG LEU 3 HG LEU 3 54.516 -9.887 9.074 18 HB2 LEU 3 HB2 LEU 3 56.350 -11.399 9.680 19 HB3 LEU 3 HB1 LEU 3 57.318 -10.032 10.228 20 HD11 LEU 3 HD11 LEU 3 54.045 -8.964 11.396 21 HD12 LEU 3 HD12 LEU 3 55.655 -9.518 11.856 22 HD13 LEU 3 HD13 LEU 3 54.436 -10.683 11.339 23 HD21 LEU 3 HD21 LEU 3 54.795 -7.447 9.879 24 HD22 LEU 3 HD22 LEU 3 55.616 -7.900 8.385 25 HD23 LEU 3 HD23 LEU 3 56.526 -7.784 9.892 26 H GLU 4 HN GLU 4 57.428 -8.504 6.166 27 HA GLU 4 HA GLU 4 59.603 -7.024 7.565 28 HB2 GLU 4 HB2 GLU 4 59.854 -5.984 5.202 29 HB3 GLU 4 HB1 GLU 4 60.342 -7.665 5.415 30 HG2 GLU 4 HG2 GLU 4 57.528 -6.980 4.585 31 HG3 GLU 4 HG1 GLU 4 58.820 -7.078 3.388 32 HA PRO 5 HA PRO 5 57.302 -3.415 8.609 33 HB2 PRO 5 HB2 PRO 5 59.129 -1.974 6.712 34 HB3 PRO 5 HB1 PRO 5 58.671 -1.546 8.372 35 HG2 PRO 5 HG2 PRO 5 61.028 -2.683 7.780 36 HG3 PRO 5 HG1 PRO 5 60.179 -2.986 9.304 37 HD2 PRO 5 HD2 PRO 5 60.614 -4.814 7.030 38 HD3 PRO 5 HD1 PRO 5 60.162 -5.192 8.707 39 HA PRO 6 HA PRO 6 54.449 -2.822 5.251 40 HB2 PRO 6 HB2 PRO 6 53.213 -0.512 5.996 41 HB3 PRO 6 HB1 PRO 6 52.969 -2.047 6.854 42 HG2 PRO 6 HG2 PRO 6 54.703 0.261 7.582 43 HG3 PRO 6 HG1 PRO 6 53.684 -0.756 8.614 44 HD2 PRO 6 HD2 PRO 6 56.405 -1.080 8.399 45 HD3 PRO 6 HD1 PRO 6 55.292 -2.405 8.805 46 H LYS 7 HN LYS 7 54.309 -1.754 3.247 47 HA LYS 7 HA LYS 7 55.351 0.900 2.796 48 HB2 LYS 7 HB2 LYS 7 57.203 0.009 1.202 49 HB3 LYS 7 HB1 LYS 7 57.541 0.037 2.932 50 HG2 LYS 7 HG2 LYS 7 56.937 -2.330 3.119 51 HG3 LYS 7 HG1 LYS 7 56.514 -2.375 1.407 52 HD2 LYS 7 HD2 LYS 7 59.268 -1.702 2.484 53 HD3 LYS 7 HD1 LYS 7 58.798 -3.278 1.846 54 HE2 LYS 7 HE2 LYS 7 59.640 -2.374 -0.093 55 HE3 LYS 7 HE1 LYS 7 57.995 -1.749 -0.212 56 HZ1 LYS 7 HZ1 LYS 7 59.438 0.000 1.400 57 HZ2 LYS 7 HZ2 LYS 7 58.825 0.284 -0.159 58 HZ3 LYS 7 HZ3 LYS 7 60.402 -0.316 0.040 59 H ALA 8 HN ALA 8 54.147 1.627 1.119 60 HA ALA 8 HA ALA 8 53.831 0.168 -1.347 61 HB1 ALA 8 HB1 ALA 8 52.245 -1.057 0.240 62 HB2 ALA 8 HB2 ALA 8 51.517 -0.430 -1.239 63 HB3 ALA 8 HB3 ALA 8 51.297 0.429 0.285 64 H GLU 9 HN GLU 9 54.472 2.209 -2.194 65 HA GLU 9 HA GLU 9 52.260 4.174 -2.363 66 HB2 GLU 9 HB2 GLU 9 55.049 4.819 -1.369 67 HB3 GLU 9 HB1 GLU 9 53.910 6.044 -1.928 68 HG2 GLU 9 HG2 GLU 9 52.262 5.197 -0.234 69 HG3 GLU 9 HG1 GLU 9 53.521 4.130 0.389 70 H1U RCY 10 H1U RCY 10 61.155 0.307 -3.997 71 H1S RCY 10 H1S RCY 10 59.292 1.817 -7.234 72 HB1 RCY 10 HB1 RCY 10 56.512 1.724 -5.654 73 HB2 RCY 10 HB2 RCY 10 57.314 3.064 -4.837 74 HA RCY 10 HA RCY 10 55.510 4.574 -5.826 75 HN1 RCY 10 HN1 RCY 10 55.203 2.766 -3.576 76 H ARG 11 HN ARG 11 53.012 4.325 -6.194 77 HA ARG 11 HA ARG 11 52.210 1.890 -7.613 78 HE ARG 11 HE ARG 11 49.494 7.671 -7.154 79 HB2 ARG 11 HB2 ARG 11 50.147 3.423 -8.119 80 HB3 ARG 11 HB1 ARG 11 50.413 2.873 -6.464 81 HG2 ARG 11 HG2 ARG 11 51.352 4.961 -5.810 82 HG3 ARG 11 HG1 ARG 11 51.528 5.490 -7.484 83 HD2 ARG 11 HD2 ARG 11 49.029 5.425 -7.705 84 HD3 ARG 11 HD1 ARG 11 48.930 5.071 -5.980 85 HH11 ARG 11 HH21 ARG 11 50.010 5.545 -4.490 86 HH12 ARG 11 HH22 ARG 11 50.300 6.821 -3.356 87 HH21 ARG 11 HH11 ARG 11 49.871 9.350 -5.689 88 HH22 ARG 11 HH12 ARG 11 50.222 8.976 -4.034 89 H SER 12 HN SER 12 53.606 1.794 -9.432 90 HA SER 12 HA SER 12 52.845 3.624 -11.624 91 HG SER 12 HG SER 12 54.018 5.549 -10.984 92 HB2 SER 12 HB2 SER 12 55.701 3.295 -10.663 93 HB3 SER 12 HB1 SER 12 55.252 4.032 -12.198 94 H ALA 13 HN ALA 13 55.783 1.712 -11.636 95 HA ALA 13 HA ALA 13 54.534 -0.679 -12.725 96 HB1 ALA 13 HB1 ALA 13 55.652 -0.431 -14.985 97 HB2 ALA 13 HB2 ALA 13 55.946 1.259 -14.577 98 HB3 ALA 13 HB3 ALA 13 54.293 0.660 -14.715 99 H THR 14 HN THR 14 57.572 0.425 -14.031 100 HA THR 14 HA THR 14 59.261 -0.558 -11.910 101 HB THR 14 HB THR 14 58.554 -2.758 -12.490 102 HG1 THR 14 HG1 THR 14 60.825 -2.359 -14.121 103 HG21 THR 14 HG21 THR 14 57.381 -2.218 -14.562 104 HG22 THR 14 HG22 THR 14 58.516 -3.536 -14.856 105 HG23 THR 14 HG23 THR 14 58.913 -1.897 -15.374 106 H ARG 15 HN ARG 15 59.046 1.688 -13.810 107 HA ARG 15 HA ARG 15 61.243 1.353 -15.716 108 HE ARG 15 HE ARG 15 57.463 6.227 -13.713 109 HB2 ARG 15 HB2 ARG 15 60.854 3.710 -16.249 110 HB3 ARG 15 HB1 ARG 15 59.310 2.861 -16.175 111 HG2 ARG 15 HG2 ARG 15 59.168 3.612 -13.738 112 HG3 ARG 15 HG1 ARG 15 60.523 4.684 -14.089 113 HD2 ARG 15 HD2 ARG 15 59.188 5.667 -15.969 114 HD3 ARG 15 HD1 ARG 15 57.817 4.684 -15.455 115 HH11 ARG 15 HH21 ARG 15 60.683 6.386 -14.936 116 HH12 ARG 15 HH22 ARG 15 61.127 7.749 -13.964 117 HH21 ARG 15 HH11 ARG 15 58.025 8.006 -12.436 118 HH22 ARG 15 HH12 ARG 15 59.622 8.666 -12.548 119 H VAL 16 HN VAL 16 63.366 1.801 -15.315 120 HA VAL 16 HA VAL 16 64.072 2.817 -12.613 121 HB VAL 16 HB VAL 16 66.414 2.116 -13.358 122 HG11 VAL 16 HG11 VAL 16 65.103 0.691 -11.892 123 HG12 VAL 16 HG12 VAL 16 65.875 -0.325 -13.110 124 HG13 VAL 16 HG13 VAL 16 64.166 0.084 -13.257 125 HG21 VAL 16 HG21 VAL 16 65.769 2.199 -15.819 126 HG22 VAL 16 HG22 VAL 16 64.869 0.707 -15.551 127 HG23 VAL 16 HG23 VAL 16 66.617 0.736 -15.318 128 H MET 17 HN MET 17 63.039 4.842 -14.117 129 HA MET 17 HA MET 17 63.522 6.951 -15.031 130 HB2 MET 17 HB2 MET 17 66.032 6.377 -13.435 131 HB3 MET 17 HB1 MET 17 65.709 7.934 -14.199 132 HG2 MET 17 HG2 MET 17 63.765 8.297 -12.862 133 HG3 MET 17 HG1 MET 17 63.750 6.624 -12.304 134 HE1 MET 17 HE1 MET 17 66.269 6.277 -9.644 135 HE2 MET 17 HE2 MET 17 65.763 5.537 -11.161 136 HE3 MET 17 HE3 MET 17 64.551 6.036 -9.983 137 H GLY 18 HN GLY 18 66.907 5.978 -15.113 138 HA2 GLY 18 HA2 GLY 18 68.221 5.263 -16.967 139 HA3 GLY 18 HA1 GLY 18 66.772 5.298 -17.973 140 H GLY 19 HN GLY 19 66.139 7.293 -18.935 141 HA2 GLY 19 HA2 GLY 19 68.266 9.041 -19.685 142 HA3 GLY 19 HA1 GLY 19 66.552 9.370 -19.944 143 HA PRO 20 HA PRO 20 66.017 12.472 -16.886 144 HB2 PRO 20 HB2 PRO 20 64.814 10.399 -15.076 145 HB3 PRO 20 HB1 PRO 20 64.223 12.026 -15.469 146 HG2 PRO 20 HG2 PRO 20 63.199 9.825 -16.601 147 HG3 PRO 20 HG1 PRO 20 63.325 11.364 -17.466 148 HD2 PRO 20 HD2 PRO 20 64.840 8.868 -17.893 149 HD3 PRO 20 HD1 PRO 20 64.624 10.254 -18.984 150 H1U RCY 21 H1U RCY 21 63.954 7.131 -12.195 151 H1S RCY 21 H1S RCY 21 66.879 7.318 -13.493 152 HB1 RCY 21 HB1 RCY 21 69.910 8.178 -13.945 153 HB2 RCY 21 HB2 RCY 21 68.279 7.916 -14.561 154 HA RCY 21 HA RCY 21 68.577 10.574 -13.388 155 HN1 RCY 21 HN1 RCY 21 67.356 9.400 -15.771 156 H THR 22 HN THR 22 70.318 11.896 -13.550 157 HA THR 22 HA THR 22 71.938 11.976 -15.968 158 HB THR 22 HB THR 22 71.971 14.092 -15.086 159 HG1 THR 22 HG1 THR 22 74.049 14.047 -14.825 160 HG21 THR 22 HG21 THR 22 71.615 12.703 -12.430 161 HG22 THR 22 HG22 THR 22 70.483 13.761 -13.272 162 HG23 THR 22 HG23 THR 22 71.936 14.434 -12.534 163 HA PRO 23 HA PRO 23 75.187 9.083 -15.280 164 HB2 PRO 23 HB2 PRO 23 77.014 11.457 -15.087 165 HB3 PRO 23 HB1 PRO 23 77.200 9.969 -16.036 166 HG2 PRO 23 HG2 PRO 23 76.394 12.277 -17.138 167 HG3 PRO 23 HG1 PRO 23 75.823 10.702 -17.708 168 HD2 PRO 23 HD2 PRO 23 74.339 12.796 -16.249 169 HD3 PRO 23 HD1 PRO 23 73.716 11.439 -17.211 170 H ARG 24 HN ARG 24 76.497 8.244 -13.545 171 HA ARG 24 HA ARG 24 75.746 9.180 -10.910 172 HE ARG 24 HE ARG 24 77.441 3.960 -12.480 173 HB2 ARG 24 HB2 ARG 24 77.549 7.464 -10.207 174 HB3 ARG 24 HB1 ARG 24 76.138 6.850 -11.068 175 HG2 ARG 24 HG2 ARG 24 77.339 6.702 -13.128 176 HG3 ARG 24 HG1 ARG 24 78.688 7.643 -12.489 177 HD2 ARG 24 HD2 ARG 24 79.388 5.352 -12.442 178 HD3 ARG 24 HD1 ARG 24 79.012 5.789 -10.775 179 HH11 ARG 24 HH21 ARG 24 77.773 5.839 -9.609 180 HH12 ARG 24 HH22 ARG 24 76.567 4.957 -8.732 181 HH21 ARG 24 HH11 ARG 24 75.864 2.797 -11.352 182 HH22 ARG 24 HH12 ARG 24 75.487 3.235 -9.720 183 H LYS 25 HN LYS 25 77.478 10.873 -12.864 184 HA LYS 25 HA LYS 25 80.047 11.210 -11.632 185 HB2 LYS 25 HB2 LYS 25 80.129 13.339 -12.857 186 HB3 LYS 25 HB1 LYS 25 79.502 12.059 -13.897 187 HG2 LYS 25 HG2 LYS 25 77.166 12.810 -13.184 188 HG3 LYS 25 HG1 LYS 25 77.940 14.236 -12.492 189 HD2 LYS 25 HD2 LYS 25 78.434 13.411 -15.353 190 HD3 LYS 25 HD1 LYS 25 77.065 14.432 -14.911 191 HE2 LYS 25 HE2 LYS 25 79.992 15.026 -14.388 192 HE3 LYS 25 HE1 LYS 25 78.947 15.849 -15.546 193 HZ1 LYS 25 HZ1 LYS 25 78.910 17.224 -13.700 194 HZ2 LYS 25 HZ2 LYS 25 78.864 15.931 -12.598 195 HZ3 LYS 25 HZ3 LYS 25 77.487 16.318 -13.516 196 H GLY 26 HN GLY 26 80.154 13.978 -11.077 197 HA2 GLY 26 HA2 GLY 26 78.470 15.340 -9.513 198 HA3 GLY 26 HA1 GLY 26 78.831 13.997 -8.428 199 HA PRO 27 HA PRO 27 81.787 17.650 -7.731 200 HB2 PRO 27 HB2 PRO 27 81.551 16.250 -5.088 201 HB3 PRO 27 HB1 PRO 27 81.666 17.988 -5.435 202 HG2 PRO 27 HG2 PRO 27 79.343 16.838 -4.822 203 HG3 PRO 27 HG1 PRO 27 79.447 18.157 -6.000 204 HD2 PRO 27 HD2 PRO 27 78.931 15.268 -6.465 205 HD3 PRO 27 HD1 PRO 27 78.477 16.671 -7.458 206 HA PRO 28 HA PRO 28 85.295 14.992 -8.655 207 HB2 PRO 28 HB2 PRO 28 86.706 17.086 -7.034 208 HB3 PRO 28 HB1 PRO 28 87.149 16.391 -8.606 209 HG2 PRO 28 HG2 PRO 28 86.020 18.805 -8.397 210 HG3 PRO 28 HG1 PRO 28 85.684 17.726 -9.760 211 HD2 PRO 28 HD2 PRO 28 83.916 18.494 -7.508 212 HD3 PRO 28 HD1 PRO 28 83.488 17.880 -9.120 213 H LYS 29 HN LYS 29 86.570 13.452 -7.528 214 HA LYS 29 HA LYS 29 87.146 12.049 -5.743 215 HB2 LYS 29 HB2 LYS 29 86.797 14.448 -3.940 216 HB3 LYS 29 HB1 LYS 29 87.911 13.094 -3.758 217 HG2 LYS 29 HG2 LYS 29 89.009 13.851 -5.921 218 HG3 LYS 29 HG1 LYS 29 88.035 15.317 -5.808 219 HD2 LYS 29 HD2 LYS 29 88.986 15.587 -3.444 220 HD3 LYS 29 HD1 LYS 29 90.154 14.341 -3.886 221 HE2 LYS 29 HE2 LYS 29 91.249 16.378 -4.405 222 HE3 LYS 29 HE1 LYS 29 90.648 15.797 -5.958 223 HZ1 LYS 29 HZ1 LYS 29 89.881 18.123 -4.444 224 HZ2 LYS 29 HZ2 LYS 29 88.562 17.216 -5.013 225 HZ3 LYS 29 HZ3 LYS 29 89.723 17.808 -6.103 226 H1U RCY 30 H1U RCY 30 80.080 5.268 -6.390 227 H1S RCY 30 H1S RCY 30 83.407 8.634 -6.040 228 HB1 RCY 30 HB1 RCY 30 82.688 10.896 -6.142 229 HB2 RCY 30 HB2 RCY 30 81.483 10.830 -4.857 230 HA RCY 30 HA RCY 30 82.089 13.129 -5.038 231 HN1 RCY 30 HN1 RCY 30 84.176 13.386 -6.126 232 H LYS 31 HN LYS 31 84.078 14.206 -3.281 233 HA LYS 31 HA LYS 31 84.414 14.598 -0.999 234 HB2 LYS 31 HB2 LYS 31 81.856 13.005 -0.647 235 HB3 LYS 31 HB1 LYS 31 82.551 14.151 0.495 236 HG2 LYS 31 HG2 LYS 31 81.930 15.067 -2.296 237 HG3 LYS 31 HG1 LYS 31 80.618 14.925 -1.125 238 HD2 LYS 31 HD2 LYS 31 83.131 16.341 -0.310 239 HD3 LYS 31 HD1 LYS 31 81.974 17.187 -1.338 240 HE2 LYS 31 HE2 LYS 31 81.027 15.755 1.133 241 HE3 LYS 31 HE1 LYS 31 81.725 17.370 1.260 242 HZ1 LYS 31 HZ1 LYS 31 79.243 16.511 -0.036 243 HZ2 LYS 31 HZ2 LYS 31 80.081 17.828 -0.707 244 HZ3 LYS 31 HZ3 LYS 31 79.550 17.888 0.906 245 H GLN 32 HN GLN 32 85.645 13.597 0.561 246 HA GLN 32 HA GLN 32 86.886 11.878 1.565 247 HB2 GLN 32 HB2 GLN 32 84.447 11.326 2.241 248 HB3 GLN 32 HB1 GLN 32 84.534 10.068 1.008 249 HG2 GLN 32 HG2 GLN 32 86.560 9.151 2.117 250 HG3 GLN 32 HG1 GLN 32 86.402 10.374 3.378 251 HE21 GLN 32 HE21 GLN 32 83.451 9.068 2.028 252 HE22 GLN 32 HE22 GLN 32 83.043 8.091 3.355 253 H ARG 33 HN ARG 33 88.495 11.589 -0.009 254 HA ARG 33 HA ARG 33 88.104 10.175 -2.475 255 HE ARG 33 HE ARG 33 92.474 10.284 -1.244 256 HB2 ARG 33 HB2 ARG 33 90.029 11.731 -1.909 257 HB3 ARG 33 HB1 ARG 33 90.705 10.418 -0.944 258 HG2 ARG 33 HG2 ARG 33 90.773 8.965 -2.915 259 HG3 ARG 33 HG1 ARG 33 90.025 10.228 -3.894 260 HD2 ARG 33 HD2 ARG 33 92.584 10.025 -4.036 261 HD3 ARG 33 HD1 ARG 33 91.932 11.635 -3.730 262 HH11 ARG 33 HH21 ARG 33 93.914 11.863 -3.950 263 HH12 ARG 33 HH22 ARG 33 95.307 12.393 -3.068 264 HH21 ARG 33 HH11 ARG 33 94.285 10.967 -0.077 265 HH22 ARG 33 HH12 ARG 33 95.518 11.886 -0.875 266 H GLN 34 HN GLN 34 87.814 8.021 -2.758 267 HA GLN 34 HA GLN 34 89.173 6.109 -0.951 268 HB2 GLN 34 HB2 GLN 34 86.170 6.097 -1.397 269 HB3 GLN 34 HB1 GLN 34 87.083 4.865 -0.525 270 HG2 GLN 34 HG2 GLN 34 87.918 6.760 0.981 271 HG3 GLN 34 HG1 GLN 34 86.665 7.758 0.244 272 HE21 GLN 34 HE21 GLN 34 87.027 4.556 1.873 273 HE22 GLN 34 HE22 GLN 34 85.510 4.609 2.633 274 H THR 35 HN THR 35 90.271 5.996 -3.157 275 HA THR 35 HA THR 35 88.823 4.869 -5.393 276 HB THR 35 HB THR 35 91.805 4.729 -4.871 277 HG1 THR 35 HG1 THR 35 91.934 6.750 -5.554 278 HG21 THR 35 HG21 THR 35 90.249 4.871 -7.465 279 HG22 THR 35 HG22 THR 35 90.824 3.366 -6.748 280 HG23 THR 35 HG23 THR 35 91.979 4.589 -7.277 281 H ARG 36 HN ARG 36 90.608 3.523 -2.668 282 HA ARG 36 HA ARG 36 89.344 0.946 -3.003 283 HE ARG 36 HE ARG 36 93.606 -0.239 -5.282 284 HB2 ARG 36 HB2 ARG 36 91.813 1.406 -4.426 285 HB3 ARG 36 HB1 ARG 36 92.095 0.209 -3.163 286 HG2 ARG 36 HG2 ARG 36 90.288 -1.176 -3.978 287 HG3 ARG 36 HG1 ARG 36 89.787 0.069 -5.123 288 HD2 ARG 36 HD2 ARG 36 91.304 -1.941 -5.927 289 HD3 ARG 36 HD1 ARG 36 91.592 -0.312 -6.539 290 HH11 ARG 36 HH21 ARG 36 91.593 -2.912 -4.453 291 HH12 ARG 36 HH22 ARG 36 92.801 -3.693 -3.488 292 HH21 ARG 36 HH11 ARG 36 95.195 -1.244 -4.027 293 HH22 ARG 36 HH12 ARG 36 94.840 -2.749 -3.247 294 H GLN 37 HN GLN 37 90.134 3.141 -1.022 295 HA GLN 37 HA GLN 37 91.853 1.723 0.892 296 HB2 GLN 37 HB2 GLN 37 90.328 4.337 1.016 297 HB3 GLN 37 HB1 GLN 37 91.273 3.707 2.366 298 HG2 GLN 37 HG2 GLN 37 92.444 4.086 -0.397 299 HG3 GLN 37 HG1 GLN 37 92.490 5.348 0.834 300 HE21 GLN 37 HE21 GLN 37 94.462 3.081 -0.433 301 HE22 GLN 37 HE22 GLN 37 95.355 2.638 0.941 302 H1U RCY 38 H1U RCY 38 83.890 -4.643 -1.935 303 H1S RCY 38 H1S RCY 38 84.287 -2.042 1.839 304 HB1 RCY 38 HB1 RCY 38 87.784 -0.721 0.628 305 HB2 RCY 38 HB2 RCY 38 86.976 0.433 1.688 306 HA RCY 38 HA RCY 38 88.586 0.185 3.389 307 HN1 RCY 38 HN1 RCY 38 90.549 -0.185 1.252 308 H LYS 39 HN LYS 39 88.567 -1.622 4.707 309 HA LYS 39 HA LYS 39 90.603 -3.566 4.497 310 HB2 LYS 39 HB2 LYS 39 87.972 -3.564 5.989 311 HB3 LYS 39 HB1 LYS 39 89.134 -4.881 6.139 312 HG2 LYS 39 HG2 LYS 39 90.113 -2.071 6.485 313 HG3 LYS 39 HG1 LYS 39 89.215 -2.818 7.806 314 HD2 LYS 39 HD2 LYS 39 90.779 -4.740 7.769 315 HD3 LYS 39 HD1 LYS 39 91.695 -3.956 6.480 316 HE2 LYS 39 HE2 LYS 39 92.641 -3.602 8.799 317 HE3 LYS 39 HE1 LYS 39 92.288 -2.115 7.918 318 HZ1 LYS 39 HZ1 LYS 39 90.525 -1.632 9.243 319 HZ2 LYS 39 HZ2 LYS 39 91.466 -2.487 10.370 320 HZ3 LYS 39 HZ3 LYS 39 90.172 -3.256 9.583 321 H SER 40 HN SER 40 89.541 -6.079 4.741 322 HA SER 40 HA SER 40 88.781 -6.656 1.968 323 HG SER 40 HG SER 40 91.074 -7.793 4.062 324 HB2 SER 40 HB2 SER 40 89.105 -8.544 4.318 325 HB3 SER 40 HB1 SER 40 89.013 -9.001 2.620 326 H LYS 41 HN LYS 41 86.980 -8.451 1.758 327 HA LYS 41 HA LYS 41 84.630 -7.606 3.418 328 HB2 LYS 41 HB2 LYS 41 84.711 -8.409 0.492 329 HB3 LYS 41 HB1 LYS 41 83.243 -8.063 1.406 330 HG2 LYS 41 HG2 LYS 41 83.590 -5.962 0.536 331 HG3 LYS 41 HG1 LYS 41 84.614 -5.817 1.965 332 HD2 LYS 41 HD2 LYS 41 86.091 -5.137 0.302 333 HD3 LYS 41 HD1 LYS 41 86.449 -6.863 0.378 334 HE2 LYS 41 HE2 LYS 41 86.168 -6.448 -1.931 335 HE3 LYS 41 HE1 LYS 41 84.617 -7.120 -1.431 336 HZ1 LYS 41 HZ1 LYS 41 84.833 -4.861 -2.783 337 HZ2 LYS 41 HZ2 LYS 41 84.921 -4.235 -1.207 338 HZ3 LYS 41 HZ3 LYS 41 83.574 -5.153 -1.685 339 HA PRO 42 HA PRO 42 85.151 -12.164 3.870 340 HB2 PRO 42 HB2 PRO 42 85.032 -12.269 6.577 341 HB3 PRO 42 HB1 PRO 42 86.521 -11.842 5.712 342 HG2 PRO 42 HG2 PRO 42 84.601 -10.095 7.143 343 HG3 PRO 42 HG1 PRO 42 86.359 -9.958 6.989 344 HD2 PRO 42 HD2 PRO 42 84.480 -8.505 5.497 345 HD3 PRO 42 HD1 PRO 42 86.198 -8.697 5.088 346 HA PRO 43 HA PRO 43 80.877 -13.229 4.234 347 HB2 PRO 43 HB2 PRO 43 81.030 -15.544 5.789 348 HB3 PRO 43 HB1 PRO 43 81.284 -15.473 4.036 349 HG2 PRO 43 HG2 PRO 43 83.279 -15.557 6.231 350 HG3 PRO 43 HG1 PRO 43 83.330 -16.301 4.624 351 HD2 PRO 43 HD2 PRO 43 84.747 -14.062 5.211 352 HD3 PRO 43 HD1 PRO 43 84.067 -14.347 3.592 353 H LYS 44 HN LYS 44 79.090 -13.565 5.847 354 HA LYS 44 HA LYS 44 79.058 -11.685 7.903 355 HB2 LYS 44 HB2 LYS 44 77.524 -14.247 7.491 356 HB3 LYS 44 HB1 LYS 44 77.248 -13.264 8.929 357 HG2 LYS 44 HG2 LYS 44 77.249 -11.927 6.244 358 HG3 LYS 44 HG1 LYS 44 75.825 -12.842 6.739 359 HD2 LYS 44 HD2 LYS 44 77.035 -10.892 8.669 360 HD3 LYS 44 HD1 LYS 44 76.034 -10.280 7.352 361 HE2 LYS 44 HE2 LYS 44 74.121 -11.391 8.114 362 HE3 LYS 44 HE1 LYS 44 75.054 -12.571 9.035 363 HZ1 LYS 44 HZ1 LYS 44 75.726 -10.765 10.532 364 HZ2 LYS 44 HZ2 LYS 44 74.043 -10.996 10.519 365 HZ3 LYS 44 HZ3 LYS 44 74.730 -9.690 9.677 366 H LYS 45 HN LYS 45 78.617 -12.481 10.344 367 HA LYS 45 HA LYS 45 79.706 -13.148 12.312 368 HB2 LYS 45 HB2 LYS 45 80.267 -15.548 10.543 369 HB3 LYS 45 HB1 LYS 45 80.559 -15.506 12.282 370 HG2 LYS 45 HG2 LYS 45 78.237 -15.227 12.765 371 HG3 LYS 45 HG1 LYS 45 77.857 -14.873 11.079 372 HD2 LYS 45 HD2 LYS 45 77.226 -17.193 11.693 373 HD3 LYS 45 HD1 LYS 45 78.465 -17.163 10.438 374 HE2 LYS 45 HE2 LYS 45 78.811 -18.782 12.432 375 HE3 LYS 45 HE1 LYS 45 80.176 -17.778 11.943 376 HZ1 LYS 45 HZ1 LYS 45 79.618 -17.858 14.401 377 HZ2 LYS 45 HZ2 LYS 45 78.264 -16.904 14.022 378 HZ3 LYS 45 HZ3 LYS 45 79.830 -16.322 13.715 379 H GLY 46 HN GLY 46 81.212 -11.296 11.221 380 HA2 GLY 46 HA2 GLY 46 83.957 -12.241 11.705 381 HA3 GLY 46 HA1 GLY 46 83.659 -11.594 10.091 382 H VAL 47 HN VAL 47 85.368 -10.494 12.251 383 HA VAL 47 HA VAL 47 85.847 -8.407 13.207 384 HB VAL 47 HB VAL 47 83.805 -7.434 11.186 385 HG11 VAL 47 HG11 VAL 47 85.322 -5.373 11.318 386 HG12 VAL 47 HG12 VAL 47 86.004 -6.097 12.774 387 HG13 VAL 47 HG13 VAL 47 84.293 -5.673 12.719 388 HG21 VAL 47 HG21 VAL 47 85.898 -7.003 9.810 389 HG22 VAL 47 HG22 VAL 47 85.479 -8.705 10.010 390 HG23 VAL 47 HG23 VAL 47 86.775 -7.997 10.974 391 H GLN 48 HN GLN 48 84.868 -6.640 14.533 392 HA GLN 48 HA GLN 48 82.585 -7.681 16.046 393 HB2 GLN 48 HB2 GLN 48 82.973 -5.639 17.462 394 HB3 GLN 48 HB1 GLN 48 84.400 -6.661 17.292 395 HG2 GLN 48 HG2 GLN 48 85.173 -5.188 15.421 396 HG3 GLN 48 HG1 GLN 48 83.804 -4.123 15.743 397 HE21 GLN 48 HE21 GLN 48 84.035 -4.678 18.727 398 HE22 GLN 48 HE22 GLN 48 85.364 -3.753 19.235 399 H GLY 49 HN GLY 49 81.643 -7.208 13.542 400 HA2 GLY 49 HA2 GLY 49 79.556 -6.214 12.846 401 HA3 GLY 49 HA1 GLY 49 79.827 -4.902 13.994 402 H1U RCY 50 H1U RCY 50 83.229 1.897 7.845 403 H1S RCY 50 H1S RCY 50 78.898 0.136 9.088 404 HB1 RCY 50 HB1 RCY 50 80.328 -3.402 9.826 405 HB2 RCY 50 HB2 RCY 50 81.118 -1.910 9.321 406 HA RCY 50 HA RCY 50 82.532 -2.966 10.972 407 HN1 RCY 50 HN1 RCY 50 80.698 -3.025 13.209 408 H GLY 51 HN GLY 51 83.839 -1.453 11.906 409 HA2 GLY 51 HA2 GLY 51 84.487 0.514 13.029 410 HA3 GLY 51 HA1 GLY 51 83.331 1.275 11.936 411 H ASP 52 HN ASP 52 83.380 -0.585 14.996 412 HA ASP 52 HA ASP 52 80.819 0.590 15.817 413 HB2 ASP 52 HB2 ASP 52 81.185 -0.698 17.902 414 HB3 ASP 52 HB1 ASP 52 81.382 -1.716 16.474 415 H ASP 53 HN ASP 53 83.504 2.137 15.422 416 HA ASP 53 HA ASP 53 84.190 3.159 18.036 417 HB2 ASP 53 HB2 ASP 53 85.689 3.288 16.033 418 HB3 ASP 53 HB1 ASP 53 84.592 4.479 15.334 419 H ILE 54 HN ILE 54 82.980 5.236 15.427 420 HA ILE 54 HA ILE 54 81.143 6.498 17.419 421 HB ILE 54 HB ILE 54 82.420 7.617 14.910 422 HG12 ILE 54 HG12 ILE 54 82.757 8.407 17.819 423 HG13 ILE 54 HG11 ILE 54 83.871 7.345 16.956 424 HG21 ILE 54 HG21 ILE 54 81.391 9.776 15.761 425 HG22 ILE 54 HG22 ILE 54 80.431 8.794 16.867 426 HG23 ILE 54 HG23 ILE 54 80.238 8.604 15.124 427 HD11 ILE 54 HD11 ILE 54 83.184 10.194 16.174 428 HD12 ILE 54 HD12 ILE 54 84.284 9.130 15.297 429 HD13 ILE 54 HD13 ILE 54 84.690 9.668 16.927 430 HA PRO 55 HA PRO 55 78.052 4.734 14.632 431 HB2 PRO 55 HB2 PRO 55 75.850 5.325 16.106 432 HB3 PRO 55 HB1 PRO 55 76.963 4.014 16.547 433 HG2 PRO 55 HG2 PRO 55 76.744 6.757 17.676 434 HG3 PRO 55 HG1 PRO 55 77.061 5.220 18.496 435 HD2 PRO 55 HD2 PRO 55 79.025 7.060 17.846 436 HD3 PRO 55 HD1 PRO 55 79.326 5.326 18.092 437 H GLY 56 HN GLY 56 78.542 6.480 13.039 438 HA2 GLY 56 HA2 GLY 56 77.411 7.975 11.541 439 HA3 GLY 56 HA1 GLY 56 76.261 8.353 12.825 440 H MET 57 HN MET 57 79.176 9.320 11.282 441 HA MET 57 HA MET 57 80.465 10.854 13.257 442 HB2 MET 57 HB2 MET 57 80.114 11.843 10.423 443 HB3 MET 57 HB1 MET 57 81.505 12.044 11.488 444 HG2 MET 57 HG2 MET 57 80.559 9.495 10.157 445 HG3 MET 57 HG1 MET 57 82.092 10.331 9.911 446 HE1 MET 57 HE1 MET 57 80.683 7.248 11.467 447 HE2 MET 57 HE2 MET 57 82.336 6.759 11.831 448 HE3 MET 57 HE3 MET 57 81.960 7.474 10.265 449 H GLU 58 HN GLU 58 78.479 12.477 10.774 450 HA GLU 58 HA GLU 58 77.851 14.631 12.627 451 HB2 GLU 58 HB2 GLU 58 76.490 14.094 9.979 452 HB3 GLU 58 HB1 GLU 58 76.707 15.643 10.794 453 HG2 GLU 58 HG2 GLU 58 78.895 13.920 9.595 454 HG3 GLU 58 HG1 GLU 58 78.321 15.469 8.975 455 H GLY 59 HN GLY 59 76.075 11.886 11.232 456 HA2 GLY 59 HA2 GLY 59 74.493 11.006 13.166 457 HA3 GLY 59 HA1 GLY 59 73.717 12.569 12.905 458 H1U RCY 60 H1U RCY 60 73.263 10.021 2.146 459 H1S RCY 60 H1S RCY 60 75.295 11.385 5.362 460 HB1 RCY 60 HB1 RCY 60 74.112 12.280 7.710 461 HB2 RCY 60 HB2 RCY 60 73.377 10.968 6.787 462 HA RCY 60 HA RCY 60 72.335 10.951 8.949 463 HN1 RCY 60 HN1 RCY 60 74.992 11.579 9.995 464 H GLY 61 HN GLY 61 75.223 9.176 9.859 465 HA2 GLY 61 HA2 GLY 61 74.969 6.765 8.519 466 HA3 GLY 61 HA1 GLY 61 75.457 6.854 10.212 467 H THR 62 HN THR 62 73.266 7.596 11.554 468 HA THR 62 HA THR 62 71.368 6.602 12.533 469 HB THR 62 HB THR 62 69.509 6.258 10.775 470 HG1 THR 62 HG1 THR 62 70.502 7.685 8.880 471 HG21 THR 62 HG21 THR 62 69.682 8.304 12.076 472 HG22 THR 62 HG22 THR 62 69.335 8.725 10.399 473 HG23 THR 62 HG23 THR 62 70.972 8.900 11.031 474 H ASP 63 HN ASP 63 71.731 4.571 13.362 475 HA ASP 63 HA ASP 63 72.624 2.286 12.012 476 HB2 ASP 63 HB2 ASP 63 71.341 0.994 13.808 477 HB3 ASP 63 HB1 ASP 63 72.478 2.204 14.403 478 H ILE 64 HN ILE 64 69.301 3.490 12.361 479 HA ILE 64 HA ILE 64 68.469 2.395 9.866 480 HB ILE 64 HB ILE 64 68.504 0.214 10.791 481 HG12 ILE 64 HG12 ILE 64 65.675 0.852 11.496 482 HG13 ILE 64 HG11 ILE 64 66.206 1.252 9.862 483 HG21 ILE 64 HG21 ILE 64 68.851 0.731 13.117 484 HG22 ILE 64 HG22 ILE 64 67.381 -0.239 13.017 485 HG23 ILE 64 HG23 ILE 64 67.272 1.508 13.237 486 HD11 ILE 64 HD11 ILE 64 66.980 -1.059 9.531 487 HD12 ILE 64 HD12 ILE 64 65.273 -1.040 9.973 488 HD13 ILE 64 HD13 ILE 64 66.490 -1.468 11.175 489 H THR 65 HN THR 65 67.863 4.707 10.054 490 HA THR 65 HA THR 65 65.833 5.569 11.886 491 HB THR 65 HB THR 65 66.528 6.574 9.103 492 HG1 THR 65 HG1 THR 65 67.256 7.363 11.725 493 HG21 THR 65 HG21 THR 65 64.635 7.561 11.221 494 HG22 THR 65 HG22 THR 65 64.384 7.438 9.480 495 HG23 THR 65 HG23 THR 65 65.423 8.704 10.133 496 H VAL 66 HN VAL 66 65.805 3.679 8.979 497 HA VAL 66 HA VAL 66 62.916 3.212 9.333 498 HB VAL 66 HB VAL 66 63.846 3.787 6.535 499 HG11 VAL 66 HG11 VAL 66 61.560 2.793 7.322 500 HG12 VAL 66 HG12 VAL 66 61.557 4.073 6.109 501 HG13 VAL 66 HG13 VAL 66 61.194 4.452 7.793 502 HG21 VAL 66 HG21 VAL 66 62.939 5.863 8.556 503 HG22 VAL 66 HG22 VAL 66 63.152 6.151 6.830 504 HG23 VAL 66 HG23 VAL 66 64.545 5.758 7.836 505 H ILE 67 HN ILE 67 65.042 2.493 6.557 506 HA ILE 67 HA ILE 67 65.064 -0.368 7.396 507 HB ILE 67 HB ILE 67 64.474 0.515 4.563 508 HG12 ILE 67 HG12 ILE 67 62.560 -0.396 6.737 509 HG13 ILE 67 HG11 ILE 67 62.632 1.222 6.037 510 HG21 ILE 67 HG21 ILE 67 64.046 -1.776 4.152 511 HG22 ILE 67 HG22 ILE 67 63.930 -2.150 5.872 512 HG23 ILE 67 HG23 ILE 67 65.499 -1.785 5.152 513 HD11 ILE 67 HD11 ILE 67 61.889 -1.352 4.623 514 HD12 ILE 67 HD12 ILE 67 62.185 0.171 3.783 515 HD13 ILE 67 HD13 ILE 67 60.848 0.039 4.925 516 H1U RCY 68 H1U RCY 68 72.208 3.391 2.392 517 H1S RCY 68 H1S RCY 68 71.071 3.538 6.788 518 HB1 RCY 68 HB1 RCY 68 70.860 -0.175 7.446 519 HB2 RCY 68 HB2 RCY 68 69.480 -0.311 8.530 520 HA RCY 68 HA RCY 68 69.111 0.623 5.688 521 HN1 RCY 68 HN1 RCY 68 67.289 -0.374 7.807 522 HA PRO 69 HA PRO 69 70.161 -3.025 3.479 523 HB2 PRO 69 HB2 PRO 69 72.697 -3.010 5.097 524 HB3 PRO 69 HB1 PRO 69 72.478 -3.323 3.362 525 HG2 PRO 69 HG2 PRO 69 73.260 -0.932 4.305 526 HG3 PRO 69 HG1 PRO 69 72.254 -1.099 2.858 527 HD2 PRO 69 HD2 PRO 69 71.529 0.011 5.477 528 HD3 PRO 69 HD1 PRO 69 70.645 0.109 3.938 529 H TRP 70 HN TRP 70 71.314 -3.365 6.878 530 HA TRP 70 HA TRP 70 70.812 -6.214 6.888 531 HD1 TRP 70 HD1 TRP 70 69.342 -3.332 9.399 532 HE1 TRP 70 HE1 TRP 70 70.229 -1.008 10.071 533 HE3 TRP 70 HE3 TRP 70 74.359 -4.113 8.855 534 HZ2 TRP 70 HZ2 TRP 70 72.740 0.345 10.343 535 HZ3 TRP 70 HZ3 TRP 70 75.972 -2.295 9.325 536 HH2 TRP 70 HH2 TRP 70 75.173 -0.070 10.067 537 HB2 TRP 70 HB2 TRP 70 70.939 -5.803 9.471 538 HB3 TRP 70 HB1 TRP 70 72.386 -5.561 8.496 539 H GLU 71 HN GLU 71 68.533 -4.728 5.961 540 HA GLU 71 HA GLU 71 66.491 -5.930 7.647 541 HB2 GLU 71 HB2 GLU 71 67.228 -3.148 8.061 542 HB3 GLU 71 HB1 GLU 71 65.555 -3.266 7.517 543 HG2 GLU 71 HG2 GLU 71 66.665 -4.988 9.744 544 HG3 GLU 71 HG1 GLU 71 65.911 -3.421 10.041 545 H ALA 72 HN ALA 72 67.430 -3.951 4.904 546 HA ALA 72 HA ALA 72 64.812 -4.028 3.632 547 HB1 ALA 72 HB1 ALA 72 66.246 -2.225 2.989 548 HB2 ALA 72 HB2 ALA 72 66.172 -3.299 1.593 549 HB3 ALA 72 HB3 ALA 72 67.585 -3.321 2.648 550 H1U RCY 73 H1U RCY 73 70.131 -2.496 3.541 551 H1S RCY 73 H1S RCY 73 69.645 -5.317 0.195 552 HB1 RCY 73 HB1 RCY 73 67.442 -7.458 -0.998 553 HB2 RCY 73 HB2 RCY 73 68.818 -7.002 0.007 554 HA RCY 73 HA RCY 73 65.957 -7.382 0.762 555 HN1 RCY 73 HN1 RCY 73 67.335 -4.958 1.518 556 H ASN 74 HN ASN 74 69.341 -7.067 1.883 557 HA ASN 74 HA ASN 74 69.134 -8.828 4.092 558 HB2 ASN 74 HB2 ASN 74 69.300 -10.133 1.443 559 HB3 ASN 74 HB1 ASN 74 70.490 -10.709 2.609 560 HD21 ASN 74 HD21 ASN 74 69.129 -10.637 5.019 561 HD22 ASN 74 HD22 ASN 74 67.756 -11.633 4.958 562 H HIS 75 HN HIS 75 71.519 -9.966 4.338 563 HA HIS 75 HA HIS 75 73.363 -7.688 4.245 564 HD1 HIS 75 HD1 HIS 75 75.251 -11.631 4.228 565 HD2 HIS 75 HD2 HIS 75 71.623 -11.270 6.255 566 HE1 HIS 75 HE1 HIS 75 74.275 -13.964 4.369 567 HE2 HIS 75 HE2 HIS 75 72.066 -13.758 5.601 568 HB2 HIS 75 HB2 HIS 75 74.926 -9.325 5.380 569 HB3 HIS 75 HB1 HIS 75 73.410 -9.047 6.236 570 H1U RCY 76 H1U RCY 76 74.898 -3.188 5.111 571 H1S RCY 76 H1S RCY 76 74.424 -6.799 1.952 572 HB1 RCY 76 HB1 RCY 76 75.117 -7.196 -0.139 573 HB2 RCY 76 HB2 RCY 76 76.192 -8.538 -0.524 574 HA RCY 76 HA RCY 76 73.684 -9.078 -0.378 575 HN1 RCY 76 HN1 RCY 76 72.843 -8.204 1.665 576 H GLU 77 HN GLU 77 73.277 -11.349 -0.157 577 HA GLU 77 HA GLU 77 74.960 -13.139 1.303 578 HB2 GLU 77 HB2 GLU 77 72.610 -13.444 0.018 579 HB3 GLU 77 HB1 GLU 77 73.679 -14.105 -1.218 580 HG2 GLU 77 HG2 GLU 77 74.710 -15.548 0.601 581 HG3 GLU 77 HG1 GLU 77 73.395 -15.024 1.654 582 H LEU 78 HN LEU 78 75.630 -15.038 -0.789 583 HA LEU 78 HA LEU 78 78.059 -13.678 -1.840 584 HG LEU 78 HG LEU 78 79.258 -16.516 0.075 585 HB2 LEU 78 HB2 LEU 78 77.315 -16.540 -1.270 586 HB3 LEU 78 HB1 LEU 78 78.604 -16.194 -2.419 587 HD11 LEU 78 HD11 LEU 78 80.830 -14.431 -0.146 588 HD12 LEU 78 HD12 LEU 78 80.088 -14.262 -1.737 589 HD13 LEU 78 HD13 LEU 78 80.966 -15.735 -1.325 590 HD21 LEU 78 HD21 LEU 78 78.459 -13.609 0.236 591 HD22 LEU 78 HD22 LEU 78 78.910 -14.697 1.549 592 HD23 LEU 78 HD23 LEU 78 77.354 -14.887 0.741 593 H HIS 79 HN HIS 79 77.984 -13.001 -3.909 594 HA HIS 79 HA HIS 79 77.138 -12.716 -6.091 595 HD1 HIS 79 HD1 HIS 79 78.643 -16.128 -4.158 596 HD2 HIS 79 HD2 HIS 79 75.917 -17.053 -7.176 597 HE1 HIS 79 HE1 HIS 79 77.767 -18.448 -3.644 598 HE2 HIS 79 HE2 HIS 79 76.106 -19.023 -5.474 599 HB2 HIS 79 HB2 HIS 79 77.441 -14.718 -7.471 600 HB3 HIS 79 HB1 HIS 79 78.772 -14.565 -6.326 601 H GLU 80 HN GLU 80 74.978 -12.036 -5.654 602 HA GLU 80 HA GLU 80 72.945 -13.884 -6.608 603 HB2 GLU 80 HB2 GLU 80 73.283 -14.407 -4.100 604 HB3 GLU 80 HB1 GLU 80 72.540 -12.836 -3.804 605 HG2 GLU 80 HG2 GLU 80 70.714 -14.333 -3.749 606 HG3 GLU 80 HG1 GLU 80 70.652 -13.658 -5.377 607 H LEU 81 HN LEU 81 72.891 -11.036 -4.427 608 HA LEU 81 HA LEU 81 71.056 -9.702 -6.339 609 HG LEU 81 HG LEU 81 71.050 -10.810 -3.162 610 HB2 LEU 81 HB2 LEU 81 71.987 -8.665 -3.652 611 HB3 LEU 81 HB1 LEU 81 70.558 -8.175 -4.562 612 HD11 LEU 81 HD11 LEU 81 69.086 -10.237 -1.914 613 HD12 LEU 81 HD12 LEU 81 68.699 -8.910 -3.009 614 HD13 LEU 81 HD13 LEU 81 70.095 -8.791 -1.937 615 HD21 LEU 81 HD21 LEU 81 70.103 -11.471 -5.242 616 HD22 LEU 81 HD22 LEU 81 69.039 -10.066 -5.293 617 HD23 LEU 81 HD23 LEU 81 68.731 -11.363 -4.139 618 H ALA 82 HN ALA 82 74.124 -10.050 -6.597 619 HA ALA 82 HA ALA 82 75.248 -7.400 -6.398 620 HB1 ALA 82 HB1 ALA 82 77.110 -8.299 -7.658 621 HB2 ALA 82 HB2 ALA 82 76.129 -9.645 -8.237 622 HB3 ALA 82 HB3 ALA 82 76.572 -9.546 -6.534 623 H GLN 83 HN GLN 83 72.722 -7.236 -7.670 624 HA GLN 83 HA GLN 83 72.745 -7.207 -10.494 625 HB2 GLN 83 HB2 GLN 83 71.267 -5.478 -8.495 626 HB3 GLN 83 HB1 GLN 83 70.974 -5.394 -10.231 627 HG2 GLN 83 HG2 GLN 83 70.977 -8.152 -9.325 628 HG3 GLN 83 HG1 GLN 83 69.802 -7.198 -8.420 629 HE21 GLN 83 HE21 GLN 83 68.544 -5.567 -10.039 630 HE22 GLN 83 HE22 GLN 83 67.967 -6.303 -11.455 631 H TYR 84 HN TYR 84 73.758 -5.911 -11.954 632 HA TYR 84 HA TYR 84 75.284 -4.279 -12.720 633 HD1 TYR 84 HD2 TYR 84 74.378 -2.722 -14.600 634 HD2 TYR 84 HD1 TYR 84 71.294 -3.389 -11.685 635 HE1 TYR 84 HE2 TYR 84 72.736 -3.089 -16.422 636 HE2 TYR 84 HE1 TYR 84 69.652 -3.757 -13.507 637 HH TYR 84 HH TYR 84 69.391 -3.132 -15.898 638 HB2 TYR 84 HB2 TYR 84 73.419 -2.628 -10.989 639 HB3 TYR 84 HB1 TYR 84 74.558 -1.953 -12.154 640 H GLY 85 HN GLY 85 75.694 -5.550 -9.895 641 HA2 GLY 85 HA2 GLY 85 77.620 -3.481 -8.906 642 HA3 GLY 85 HA1 GLY 85 76.797 -4.622 -7.842 643 H ILE 86 HN ILE 86 78.170 -5.473 -10.988 644 HA ILE 86 HA ILE 86 79.812 -7.525 -9.655 645 HB ILE 86 HB ILE 86 80.477 -7.981 -12.141 646 HG12 ILE 86 HG12 ILE 86 78.788 -7.141 -13.754 647 HG13 ILE 86 HG11 ILE 86 78.056 -6.178 -12.470 648 HG21 ILE 86 HG21 ILE 86 78.877 -9.318 -10.733 649 HG22 ILE 86 HG22 ILE 86 78.477 -9.316 -12.450 650 HG23 ILE 86 HG23 ILE 86 77.572 -8.295 -11.332 651 HD11 ILE 86 HD11 ILE 86 79.894 -4.732 -12.328 652 HD12 ILE 86 HD12 ILE 86 79.798 -5.046 -14.061 653 HD13 ILE 86 HD13 ILE 86 80.989 -5.895 -13.075 654 H1U RCY 87 H1U RCY 87 81.691 -1.947 -3.636 655 H1S RCY 87 H1S RCY 87 84.191 -1.978 -6.826 656 HB1 RCY 87 HB1 RCY 87 81.777 -2.984 -8.268 657 HB2 RCY 87 HB2 RCY 87 81.514 -2.141 -9.795 658 HA RCY 87 HA RCY 87 82.671 -3.869 -11.026 659 HN1 RCY 87 HN1 RCY 87 80.344 -4.517 -9.539 Start of MODEL 14 1 HA MET 1 HA MET 1 66.104 -16.502 -16.810 2 HB2 MET 1 HB2 MET 1 64.986 -16.984 -14.030 3 HB3 MET 1 HB1 MET 1 64.060 -17.067 -15.529 4 HG2 MET 1 HG2 MET 1 66.497 -18.771 -14.941 5 HG3 MET 1 HG1 MET 1 64.833 -19.311 -14.718 6 HE1 MET 1 HE1 MET 1 66.506 -21.026 -17.880 7 HE2 MET 1 HE2 MET 1 65.371 -21.439 -16.597 8 HE3 MET 1 HE3 MET 1 66.922 -20.710 -16.191 9 H ASN 2 HN ASN 2 64.405 -15.291 -14.056 10 HA ASN 2 HA ASN 2 64.986 -12.471 -14.751 11 HB2 ASN 2 HB2 ASN 2 62.315 -13.833 -15.108 12 HB3 ASN 2 HB1 ASN 2 62.418 -12.099 -14.804 13 HD21 ASN 2 HD21 ASN 2 62.454 -10.906 -16.706 14 HD22 ASN 2 HD22 ASN 2 63.129 -11.424 -18.175 15 H LEU 3 HN LEU 3 63.370 -11.089 -13.226 16 HA LEU 3 HA LEU 3 63.965 -12.040 -10.504 17 HG LEU 3 HG LEU 3 64.809 -10.211 -9.277 18 HB2 LEU 3 HB2 LEU 3 64.097 -9.581 -11.547 19 HB3 LEU 3 HB1 LEU 3 62.417 -9.526 -11.014 20 HD11 LEU 3 HD11 LEU 3 64.580 -7.802 -9.885 21 HD12 LEU 3 HD12 LEU 3 64.318 -8.090 -8.165 22 HD13 LEU 3 HD13 LEU 3 62.941 -7.820 -9.234 23 HD21 LEU 3 HD21 LEU 3 62.940 -11.465 -8.471 24 HD22 LEU 3 HD22 LEU 3 61.829 -10.126 -8.755 25 HD23 LEU 3 HD23 LEU 3 63.017 -10.025 -7.455 26 H GLU 4 HN GLU 4 62.515 -13.522 -9.722 27 HA GLU 4 HA GLU 4 59.662 -13.307 -10.448 28 HB2 GLU 4 HB2 GLU 4 61.073 -15.322 -8.674 29 HB3 GLU 4 HB1 GLU 4 59.425 -15.452 -9.290 30 HG2 GLU 4 HG2 GLU 4 61.849 -15.209 -11.089 31 HG3 GLU 4 HG1 GLU 4 61.156 -16.758 -10.606 32 HA PRO 5 HA PRO 5 58.137 -10.963 -7.017 33 HB2 PRO 5 HB2 PRO 5 56.481 -13.413 -6.500 34 HB3 PRO 5 HB1 PRO 5 55.985 -11.710 -6.543 35 HG2 PRO 5 HG2 PRO 5 55.558 -13.381 -8.598 36 HG3 PRO 5 HG1 PRO 5 55.883 -11.656 -8.825 37 HD2 PRO 5 HD2 PRO 5 57.595 -13.961 -9.484 38 HD3 PRO 5 HD1 PRO 5 57.709 -12.280 -10.047 39 HA PRO 6 HA PRO 6 60.596 -13.252 -3.891 40 HB2 PRO 6 HB2 PRO 6 62.091 -11.193 -3.023 41 HB3 PRO 6 HB1 PRO 6 62.416 -11.972 -4.585 42 HG2 PRO 6 HG2 PRO 6 61.069 -9.388 -4.014 43 HG3 PRO 6 HG1 PRO 6 62.148 -9.832 -5.346 44 HD2 PRO 6 HD2 PRO 6 59.341 -9.743 -5.480 45 HD3 PRO 6 HD1 PRO 6 60.409 -10.551 -6.648 46 H LYS 7 HN LYS 7 60.243 -13.415 -1.646 47 HA LYS 7 HA LYS 7 58.102 -11.703 -0.548 48 HB2 LYS 7 HB2 LYS 7 58.307 -13.280 1.426 49 HB3 LYS 7 HB1 LYS 7 57.872 -14.058 -0.096 50 HG2 LYS 7 HG2 LYS 7 59.984 -15.014 -0.368 51 HG3 LYS 7 HG1 LYS 7 60.770 -13.812 0.657 52 HD2 LYS 7 HD2 LYS 7 60.598 -16.030 1.773 53 HD3 LYS 7 HD1 LYS 7 59.718 -14.774 2.645 54 HE2 LYS 7 HE2 LYS 7 57.611 -15.514 1.726 55 HE3 LYS 7 HE1 LYS 7 58.425 -16.639 0.638 56 HZ1 LYS 7 HZ1 LYS 7 58.264 -18.148 2.231 57 HZ2 LYS 7 HZ2 LYS 7 57.657 -17.011 3.337 58 HZ3 LYS 7 HZ3 LYS 7 59.334 -17.231 3.176 59 H ALA 8 HN ALA 8 58.734 -11.574 2.130 60 HA ALA 8 HA ALA 8 61.410 -10.764 2.722 61 HB1 ALA 8 HB1 ALA 8 61.150 -8.894 1.274 62 HB2 ALA 8 HB2 ALA 8 60.869 -8.255 2.893 63 HB3 ALA 8 HB3 ALA 8 59.503 -8.595 1.831 64 H GLU 9 HN GLU 9 58.128 -11.162 3.471 65 HA GLU 9 HA GLU 9 56.933 -11.049 5.495 66 HB2 GLU 9 HB2 GLU 9 58.738 -12.759 5.981 67 HB3 GLU 9 HB1 GLU 9 59.675 -11.460 6.720 68 HG2 GLU 9 HG2 GLU 9 58.462 -12.559 8.489 69 HG3 GLU 9 HG1 GLU 9 57.686 -10.999 8.213 70 H1U RCY 10 H1U RCY 10 54.244 -11.356 3.015 71 H1S RCY 10 H1S RCY 10 54.652 -9.084 6.756 72 HB1 RCY 10 HB1 RCY 10 55.763 -6.580 4.999 73 HB2 RCY 10 HB2 RCY 10 56.197 -5.294 6.123 74 HA RCY 10 HA RCY 10 58.152 -6.612 5.994 75 HN1 RCY 10 HN1 RCY 10 56.513 -8.738 5.212 76 H ARG 11 HN ARG 11 57.529 -5.212 8.084 77 HA ARG 11 HA ARG 11 57.353 -7.016 10.457 78 HE ARG 11 HE ARG 11 61.352 -5.658 10.378 79 HB2 ARG 11 HB2 ARG 11 59.767 -6.375 9.805 80 HB3 ARG 11 HB1 ARG 11 59.339 -4.744 10.319 81 HG2 ARG 11 HG2 ARG 11 58.518 -5.845 12.504 82 HG3 ARG 11 HG1 ARG 11 59.424 -7.265 11.977 83 HD2 ARG 11 HD2 ARG 11 60.442 -4.550 12.752 84 HD3 ARG 11 HD1 ARG 11 61.038 -6.141 13.226 85 HH11 ARG 11 HH21 ARG 11 62.612 -5.108 13.539 86 HH12 ARG 11 HH22 ARG 11 64.244 -4.898 12.997 87 HH21 ARG 11 HH11 ARG 11 63.475 -5.388 9.651 88 HH22 ARG 11 HH12 ARG 11 64.732 -5.057 10.796 89 H SER 12 HN SER 12 57.302 -3.665 9.244 90 HA SER 12 HA SER 12 55.039 -3.104 11.062 91 HG SER 12 HG SER 12 57.915 -0.726 10.570 92 HB2 SER 12 HB2 SER 12 56.199 -0.962 11.810 93 HB3 SER 12 HB1 SER 12 56.845 -2.451 12.494 94 H ALA 13 HN ALA 13 57.351 -1.293 8.999 95 HA ALA 13 HA ALA 13 56.937 0.192 7.230 96 HB1 ALA 13 HB1 ALA 13 55.364 -0.529 5.598 97 HB2 ALA 13 HB2 ALA 13 54.370 -1.344 6.806 98 HB3 ALA 13 HB3 ALA 13 55.939 -2.012 6.359 99 H THR 14 HN THR 14 56.480 2.198 8.054 100 HA THR 14 HA THR 14 53.672 2.994 8.261 101 HB THR 14 HB THR 14 55.399 3.369 10.716 102 HG1 THR 14 HG1 THR 14 54.523 1.566 11.538 103 HG21 THR 14 HG21 THR 14 53.369 4.040 11.762 104 HG22 THR 14 HG22 THR 14 52.391 3.407 10.438 105 HG23 THR 14 HG23 THR 14 53.376 4.850 10.196 106 H ARG 15 HN ARG 15 57.091 3.804 8.679 107 HA ARG 15 HA ARG 15 56.887 6.147 7.042 108 HE ARG 15 HE ARG 15 57.014 6.058 12.997 109 HB2 ARG 15 HB2 ARG 15 57.401 7.814 8.891 110 HB3 ARG 15 HB1 ARG 15 55.748 7.200 8.878 111 HG2 ARG 15 HG2 ARG 15 56.384 5.513 10.590 112 HG3 ARG 15 HG1 ARG 15 58.008 6.199 10.637 113 HD2 ARG 15 HD2 ARG 15 57.099 8.360 11.358 114 HD3 ARG 15 HD1 ARG 15 55.459 7.720 11.260 115 HH11 ARG 15 HH21 ARG 15 55.584 9.183 12.725 116 HH12 ARG 15 HH22 ARG 15 55.347 9.370 14.431 117 HH21 ARG 15 HH11 ARG 15 56.713 6.283 15.226 118 HH22 ARG 15 HH12 ARG 15 55.986 7.728 15.847 119 H VAL 16 HN VAL 16 58.932 6.613 6.325 120 HA VAL 16 HA VAL 16 61.141 4.974 7.087 121 HB VAL 16 HB VAL 16 61.422 7.691 5.796 122 HG11 VAL 16 HG11 VAL 16 63.404 6.168 6.414 123 HG12 VAL 16 HG12 VAL 16 63.324 6.730 4.744 124 HG13 VAL 16 HG13 VAL 16 62.816 5.090 5.148 125 HG21 VAL 16 HG21 VAL 16 60.333 5.116 4.637 126 HG22 VAL 16 HG22 VAL 16 61.027 6.386 3.628 127 HG23 VAL 16 HG23 VAL 16 59.594 6.717 4.601 128 H MET 17 HN MET 17 62.664 7.850 7.056 129 HA MET 17 HA MET 17 62.348 8.443 9.947 130 HB2 MET 17 HB2 MET 17 64.173 6.673 9.576 131 HB3 MET 17 HB1 MET 17 65.088 7.946 8.768 132 HG2 MET 17 HG2 MET 17 65.010 9.330 10.780 133 HG3 MET 17 HG1 MET 17 64.001 8.134 11.593 134 HE1 MET 17 HE1 MET 17 66.817 7.084 13.711 135 HE2 MET 17 HE2 MET 17 65.089 6.892 13.424 136 HE3 MET 17 HE3 MET 17 65.795 8.506 13.463 137 H GLY 18 HN GLY 18 64.286 9.226 7.037 138 HA2 GLY 18 HA2 GLY 18 64.390 12.057 7.883 139 HA3 GLY 18 HA1 GLY 18 65.231 11.361 6.496 140 H GLY 19 HN GLY 19 61.867 11.905 7.608 141 HA2 GLY 19 HA2 GLY 19 60.538 11.710 5.170 142 HA3 GLY 19 HA1 GLY 19 60.057 12.849 6.429 143 HA PRO 20 HA PRO 20 61.415 16.521 4.414 144 HB2 PRO 20 HB2 PRO 20 63.998 16.568 5.931 145 HB3 PRO 20 HB1 PRO 20 62.786 17.849 5.729 146 HG2 PRO 20 HG2 PRO 20 62.989 16.466 7.996 147 HG3 PRO 20 HG1 PRO 20 61.420 16.999 7.368 148 HD2 PRO 20 HD2 PRO 20 62.589 14.258 7.421 149 HD3 PRO 20 HD1 PRO 20 60.884 14.760 7.450 150 H1U RCY 21 H1U RCY 21 70.338 11.775 -0.626 151 H1S RCY 21 H1S RCY 21 68.062 15.417 1.345 152 HB1 RCY 21 HB1 RCY 21 66.586 12.948 2.694 153 HB2 RCY 21 HB2 RCY 21 65.911 13.310 4.282 154 HA RCY 21 HA RCY 21 64.824 14.789 1.917 155 HN1 RCY 21 HN1 RCY 21 63.478 13.775 4.394 156 H THR 22 HN THR 22 63.951 13.712 0.216 157 HA THR 22 HA THR 22 62.863 10.987 0.621 158 HB THR 22 HB THR 22 61.338 12.162 -0.676 159 HG1 THR 22 HG1 THR 22 63.032 11.461 -2.803 160 HG21 THR 22 HG21 THR 22 62.148 13.742 -2.522 161 HG22 THR 22 HG22 THR 22 63.759 13.556 -1.828 162 HG23 THR 22 HG23 THR 22 62.458 14.254 -0.863 163 HA PRO 23 HA PRO 23 66.421 9.048 -1.175 164 HB2 PRO 23 HB2 PRO 23 65.297 6.801 -2.253 165 HB3 PRO 23 HB1 PRO 23 65.504 7.034 -0.506 166 HG2 PRO 23 HG2 PRO 23 63.066 7.389 -2.178 167 HG3 PRO 23 HG1 PRO 23 63.235 6.683 -0.561 168 HD2 PRO 23 HD2 PRO 23 62.332 9.236 -0.982 169 HD3 PRO 23 HD1 PRO 23 63.198 8.746 0.491 170 H ARG 24 HN ARG 24 67.519 9.391 -3.074 171 HA ARG 24 HA ARG 24 66.372 8.923 -5.675 172 HE ARG 24 HE ARG 24 66.844 14.196 -2.991 173 HB2 ARG 24 HB2 ARG 24 66.438 11.319 -6.444 174 HB3 ARG 24 HB1 ARG 24 65.161 10.983 -5.277 175 HG2 ARG 24 HG2 ARG 24 66.413 11.964 -3.485 176 HG3 ARG 24 HG1 ARG 24 67.877 12.042 -4.466 177 HD2 ARG 24 HD2 ARG 24 67.041 13.797 -5.796 178 HD3 ARG 24 HD1 ARG 24 65.372 13.480 -5.324 179 HH11 ARG 24 HH21 ARG 24 65.694 15.468 -5.982 180 HH12 ARG 24 HH22 ARG 24 65.538 17.087 -5.386 181 HH21 ARG 24 HH11 ARG 24 66.646 16.303 -2.195 182 HH22 ARG 24 HH12 ARG 24 66.077 17.559 -3.242 183 H LYS 25 HN LYS 25 68.056 11.050 -6.924 184 HA LYS 25 HA LYS 25 70.598 9.589 -6.767 185 HB2 LYS 25 HB2 LYS 25 71.260 11.386 -8.513 186 HB3 LYS 25 HB1 LYS 25 70.033 10.208 -8.975 187 HG2 LYS 25 HG2 LYS 25 68.993 12.627 -7.625 188 HG3 LYS 25 HG1 LYS 25 69.706 12.908 -9.214 189 HD2 LYS 25 HD2 LYS 25 68.266 11.161 -10.182 190 HD3 LYS 25 HD1 LYS 25 67.560 10.855 -8.594 191 HE2 LYS 25 HE2 LYS 25 67.442 13.497 -10.081 192 HE3 LYS 25 HE1 LYS 25 66.117 12.340 -9.953 193 HZ1 LYS 25 HZ1 LYS 25 65.602 13.126 -7.963 194 HZ2 LYS 25 HZ2 LYS 25 66.757 14.354 -8.175 195 HZ3 LYS 25 HZ3 LYS 25 67.185 12.906 -7.395 196 H GLY 26 HN GLY 26 71.190 12.833 -7.443 197 HA2 GLY 26 HA2 GLY 26 72.563 14.371 -6.304 198 HA3 GLY 26 HA1 GLY 26 71.386 14.161 -5.006 199 HA PRO 27 HA PRO 27 74.885 10.954 -4.159 200 HB2 PRO 27 HB2 PRO 27 77.084 11.615 -5.972 201 HB3 PRO 27 HB1 PRO 27 76.222 10.079 -5.784 202 HG2 PRO 27 HG2 PRO 27 76.029 11.663 -7.978 203 HG3 PRO 27 HG1 PRO 27 74.752 10.558 -7.444 204 HD2 PRO 27 HD2 PRO 27 74.928 13.536 -7.110 205 HD3 PRO 27 HD1 PRO 27 73.504 12.519 -7.433 206 HA PRO 28 HA PRO 28 77.141 13.418 -1.253 207 HB2 PRO 28 HB2 PRO 28 79.506 11.729 -2.011 208 HB3 PRO 28 HB1 PRO 28 78.901 12.157 -0.398 209 HG2 PRO 28 HG2 PRO 28 78.435 9.764 -1.493 210 HG3 PRO 28 HG1 PRO 28 77.252 10.566 -0.447 211 HD2 PRO 28 HD2 PRO 28 77.145 10.106 -3.369 212 HD3 PRO 28 HD1 PRO 28 75.820 10.432 -2.230 213 H LYS 29 HN LYS 29 79.033 14.934 -1.126 214 HA LYS 29 HA LYS 29 79.807 15.895 -3.853 215 HB2 LYS 29 HB2 LYS 29 78.449 17.392 -2.258 216 HB3 LYS 29 HB1 LYS 29 79.925 17.506 -1.299 217 HG2 LYS 29 HG2 LYS 29 81.145 18.426 -3.190 218 HG3 LYS 29 HG1 LYS 29 79.753 18.188 -4.248 219 HD2 LYS 29 HD2 LYS 29 78.446 19.712 -2.695 220 HD3 LYS 29 HD1 LYS 29 79.976 20.088 -1.901 221 HE2 LYS 29 HE2 LYS 29 79.320 20.533 -4.829 222 HE3 LYS 29 HE1 LYS 29 79.505 21.783 -3.598 223 HZ1 LYS 29 HZ1 LYS 29 81.807 20.861 -3.256 224 HZ2 LYS 29 HZ2 LYS 29 81.545 21.672 -4.727 225 HZ3 LYS 29 HZ3 LYS 29 81.582 19.974 -4.684 226 H1U RCY 30 H1U RCY 30 84.066 8.626 -5.657 227 H1S RCY 30 H1S RCY 30 83.154 10.273 -1.474 228 HB1 RCY 30 HB1 RCY 30 82.270 12.842 -0.311 229 HB2 RCY 30 HB2 RCY 30 83.600 13.531 0.616 230 HA RCY 30 HA RCY 30 83.540 15.409 -0.632 231 HN1 RCY 30 HN1 RCY 30 81.023 14.331 -1.125 232 H LYS 31 HN LYS 31 82.403 13.870 -3.546 233 HA LYS 31 HA LYS 31 83.482 13.435 -5.590 234 HB2 LYS 31 HB2 LYS 31 84.922 15.869 -4.529 235 HB3 LYS 31 HB1 LYS 31 85.309 15.181 -6.105 236 HG2 LYS 31 HG2 LYS 31 82.437 15.717 -5.438 237 HG3 LYS 31 HG1 LYS 31 83.469 17.074 -5.890 238 HD2 LYS 31 HD2 LYS 31 83.536 14.600 -7.578 239 HD3 LYS 31 HD1 LYS 31 82.169 15.702 -7.747 240 HE2 LYS 31 HE2 LYS 31 83.753 17.577 -8.127 241 HE3 LYS 31 HE1 LYS 31 85.098 16.442 -8.021 242 HZ1 LYS 31 HZ1 LYS 31 82.872 16.170 -9.962 243 HZ2 LYS 31 HZ2 LYS 31 84.326 15.293 -9.929 244 HZ3 LYS 31 HZ3 LYS 31 84.337 16.946 -10.322 245 H GLN 32 HN GLN 32 84.436 11.932 -3.272 246 HA GLN 32 HA GLN 32 86.407 10.860 -2.443 247 HB2 GLN 32 HB2 GLN 32 87.337 9.436 -4.345 248 HB3 GLN 32 HB1 GLN 32 85.602 9.309 -4.069 249 HG2 GLN 32 HG2 GLN 32 85.135 10.827 -5.900 250 HG3 GLN 32 HG1 GLN 32 86.853 11.167 -6.110 251 HE21 GLN 32 HE21 GLN 32 87.890 9.906 -7.664 252 HE22 GLN 32 HE22 GLN 32 87.327 8.411 -8.237 253 H ARG 33 HN ARG 33 88.400 10.617 -5.026 254 HA ARG 33 HA ARG 33 90.539 11.507 -5.416 255 HE ARG 33 HE ARG 33 89.119 16.165 -6.861 256 HB2 ARG 33 HB2 ARG 33 88.793 13.956 -5.127 257 HB3 ARG 33 HB1 ARG 33 90.505 14.078 -5.535 258 HG2 ARG 33 HG2 ARG 33 90.228 13.024 -7.598 259 HG3 ARG 33 HG1 ARG 33 88.749 12.206 -7.094 260 HD2 ARG 33 HD2 ARG 33 88.227 14.027 -8.664 261 HD3 ARG 33 HD1 ARG 33 87.565 14.380 -7.068 262 HH11 ARG 33 HH21 ARG 33 89.779 14.100 -9.542 263 HH12 ARG 33 HH22 ARG 33 90.967 15.153 -10.232 264 HH21 ARG 33 HH11 ARG 33 90.668 17.553 -7.747 265 HH22 ARG 33 HH12 ARG 33 91.470 17.109 -9.216 266 H GLN 34 HN GLN 34 91.090 10.558 -3.214 267 HA GLN 34 HA GLN 34 92.232 10.772 -1.179 268 HB2 GLN 34 HB2 GLN 34 93.449 12.505 -2.722 269 HB3 GLN 34 HB1 GLN 34 92.598 13.707 -1.753 270 HG2 GLN 34 HG2 GLN 34 94.650 13.410 -0.615 271 HG3 GLN 34 HG1 GLN 34 93.510 12.419 0.296 272 HE21 GLN 34 HE21 GLN 34 96.092 11.626 0.608 273 HE22 GLN 34 HE22 GLN 34 96.438 10.241 -0.311 274 H THR 35 HN THR 35 90.176 10.468 -0.055 275 HA THR 35 HA THR 35 89.586 12.646 1.767 276 HB THR 35 HB THR 35 87.315 11.818 -0.053 277 HG1 THR 35 HG1 THR 35 88.310 14.360 -0.281 278 HG21 THR 35 HG21 THR 35 86.165 13.679 0.945 279 HG22 THR 35 HG22 THR 35 87.639 14.237 1.738 280 HG23 THR 35 HG23 THR 35 86.867 12.740 2.263 281 H ARG 36 HN ARG 36 89.907 11.122 3.413 282 HA ARG 36 HA ARG 36 89.433 9.269 4.785 283 HE ARG 36 HE ARG 36 87.449 8.949 7.496 284 HB2 ARG 36 HB2 ARG 36 86.626 9.740 3.736 285 HB3 ARG 36 HB1 ARG 36 87.063 8.934 5.241 286 HG2 ARG 36 HG2 ARG 36 87.982 11.752 4.709 287 HG3 ARG 36 HG1 ARG 36 86.361 11.447 5.334 288 HD2 ARG 36 HD2 ARG 36 88.961 10.537 6.602 289 HD3 ARG 36 HD1 ARG 36 87.909 11.821 7.196 290 HH11 ARG 36 HH21 ARG 36 86.106 12.121 7.339 291 HH12 ARG 36 HH22 ARG 36 84.690 11.710 8.248 292 HH21 ARG 36 HH11 ARG 36 85.608 8.394 8.683 293 HH22 ARG 36 HH12 ARG 36 84.408 9.600 9.009 294 H GLN 37 HN GLN 37 90.062 8.794 1.891 295 HA GLN 37 HA GLN 37 88.439 6.641 0.906 296 HB2 GLN 37 HB2 GLN 37 90.482 6.146 -0.513 297 HB3 GLN 37 HB1 GLN 37 89.890 7.803 -0.626 298 HG2 GLN 37 HG2 GLN 37 91.608 8.619 0.818 299 HG3 GLN 37 HG1 GLN 37 92.065 6.987 1.310 300 HE21 GLN 37 HE21 GLN 37 94.046 6.482 0.369 301 HE22 GLN 37 HE22 GLN 37 94.488 6.847 -1.229 302 H1U RCY 38 H1U RCY 38 85.170 0.024 0.153 303 H1S RCY 38 H1S RCY 38 87.619 1.116 3.192 304 HB1 RCY 38 HB1 RCY 38 90.216 1.468 2.581 305 HB2 RCY 38 HB2 RCY 38 89.242 2.314 1.380 306 HA RCY 38 HA RCY 38 91.371 3.710 3.015 307 HN1 RCY 38 HN1 RCY 38 90.449 4.653 0.375 308 H LYS 39 HN LYS 39 92.162 1.194 2.432 309 HA LYS 39 HA LYS 39 94.413 1.580 0.706 310 HB2 LYS 39 HB2 LYS 39 93.152 -1.005 1.676 311 HB3 LYS 39 HB1 LYS 39 94.757 -0.860 0.959 312 HG2 LYS 39 HG2 LYS 39 95.116 0.948 2.841 313 HG3 LYS 39 HG1 LYS 39 93.784 0.104 3.632 314 HD2 LYS 39 HD2 LYS 39 96.358 -1.173 2.659 315 HD3 LYS 39 HD1 LYS 39 95.945 -0.840 4.341 316 HE2 LYS 39 HE2 LYS 39 93.912 -2.299 4.053 317 HE3 LYS 39 HE1 LYS 39 94.521 -2.740 2.458 318 HZ1 LYS 39 HZ1 LYS 39 95.617 -4.335 3.534 319 HZ2 LYS 39 HZ2 LYS 39 95.382 -3.615 5.055 320 HZ3 LYS 39 HZ3 LYS 39 96.667 -3.112 4.063 321 H SER 40 HN SER 40 93.742 -1.285 -0.460 322 HA SER 40 HA SER 40 91.741 -0.632 -2.497 323 HG SER 40 HG SER 40 93.458 1.071 -4.502 324 HB2 SER 40 HB2 SER 40 94.690 -0.755 -3.154 325 HB3 SER 40 HB1 SER 40 93.443 -1.029 -4.367 326 H LYS 41 HN LYS 41 94.307 -2.789 -1.360 327 HA LYS 41 HA LYS 41 94.021 -5.099 -2.782 328 HB2 LYS 41 HB2 LYS 41 93.947 -4.967 0.245 329 HB3 LYS 41 HB1 LYS 41 94.432 -6.363 -0.718 330 HG2 LYS 41 HG2 LYS 41 96.362 -5.238 -1.559 331 HG3 LYS 41 HG1 LYS 41 95.795 -3.675 -0.969 332 HD2 LYS 41 HD2 LYS 41 95.934 -4.606 1.374 333 HD3 LYS 41 HD1 LYS 41 96.721 -6.030 0.695 334 HE2 LYS 41 HE2 LYS 41 98.461 -4.526 1.428 335 HE3 LYS 41 HE1 LYS 41 98.434 -4.486 -0.335 336 HZ1 LYS 41 HZ1 LYS 41 98.171 -2.305 -0.172 337 HZ2 LYS 41 HZ2 LYS 41 97.961 -2.384 1.512 338 HZ3 LYS 41 HZ3 LYS 41 96.627 -2.577 0.477 339 HA PRO 42 HA PRO 42 89.537 -5.627 -2.148 340 HB2 PRO 42 HB2 PRO 42 88.945 -6.636 -4.578 341 HB3 PRO 42 HB1 PRO 42 89.273 -4.907 -4.342 342 HG2 PRO 42 HG2 PRO 42 91.022 -7.018 -5.477 343 HG3 PRO 42 HG1 PRO 42 90.874 -5.311 -5.921 344 HD2 PRO 42 HD2 PRO 42 92.883 -6.409 -4.285 345 HD3 PRO 42 HD1 PRO 42 92.492 -4.682 -4.431 346 HA PRO 43 HA PRO 43 89.674 -9.977 -1.139 347 HB2 PRO 43 HB2 PRO 43 87.033 -10.490 -0.789 348 HB3 PRO 43 HB1 PRO 43 87.952 -9.467 0.335 349 HG2 PRO 43 HG2 PRO 43 86.110 -8.660 -1.862 350 HG3 PRO 43 HG1 PRO 43 86.286 -7.987 -0.232 351 HD2 PRO 43 HD2 PRO 43 87.404 -6.841 -2.473 352 HD3 PRO 43 HD1 PRO 43 88.065 -6.644 -0.835 353 H LYS 44 HN LYS 44 88.876 -12.133 -1.928 354 HA LYS 44 HA LYS 44 88.737 -12.175 -4.839 355 HB2 LYS 44 HB2 LYS 44 88.257 -14.531 -3.007 356 HB3 LYS 44 HB1 LYS 44 88.907 -14.540 -4.647 357 HG2 LYS 44 HG2 LYS 44 90.847 -13.144 -3.729 358 HG3 LYS 44 HG1 LYS 44 90.251 -13.561 -2.122 359 HD2 LYS 44 HD2 LYS 44 90.317 -16.011 -2.943 360 HD3 LYS 44 HD1 LYS 44 91.324 -15.403 -4.257 361 HE2 LYS 44 HE2 LYS 44 92.930 -14.496 -2.651 362 HE3 LYS 44 HE1 LYS 44 91.904 -14.999 -1.308 363 HZ1 LYS 44 HZ1 LYS 44 92.538 -17.102 -3.178 364 HZ2 LYS 44 HZ2 LYS 44 92.577 -17.107 -1.480 365 HZ3 LYS 44 HZ3 LYS 44 93.887 -16.478 -2.360 366 H LYS 45 HN LYS 45 86.906 -14.601 -4.705 367 HA LYS 45 HA LYS 45 84.631 -15.036 -5.052 368 HB2 LYS 45 HB2 LYS 45 84.096 -12.711 -3.192 369 HB3 LYS 45 HB1 LYS 45 83.081 -14.122 -3.485 370 HG2 LYS 45 HG2 LYS 45 84.700 -15.583 -2.424 371 HG3 LYS 45 HG1 LYS 45 85.854 -14.258 -2.270 372 HD2 LYS 45 HD2 LYS 45 84.763 -14.554 -0.127 373 HD3 LYS 45 HD1 LYS 45 84.174 -13.051 -0.839 374 HE2 LYS 45 HE2 LYS 45 82.689 -15.606 -1.368 375 HE3 LYS 45 HE1 LYS 45 82.459 -14.776 0.171 376 HZ1 LYS 45 HZ1 LYS 45 82.359 -12.825 -1.781 377 HZ2 LYS 45 HZ2 LYS 45 81.061 -13.433 -0.869 378 HZ3 LYS 45 HZ3 LYS 45 81.431 -14.112 -2.382 379 H GLY 46 HN GLY 46 86.038 -12.047 -5.816 380 HA2 GLY 46 HA2 GLY 46 83.707 -10.762 -6.967 381 HA3 GLY 46 HA1 GLY 46 85.386 -10.306 -7.263 382 H VAL 47 HN VAL 47 84.261 -10.106 -9.516 383 HA VAL 47 HA VAL 47 84.134 -10.902 -11.716 384 HB VAL 47 HB VAL 47 85.760 -13.274 -10.786 385 HG11 VAL 47 HG11 VAL 47 86.755 -12.957 -13.073 386 HG12 VAL 47 HG12 VAL 47 85.567 -11.686 -13.362 387 HG13 VAL 47 HG13 VAL 47 85.036 -13.348 -13.101 388 HG21 VAL 47 HG21 VAL 47 86.883 -11.376 -9.823 389 HG22 VAL 47 HG22 VAL 47 86.638 -10.416 -11.283 390 HG23 VAL 47 HG23 VAL 47 87.755 -11.781 -11.302 391 H GLN 48 HN GLN 48 82.858 -12.555 -9.096 392 HA GLN 48 HA GLN 48 80.784 -13.771 -10.675 393 HB2 GLN 48 HB2 GLN 48 82.832 -15.330 -11.001 394 HB3 GLN 48 HB1 GLN 48 82.567 -15.799 -9.323 395 HG2 GLN 48 HG2 GLN 48 80.281 -16.489 -9.836 396 HG3 GLN 48 HG1 GLN 48 80.459 -15.931 -11.499 397 HE21 GLN 48 HE21 GLN 48 80.185 -18.081 -12.413 398 HE22 GLN 48 HE22 GLN 48 81.369 -19.284 -12.233 399 H GLY 49 HN GLY 49 80.801 -12.050 -8.460 400 HA2 GLY 49 HA2 GLY 49 79.316 -13.717 -6.513 401 HA3 GLY 49 HA1 GLY 49 80.669 -12.772 -5.887 402 H1U RCY 50 H1U RCY 50 77.585 -2.558 -2.041 403 H1S RCY 50 H1S RCY 50 78.949 -6.620 -4.350 404 HB1 RCY 50 HB1 RCY 50 79.507 -8.276 -5.401 405 HB2 RCY 50 HB2 RCY 50 78.374 -9.564 -4.988 406 HA RCY 50 HA RCY 50 77.633 -9.478 -7.446 407 HN1 RCY 50 HN1 RCY 50 80.328 -10.490 -7.589 408 H GLY 51 HN GLY 51 81.080 -8.953 -7.751 409 HA2 GLY 51 HA2 GLY 51 80.641 -6.331 -9.069 410 HA3 GLY 51 HA1 GLY 51 82.210 -7.018 -8.647 411 H ASP 52 HN ASP 52 80.382 -9.445 -10.008 412 HA ASP 52 HA ASP 52 82.004 -9.656 -12.340 413 HB2 ASP 52 HB2 ASP 52 80.123 -11.220 -13.129 414 HB3 ASP 52 HB1 ASP 52 80.907 -11.636 -11.604 415 H ASP 53 HN ASP 53 79.035 -7.909 -11.720 416 HA ASP 53 HA ASP 53 78.545 -7.399 -14.575 417 HB2 ASP 53 HB2 ASP 53 76.747 -7.592 -12.735 418 HB3 ASP 53 HB1 ASP 53 77.239 -5.966 -12.257 419 H ILE 54 HN ILE 54 77.844 -4.706 -14.551 420 HA ILE 54 HA ILE 54 80.490 -3.384 -14.075 421 HB ILE 54 HB ILE 54 78.351 -2.577 -16.062 422 HG12 ILE 54 HG12 ILE 54 79.186 -4.774 -16.691 423 HG13 ILE 54 HG11 ILE 54 79.919 -3.573 -17.755 424 HG21 ILE 54 HG21 ILE 54 81.265 -1.809 -15.708 425 HG22 ILE 54 HG22 ILE 54 79.870 -0.775 -15.399 426 HG23 ILE 54 HG23 ILE 54 80.241 -1.287 -17.046 427 HD11 ILE 54 HD11 ILE 54 81.169 -5.095 -15.482 428 HD12 ILE 54 HD12 ILE 54 81.829 -3.532 -15.964 429 HD13 ILE 54 HD13 ILE 54 81.770 -4.860 -17.124 430 HA PRO 55 HA PRO 55 77.516 -1.183 -11.345 431 HB2 PRO 55 HB2 PRO 55 79.176 -0.855 -9.226 432 HB3 PRO 55 HB1 PRO 55 78.324 -2.380 -9.533 433 HG2 PRO 55 HG2 PRO 55 81.160 -1.668 -10.046 434 HG3 PRO 55 HG1 PRO 55 80.458 -3.203 -9.512 435 HD2 PRO 55 HD2 PRO 55 81.239 -2.634 -12.130 436 HD3 PRO 55 HD1 PRO 55 80.108 -3.922 -11.662 437 H GLY 56 HN GLY 56 77.279 1.039 -11.248 438 HA2 GLY 56 HA2 GLY 56 78.109 3.301 -10.957 439 HA3 GLY 56 HA1 GLY 56 79.702 2.750 -11.479 440 H MET 57 HN MET 57 76.811 1.802 -13.211 441 HA MET 57 HA MET 57 77.796 3.349 -15.559 442 HB2 MET 57 HB2 MET 57 75.939 1.864 -16.694 443 HB3 MET 57 HB1 MET 57 77.488 1.144 -16.259 444 HG2 MET 57 HG2 MET 57 75.619 -0.282 -15.508 445 HG3 MET 57 HG1 MET 57 76.523 0.347 -14.130 446 HE1 MET 57 HE1 MET 57 73.018 0.201 -12.702 447 HE2 MET 57 HE2 MET 57 74.514 -0.665 -13.045 448 HE3 MET 57 HE3 MET 57 73.187 -0.718 -14.203 449 H GLU 58 HN GLU 58 75.425 3.466 -13.136 450 HA GLU 58 HA GLU 58 74.278 5.892 -14.044 451 HB2 GLU 58 HB2 GLU 58 73.216 3.565 -15.365 452 HB3 GLU 58 HB1 GLU 58 71.960 4.238 -14.329 453 HG2 GLU 58 HG2 GLU 58 73.598 5.879 -16.282 454 HG3 GLU 58 HG1 GLU 58 71.997 5.231 -16.639 455 H GLY 59 HN GLY 59 74.557 3.287 -11.937 456 HA2 GLY 59 HA2 GLY 59 73.523 4.709 -9.695 457 HA3 GLY 59 HA1 GLY 59 72.299 3.559 -10.237 458 H1U RCY 60 H1U RCY 60 70.925 0.899 -5.402 459 H1S RCY 60 H1S RCY 60 72.930 3.654 -6.213 460 HB1 RCY 60 HB1 RCY 60 74.571 -0.222 -6.652 461 HB2 RCY 60 HB2 RCY 60 72.912 0.320 -6.901 462 HA RCY 60 HA RCY 60 75.184 0.381 -8.904 463 HN1 RCY 60 HN1 RCY 60 72.544 1.422 -9.680 464 H GLY 61 HN GLY 61 72.190 0.020 -10.281 465 HA2 GLY 61 HA2 GLY 61 70.919 -1.843 -10.964 466 HA3 GLY 61 HA1 GLY 61 72.506 -2.565 -11.232 467 H THR 62 HN THR 62 71.256 -1.596 -8.072 468 HA THR 62 HA THR 62 70.339 -4.215 -7.297 469 HB THR 62 HB THR 62 72.781 -4.687 -7.478 470 HG1 THR 62 HG1 THR 62 72.964 -5.279 -5.148 471 HG21 THR 62 HG21 THR 62 73.421 -3.094 -5.080 472 HG22 THR 62 HG22 THR 62 73.096 -2.138 -6.526 473 HG23 THR 62 HG23 THR 62 74.369 -3.358 -6.544 474 H ASP 63 HN ASP 63 68.873 -2.190 -6.811 475 HA ASP 63 HA ASP 63 69.548 -0.555 -4.529 476 HB2 ASP 63 HB2 ASP 63 66.754 -1.209 -5.487 477 HB3 ASP 63 HB1 ASP 63 67.300 0.246 -4.652 478 H ILE 64 HN ILE 64 69.444 -3.710 -4.433 479 HA ILE 64 HA ILE 64 68.615 -3.811 -1.652 480 HB ILE 64 HB ILE 64 66.395 -4.061 -2.325 481 HG12 ILE 64 HG12 ILE 64 67.347 -6.919 -2.621 482 HG13 ILE 64 HG11 ILE 64 67.325 -6.091 -1.063 483 HG21 ILE 64 HG21 ILE 64 65.799 -5.471 -4.355 484 HG22 ILE 64 HG22 ILE 64 67.524 -5.538 -4.715 485 HG23 ILE 64 HG23 ILE 64 66.684 -3.987 -4.708 486 HD11 ILE 64 HD11 ILE 64 65.250 -7.354 -1.346 487 HD12 ILE 64 HD12 ILE 64 64.941 -6.545 -2.882 488 HD13 ILE 64 HD13 ILE 64 64.899 -5.626 -1.378 489 H THR 65 HN THR 65 70.143 -5.068 -4.404 490 HA THR 65 HA THR 65 71.302 -7.118 -4.783 491 HB THR 65 HB THR 65 72.252 -6.630 -1.954 492 HG1 THR 65 HG1 THR 65 73.101 -4.823 -2.572 493 HG21 THR 65 HG21 THR 65 73.583 -7.627 -4.488 494 HG22 THR 65 HG22 THR 65 73.150 -8.601 -3.083 495 HG23 THR 65 HG23 THR 65 74.409 -7.373 -2.950 496 H VAL 66 HN VAL 66 68.712 -7.609 -3.985 497 HA VAL 66 HA VAL 66 67.380 -9.377 -3.212 498 HB VAL 66 HB VAL 66 69.886 -10.727 -2.190 499 HG11 VAL 66 HG11 VAL 66 67.596 -11.659 -1.704 500 HG12 VAL 66 HG12 VAL 66 68.629 -12.750 -2.628 501 HG13 VAL 66 HG13 VAL 66 67.358 -11.836 -3.442 502 HG21 VAL 66 HG21 VAL 66 69.785 -11.820 -4.569 503 HG22 VAL 66 HG22 VAL 66 70.574 -10.254 -4.383 504 HG23 VAL 66 HG23 VAL 66 68.932 -10.343 -5.019 505 H ILE 67 HN ILE 67 70.107 -8.592 -1.083 506 HA ILE 67 HA ILE 67 68.182 -8.046 1.114 507 HB ILE 67 HB ILE 67 70.662 -9.784 1.307 508 HG12 ILE 67 HG12 ILE 67 67.797 -10.333 2.132 509 HG13 ILE 67 HG11 ILE 67 68.466 -10.812 0.572 510 HG21 ILE 67 HG21 ILE 67 69.940 -9.876 3.775 511 HG22 ILE 67 HG22 ILE 67 68.988 -8.432 3.429 512 HG23 ILE 67 HG23 ILE 67 70.741 -8.399 3.238 513 HD11 ILE 67 HD11 ILE 67 69.465 -11.680 3.300 514 HD12 ILE 67 HD12 ILE 67 70.249 -12.083 1.773 515 HD13 ILE 67 HD13 ILE 67 68.630 -12.690 2.120 516 H1U RCY 68 H1U RCY 68 70.919 3.509 0.084 517 H1S RCY 68 H1S RCY 68 69.438 -0.489 -0.049 518 HB1 RCY 68 HB1 RCY 68 69.487 -2.800 1.745 519 HB2 RCY 68 HB2 RCY 68 68.617 -3.702 0.509 520 HA RCY 68 HA RCY 68 71.266 -4.730 0.563 521 HN1 RCY 68 HN1 RCY 68 68.600 -5.779 0.780 522 HA PRO 69 HA PRO 69 72.466 -5.411 4.821 523 HB2 PRO 69 HB2 PRO 69 74.520 -3.493 4.828 524 HB3 PRO 69 HB1 PRO 69 74.692 -5.199 4.379 525 HG2 PRO 69 HG2 PRO 69 74.424 -2.811 2.652 526 HG3 PRO 69 HG1 PRO 69 75.312 -4.317 2.375 527 HD2 PRO 69 HD2 PRO 69 72.949 -3.772 1.133 528 HD3 PRO 69 HD1 PRO 69 73.442 -5.428 1.554 529 H TRP 70 HN TRP 70 70.968 -2.704 3.571 530 HA TRP 70 HA TRP 70 71.303 -0.745 5.614 531 HD1 TRP 70 HD1 TRP 70 69.818 0.922 6.671 532 HE1 TRP 70 HE1 TRP 70 67.583 1.911 7.489 533 HE3 TRP 70 HE3 TRP 70 66.672 -0.941 3.106 534 HZ2 TRP 70 HZ2 TRP 70 64.821 1.912 6.730 535 HZ3 TRP 70 HZ3 TRP 70 64.251 -0.433 3.177 536 HH2 TRP 70 HH2 TRP 70 63.320 0.989 4.980 537 HB2 TRP 70 HB2 TRP 70 70.162 0.025 3.704 538 HB3 TRP 70 HB1 TRP 70 69.096 -1.377 3.659 539 H GLU 71 HN GLU 71 69.514 -3.729 5.492 540 HA GLU 71 HA GLU 71 67.825 -3.160 7.790 541 HB2 GLU 71 HB2 GLU 71 68.524 -5.632 6.210 542 HB3 GLU 71 HB1 GLU 71 67.599 -5.756 7.709 543 HG2 GLU 71 HG2 GLU 71 66.794 -3.839 5.521 544 HG3 GLU 71 HG1 GLU 71 66.261 -5.521 5.511 545 H ALA 72 HN ALA 72 70.494 -5.530 7.390 546 HA ALA 72 HA ALA 72 70.883 -5.666 10.278 547 HB1 ALA 72 HB1 ALA 72 72.867 -7.085 9.639 548 HB2 ALA 72 HB2 ALA 72 72.476 -6.774 7.948 549 HB3 ALA 72 HB3 ALA 72 71.337 -7.652 8.969 550 H1U RCY 73 H1U RCY 73 71.563 0.744 3.432 551 H1S RCY 73 H1S RCY 73 72.368 1.951 7.277 552 HB1 RCY 73 HB1 RCY 73 71.845 -1.113 7.853 553 HB2 RCY 73 HB2 RCY 73 73.451 -1.300 7.156 554 HA RCY 73 HA RCY 73 74.216 -2.576 8.916 555 HN1 RCY 73 HN1 RCY 73 71.381 -3.127 8.517 556 H ASN 74 HN ASN 74 71.515 -2.602 10.946 557 HA ASN 74 HA ASN 74 71.057 -1.595 13.030 558 HB2 ASN 74 HB2 ASN 74 72.841 -1.909 14.618 559 HB3 ASN 74 HB1 ASN 74 72.941 -3.232 13.455 560 HD21 ASN 74 HD21 ASN 74 74.709 -3.180 11.876 561 HD22 ASN 74 HD22 ASN 74 76.051 -2.163 12.095 562 H HIS 75 HN HIS 75 71.193 0.389 11.111 563 HA HIS 75 HA HIS 75 71.469 2.711 10.925 564 HD1 HIS 75 HD1 HIS 75 68.903 3.264 12.570 565 HD2 HIS 75 HD2 HIS 75 71.083 0.652 14.984 566 HE1 HIS 75 HE1 HIS 75 67.209 1.794 13.747 567 HE2 HIS 75 HE2 HIS 75 68.523 0.200 15.220 568 HB2 HIS 75 HB2 HIS 75 72.455 2.799 13.766 569 HB3 HIS 75 HB1 HIS 75 71.423 3.946 12.910 570 H1U RCY 76 H1U RCY 76 70.813 4.513 5.843 571 H1S RCY 76 H1S RCY 76 73.006 6.376 8.655 572 HB1 RCY 76 HB1 RCY 76 74.635 3.977 8.131 573 HB2 RCY 76 HB2 RCY 76 76.373 4.142 8.376 574 HA RCY 76 HA RCY 76 75.820 2.562 10.005 575 HN1 RCY 76 HN1 RCY 76 73.161 3.582 9.832 576 H GLU 77 HN GLU 77 74.139 4.891 11.921 577 HA GLU 77 HA GLU 77 76.380 6.432 12.838 578 HB2 GLU 77 HB2 GLU 77 73.735 5.776 14.168 579 HB3 GLU 77 HB1 GLU 77 74.890 6.952 14.794 580 HG2 GLU 77 HG2 GLU 77 73.809 7.105 11.976 581 HG3 GLU 77 HG1 GLU 77 73.004 7.890 13.335 582 H LEU 78 HN LEU 78 74.821 3.489 14.118 583 HA LEU 78 HA LEU 78 76.909 3.261 16.199 584 HG LEU 78 HG LEU 78 73.554 3.358 15.862 585 HB2 LEU 78 HB2 LEU 78 74.709 1.280 15.600 586 HB3 LEU 78 HB1 LEU 78 75.589 1.503 17.113 587 HD11 LEU 78 HD11 LEU 78 73.778 2.003 18.567 588 HD12 LEU 78 HD12 LEU 78 72.669 1.555 17.272 589 HD13 LEU 78 HD13 LEU 78 72.487 3.106 18.091 590 HD21 LEU 78 HD21 LEU 78 75.269 4.840 16.584 591 HD22 LEU 78 HD22 LEU 78 75.615 3.868 18.014 592 HD23 LEU 78 HD23 LEU 78 74.120 4.799 17.921 593 H HIS 79 HN HIS 79 78.017 1.092 16.426 594 HA HIS 79 HA HIS 79 78.311 -0.447 13.924 595 HD1 HIS 79 HD1 HIS 79 80.409 3.187 15.398 596 HD2 HIS 79 HD2 HIS 79 79.126 1.670 11.730 597 HE1 HIS 79 HE1 HIS 79 79.794 5.188 13.972 598 HE2 HIS 79 HE2 HIS 79 79.011 4.278 11.736 599 HB2 HIS 79 HB2 HIS 79 80.792 0.697 15.210 600 HB3 HIS 79 HB1 HIS 79 80.619 -0.029 13.612 601 H GLU 80 HN GLU 80 77.501 -2.199 15.191 602 HA GLU 80 HA GLU 80 79.546 -3.411 16.969 603 HB2 GLU 80 HB2 GLU 80 76.690 -2.793 17.751 604 HB3 GLU 80 HB1 GLU 80 77.643 -4.030 18.571 605 HG2 GLU 80 HG2 GLU 80 79.362 -2.357 19.122 606 HG3 GLU 80 HG1 GLU 80 78.431 -1.114 18.285 607 H LEU 81 HN LEU 81 76.271 -3.854 15.590 608 HA LEU 81 HA LEU 81 76.603 -6.750 15.464 609 HG LEU 81 HG LEU 81 74.521 -4.267 16.215 610 HB2 LEU 81 HB2 LEU 81 74.544 -5.144 13.946 611 HB3 LEU 81 HB1 LEU 81 74.415 -6.797 14.549 612 HD11 LEU 81 HD11 LEU 81 72.376 -6.386 15.875 613 HD12 LEU 81 HD12 LEU 81 72.338 -4.777 15.153 614 HD13 LEU 81 HD13 LEU 81 72.267 -4.959 16.906 615 HD21 LEU 81 HD21 LEU 81 74.111 -5.954 18.102 616 HD22 LEU 81 HD22 LEU 81 75.742 -5.919 17.433 617 HD23 LEU 81 HD23 LEU 81 74.623 -7.197 16.960 618 H ALA 82 HN ALA 82 78.206 -4.506 13.828 619 HA ALA 82 HA ALA 82 77.864 -4.881 11.083 620 HB1 ALA 82 HB1 ALA 82 80.480 -4.701 12.611 621 HB2 ALA 82 HB2 ALA 82 79.539 -3.341 11.999 622 HB3 ALA 82 HB3 ALA 82 80.308 -4.460 10.872 623 H GLN 83 HN GLN 83 79.013 -7.159 13.452 624 HA GLN 83 HA GLN 83 80.127 -8.983 11.429 625 HB2 GLN 83 HB2 GLN 83 80.901 -8.676 13.908 626 HB3 GLN 83 HB1 GLN 83 79.543 -9.734 14.290 627 HG2 GLN 83 HG2 GLN 83 80.424 -11.457 12.788 628 HG3 GLN 83 HG1 GLN 83 81.754 -10.396 12.321 629 HE21 GLN 83 HE21 GLN 83 81.337 -13.047 14.116 630 HE22 GLN 83 HE22 GLN 83 82.388 -12.737 15.413 631 H TYR 84 HN TYR 84 77.387 -8.320 10.981 632 HA TYR 84 HA TYR 84 75.688 -10.436 12.029 633 HD1 TYR 84 HD1 TYR 84 76.732 -7.134 9.826 634 HD2 TYR 84 HD2 TYR 84 73.871 -9.932 8.265 635 HE1 TYR 84 HE1 TYR 84 77.280 -6.408 7.519 636 HE2 TYR 84 HE2 TYR 84 74.419 -9.206 5.958 637 HH TYR 84 HH TYR 84 75.374 -7.328 4.802 638 HB2 TYR 84 HB2 TYR 84 73.977 -9.528 10.602 639 HB3 TYR 84 HB1 TYR 84 74.882 -8.159 11.246 640 H GLY 85 HN GLY 85 76.972 -9.756 8.745 641 HA2 GLY 85 HA2 GLY 85 77.478 -12.600 8.314 642 HA3 GLY 85 HA1 GLY 85 76.121 -11.985 7.371 643 H ILE 86 HN ILE 86 78.653 -9.761 8.095 644 HA ILE 86 HA ILE 86 79.868 -8.466 6.534 645 HB ILE 86 HB ILE 86 81.186 -10.653 7.345 646 HG12 ILE 86 HG12 ILE 86 82.083 -8.792 5.121 647 HG13 ILE 86 HG11 ILE 86 82.219 -8.484 6.852 648 HG21 ILE 86 HG21 ILE 86 81.523 -10.977 4.388 649 HG22 ILE 86 HG22 ILE 86 80.141 -11.753 5.161 650 HG23 ILE 86 HG23 ILE 86 81.780 -12.151 5.679 651 HD11 ILE 86 HD11 ILE 86 83.602 -10.618 6.998 652 HD12 ILE 86 HD12 ILE 86 84.367 -9.276 6.147 653 HD13 ILE 86 HD13 ILE 86 83.649 -10.604 5.235 654 H1U RCY 87 H1U RCY 87 77.041 -5.095 3.700 655 H1S RCY 87 H1S RCY 87 80.010 -7.883 3.617 656 HB1 RCY 87 HB1 RCY 87 80.313 -8.511 0.646 657 HB2 RCY 87 HB2 RCY 87 81.191 -9.964 1.123 658 HA RCY 87 HA RCY 87 78.746 -8.745 2.310 659 HN1 RCY 87 HN1 RCY 87 80.992 -9.352 4.019 Start of MODEL 15 1 HA MET 1 HA MET 1 66.548 -12.787 22.900 2 HB2 MET 1 HB2 MET 1 67.947 -10.767 22.832 3 HB3 MET 1 HB1 MET 1 68.948 -12.207 22.638 4 HG2 MET 1 HG2 MET 1 68.691 -11.862 20.112 5 HG3 MET 1 HG1 MET 1 68.052 -10.266 20.502 6 HE1 MET 1 HE1 MET 1 71.340 -8.854 19.523 7 HE2 MET 1 HE2 MET 1 69.580 -8.793 19.494 8 HE3 MET 1 HE3 MET 1 70.424 -10.103 18.670 9 H ASN 2 HN ASN 2 66.524 -9.923 22.112 10 HA ASN 2 HA ASN 2 63.865 -9.861 20.970 11 HB2 ASN 2 HB2 ASN 2 65.855 -7.610 21.401 12 HB3 ASN 2 HB1 ASN 2 64.137 -7.409 21.053 13 HD21 ASN 2 HD21 ASN 2 65.609 -6.592 23.533 14 HD22 ASN 2 HD22 ASN 2 64.842 -7.407 24.809 15 H LEU 3 HN LEU 3 65.664 -11.200 19.214 16 HA LEU 3 HA LEU 3 66.512 -9.398 17.102 17 HG LEU 3 HG LEU 3 68.429 -10.396 16.350 18 HB2 LEU 3 HB2 LEU 3 67.115 -11.991 17.757 19 HB3 LEU 3 HB1 LEU 3 66.019 -12.237 16.400 20 HD11 LEU 3 HD11 LEU 3 69.140 -12.731 16.488 21 HD12 LEU 3 HD12 LEU 3 69.395 -12.137 14.847 22 HD13 LEU 3 HD13 LEU 3 68.014 -13.174 15.204 23 HD21 LEU 3 HD21 LEU 3 67.967 -10.477 13.871 24 HD22 LEU 3 HD22 LEU 3 66.708 -9.670 14.806 25 HD23 LEU 3 HD23 LEU 3 66.461 -11.320 14.236 26 H GLU 4 HN GLU 4 63.588 -9.535 18.049 27 HA GLU 4 HA GLU 4 62.000 -10.609 15.936 28 HB2 GLU 4 HB2 GLU 4 61.170 -9.877 18.207 29 HB3 GLU 4 HB1 GLU 4 61.322 -8.209 17.655 30 HG2 GLU 4 HG2 GLU 4 59.042 -8.834 17.263 31 HG3 GLU 4 HG1 GLU 4 59.836 -8.853 15.688 32 HA PRO 5 HA PRO 5 63.080 -7.503 12.877 33 HB2 PRO 5 HB2 PRO 5 61.394 -8.308 10.891 34 HB3 PRO 5 HB1 PRO 5 62.875 -9.192 11.308 35 HG2 PRO 5 HG2 PRO 5 60.056 -9.788 12.044 36 HG3 PRO 5 HG1 PRO 5 61.362 -10.893 11.584 37 HD2 PRO 5 HD2 PRO 5 60.579 -10.461 14.193 38 HD3 PRO 5 HD1 PRO 5 62.212 -10.988 13.728 39 HA PRO 6 HA PRO 6 59.996 -4.347 13.249 40 HB2 PRO 6 HB2 PRO 6 60.275 -3.000 10.869 41 HB3 PRO 6 HB1 PRO 6 61.438 -2.883 12.204 42 HG2 PRO 6 HG2 PRO 6 61.586 -4.496 9.709 43 HG3 PRO 6 HG1 PRO 6 62.861 -3.607 10.558 44 HD2 PRO 6 HD2 PRO 6 62.572 -6.320 10.751 45 HD3 PRO 6 HD1 PRO 6 63.249 -5.327 12.061 46 H LYS 7 HN LYS 7 57.953 -3.494 12.256 47 HA LYS 7 HA LYS 7 56.822 -5.028 10.017 48 HB2 LYS 7 HB2 LYS 7 54.756 -5.467 11.672 49 HB3 LYS 7 HB1 LYS 7 56.078 -6.620 11.516 50 HG2 LYS 7 HG2 LYS 7 55.611 -6.169 13.890 51 HG3 LYS 7 HG1 LYS 7 57.213 -5.573 13.454 52 HD2 LYS 7 HD2 LYS 7 56.404 -3.307 13.286 53 HD3 LYS 7 HD1 LYS 7 54.731 -3.836 13.462 54 HE2 LYS 7 HE2 LYS 7 56.905 -4.070 15.564 55 HE3 LYS 7 HE1 LYS 7 55.547 -2.945 15.594 56 HZ1 LYS 7 HZ1 LYS 7 55.563 -5.852 15.995 57 HZ2 LYS 7 HZ2 LYS 7 54.176 -5.125 15.336 58 HZ3 LYS 7 HZ3 LYS 7 54.743 -4.648 16.865 59 H ALA 8 HN ALA 8 57.253 -2.446 9.783 60 HA ALA 8 HA ALA 8 54.606 -1.288 9.581 61 HB1 ALA 8 HB1 ALA 8 54.977 -0.891 11.979 62 HB2 ALA 8 HB2 ALA 8 55.008 0.635 11.096 63 HB3 ALA 8 HB3 ALA 8 56.517 -0.109 11.623 64 H GLU 9 HN GLU 9 55.025 1.266 9.079 65 HA GLU 9 HA GLU 9 55.926 2.741 7.493 66 HB2 GLU 9 HB2 GLU 9 57.879 2.382 9.181 67 HB3 GLU 9 HB1 GLU 9 58.584 1.378 7.915 68 HG2 GLU 9 HG2 GLU 9 58.512 3.239 6.339 69 HG3 GLU 9 HG1 GLU 9 57.688 4.249 7.527 70 H1U RCY 10 H1U RCY 10 63.212 -1.183 7.849 71 H1S RCY 10 H1S RCY 10 59.546 -3.827 6.347 72 HB1 RCY 10 HB1 RCY 10 58.155 -0.656 4.680 73 HB2 RCY 10 HB2 RCY 10 57.432 -2.032 3.848 74 HA RCY 10 HA RCY 10 55.850 -0.118 4.061 75 HN1 RCY 10 HN1 RCY 10 55.440 -0.377 6.921 76 H ARG 11 HN ARG 11 53.743 -0.804 3.742 77 HA ARG 11 HA ARG 11 52.765 -3.231 5.108 78 HE ARG 11 HE ARG 11 51.102 1.408 6.632 79 HB2 ARG 11 HB2 ARG 11 51.526 -1.196 3.254 80 HB3 ARG 11 HB1 ARG 11 50.698 -2.707 3.630 81 HG2 ARG 11 HG2 ARG 11 49.996 -0.910 5.171 82 HG3 ARG 11 HG1 ARG 11 50.841 -2.193 6.039 83 HD2 ARG 11 HD2 ARG 11 52.816 -0.908 6.250 84 HD3 ARG 11 HD1 ARG 11 52.316 0.223 4.993 85 HH11 ARG 11 HH21 ARG 11 51.871 -1.796 7.648 86 HH12 ARG 11 HH22 ARG 11 51.278 -1.570 9.260 87 HH21 ARG 11 HH11 ARG 11 50.323 1.721 8.730 88 HH22 ARG 11 HH12 ARG 11 50.401 0.422 9.872 89 H SER 12 HN SER 12 54.842 -4.094 3.694 90 HA SER 12 HA SER 12 55.507 -5.563 1.989 91 HG SER 12 HG SER 12 53.657 -8.263 1.441 92 HB2 SER 12 HB2 SER 12 53.436 -6.736 2.948 93 HB3 SER 12 HB1 SER 12 52.554 -6.071 1.576 94 H ALA 13 HN ALA 13 54.009 -2.740 1.420 95 HA ALA 13 HA ALA 13 53.534 -1.474 -0.508 96 HB1 ALA 13 HB1 ALA 13 55.962 -1.716 -0.744 97 HB2 ALA 13 HB2 ALA 13 55.196 -1.792 -2.330 98 HB3 ALA 13 HB3 ALA 13 55.747 -3.273 -1.546 99 H THR 14 HN THR 14 53.612 -2.180 -3.232 100 HA THR 14 HA THR 14 52.118 -4.653 -3.647 101 HB THR 14 HB THR 14 50.665 -2.035 -4.113 102 HG1 THR 14 HG1 THR 14 50.084 -2.159 -2.119 103 HG21 THR 14 HG21 THR 14 49.936 -3.791 -5.601 104 HG22 THR 14 HG22 THR 14 48.717 -3.618 -4.338 105 HG23 THR 14 HG23 THR 14 49.869 -4.952 -4.275 106 H ARG 15 HN ARG 15 53.848 -1.924 -4.727 107 HA ARG 15 HA ARG 15 54.284 -3.129 -7.333 108 HE ARG 15 HE ARG 15 53.521 1.126 -8.746 109 HB2 ARG 15 HB2 ARG 15 52.038 -1.969 -7.585 110 HB3 ARG 15 HB1 ARG 15 52.883 -0.444 -7.314 111 HG2 ARG 15 HG2 ARG 15 54.448 -1.143 -9.217 112 HG3 ARG 15 HG1 ARG 15 53.269 -2.404 -9.583 113 HD2 ARG 15 HD2 ARG 15 52.850 -0.388 -10.943 114 HD3 ARG 15 HD1 ARG 15 51.511 -0.691 -9.836 115 HH11 ARG 15 HH21 ARG 15 50.695 0.733 -10.681 116 HH12 ARG 15 HH22 ARG 15 50.149 2.361 -10.452 117 HH21 ARG 15 HH11 ARG 15 52.825 3.254 -8.435 118 HH22 ARG 15 HH12 ARG 15 51.355 3.788 -9.180 119 H VAL 16 HN VAL 16 56.378 -2.660 -7.777 120 HA VAL 16 HA VAL 16 57.420 0.053 -7.295 121 HB VAL 16 HB VAL 16 57.954 -0.803 -5.152 122 HG11 VAL 16 HG11 VAL 16 58.518 -3.364 -6.646 123 HG12 VAL 16 HG12 VAL 16 57.391 -3.095 -5.317 124 HG13 VAL 16 HG13 VAL 16 59.128 -3.106 -5.011 125 HG21 VAL 16 HG21 VAL 16 60.296 -0.731 -5.137 126 HG22 VAL 16 HG22 VAL 16 59.919 0.032 -6.682 127 HG23 VAL 16 HG23 VAL 16 60.431 -1.655 -6.633 128 H MET 17 HN MET 17 57.772 0.164 -9.539 129 HA MET 17 HA MET 17 60.241 -0.978 -10.500 130 HB2 MET 17 HB2 MET 17 58.828 -2.993 -10.703 131 HB3 MET 17 HB1 MET 17 57.669 -2.085 -11.673 132 HG2 MET 17 HG2 MET 17 59.196 -1.835 -13.469 133 HG3 MET 17 HG1 MET 17 60.575 -2.285 -12.466 134 HE1 MET 17 HE1 MET 17 56.943 -3.962 -12.871 135 HE2 MET 17 HE2 MET 17 57.335 -4.956 -14.271 136 HE3 MET 17 HE3 MET 17 57.511 -3.206 -14.364 137 H GLY 18 HN GLY 18 60.864 0.949 -11.400 138 HA2 GLY 18 HA2 GLY 18 58.955 2.663 -12.804 139 HA3 GLY 18 HA1 GLY 18 60.682 2.970 -12.621 140 H GLY 19 HN GLY 19 60.374 3.577 -14.990 141 HA2 GLY 19 HA2 GLY 19 59.752 1.704 -17.014 142 HA3 GLY 19 HA1 GLY 19 60.841 3.075 -17.235 143 HA PRO 20 HA PRO 20 63.247 -0.870 -18.005 144 HB2 PRO 20 HB2 PRO 20 64.829 1.266 -19.389 145 HB3 PRO 20 HB1 PRO 20 64.441 -0.379 -19.931 146 HG2 PRO 20 HG2 PRO 20 63.165 1.742 -20.909 147 HG3 PRO 20 HG1 PRO 20 62.327 0.207 -20.624 148 HD2 PRO 20 HD2 PRO 20 62.155 2.756 -19.086 149 HD3 PRO 20 HD1 PRO 20 60.934 1.483 -19.303 150 H1U RCY 21 H1U RCY 21 66.142 -5.228 -9.497 151 H1S RCY 21 H1S RCY 21 66.413 -2.844 -13.212 152 HB1 RCY 21 HB1 RCY 21 67.798 -2.041 -15.874 153 HB2 RCY 21 HB2 RCY 21 66.147 -1.957 -15.260 154 HA RCY 21 HA RCY 21 66.605 0.665 -15.411 155 HN1 RCY 21 HN1 RCY 21 65.846 -0.958 -17.812 156 H THR 22 HN THR 22 67.881 2.194 -16.466 157 HA THR 22 HA THR 22 70.389 1.150 -17.680 158 HB THR 22 HB THR 22 69.274 1.592 -19.682 159 HG1 THR 22 HG1 THR 22 70.065 4.233 -19.187 160 HG21 THR 22 HG21 THR 22 67.186 2.399 -18.827 161 HG22 THR 22 HG22 THR 22 67.789 3.640 -19.925 162 HG23 THR 22 HG23 THR 22 67.941 3.856 -18.182 163 HA PRO 23 HA PRO 23 71.372 4.309 -14.478 164 HB2 PRO 23 HB2 PRO 23 74.093 3.264 -15.122 165 HB3 PRO 23 HB1 PRO 23 73.321 3.504 -13.543 166 HG2 PRO 23 HG2 PRO 23 73.626 1.075 -14.598 167 HG3 PRO 23 HG1 PRO 23 72.196 1.503 -13.642 168 HD2 PRO 23 HD2 PRO 23 72.450 1.167 -16.606 169 HD3 PRO 23 HD1 PRO 23 71.065 0.823 -15.545 170 H ARG 24 HN ARG 24 74.178 5.257 -14.957 171 HA ARG 24 HA ARG 24 74.266 6.406 -17.620 172 HE ARG 24 HE ARG 24 70.491 9.291 -14.481 173 HB2 ARG 24 HB2 ARG 24 74.060 8.803 -16.730 174 HB3 ARG 24 HB1 ARG 24 72.557 7.890 -16.870 175 HG2 ARG 24 HG2 ARG 24 72.565 7.383 -14.507 176 HG3 ARG 24 HG1 ARG 24 74.177 8.073 -14.316 177 HD2 ARG 24 HD2 ARG 24 72.649 9.750 -13.555 178 HD3 ARG 24 HD1 ARG 24 73.194 10.274 -15.148 179 HH11 ARG 24 HH21 ARG 24 72.865 10.181 -16.818 180 HH12 ARG 24 HH22 ARG 24 71.713 10.437 -18.086 181 HH21 ARG 24 HH11 ARG 24 68.973 9.619 -16.124 182 HH22 ARG 24 HH12 ARG 24 69.510 10.119 -17.693 183 H LYS 25 HN LYS 25 75.849 8.635 -17.111 184 HA LYS 25 HA LYS 25 78.345 7.370 -16.322 185 HB2 LYS 25 HB2 LYS 25 77.816 10.315 -16.810 186 HB3 LYS 25 HB1 LYS 25 79.373 9.490 -16.882 187 HG2 LYS 25 HG2 LYS 25 77.019 8.869 -18.689 188 HG3 LYS 25 HG1 LYS 25 78.388 9.885 -19.144 189 HD2 LYS 25 HD2 LYS 25 79.842 7.845 -18.435 190 HD3 LYS 25 HD1 LYS 25 78.344 6.926 -18.582 191 HE2 LYS 25 HE2 LYS 25 79.785 8.489 -20.731 192 HE3 LYS 25 HE1 LYS 25 79.382 6.772 -20.720 193 HZ1 LYS 25 HZ1 LYS 25 77.887 8.111 -22.120 194 HZ2 LYS 25 HZ2 LYS 25 77.387 8.971 -20.743 195 HZ3 LYS 25 HZ3 LYS 25 77.065 7.307 -20.872 196 H GLY 26 HN GLY 26 76.311 9.957 -14.934 197 HA2 GLY 26 HA2 GLY 26 76.132 10.692 -12.711 198 HA3 GLY 26 HA1 GLY 26 76.908 9.182 -12.231 199 HA PRO 27 HA PRO 27 79.740 12.960 -11.607 200 HB2 PRO 27 HB2 PRO 27 79.922 11.808 -8.879 201 HB3 PRO 27 HB1 PRO 27 79.675 13.491 -9.378 202 HG2 PRO 27 HG2 PRO 27 77.708 12.017 -8.325 203 HG3 PRO 27 HG1 PRO 27 77.406 13.242 -9.569 204 HD2 PRO 27 HD2 PRO 27 77.478 10.258 -9.841 205 HD3 PRO 27 HD1 PRO 27 76.455 11.444 -10.684 206 HA PRO 28 HA PRO 28 83.002 9.940 -12.571 207 HB2 PRO 28 HB2 PRO 28 84.689 12.386 -12.266 208 HB3 PRO 28 HB1 PRO 28 84.631 11.214 -13.597 209 HG2 PRO 28 HG2 PRO 28 83.536 13.639 -13.811 210 HG3 PRO 28 HG1 PRO 28 82.812 12.215 -14.576 211 HD2 PRO 28 HD2 PRO 28 81.912 13.711 -12.152 212 HD3 PRO 28 HD1 PRO 28 80.949 12.820 -13.352 213 H LYS 29 HN LYS 29 85.065 9.271 -11.506 214 HA LYS 29 HA LYS 29 86.569 9.145 -9.655 215 HB2 LYS 29 HB2 LYS 29 84.518 10.680 -8.035 216 HB3 LYS 29 HB1 LYS 29 86.177 10.311 -7.584 217 HG2 LYS 29 HG2 LYS 29 86.086 11.650 -10.162 218 HG3 LYS 29 HG1 LYS 29 85.283 12.615 -8.923 219 HD2 LYS 29 HD2 LYS 29 87.267 12.410 -7.471 220 HD3 LYS 29 HD1 LYS 29 88.073 11.444 -8.707 221 HE2 LYS 29 HE2 LYS 29 88.911 13.582 -9.148 222 HE3 LYS 29 HE1 LYS 29 87.551 13.486 -10.266 223 HZ1 LYS 29 HZ1 LYS 29 87.449 15.554 -9.103 224 HZ2 LYS 29 HZ2 LYS 29 87.573 14.781 -7.596 225 HZ3 LYS 29 HZ3 LYS 29 86.180 14.576 -8.546 226 H1U RCY 30 H1U RCY 30 80.599 9.800 -7.479 227 H1S RCY 30 H1S RCY 30 82.575 9.413 -4.934 228 HB1 RCY 30 HB1 RCY 30 83.763 5.857 -5.725 229 HB2 RCY 30 HB2 RCY 30 83.016 6.542 -7.168 230 HA RCY 30 HA RCY 30 85.877 5.765 -6.696 231 HN1 RCY 30 HN1 RCY 30 86.619 7.646 -7.888 232 H LYS 31 HN LYS 31 85.470 6.300 -9.871 233 HA LYS 31 HA LYS 31 84.056 3.710 -10.373 234 HB2 LYS 31 HB2 LYS 31 83.696 4.565 -12.659 235 HB3 LYS 31 HB1 LYS 31 83.038 5.680 -11.460 236 HG2 LYS 31 HG2 LYS 31 85.227 6.950 -11.586 237 HG3 LYS 31 HG1 LYS 31 85.651 5.938 -12.967 238 HD2 LYS 31 HD2 LYS 31 83.023 7.404 -12.914 239 HD3 LYS 31 HD1 LYS 31 84.496 8.237 -13.411 240 HE2 LYS 31 HE2 LYS 31 83.402 5.686 -14.635 241 HE3 LYS 31 HE1 LYS 31 83.349 7.289 -15.369 242 HZ1 LYS 31 HZ1 LYS 31 85.982 6.782 -14.593 243 HZ2 LYS 31 HZ2 LYS 31 85.365 6.943 -16.168 244 HZ3 LYS 31 HZ3 LYS 31 85.433 5.414 -15.432 245 H GLN 32 HN GLN 32 87.106 4.918 -10.061 246 HA GLN 32 HA GLN 32 88.451 3.891 -12.377 247 HB2 GLN 32 HB2 GLN 32 89.304 4.589 -9.574 248 HB3 GLN 32 HB1 GLN 32 90.436 3.785 -10.662 249 HG2 GLN 32 HG2 GLN 32 90.719 6.205 -10.845 250 HG3 GLN 32 HG1 GLN 32 90.037 5.580 -12.347 251 HE21 GLN 32 HE21 GLN 32 89.578 7.910 -9.893 252 HE22 GLN 32 HE22 GLN 32 87.974 8.327 -10.259 253 H ARG 33 HN ARG 33 86.568 2.177 -10.387 254 HA ARG 33 HA ARG 33 86.453 -0.090 -9.780 255 HE ARG 33 HE ARG 33 86.022 -1.217 -13.614 256 HB2 ARG 33 HB2 ARG 33 86.904 -0.117 -12.339 257 HB3 ARG 33 HB1 ARG 33 88.543 -0.593 -11.897 258 HG2 ARG 33 HG2 ARG 33 87.653 -2.508 -10.626 259 HG3 ARG 33 HG1 ARG 33 86.009 -2.032 -11.052 260 HD2 ARG 33 HD2 ARG 33 88.184 -2.797 -13.024 261 HD3 ARG 33 HD1 ARG 33 86.828 -3.820 -12.547 262 HH11 ARG 33 HH21 ARG 33 86.866 -4.501 -14.236 263 HH12 ARG 33 HH22 ARG 33 86.003 -4.579 -15.735 264 HH21 ARG 33 HH11 ARG 33 84.890 -1.299 -15.569 265 HH22 ARG 33 HH12 ARG 33 84.884 -2.766 -16.490 266 H GLN 34 HN GLN 34 88.337 1.547 -8.347 267 HA GLN 34 HA GLN 34 90.905 0.334 -8.085 268 HB2 GLN 34 HB2 GLN 34 89.896 2.566 -7.073 269 HB3 GLN 34 HB1 GLN 34 89.519 1.526 -5.700 270 HG2 GLN 34 HG2 GLN 34 91.672 2.325 -5.182 271 HG3 GLN 34 HG1 GLN 34 91.996 0.746 -5.898 272 HE21 GLN 34 HE21 GLN 34 91.913 4.246 -6.681 273 HE22 GLN 34 HE22 GLN 34 92.999 4.139 -7.981 274 H THR 35 HN THR 35 90.632 -0.076 -5.094 275 HA THR 35 HA THR 35 89.733 -2.909 -5.261 276 HB THR 35 HB THR 35 91.195 -1.595 -2.962 277 HG1 THR 35 HG1 THR 35 92.089 -2.462 -5.459 278 HG21 THR 35 HG21 THR 35 90.112 -3.850 -2.674 279 HG22 THR 35 HG22 THR 35 91.861 -3.858 -2.443 280 HG23 THR 35 HG23 THR 35 91.167 -4.457 -3.950 281 H ARG 36 HN ARG 36 87.767 -3.415 -4.436 282 HA ARG 36 HA ARG 36 86.430 -1.459 -2.636 283 HE ARG 36 HE ARG 36 84.783 -4.250 -6.917 284 HB2 ARG 36 HB2 ARG 36 85.329 -3.886 -4.093 285 HB3 ARG 36 HB1 ARG 36 84.380 -2.753 -3.131 286 HG2 ARG 36 HG2 ARG 36 84.080 -1.808 -5.219 287 HG3 ARG 36 HG1 ARG 36 85.557 -0.973 -4.737 288 HD2 ARG 36 HD2 ARG 36 86.331 -1.760 -6.738 289 HD3 ARG 36 HD1 ARG 36 86.619 -3.229 -5.805 290 HH11 ARG 36 HH21 ARG 36 84.996 -0.855 -7.481 291 HH12 ARG 36 HH22 ARG 36 83.811 -0.856 -8.744 292 HH21 ARG 36 HH11 ARG 36 83.234 -4.270 -8.563 293 HH22 ARG 36 HH12 ARG 36 82.813 -2.789 -9.357 294 H GLN 37 HN GLN 37 88.459 -2.788 -1.342 295 HA GLN 37 HA GLN 37 87.550 -5.233 -0.072 296 HB2 GLN 37 HB2 GLN 37 89.476 -4.882 1.443 297 HB3 GLN 37 HB1 GLN 37 89.947 -4.691 -0.247 298 HG2 GLN 37 HG2 GLN 37 89.399 -2.162 0.153 299 HG3 GLN 37 HG1 GLN 37 89.574 -2.575 1.859 300 HE21 GLN 37 HE21 GLN 37 91.702 -3.996 2.259 301 HE22 GLN 37 HE22 GLN 37 93.095 -3.434 1.468 302 H1U RCY 38 H1U RCY 38 81.608 4.220 0.639 303 H1S RCY 38 H1S RCY 38 83.108 -0.315 1.358 304 HB1 RCY 38 HB1 RCY 38 84.470 -2.527 2.242 305 HB2 RCY 38 HB2 RCY 38 84.968 -1.167 1.236 306 HA RCY 38 HA RCY 38 86.859 -0.812 2.938 307 HN1 RCY 38 HN1 RCY 38 87.849 -1.853 1.071 308 H LYS 39 HN LYS 39 84.488 -2.585 4.129 309 HA LYS 39 HA LYS 39 86.093 -3.567 6.357 310 HB2 LYS 39 HB2 LYS 39 83.548 -2.656 6.179 311 HB3 LYS 39 HB1 LYS 39 83.237 -4.387 6.097 312 HG2 LYS 39 HG2 LYS 39 84.917 -3.052 8.241 313 HG3 LYS 39 HG1 LYS 39 83.226 -3.512 8.442 314 HD2 LYS 39 HD2 LYS 39 85.475 -5.423 7.740 315 HD3 LYS 39 HD1 LYS 39 84.768 -5.239 9.346 316 HE2 LYS 39 HE2 LYS 39 82.509 -5.639 7.949 317 HE3 LYS 39 HE1 LYS 39 83.629 -6.518 6.908 318 HZ1 LYS 39 HZ1 LYS 39 83.439 -8.185 8.338 319 HZ2 LYS 39 HZ2 LYS 39 82.613 -7.228 9.473 320 HZ3 LYS 39 HZ3 LYS 39 84.311 -7.253 9.455 321 H SER 40 HN SER 40 87.349 -5.323 5.780 322 HA SER 40 HA SER 40 86.008 -7.608 4.398 323 HG SER 40 HG SER 40 89.361 -8.902 4.264 324 HB2 SER 40 HB2 SER 40 88.039 -6.901 3.289 325 HB3 SER 40 HB1 SER 40 88.932 -6.917 4.807 326 H LYS 41 HN LYS 41 88.490 -7.155 6.951 327 HA LYS 41 HA LYS 41 88.254 -9.694 8.126 328 HB2 LYS 41 HB2 LYS 41 88.577 -7.446 10.044 329 HB3 LYS 41 HB1 LYS 41 89.602 -8.855 9.784 330 HG2 LYS 41 HG2 LYS 41 90.982 -7.202 8.931 331 HG3 LYS 41 HG1 LYS 41 90.098 -7.642 7.469 332 HD2 LYS 41 HD2 LYS 41 88.415 -5.821 8.125 333 HD3 LYS 41 HD1 LYS 41 89.622 -5.277 9.290 334 HE2 LYS 41 HE2 LYS 41 90.118 -5.593 6.315 335 HE3 LYS 41 HE1 LYS 41 89.784 -4.060 7.120 336 HZ1 LYS 41 HZ1 LYS 41 92.041 -4.053 7.179 337 HZ2 LYS 41 HZ2 LYS 41 92.171 -5.746 7.239 338 HZ3 LYS 41 HZ3 LYS 41 91.749 -4.874 8.634 339 HA PRO 42 HA PRO 42 84.337 -10.280 10.057 340 HB2 PRO 42 HB2 PRO 42 85.826 -10.117 12.664 341 HB3 PRO 42 HB1 PRO 42 84.610 -11.299 12.140 342 HG2 PRO 42 HG2 PRO 42 87.235 -11.837 12.099 343 HG3 PRO 42 HG1 PRO 42 86.113 -12.497 10.899 344 HD2 PRO 42 HD2 PRO 42 88.221 -10.467 10.541 345 HD3 PRO 42 HD1 PRO 42 87.374 -11.435 9.316 346 HA PRO 43 HA PRO 43 82.977 -6.221 11.231 347 HB2 PRO 43 HB2 PRO 43 80.674 -6.804 12.599 348 HB3 PRO 43 HB1 PRO 43 80.816 -6.921 10.834 349 HG2 PRO 43 HG2 PRO 43 80.935 -9.077 12.882 350 HG3 PRO 43 HG1 PRO 43 80.170 -9.077 11.284 351 HD2 PRO 43 HD2 PRO 43 82.590 -10.263 11.769 352 HD3 PRO 43 HD1 PRO 43 82.147 -9.583 10.188 353 H LYS 44 HN LYS 44 83.769 -4.917 12.816 354 HA LYS 44 HA LYS 44 83.622 -5.850 15.653 355 HB2 LYS 44 HB2 LYS 44 85.995 -4.531 14.296 356 HB3 LYS 44 HB1 LYS 44 85.871 -4.842 16.027 357 HG2 LYS 44 HG2 LYS 44 85.568 -7.052 13.988 358 HG3 LYS 44 HG1 LYS 44 87.143 -6.591 14.634 359 HD2 LYS 44 HD2 LYS 44 86.045 -6.860 16.962 360 HD3 LYS 44 HD1 LYS 44 84.775 -7.737 16.109 361 HE2 LYS 44 HE2 LYS 44 86.342 -9.397 16.808 362 HE3 LYS 44 HE1 LYS 44 86.636 -9.159 15.086 363 HZ1 LYS 44 HZ1 LYS 44 88.718 -8.662 15.587 364 HZ2 LYS 44 HZ2 LYS 44 88.397 -8.757 17.253 365 HZ3 LYS 44 HZ3 LYS 44 88.179 -7.289 16.425 366 H LYS 45 HN LYS 45 84.984 -2.920 14.156 367 HA LYS 45 HA LYS 45 83.323 -1.278 15.956 368 HB2 LYS 45 HB2 LYS 45 85.479 -0.589 13.940 369 HB3 LYS 45 HB1 LYS 45 84.616 0.617 14.894 370 HG2 LYS 45 HG2 LYS 45 85.491 -0.209 16.938 371 HG3 LYS 45 HG1 LYS 45 86.016 -1.721 16.195 372 HD2 LYS 45 HD2 LYS 45 87.149 0.768 15.035 373 HD3 LYS 45 HD1 LYS 45 87.699 0.346 16.657 374 HE2 LYS 45 HE2 LYS 45 89.140 -0.654 14.892 375 HE3 LYS 45 HE1 LYS 45 88.358 -1.882 15.887 376 HZ1 LYS 45 HZ1 LYS 45 86.652 -2.117 14.190 377 HZ2 LYS 45 HZ2 LYS 45 88.194 -2.420 13.542 378 HZ3 LYS 45 HZ3 LYS 45 87.414 -0.943 13.232 379 H GLY 46 HN GLY 46 81.364 -2.201 14.682 380 HA2 GLY 46 HA2 GLY 46 80.376 -0.112 12.950 381 HA3 GLY 46 HA1 GLY 46 80.759 -1.565 12.025 382 H VAL 47 HN VAL 47 79.411 -1.251 15.314 383 HA VAL 47 HA VAL 47 77.493 -3.346 14.874 384 HB VAL 47 HB VAL 47 77.579 -1.162 16.977 385 HG11 VAL 47 HG11 VAL 47 75.334 -1.997 16.898 386 HG12 VAL 47 HG12 VAL 47 76.122 -2.828 18.239 387 HG13 VAL 47 HG13 VAL 47 75.891 -3.659 16.701 388 HG21 VAL 47 HG21 VAL 47 79.521 -2.770 16.869 389 HG22 VAL 47 HG22 VAL 47 78.376 -4.084 17.139 390 HG23 VAL 47 HG23 VAL 47 78.610 -2.849 18.377 391 H GLN 48 HN GLN 48 77.489 0.049 14.183 392 HA GLN 48 HA GLN 48 74.765 -0.223 13.045 393 HB2 GLN 48 HB2 GLN 48 74.811 0.784 15.486 394 HB3 GLN 48 HB1 GLN 48 75.371 2.240 14.663 395 HG2 GLN 48 HG2 GLN 48 72.810 0.719 14.088 396 HG3 GLN 48 HG1 GLN 48 72.939 2.313 14.833 397 HE21 GLN 48 HE21 GLN 48 72.788 0.637 11.805 398 HE22 GLN 48 HE22 GLN 48 73.049 1.982 10.804 399 H GLY 49 HN GLY 49 77.714 1.704 13.436 400 HA2 GLY 49 HA2 GLY 49 78.068 2.183 10.673 401 HA3 GLY 49 HA1 GLY 49 77.191 3.569 11.325 402 H1U RCY 50 H1U RCY 50 80.811 5.020 6.081 403 H1S RCY 50 H1S RCY 50 81.259 7.276 10.142 404 HB1 RCY 50 HB1 RCY 50 81.926 3.717 10.483 405 HB2 RCY 50 HB2 RCY 50 83.269 4.011 11.584 406 HA RCY 50 HA RCY 50 82.216 2.251 12.671 407 HN1 RCY 50 HN1 RCY 50 80.191 1.722 11.567 408 H GLY 51 HN GLY 51 79.723 2.771 14.244 409 HA2 GLY 51 HA2 GLY 51 79.716 3.432 16.582 410 HA3 GLY 51 HA1 GLY 51 80.951 4.637 16.212 411 H ASP 52 HN ASP 52 77.882 4.004 14.520 412 HA ASP 52 HA ASP 52 77.235 6.887 14.771 413 HB2 ASP 52 HB2 ASP 52 77.082 5.537 12.579 414 HB3 ASP 52 HB1 ASP 52 75.630 4.813 13.270 415 H ASP 53 HN ASP 53 74.467 6.808 14.683 416 HA ASP 53 HA ASP 53 73.297 5.059 16.648 417 HB2 ASP 53 HB2 ASP 53 73.011 6.670 18.476 418 HB3 ASP 53 HB1 ASP 53 74.729 6.427 18.157 419 H ILE 54 HN ILE 54 72.961 6.706 14.023 420 HA ILE 54 HA ILE 54 70.091 7.260 14.476 421 HB ILE 54 HB ILE 54 70.435 9.476 13.177 422 HG12 ILE 54 HG12 ILE 54 73.194 9.268 14.395 423 HG13 ILE 54 HG11 ILE 54 72.885 8.828 12.715 424 HG21 ILE 54 HG21 ILE 54 69.796 9.278 15.587 425 HG22 ILE 54 HG22 ILE 54 70.791 10.696 15.259 426 HG23 ILE 54 HG23 ILE 54 71.509 9.269 16.007 427 HD11 ILE 54 HD11 ILE 54 72.057 11.058 12.226 428 HD12 ILE 54 HD12 ILE 54 73.637 11.206 12.996 429 HD13 ILE 54 HD13 ILE 54 72.171 11.514 13.926 430 HA PRO 55 HA PRO 55 71.066 5.383 10.363 431 HB2 PRO 55 HB2 PRO 55 69.419 3.235 10.553 432 HB3 PRO 55 HB1 PRO 55 71.041 3.253 11.272 433 HG2 PRO 55 HG2 PRO 55 68.396 3.595 12.574 434 HG3 PRO 55 HG1 PRO 55 69.855 2.788 13.170 435 HD2 PRO 55 HD2 PRO 55 69.044 5.357 13.897 436 HD3 PRO 55 HD1 PRO 55 70.694 4.723 14.070 437 H GLY 56 HN GLY 56 69.759 7.505 9.934 438 HA2 GLY 56 HA2 GLY 56 67.650 7.001 8.146 439 HA3 GLY 56 HA1 GLY 56 66.894 7.373 9.696 440 H MET 57 HN MET 57 68.142 9.384 10.784 441 HA MET 57 HA MET 57 67.580 11.643 9.093 442 HB2 MET 57 HB2 MET 57 67.508 11.572 11.644 443 HB3 MET 57 HB1 MET 57 69.268 11.686 11.604 444 HG2 MET 57 HG2 MET 57 68.924 13.746 10.095 445 HG3 MET 57 HG1 MET 57 67.243 13.701 10.627 446 HE1 MET 57 HE1 MET 57 66.726 13.198 13.206 447 HE2 MET 57 HE2 MET 57 66.409 14.847 12.672 448 HE3 MET 57 HE3 MET 57 67.178 14.565 14.233 449 H GLU 58 HN GLU 58 68.935 11.255 7.218 450 HA GLU 58 HA GLU 58 71.844 11.197 7.558 451 HB2 GLU 58 HB2 GLU 58 71.954 10.976 5.185 452 HB3 GLU 58 HB1 GLU 58 70.539 10.048 5.677 453 HG2 GLU 58 HG2 GLU 58 70.592 12.826 4.473 454 HG3 GLU 58 HG1 GLU 58 69.857 11.374 3.793 455 H GLY 59 HN GLY 59 72.782 12.880 5.596 456 HA2 GLY 59 HA2 GLY 59 71.653 15.559 5.902 457 HA3 GLY 59 HA1 GLY 59 73.168 15.330 6.778 458 H1U RCY 60 H1U RCY 60 76.117 7.795 -1.993 459 H1S RCY 60 H1S RCY 60 73.952 11.625 -0.104 460 HB1 RCY 60 HB1 RCY 60 73.355 12.715 1.426 461 HB2 RCY 60 HB2 RCY 60 74.606 12.262 2.583 462 HA RCY 60 HA RCY 60 75.162 14.760 2.732 463 HN1 RCY 60 HN1 RCY 60 72.979 13.370 4.016 464 H GLY 61 HN GLY 61 74.701 15.007 0.114 465 HA2 GLY 61 HA2 GLY 61 72.873 17.283 -0.028 466 HA3 GLY 61 HA1 GLY 61 73.898 16.694 -1.337 467 H THR 62 HN THR 62 71.459 14.947 0.581 468 HA THR 62 HA THR 62 69.529 13.806 -0.101 469 HB THR 62 HB THR 62 68.131 14.908 -1.589 470 HG1 THR 62 HG1 THR 62 69.738 14.474 -3.321 471 HG21 THR 62 HG21 THR 62 70.017 17.213 -1.462 472 HG22 THR 62 HG22 THR 62 69.499 16.507 0.069 473 HG23 THR 62 HG23 THR 62 68.301 17.140 -1.060 474 H ASP 63 HN ASP 63 72.367 13.178 -1.130 475 HA ASP 63 HA ASP 63 72.031 11.992 -3.744 476 HB2 ASP 63 HB2 ASP 63 74.237 12.628 -2.630 477 HB3 ASP 63 HB1 ASP 63 74.057 11.173 -1.650 478 H ILE 64 HN ILE 64 70.096 11.261 -1.498 479 HA ILE 64 HA ILE 64 70.020 8.389 -2.119 480 HB ILE 64 HB ILE 64 71.504 8.546 -0.111 481 HG12 ILE 64 HG12 ILE 64 68.803 7.369 0.595 482 HG13 ILE 64 HG11 ILE 64 69.898 6.617 -0.566 483 HG21 ILE 64 HG21 ILE 64 70.682 9.396 1.963 484 HG22 ILE 64 HG22 ILE 64 69.035 9.515 1.343 485 HG23 ILE 64 HG23 ILE 64 70.280 10.619 0.758 486 HD11 ILE 64 HD11 ILE 64 70.126 5.717 1.774 487 HD12 ILE 64 HD12 ILE 64 70.679 7.314 2.278 488 HD13 ILE 64 HD13 ILE 64 71.622 6.380 1.116 489 H THR 65 HN THR 65 68.596 11.319 -0.985 490 HA THR 65 HA THR 65 66.023 10.096 -0.279 491 HB THR 65 HB THR 65 66.587 13.029 -0.778 492 HG1 THR 65 HG1 THR 65 67.472 11.343 1.179 493 HG21 THR 65 HG21 THR 65 64.679 13.406 0.596 494 HG22 THR 65 HG22 THR 65 64.655 11.732 1.150 495 HG23 THR 65 HG23 THR 65 64.209 12.118 -0.512 496 H VAL 66 HN VAL 66 67.528 11.550 -3.085 497 HA VAL 66 HA VAL 66 65.070 10.910 -4.652 498 HB VAL 66 HB VAL 66 66.680 13.477 -4.801 499 HG11 VAL 66 HG11 VAL 66 66.179 12.883 -7.055 500 HG12 VAL 66 HG12 VAL 66 64.922 14.027 -6.583 501 HG13 VAL 66 HG13 VAL 66 64.572 12.298 -6.621 502 HG21 VAL 66 HG21 VAL 66 64.930 13.299 -3.008 503 HG22 VAL 66 HG22 VAL 66 63.732 12.995 -4.267 504 HG23 VAL 66 HG23 VAL 66 64.574 14.544 -4.206 505 H ILE 67 HN ILE 67 68.521 11.092 -4.379 506 HA ILE 67 HA ILE 67 68.755 9.640 -6.980 507 HB ILE 67 HB ILE 67 70.749 11.710 -6.015 508 HG12 ILE 67 HG12 ILE 67 69.669 12.802 -8.242 509 HG13 ILE 67 HG11 ILE 67 68.253 11.959 -7.613 510 HG21 ILE 67 HG21 ILE 67 71.524 9.852 -7.535 511 HG22 ILE 67 HG22 ILE 67 71.700 11.466 -8.226 512 HG23 ILE 67 HG23 ILE 67 70.367 10.429 -8.735 513 HD11 ILE 67 HD11 ILE 67 68.914 13.038 -5.335 514 HD12 ILE 67 HD12 ILE 67 68.126 14.049 -6.547 515 HD13 ILE 67 HD13 ILE 67 69.872 14.143 -6.320 516 H1U RCY 68 H1U RCY 68 72.285 1.548 0.638 517 H1S RCY 68 H1S RCY 68 71.843 3.105 -3.328 518 HB1 RCY 68 HB1 RCY 68 68.677 6.142 -4.219 519 HB2 RCY 68 HB2 RCY 68 69.770 6.119 -2.840 520 HA RCY 68 HA RCY 68 71.229 7.479 -3.898 521 HN1 RCY 68 HN1 RCY 68 68.977 7.664 -5.830 522 HA PRO 69 HA PRO 69 74.318 5.630 -6.405 523 HB2 PRO 69 HB2 PRO 69 73.769 3.117 -4.852 524 HB3 PRO 69 HB1 PRO 69 75.325 3.859 -5.275 525 HG2 PRO 69 HG2 PRO 69 74.223 4.143 -2.849 526 HG3 PRO 69 HG1 PRO 69 75.183 5.423 -3.607 527 HD2 PRO 69 HD2 PRO 69 72.284 5.351 -3.080 528 HD3 PRO 69 HD1 PRO 69 73.324 6.743 -3.453 529 H TRP 70 HN TRP 70 71.278 3.813 -6.037 530 HA TRP 70 HA TRP 70 71.775 2.034 -8.245 531 HD1 TRP 70 HD1 TRP 70 69.625 5.017 -7.753 532 HE1 TRP 70 HE1 TRP 70 67.910 6.154 -6.203 533 HE3 TRP 70 HE3 TRP 70 67.868 0.934 -5.241 534 HZ2 TRP 70 HZ2 TRP 70 66.035 5.427 -4.162 535 HZ3 TRP 70 HZ3 TRP 70 66.122 1.183 -3.504 536 HH2 TRP 70 HH2 TRP 70 65.204 3.419 -2.960 537 HB2 TRP 70 HB2 TRP 70 69.255 1.754 -8.258 538 HB3 TRP 70 HB1 TRP 70 70.043 1.396 -6.727 539 H GLU 71 HN GLU 71 71.945 5.160 -8.455 540 HA GLU 71 HA GLU 71 70.722 5.256 -11.174 541 HB2 GLU 71 HB2 GLU 71 70.370 7.220 -8.906 542 HB3 GLU 71 HB1 GLU 71 70.200 7.730 -10.586 543 HG2 GLU 71 HG2 GLU 71 68.748 5.249 -9.895 544 HG3 GLU 71 HG1 GLU 71 68.154 6.703 -9.090 545 H ALA 72 HN ALA 72 73.239 6.133 -8.944 546 HA ALA 72 HA ALA 72 74.553 8.040 -10.712 547 HB1 ALA 72 HB1 ALA 72 75.797 6.488 -8.427 548 HB2 ALA 72 HB2 ALA 72 74.830 7.943 -8.188 549 HB3 ALA 72 HB3 ALA 72 76.339 8.026 -9.098 550 H1U RCY 73 H1U RCY 73 79.538 4.194 -4.989 551 H1S RCY 73 H1S RCY 73 78.094 6.513 -8.137 552 HB1 RCY 73 HB1 RCY 73 79.422 5.939 -12.347 553 HB2 RCY 73 HB2 RCY 73 79.691 4.555 -11.295 554 HA RCY 73 HA RCY 73 77.320 5.133 -12.605 555 HN1 RCY 73 HN1 RCY 73 77.196 6.515 -10.025 556 H ASN 74 HN ASN 74 76.471 4.271 -9.433 557 HA ASN 74 HA ASN 74 76.131 2.198 -8.390 558 HB2 ASN 74 HB2 ASN 74 76.009 1.057 -11.186 559 HB3 ASN 74 HB1 ASN 74 75.118 0.541 -9.755 560 HD21 ASN 74 HD21 ASN 74 73.031 1.372 -9.565 561 HD22 ASN 74 HD22 ASN 74 72.453 2.742 -10.383 562 H HIS 75 HN HIS 75 77.679 0.786 -11.251 563 HA HIS 75 HA HIS 75 79.514 -0.688 -11.337 564 HD1 HIS 75 HD1 HIS 75 81.200 -1.851 -10.716 565 HD2 HIS 75 HD2 HIS 75 83.562 1.564 -11.120 566 HE1 HIS 75 HE1 HIS 75 83.537 -2.658 -11.264 567 HE2 HIS 75 HE2 HIS 75 84.985 -0.590 -11.513 568 HB2 HIS 75 HB2 HIS 75 80.525 1.645 -11.272 569 HB3 HIS 75 HB1 HIS 75 80.792 1.392 -9.547 570 H1U RCY 76 H1U RCY 76 75.586 -5.417 -2.927 571 H1S RCY 76 H1S RCY 76 74.987 -2.097 -6.404 572 HB1 RCY 76 HB1 RCY 76 78.305 -1.763 -6.599 573 HB2 RCY 76 HB2 RCY 76 77.924 -3.473 -6.402 574 HA RCY 76 HA RCY 76 80.130 -2.920 -7.599 575 HN1 RCY 76 HN1 RCY 76 78.724 -2.463 -10.117 576 H GLU 77 HN GLU 77 79.277 -4.003 -10.448 577 HA GLU 77 HA GLU 77 78.073 -6.575 -9.894 578 HB2 GLU 77 HB2 GLU 77 79.625 -5.516 -12.271 579 HB3 GLU 77 HB1 GLU 77 78.882 -7.115 -12.230 580 HG2 GLU 77 HG2 GLU 77 77.347 -4.555 -11.722 581 HG3 GLU 77 HG1 GLU 77 77.452 -5.326 -13.305 582 H LEU 78 HN LEU 78 80.261 -6.120 -8.130 583 HA LEU 78 HA LEU 78 81.905 -8.486 -8.807 584 HG LEU 78 HG LEU 78 84.217 -8.367 -7.732 585 HB2 LEU 78 HB2 LEU 78 83.068 -6.345 -9.634 586 HB3 LEU 78 HB1 LEU 78 83.244 -5.920 -7.932 587 HD11 LEU 78 HD11 LEU 78 83.737 -9.055 -10.020 588 HD12 LEU 78 HD12 LEU 78 85.485 -8.963 -9.807 589 HD13 LEU 78 HD13 LEU 78 84.630 -7.675 -10.656 590 HD21 LEU 78 HD21 LEU 78 86.477 -7.444 -8.176 591 HD22 LEU 78 HD22 LEU 78 85.479 -6.303 -7.275 592 HD23 LEU 78 HD23 LEU 78 85.743 -6.070 -9.003 593 H HIS 79 HN HIS 79 82.133 -9.715 -6.992 594 HA HIS 79 HA HIS 79 82.281 -8.427 -4.341 595 HD1 HIS 79 HD1 HIS 79 79.441 -7.076 -3.647 596 HD2 HIS 79 HD2 HIS 79 79.029 -9.335 -7.129 597 HE1 HIS 79 HE1 HIS 79 77.919 -5.755 -5.181 598 HE2 HIS 79 HE2 HIS 79 77.660 -7.119 -7.305 599 HB2 HIS 79 HB2 HIS 79 80.184 -10.554 -4.793 600 HB3 HIS 79 HB1 HIS 79 80.362 -9.466 -3.416 601 H GLU 80 HN GLU 80 83.441 -9.695 -2.895 602 HA GLU 80 HA GLU 80 83.915 -12.547 -3.528 603 HB2 GLU 80 HB2 GLU 80 86.167 -10.524 -3.294 604 HB3 GLU 80 HB1 GLU 80 86.369 -12.271 -3.431 605 HG2 GLU 80 HG2 GLU 80 85.037 -12.120 -5.605 606 HG3 GLU 80 HG1 GLU 80 85.236 -10.371 -5.494 607 H LEU 81 HN LEU 81 84.757 -9.808 -1.394 608 HA LEU 81 HA LEU 81 85.326 -11.578 0.853 609 HG LEU 81 HG LEU 81 84.038 -8.465 -0.217 610 HB2 LEU 81 HB2 LEU 81 85.495 -9.475 2.153 611 HB3 LEU 81 HB1 LEU 81 86.448 -9.403 0.672 612 HD11 LEU 81 HD11 LEU 81 82.990 -7.098 1.387 613 HD12 LEU 81 HD12 LEU 81 84.386 -7.134 2.464 614 HD13 LEU 81 HD13 LEU 81 83.363 -8.561 2.298 615 HD21 LEU 81 HD21 LEU 81 86.370 -6.964 1.008 616 HD22 LEU 81 HD22 LEU 81 85.101 -6.183 0.065 617 HD23 LEU 81 HD23 LEU 81 86.147 -7.386 -0.689 618 H ALA 82 HN ALA 82 82.550 -9.751 -0.318 619 HA ALA 82 HA ALA 82 80.959 -9.850 2.046 620 HB1 ALA 82 HB1 ALA 82 80.427 -8.528 -0.032 621 HB2 ALA 82 HB2 ALA 82 79.062 -9.453 0.594 622 HB3 ALA 82 HB3 ALA 82 79.955 -10.039 -0.809 623 H GLN 83 HN GLN 83 81.100 -11.897 3.043 624 HA GLN 83 HA GLN 83 79.342 -13.941 1.920 625 HB2 GLN 83 HB2 GLN 83 81.376 -14.523 0.721 626 HB3 GLN 83 HB1 GLN 83 82.316 -14.460 2.210 627 HG2 GLN 83 HG2 GLN 83 81.696 -16.796 1.515 628 HG3 GLN 83 HG1 GLN 83 81.111 -16.360 3.122 629 HE21 GLN 83 HE21 GLN 83 80.120 -17.222 -0.124 630 HE22 GLN 83 HE22 GLN 83 78.448 -17.186 0.167 631 H TYR 84 HN TYR 84 81.188 -12.549 4.460 632 HA TYR 84 HA TYR 84 79.744 -14.265 6.420 633 HD1 TYR 84 HD2 TYR 84 83.359 -12.163 5.936 634 HD2 TYR 84 HD1 TYR 84 82.695 -16.319 5.076 635 HE1 TYR 84 HE2 TYR 84 85.065 -12.065 4.138 636 HE2 TYR 84 HE1 TYR 84 84.401 -16.220 3.279 637 HH TYR 84 HH TYR 84 85.998 -14.981 2.329 638 HB2 TYR 84 HB2 TYR 84 82.255 -13.808 7.597 639 HB3 TYR 84 HB1 TYR 84 81.668 -15.341 6.953 640 H GLY 85 HN GLY 85 79.825 -11.352 5.340 641 HA2 GLY 85 HA2 GLY 85 79.231 -10.111 7.900 642 HA3 GLY 85 HA1 GLY 85 80.731 -9.504 7.200 643 H ILE 86 HN ILE 86 79.584 -9.977 4.432 644 HA ILE 86 HA ILE 86 78.653 -8.517 2.832 645 HB ILE 86 HB ILE 86 76.393 -8.483 4.856 646 HG12 ILE 86 HG12 ILE 86 77.012 -10.484 2.657 647 HG13 ILE 86 HG11 ILE 86 77.192 -10.786 4.386 648 HG21 ILE 86 HG21 ILE 86 74.976 -8.121 2.923 649 HG22 ILE 86 HG22 ILE 86 76.347 -8.310 1.829 650 HG23 ILE 86 HG23 ILE 86 76.256 -6.908 2.896 651 HD11 ILE 86 HD11 ILE 86 74.613 -10.146 2.925 652 HD12 ILE 86 HD12 ILE 86 74.756 -10.284 4.677 653 HD13 ILE 86 HD13 ILE 86 75.054 -11.690 3.654 654 H1U RCY 87 H1U RCY 87 80.224 -6.854 2.347 655 H1S RCY 87 H1S RCY 87 76.468 -5.889 3.427 656 HB1 RCY 87 HB1 RCY 87 76.268 -3.323 5.914 657 HB2 RCY 87 HB2 RCY 87 75.545 -4.929 5.828 658 HA RCY 87 HA RCY 87 78.148 -4.314 4.432 659 HN1 RCY 87 HN1 RCY 87 76.619 -6.756 4.941 Start of MODEL 16 1 HA MET 1 HA MET 1 60.610 14.313 23.040 2 HB2 MET 1 HB2 MET 1 58.521 14.755 20.903 3 HB3 MET 1 HB1 MET 1 58.294 14.171 22.553 4 HG2 MET 1 HG2 MET 1 59.109 16.424 23.365 5 HG3 MET 1 HG1 MET 1 59.050 16.975 21.690 6 HE1 MET 1 HE1 MET 1 57.635 18.853 22.748 7 HE2 MET 1 HE2 MET 1 55.923 18.792 22.338 8 HE3 MET 1 HE3 MET 1 57.131 18.464 21.098 9 H ASN 2 HN ASN 2 62.366 14.013 20.536 10 HA ASN 2 HA ASN 2 63.034 12.249 19.143 11 HB2 ASN 2 HB2 ASN 2 62.747 11.073 21.426 12 HB3 ASN 2 HB1 ASN 2 61.219 10.474 20.780 13 HD21 ASN 2 HD21 ASN 2 61.459 8.429 19.883 14 HD22 ASN 2 HD22 ASN 2 62.841 7.873 19.068 15 H LEU 3 HN LEU 3 62.226 10.873 17.391 16 HA LEU 3 HA LEU 3 59.335 10.764 16.921 17 HG LEU 3 HG LEU 3 58.644 11.111 14.537 18 HB2 LEU 3 HB2 LEU 3 60.155 13.098 16.193 19 HB3 LEU 3 HB1 LEU 3 61.012 12.260 14.901 20 HD11 LEU 3 HD11 LEU 3 57.816 13.837 15.545 21 HD12 LEU 3 HD12 LEU 3 57.774 12.409 16.580 22 HD13 LEU 3 HD13 LEU 3 56.784 12.471 15.122 23 HD21 LEU 3 HD21 LEU 3 58.104 12.983 12.936 24 HD22 LEU 3 HD22 LEU 3 59.767 12.405 12.822 25 HD23 LEU 3 HD23 LEU 3 59.413 13.913 13.666 26 H GLU 4 HN GLU 4 60.324 8.494 17.069 27 HA GLU 4 HA GLU 4 62.096 7.383 15.216 28 HB2 GLU 4 HB2 GLU 4 59.625 6.273 16.551 29 HB3 GLU 4 HB1 GLU 4 60.592 5.280 15.462 30 HG2 GLU 4 HG2 GLU 4 61.775 6.772 17.814 31 HG3 GLU 4 HG1 GLU 4 61.219 5.101 17.917 32 HA PRO 5 HA PRO 5 60.209 7.777 11.246 33 HB2 PRO 5 HB2 PRO 5 60.862 5.313 10.126 34 HB3 PRO 5 HB1 PRO 5 61.956 6.706 10.219 35 HG2 PRO 5 HG2 PRO 5 61.813 4.297 11.949 36 HG3 PRO 5 HG1 PRO 5 63.224 5.216 11.399 37 HD2 PRO 5 HD2 PRO 5 62.233 5.454 13.923 38 HD3 PRO 5 HD1 PRO 5 63.010 6.811 13.077 39 HA PRO 6 HA PRO 6 56.258 5.792 11.295 40 HB2 PRO 6 HB2 PRO 6 55.633 5.659 8.636 41 HB3 PRO 6 HB1 PRO 6 55.652 7.179 9.551 42 HG2 PRO 6 HG2 PRO 6 57.704 6.061 7.707 43 HG3 PRO 6 HG1 PRO 6 57.146 7.732 7.898 44 HD2 PRO 6 HD2 PRO 6 59.486 6.810 8.987 45 HD3 PRO 6 HD1 PRO 6 58.540 8.136 9.699 46 H LYS 7 HN LYS 7 55.643 3.699 11.578 47 HA LYS 7 HA LYS 7 56.239 1.347 11.667 48 HB2 LYS 7 HB2 LYS 7 55.099 0.341 9.652 49 HB3 LYS 7 HB1 LYS 7 54.125 1.513 10.537 50 HG2 LYS 7 HG2 LYS 7 55.827 2.619 8.368 51 HG3 LYS 7 HG1 LYS 7 54.472 1.616 7.849 52 HD2 LYS 7 HD2 LYS 7 52.945 2.999 9.241 53 HD3 LYS 7 HD1 LYS 7 54.308 4.031 9.678 54 HE2 LYS 7 HE2 LYS 7 53.357 5.187 7.871 55 HE3 LYS 7 HE1 LYS 7 54.644 4.261 7.098 56 HZ1 LYS 7 HZ1 LYS 7 53.021 2.552 6.543 57 HZ2 LYS 7 HZ2 LYS 7 52.582 4.052 5.878 58 HZ3 LYS 7 HZ3 LYS 7 51.787 3.467 7.261 59 H ALA 8 HN ALA 8 56.433 0.607 8.461 60 HA ALA 8 HA ALA 8 59.296 1.084 8.071 61 HB1 ALA 8 HB1 ALA 8 59.843 -1.357 7.951 62 HB2 ALA 8 HB2 ALA 8 58.243 -1.711 8.603 63 HB3 ALA 8 HB3 ALA 8 59.416 -0.828 9.579 64 H GLU 9 HN GLU 9 58.077 -1.839 6.746 65 HA GLU 9 HA GLU 9 56.687 -0.744 4.470 66 HB2 GLU 9 HB2 GLU 9 58.397 -1.095 2.760 67 HB3 GLU 9 HB1 GLU 9 59.000 0.047 3.962 68 HG2 GLU 9 HG2 GLU 9 60.067 -1.954 5.134 69 HG3 GLU 9 HG1 GLU 9 59.691 -2.885 3.684 70 H1U RCY 10 H1U RCY 10 61.579 -4.902 12.130 71 H1S RCY 10 H1S RCY 10 58.982 -4.760 9.060 72 HB1 RCY 10 HB1 RCY 10 56.615 -6.633 6.843 73 HB2 RCY 10 HB2 RCY 10 56.786 -5.037 7.575 74 HA RCY 10 HA RCY 10 57.809 -5.543 4.788 75 HN1 RCY 10 HN1 RCY 10 57.778 -3.256 6.395 76 H ARG 11 HN ARG 11 55.167 -3.402 5.423 77 HA ARG 11 HA ARG 11 52.911 -5.024 5.090 78 HE ARG 11 HE ARG 11 52.069 -0.146 4.310 79 HB2 ARG 11 HB2 ARG 11 53.028 -2.478 5.441 80 HB3 ARG 11 HB1 ARG 11 53.200 -2.361 3.689 81 HG2 ARG 11 HG2 ARG 11 51.095 -3.818 3.539 82 HG3 ARG 11 HG1 ARG 11 50.877 -3.490 5.258 83 HD2 ARG 11 HD2 ARG 11 50.769 -1.577 2.942 84 HD3 ARG 11 HD1 ARG 11 49.635 -1.767 4.279 85 HH11 ARG 11 HH21 ARG 11 49.721 -1.925 6.101 86 HH12 ARG 11 HH22 ARG 11 49.979 -1.044 7.570 87 HH21 ARG 11 HH11 ARG 11 52.419 1.016 6.217 88 HH22 ARG 11 HH12 ARG 11 51.507 0.621 7.636 89 H SER 12 HN SER 12 55.407 -4.313 2.802 90 HA SER 12 HA SER 12 54.012 -4.696 0.356 91 HG SER 12 HG SER 12 57.044 -5.973 1.837 92 HB2 SER 12 HB2 SER 12 56.123 -4.951 -0.638 93 HB3 SER 12 HB1 SER 12 56.494 -4.013 0.806 94 H ALA 13 HN ALA 13 55.122 -6.888 -0.923 95 HA ALA 13 HA ALA 13 54.716 -9.305 0.672 96 HB1 ALA 13 HB1 ALA 13 52.766 -8.769 -1.581 97 HB2 ALA 13 HB2 ALA 13 52.377 -8.465 0.113 98 HB3 ALA 13 HB3 ALA 13 52.741 -10.104 -0.429 99 H THR 14 HN THR 14 56.997 -8.819 -0.545 100 HA THR 14 HA THR 14 57.022 -10.736 -2.792 101 HB THR 14 HB THR 14 58.497 -9.108 -4.112 102 HG1 THR 14 HG1 THR 14 58.797 -7.233 -3.257 103 HG21 THR 14 HG21 THR 14 56.583 -8.056 -5.160 104 HG22 THR 14 HG22 THR 14 55.610 -8.283 -3.707 105 HG23 THR 14 HG23 THR 14 56.113 -9.680 -4.659 106 H ARG 15 HN ARG 15 58.122 -11.902 -0.995 107 HA ARG 15 HA ARG 15 60.700 -10.884 -0.067 108 HE ARG 15 HE ARG 15 61.767 -14.642 0.756 109 HB2 ARG 15 HB2 ARG 15 58.904 -12.722 0.917 110 HB3 ARG 15 HB1 ARG 15 60.148 -13.776 0.249 111 HG2 ARG 15 HG2 ARG 15 60.674 -11.475 2.157 112 HG3 ARG 15 HG1 ARG 15 60.602 -13.174 2.625 113 HD2 ARG 15 HD2 ARG 15 62.599 -11.856 0.771 114 HD3 ARG 15 HD1 ARG 15 62.923 -12.657 2.309 115 HH11 ARG 15 HH21 ARG 15 64.388 -12.423 0.449 116 HH12 ARG 15 HH22 ARG 15 65.334 -13.474 -0.552 117 HH21 ARG 15 HH11 ARG 15 62.987 -16.027 -0.548 118 HH22 ARG 15 HH12 ARG 15 64.541 -15.514 -1.116 119 H VAL 16 HN VAL 16 59.548 -12.752 -2.740 120 HA VAL 16 HA VAL 16 62.315 -12.974 -3.755 121 HB VAL 16 HB VAL 16 62.010 -15.094 -2.563 122 HG11 VAL 16 HG11 VAL 16 60.179 -16.599 -3.099 123 HG12 VAL 16 HG12 VAL 16 59.587 -15.497 -4.342 124 HG13 VAL 16 HG13 VAL 16 59.502 -15.036 -2.642 125 HG21 VAL 16 HG21 VAL 16 63.108 -14.974 -4.877 126 HG22 VAL 16 HG22 VAL 16 61.599 -15.628 -5.513 127 HG23 VAL 16 HG23 VAL 16 62.552 -16.567 -4.364 128 H MET 17 HN MET 17 62.372 -13.165 -6.053 129 HA MET 17 HA MET 17 61.566 -12.828 -8.228 130 HB2 MET 17 HB2 MET 17 60.270 -14.954 -7.497 131 HB3 MET 17 HB1 MET 17 58.894 -13.871 -7.287 132 HG2 MET 17 HG2 MET 17 59.291 -13.067 -9.657 133 HG3 MET 17 HG1 MET 17 60.462 -14.375 -9.829 134 HE1 MET 17 HE1 MET 17 59.221 -15.585 -11.815 135 HE2 MET 17 HE2 MET 17 58.299 -14.084 -11.782 136 HE3 MET 17 HE3 MET 17 57.455 -15.626 -11.901 137 H GLY 18 HN GLY 18 60.958 -10.909 -9.107 138 HA2 GLY 18 HA2 GLY 18 58.574 -9.501 -8.080 139 HA3 GLY 18 HA1 GLY 18 60.110 -8.651 -7.902 140 H GLY 19 HN GLY 19 57.526 -9.250 -10.006 141 HA2 GLY 19 HA2 GLY 19 58.977 -8.878 -12.507 142 HA3 GLY 19 HA1 GLY 19 57.224 -8.853 -12.316 143 HA PRO 20 HA PRO 20 56.830 -4.464 -12.101 144 HB2 PRO 20 HB2 PRO 20 56.699 -4.353 -9.120 145 HB3 PRO 20 HB1 PRO 20 55.541 -3.756 -10.324 146 HG2 PRO 20 HG2 PRO 20 55.065 -5.956 -8.907 147 HG3 PRO 20 HG1 PRO 20 54.567 -5.819 -10.602 148 HD2 PRO 20 HD2 PRO 20 56.852 -7.360 -9.428 149 HD3 PRO 20 HD1 PRO 20 55.822 -7.755 -10.822 150 H1U RCY 21 H1U RCY 21 61.890 -0.605 -5.085 151 H1S RCY 21 H1S RCY 21 62.323 -1.963 -9.450 152 HB1 RCY 21 HB1 RCY 21 62.219 -5.268 -11.848 153 HB2 RCY 21 HB2 RCY 21 61.339 -5.410 -10.326 154 HA RCY 21 HA RCY 21 60.750 -2.896 -10.707 155 HN1 RCY 21 HN1 RCY 21 59.368 -4.797 -12.540 156 H THR 22 HN THR 22 60.866 -1.195 -12.157 157 HA THR 22 HA THR 22 61.645 -1.732 -14.955 158 HB THR 22 HB THR 22 59.986 -0.083 -14.895 159 HG1 THR 22 HG1 THR 22 62.205 1.615 -14.613 160 HG21 THR 22 HG21 THR 22 61.425 0.942 -12.442 161 HG22 THR 22 HG22 THR 22 59.798 0.269 -12.540 162 HG23 THR 22 HG23 THR 22 60.142 1.851 -13.240 163 HA PRO 23 HA PRO 23 65.913 -0.780 -14.161 164 HB2 PRO 23 HB2 PRO 23 66.748 -0.132 -16.665 165 HB3 PRO 23 HB1 PRO 23 66.310 -1.791 -16.210 166 HG2 PRO 23 HG2 PRO 23 64.711 0.236 -17.696 167 HG3 PRO 23 HG1 PRO 23 64.878 -1.504 -17.986 168 HD2 PRO 23 HD2 PRO 23 62.719 -0.389 -16.694 169 HD3 PRO 23 HD1 PRO 23 63.275 -2.055 -16.416 170 H ARG 24 HN ARG 24 64.069 1.428 -13.607 171 HA ARG 24 HA ARG 24 65.951 3.668 -14.105 172 HE ARG 24 HE ARG 24 67.340 6.110 -16.877 173 HB2 ARG 24 HB2 ARG 24 63.226 3.411 -15.236 174 HB3 ARG 24 HB1 ARG 24 63.546 4.953 -14.445 175 HG2 ARG 24 HG2 ARG 24 65.573 3.819 -16.354 176 HG3 ARG 24 HG1 ARG 24 64.155 4.658 -16.985 177 HD2 ARG 24 HD2 ARG 24 64.707 6.656 -15.718 178 HD3 ARG 24 HD1 ARG 24 66.039 5.824 -14.916 179 HH11 ARG 24 HH21 ARG 24 63.996 6.780 -17.381 180 HH12 ARG 24 HH22 ARG 24 64.231 7.445 -18.963 181 HH21 ARG 24 HH11 ARG 24 67.667 6.975 -18.939 182 HH22 ARG 24 HH12 ARG 24 66.310 7.555 -19.845 183 H LYS 25 HN LYS 25 66.375 3.405 -11.816 184 HA LYS 25 HA LYS 25 64.135 3.850 -9.949 185 HB2 LYS 25 HB2 LYS 25 66.469 2.429 -9.735 186 HB3 LYS 25 HB1 LYS 25 66.915 3.920 -8.913 187 HG2 LYS 25 HG2 LYS 25 65.982 2.647 -7.176 188 HG3 LYS 25 HG1 LYS 25 64.620 3.643 -7.691 189 HD2 LYS 25 HD2 LYS 25 63.626 1.544 -7.677 190 HD3 LYS 25 HD1 LYS 25 64.184 1.626 -9.349 191 HE2 LYS 25 HE2 LYS 25 64.801 -0.530 -8.312 192 HE3 LYS 25 HE1 LYS 25 66.235 0.407 -8.732 193 HZ1 LYS 25 HZ1 LYS 25 66.664 0.905 -6.550 194 HZ2 LYS 25 HZ2 LYS 25 66.025 -0.661 -6.395 195 HZ3 LYS 25 HZ3 LYS 25 65.056 0.692 -6.055 196 H GLY 26 HN GLY 26 63.566 6.017 -10.645 197 HA2 GLY 26 HA2 GLY 26 63.597 8.327 -10.107 198 HA3 GLY 26 HA1 GLY 26 65.132 8.080 -9.272 199 HA PRO 27 HA PRO 27 65.817 10.089 -13.482 200 HB2 PRO 27 HB2 PRO 27 66.957 12.407 -12.551 201 HB3 PRO 27 HB1 PRO 27 65.216 12.218 -12.837 202 HG2 PRO 27 HG2 PRO 27 66.736 12.103 -10.284 203 HG3 PRO 27 HG1 PRO 27 65.140 12.796 -10.621 204 HD2 PRO 27 HD2 PRO 27 65.492 10.356 -9.412 205 HD3 PRO 27 HD1 PRO 27 64.061 10.766 -10.383 206 HA PRO 28 HA PRO 28 70.022 8.882 -14.062 207 HB2 PRO 28 HB2 PRO 28 70.598 11.773 -14.641 208 HB3 PRO 28 HB1 PRO 28 71.085 10.327 -15.547 209 HG2 PRO 28 HG2 PRO 28 69.041 11.877 -16.323 210 HG3 PRO 28 HG1 PRO 28 69.055 10.126 -16.581 211 HD2 PRO 28 HD2 PRO 28 67.391 11.714 -14.733 212 HD3 PRO 28 HD1 PRO 28 67.143 10.059 -15.329 213 H LYS 29 HN LYS 29 71.946 8.790 -12.844 214 HA LYS 29 HA LYS 29 72.813 10.890 -11.073 215 HB2 LYS 29 HB2 LYS 29 72.381 9.452 -8.955 216 HB3 LYS 29 HB1 LYS 29 71.027 10.369 -9.617 217 HG2 LYS 29 HG2 LYS 29 70.175 8.403 -10.754 218 HG3 LYS 29 HG1 LYS 29 71.597 7.469 -10.289 219 HD2 LYS 29 HD2 LYS 29 70.927 7.287 -8.075 220 HD3 LYS 29 HD1 LYS 29 69.975 8.771 -8.134 221 HE2 LYS 29 HE2 LYS 29 69.169 6.404 -9.806 222 HE3 LYS 29 HE1 LYS 29 68.730 6.469 -8.099 223 HZ1 LYS 29 HZ1 LYS 29 67.189 7.499 -9.922 224 HZ2 LYS 29 HZ2 LYS 29 68.235 8.829 -9.764 225 HZ3 LYS 29 HZ3 LYS 29 67.375 8.256 -8.415 226 H1U RCY 30 H1U RCY 30 78.167 5.826 -7.540 227 H1S RCY 30 H1S RCY 30 75.781 5.331 -11.463 228 HB1 RCY 30 HB1 RCY 30 75.187 7.210 -14.388 229 HB2 RCY 30 HB2 RCY 30 74.323 6.023 -13.410 230 HA RCY 30 HA RCY 30 75.400 6.951 -11.372 231 HN1 RCY 30 HN1 RCY 30 73.559 8.542 -12.996 232 H LYS 31 HN LYS 31 75.514 10.086 -12.148 233 HA LYS 31 HA LYS 31 78.177 10.316 -13.268 234 HB2 LYS 31 HB2 LYS 31 75.992 12.047 -12.771 235 HB3 LYS 31 HB1 LYS 31 77.323 12.675 -11.801 236 HG2 LYS 31 HG2 LYS 31 77.515 11.989 -14.750 237 HG3 LYS 31 HG1 LYS 31 77.302 13.619 -14.110 238 HD2 LYS 31 HD2 LYS 31 79.519 12.146 -12.862 239 HD3 LYS 31 HD1 LYS 31 79.738 12.424 -14.590 240 HE2 LYS 31 HE2 LYS 31 80.628 14.280 -13.133 241 HE3 LYS 31 HE1 LYS 31 79.428 14.805 -14.315 242 HZ1 LYS 31 HZ1 LYS 31 77.808 15.021 -12.704 243 HZ2 LYS 31 HZ2 LYS 31 79.194 15.569 -11.889 244 HZ3 LYS 31 HZ3 LYS 31 78.601 14.003 -11.603 245 H GLN 32 HN GLN 32 80.012 9.928 -12.127 246 HA GLN 32 HA GLN 32 80.306 10.921 -9.394 247 HB2 GLN 32 HB2 GLN 32 79.101 8.680 -9.187 248 HB3 GLN 32 HB1 GLN 32 80.572 7.937 -9.818 249 HG2 GLN 32 HG2 GLN 32 81.877 8.839 -7.973 250 HG3 GLN 32 HG1 GLN 32 80.478 9.731 -7.376 251 HE21 GLN 32 HE21 GLN 32 80.936 8.371 -5.337 252 HE22 GLN 32 HE22 GLN 32 80.251 6.820 -5.260 253 H ARG 33 HN ARG 33 82.525 10.877 -8.715 254 HA ARG 33 HA ARG 33 84.417 10.808 -10.955 255 HE ARG 33 HE ARG 33 84.865 9.454 -5.790 256 HB2 ARG 33 HB2 ARG 33 86.043 11.613 -9.254 257 HB3 ARG 33 HB1 ARG 33 84.582 12.596 -9.288 258 HG2 ARG 33 HG2 ARG 33 84.392 12.214 -7.070 259 HG3 ARG 33 HG1 ARG 33 83.999 10.542 -7.474 260 HD2 ARG 33 HD2 ARG 33 86.669 10.380 -7.666 261 HD3 ARG 33 HD1 ARG 33 86.569 11.706 -6.507 262 HH11 ARG 33 HH21 ARG 33 88.029 10.821 -5.727 263 HH12 ARG 33 HH22 ARG 33 88.521 9.951 -4.313 264 HH21 ARG 33 HH11 ARG 33 85.489 8.310 -3.944 265 HH22 ARG 33 HH12 ARG 33 87.083 8.529 -3.303 266 H GLN 34 HN GLN 34 83.171 8.271 -9.980 267 HA GLN 34 HA GLN 34 85.124 6.768 -8.495 268 HB2 GLN 34 HB2 GLN 34 83.863 4.791 -9.254 269 HB3 GLN 34 HB1 GLN 34 82.764 6.058 -8.707 270 HG2 GLN 34 HG2 GLN 34 82.569 6.805 -11.113 271 HG3 GLN 34 HG1 GLN 34 83.470 5.359 -11.568 272 HE21 GLN 34 HE21 GLN 34 82.442 3.236 -11.093 273 HE22 GLN 34 HE22 GLN 34 80.760 3.133 -10.896 274 H THR 35 HN THR 35 86.329 8.253 -10.702 275 HA THR 35 HA THR 35 87.059 6.189 -12.686 276 HB THR 35 HB THR 35 88.190 8.986 -12.422 277 HG1 THR 35 HG1 THR 35 86.522 9.283 -14.168 278 HG21 THR 35 HG21 THR 35 89.417 7.469 -13.905 279 HG22 THR 35 HG22 THR 35 88.567 8.688 -14.855 280 HG23 THR 35 HG23 THR 35 87.921 7.051 -14.740 281 H ARG 36 HN ARG 36 88.235 7.501 -9.715 282 HA ARG 36 HA ARG 36 90.999 6.569 -10.199 283 HE ARG 36 HE ARG 36 89.134 11.634 -7.404 284 HB2 ARG 36 HB2 ARG 36 90.009 7.509 -7.523 285 HB3 ARG 36 HB1 ARG 36 91.590 7.739 -8.272 286 HG2 ARG 36 HG2 ARG 36 90.477 9.231 -9.974 287 HG3 ARG 36 HG1 ARG 36 88.999 9.120 -9.018 288 HD2 ARG 36 HD2 ARG 36 90.595 9.830 -7.036 289 HD3 ARG 36 HD1 ARG 36 91.595 10.462 -8.344 290 HH11 ARG 36 HH21 ARG 36 91.030 10.940 -10.198 291 HH12 ARG 36 HH22 ARG 36 90.414 12.276 -11.112 292 HH21 ARG 36 HH11 ARG 36 88.319 13.384 -8.581 293 HH22 ARG 36 HH12 ARG 36 88.879 13.660 -10.196 294 H GLN 37 HN GLN 37 88.096 5.205 -9.207 295 HA GLN 37 HA GLN 37 87.572 3.205 -8.091 296 HB2 GLN 37 HB2 GLN 37 90.457 2.478 -8.662 297 HB3 GLN 37 HB1 GLN 37 89.091 1.379 -8.464 298 HG2 GLN 37 HG2 GLN 37 88.032 2.464 -10.483 299 HG3 GLN 37 HG1 GLN 37 89.543 3.342 -10.727 300 HE21 GLN 37 HE21 GLN 37 88.104 0.082 -10.722 301 HE22 GLN 37 HE22 GLN 37 89.371 -0.659 -11.575 302 H1U RCY 38 H1U RCY 38 84.727 5.041 1.155 303 H1S RCY 38 H1S RCY 38 87.077 5.676 -2.641 304 HB1 RCY 38 HB1 RCY 38 88.852 4.708 -2.828 305 HB2 RCY 38 HB2 RCY 38 89.074 3.171 -3.663 306 HA RCY 38 HA RCY 38 89.883 5.928 -4.508 307 HN1 RCY 38 HN1 RCY 38 89.146 5.514 -6.695 308 H LYS 39 HN LYS 39 92.098 5.977 -4.539 309 HA LYS 39 HA LYS 39 93.583 3.394 -4.681 310 HB2 LYS 39 HB2 LYS 39 95.577 4.948 -4.985 311 HB3 LYS 39 HB1 LYS 39 94.385 4.984 -6.285 312 HG2 LYS 39 HG2 LYS 39 93.524 7.058 -5.615 313 HG3 LYS 39 HG1 LYS 39 94.154 6.898 -3.975 314 HD2 LYS 39 HD2 LYS 39 96.448 7.156 -4.806 315 HD3 LYS 39 HD1 LYS 39 95.850 7.264 -6.463 316 HE2 LYS 39 HE2 LYS 39 94.987 9.167 -4.272 317 HE3 LYS 39 HE1 LYS 39 96.340 9.495 -5.354 318 HZ1 LYS 39 HZ1 LYS 39 94.428 8.788 -7.085 319 HZ2 LYS 39 HZ2 LYS 39 94.758 10.393 -6.637 320 HZ3 LYS 39 HZ3 LYS 39 93.496 9.541 -5.884 321 H SER 40 HN SER 40 92.210 4.093 -2.250 322 HA SER 40 HA SER 40 94.563 4.239 -0.436 323 HG SER 40 HG SER 40 93.358 5.186 1.841 324 HB2 SER 40 HB2 SER 40 93.505 6.529 -0.646 325 HB3 SER 40 HB1 SER 40 92.035 5.842 0.039 326 H LYS 41 HN LYS 41 92.155 4.597 1.611 327 HA LYS 41 HA LYS 41 91.188 1.779 1.533 328 HB2 LYS 41 HB2 LYS 41 91.595 1.826 4.109 329 HB3 LYS 41 HB1 LYS 41 92.972 1.525 3.050 330 HG2 LYS 41 HG2 LYS 41 92.391 4.377 3.632 331 HG3 LYS 41 HG1 LYS 41 92.987 3.421 4.989 332 HD2 LYS 41 HD2 LYS 41 94.922 2.704 3.666 333 HD3 LYS 41 HD1 LYS 41 94.318 3.595 2.269 334 HE2 LYS 41 HE2 LYS 41 95.993 4.964 3.358 335 HE3 LYS 41 HE1 LYS 41 94.415 5.693 3.656 336 HZ1 LYS 41 HZ1 LYS 41 96.172 4.242 5.504 337 HZ2 LYS 41 HZ2 LYS 41 94.493 4.180 5.755 338 HZ3 LYS 41 HZ3 LYS 41 95.299 5.675 5.749 339 HA PRO 42 HA PRO 42 87.328 3.647 2.597 340 HB2 PRO 42 HB2 PRO 42 86.192 1.630 4.110 341 HB3 PRO 42 HB1 PRO 42 86.278 1.618 2.339 342 HG2 PRO 42 HG2 PRO 42 87.997 0.225 4.323 343 HG3 PRO 42 HG1 PRO 42 87.407 -0.331 2.748 344 HD2 PRO 42 HD2 PRO 42 89.960 0.560 3.127 345 HD3 PRO 42 HD1 PRO 42 89.100 0.745 1.582 346 HA PRO 43 HA PRO 43 87.623 5.434 6.634 347 HB2 PRO 43 HB2 PRO 43 84.997 5.898 7.261 348 HB3 PRO 43 HB1 PRO 43 85.887 6.839 6.048 349 HG2 PRO 43 HG2 PRO 43 83.960 4.604 5.660 350 HG3 PRO 43 HG1 PRO 43 84.158 6.100 4.732 351 HD2 PRO 43 HD2 PRO 43 85.139 3.685 3.887 352 HD3 PRO 43 HD1 PRO 43 85.886 5.239 3.454 353 H LYS 44 HN LYS 44 88.114 4.390 8.513 354 HA LYS 44 HA LYS 44 86.464 2.041 9.324 355 HB2 LYS 44 HB2 LYS 44 89.191 2.947 10.299 356 HB3 LYS 44 HB1 LYS 44 88.374 1.457 10.765 357 HG2 LYS 44 HG2 LYS 44 88.850 2.057 7.856 358 HG3 LYS 44 HG1 LYS 44 90.148 1.380 8.839 359 HD2 LYS 44 HD2 LYS 44 88.575 -0.452 9.538 360 HD3 LYS 44 HD1 LYS 44 87.404 0.180 8.380 361 HE2 LYS 44 HE2 LYS 44 88.768 -1.693 7.445 362 HE3 LYS 44 HE1 LYS 44 88.958 -0.192 6.539 363 HZ1 LYS 44 HZ1 LYS 44 91.057 -1.446 7.137 364 HZ2 LYS 44 HZ2 LYS 44 90.790 -0.939 8.737 365 HZ3 LYS 44 HZ3 LYS 44 91.031 0.209 7.508 366 H LYS 45 HN LYS 45 86.907 5.319 10.030 367 HA LYS 45 HA LYS 45 86.706 5.452 12.840 368 HB2 LYS 45 HB2 LYS 45 85.406 7.617 12.371 369 HB3 LYS 45 HB1 LYS 45 87.018 7.500 11.663 370 HG2 LYS 45 HG2 LYS 45 86.116 6.918 9.509 371 HG3 LYS 45 HG1 LYS 45 84.494 6.731 10.177 372 HD2 LYS 45 HD2 LYS 45 84.502 9.148 10.786 373 HD3 LYS 45 HD1 LYS 45 86.076 9.313 10.007 374 HE2 LYS 45 HE2 LYS 45 83.656 8.225 8.555 375 HE3 LYS 45 HE1 LYS 45 84.055 9.943 8.575 376 HZ1 LYS 45 HZ1 LYS 45 86.222 8.124 7.906 377 HZ2 LYS 45 HZ2 LYS 45 85.834 9.643 7.252 378 HZ3 LYS 45 HZ3 LYS 45 84.984 8.258 6.754 379 H GLY 46 HN GLY 46 84.243 4.729 10.424 380 HA2 GLY 46 HA2 GLY 46 82.001 4.073 10.670 381 HA3 GLY 46 HA1 GLY 46 82.555 3.303 12.157 382 H VAL 47 HN VAL 47 82.070 6.689 11.078 383 HA VAL 47 HA VAL 47 81.283 7.543 13.727 384 HB VAL 47 HB VAL 47 82.277 9.146 12.202 385 HG11 VAL 47 HG11 VAL 47 79.901 8.518 10.424 386 HG12 VAL 47 HG12 VAL 47 81.589 8.134 10.088 387 HG13 VAL 47 HG13 VAL 47 81.059 9.815 10.129 388 HG21 VAL 47 HG21 VAL 47 79.350 9.885 12.347 389 HG22 VAL 47 HG22 VAL 47 80.752 10.946 12.489 390 HG23 VAL 47 HG23 VAL 47 80.360 9.822 13.791 391 H GLN 48 HN GLN 48 79.663 5.843 11.287 392 HA GLN 48 HA GLN 48 77.411 5.253 11.007 393 HB2 GLN 48 HB2 GLN 48 76.953 6.334 13.791 394 HB3 GLN 48 HB1 GLN 48 76.130 4.997 12.986 395 HG2 GLN 48 HG2 GLN 48 78.395 3.818 12.924 396 HG3 GLN 48 HG1 GLN 48 78.966 5.065 14.034 397 HE21 GLN 48 HE21 GLN 48 76.109 5.158 15.222 398 HE22 GLN 48 HE22 GLN 48 76.057 3.810 16.252 399 H GLY 49 HN GLY 49 76.371 6.558 9.570 400 HA2 GLY 49 HA2 GLY 49 74.686 8.214 9.096 401 HA3 GLY 49 HA1 GLY 49 75.098 9.029 10.607 402 H1U RCY 50 H1U RCY 50 73.984 6.293 3.466 403 H1S RCY 50 H1S RCY 50 77.807 5.548 6.361 404 HB1 RCY 50 HB1 RCY 50 79.364 9.611 5.545 405 HB2 RCY 50 HB2 RCY 50 77.750 8.987 5.204 406 HA RCY 50 HA RCY 50 78.778 10.186 7.783 407 HN1 RCY 50 HN1 RCY 50 76.894 8.066 7.656 408 H GLY 51 HN GLY 51 76.052 9.988 5.461 409 HA2 GLY 51 HA2 GLY 51 74.787 11.706 4.484 410 HA3 GLY 51 HA1 GLY 51 74.923 12.516 6.045 411 H ASP 52 HN ASP 52 77.418 11.675 3.630 412 HA ASP 52 HA ASP 52 78.624 14.320 3.929 413 HB2 ASP 52 HB2 ASP 52 79.247 12.097 1.959 414 HB3 ASP 52 HB1 ASP 52 80.258 13.507 2.279 415 H ASP 53 HN ASP 53 77.297 12.556 1.102 416 HA ASP 53 HA ASP 53 76.022 15.050 0.169 417 HB2 ASP 53 HB2 ASP 53 78.308 15.174 -0.771 418 HB3 ASP 53 HB1 ASP 53 78.089 13.583 -1.500 419 H ILE 54 HN ILE 54 74.266 13.443 0.792 420 HA ILE 54 HA ILE 54 73.714 11.001 -0.392 421 HB ILE 54 HB ILE 54 71.871 13.311 0.241 422 HG12 ILE 54 HG12 ILE 54 72.170 10.623 1.600 423 HG13 ILE 54 HG11 ILE 54 73.156 12.017 2.045 424 HG21 ILE 54 HG21 ILE 54 71.250 10.542 -0.799 425 HG22 ILE 54 HG22 ILE 54 70.653 12.091 -1.395 426 HG23 ILE 54 HG23 ILE 54 70.082 11.462 0.151 427 HD11 ILE 54 HD11 ILE 54 70.129 12.077 1.983 428 HD12 ILE 54 HD12 ILE 54 71.210 13.296 2.658 429 HD13 ILE 54 HD13 ILE 54 71.060 11.720 3.437 430 HA PRO 55 HA PRO 55 73.551 12.546 -4.676 431 HB2 PRO 55 HB2 PRO 55 74.515 10.353 -5.888 432 HB3 PRO 55 HB1 PRO 55 75.575 11.417 -4.942 433 HG2 PRO 55 HG2 PRO 55 74.421 8.780 -4.210 434 HG3 PRO 55 HG1 PRO 55 76.008 9.466 -3.828 435 HD2 PRO 55 HD2 PRO 55 73.779 9.430 -2.107 436 HD3 PRO 55 HD1 PRO 55 75.236 10.427 -1.900 437 H GLY 56 HN GLY 56 71.191 11.362 -3.264 438 HA2 GLY 56 HA2 GLY 56 69.765 10.452 -5.666 439 HA3 GLY 56 HA1 GLY 56 69.882 9.245 -4.386 440 H MET 57 HN MET 57 69.651 10.942 -2.143 441 HA MET 57 HA MET 57 67.968 11.848 -0.785 442 HB2 MET 57 HB2 MET 57 67.215 13.201 -3.396 443 HB3 MET 57 HB1 MET 57 66.638 13.674 -1.799 444 HG2 MET 57 HG2 MET 57 68.462 15.125 -2.194 445 HG3 MET 57 HG1 MET 57 69.139 13.862 -1.165 446 HE1 MET 57 HE1 MET 57 68.442 15.095 -4.655 447 HE2 MET 57 HE2 MET 57 69.960 14.846 -5.515 448 HE3 MET 57 HE3 MET 57 69.899 15.961 -4.152 449 H GLU 58 HN GLU 58 67.463 9.389 -2.597 450 HA GLU 58 HA GLU 58 64.568 9.483 -3.020 451 HB2 GLU 58 HB2 GLU 58 64.786 7.229 -3.838 452 HB3 GLU 58 HB1 GLU 58 66.163 8.141 -4.454 453 HG2 GLU 58 HG2 GLU 58 66.184 6.346 -2.006 454 HG3 GLU 58 HG1 GLU 58 66.898 5.959 -3.572 455 H GLY 59 HN GLY 59 66.727 8.569 -0.458 456 HA2 GLY 59 HA2 GLY 59 64.917 8.486 1.603 457 HA3 GLY 59 HA1 GLY 59 64.777 6.870 0.910 458 H1U RCY 60 H1U RCY 60 75.214 4.796 -2.144 459 H1S RCY 60 H1S RCY 60 72.297 8.142 -0.209 460 HB1 RCY 60 HB1 RCY 60 70.002 7.751 0.172 461 HB2 RCY 60 HB2 RCY 60 70.473 6.063 0.356 462 HA RCY 60 HA RCY 60 68.981 5.692 2.057 463 HN1 RCY 60 HN1 RCY 60 67.807 7.359 0.160 464 H GLY 61 HN GLY 61 69.371 5.912 4.202 465 HA2 GLY 61 HA2 GLY 61 70.581 7.879 5.631 466 HA3 GLY 61 HA1 GLY 61 68.946 8.525 5.482 467 H THR 62 HN THR 62 68.240 5.430 5.416 468 HA THR 62 HA THR 62 68.636 4.770 8.264 469 HB THR 62 HB THR 62 66.146 4.455 8.577 470 HG1 THR 62 HG1 THR 62 65.433 6.280 6.756 471 HG21 THR 62 HG21 THR 62 67.488 6.460 9.379 472 HG22 THR 62 HG22 THR 62 65.761 6.744 9.167 473 HG23 THR 62 HG23 THR 62 66.904 7.316 7.952 474 H ASP 63 HN ASP 63 67.157 3.936 5.146 475 HA ASP 63 HA ASP 63 66.504 1.250 5.599 476 HB2 ASP 63 HB2 ASP 63 66.919 0.899 3.184 477 HB3 ASP 63 HB1 ASP 63 66.047 2.405 3.471 478 H ILE 64 HN ILE 64 69.549 2.685 5.906 479 HA ILE 64 HA ILE 64 71.102 0.294 5.182 480 HB ILE 64 HB ILE 64 72.030 2.750 6.694 481 HG12 ILE 64 HG12 ILE 64 72.060 2.232 3.703 482 HG13 ILE 64 HG11 ILE 64 70.951 3.337 4.518 483 HG21 ILE 64 HG21 ILE 64 73.511 0.744 4.965 484 HG22 ILE 64 HG22 ILE 64 73.517 0.753 6.729 485 HG23 ILE 64 HG23 ILE 64 74.230 2.098 5.838 486 HD11 ILE 64 HD11 ILE 64 73.945 3.562 4.227 487 HD12 ILE 64 HD12 ILE 64 73.080 4.445 5.485 488 HD13 ILE 64 HD13 ILE 64 72.707 4.739 3.787 489 H THR 65 HN THR 65 71.000 2.193 8.190 490 HA THR 65 HA THR 65 70.789 1.489 10.420 491 HB THR 65 HB THR 65 70.519 -1.384 9.593 492 HG1 THR 65 HG1 THR 65 69.205 -0.279 8.141 493 HG21 THR 65 HG21 THR 65 68.991 -1.442 11.474 494 HG22 THR 65 HG22 THR 65 69.022 0.316 11.605 495 HG23 THR 65 HG23 THR 65 70.466 -0.622 11.984 496 H VAL 66 HN VAL 66 73.207 2.028 9.790 497 HA VAL 66 HA VAL 66 75.461 1.575 10.227 498 HB VAL 66 HB VAL 66 74.507 -0.905 11.671 499 HG11 VAL 66 HG11 VAL 66 76.475 -0.405 13.093 500 HG12 VAL 66 HG12 VAL 66 76.839 0.993 12.081 501 HG13 VAL 66 HG13 VAL 66 76.937 -0.634 11.407 502 HG21 VAL 66 HG21 VAL 66 74.550 1.973 12.632 503 HG22 VAL 66 HG22 VAL 66 74.311 0.574 13.678 504 HG23 VAL 66 HG23 VAL 66 73.121 0.958 12.434 505 H ILE 67 HN ILE 67 74.044 -1.692 9.933 506 HA ILE 67 HA ILE 67 75.649 -2.063 7.453 507 HB ILE 67 HB ILE 67 76.740 -3.052 9.593 508 HG12 ILE 67 HG12 ILE 67 76.148 -5.078 7.431 509 HG13 ILE 67 HG11 ILE 67 77.156 -3.664 7.117 510 HG21 ILE 67 HG21 ILE 67 75.819 -4.997 10.532 511 HG22 ILE 67 HG22 ILE 67 74.783 -5.294 9.136 512 HG23 ILE 67 HG23 ILE 67 74.395 -3.992 10.260 513 HD11 ILE 67 HD11 ILE 67 78.703 -5.338 7.748 514 HD12 ILE 67 HD12 ILE 67 77.660 -5.935 9.039 515 HD13 ILE 67 HD13 ILE 67 78.483 -4.384 9.216 516 H1U RCY 68 H1U RCY 68 76.597 -3.549 1.438 517 H1S RCY 68 H1S RCY 68 72.936 -4.964 2.437 518 HB1 RCY 68 HB1 RCY 68 72.864 -2.414 4.165 519 HB2 RCY 68 HB2 RCY 68 71.268 -1.949 4.748 520 HA RCY 68 HA RCY 68 71.411 -3.283 6.613 521 HN1 RCY 68 HN1 RCY 68 73.997 -2.209 6.010 522 HA PRO 69 HA PRO 69 71.750 -7.677 6.694 523 HB2 PRO 69 HB2 PRO 69 69.826 -7.545 4.391 524 HB3 PRO 69 HB1 PRO 69 69.774 -8.565 5.843 525 HG2 PRO 69 HG2 PRO 69 68.292 -6.335 5.586 526 HG3 PRO 69 HG1 PRO 69 68.908 -6.902 7.145 527 HD2 PRO 69 HD2 PRO 69 69.697 -4.523 5.610 528 HD3 PRO 69 HD1 PRO 69 70.036 -4.925 7.307 529 H TRP 70 HN TRP 70 71.633 -6.303 3.384 530 HA TRP 70 HA TRP 70 73.067 -8.493 2.189 531 HD1 TRP 70 HD1 TRP 70 73.242 -8.832 -0.721 532 HE1 TRP 70 HE1 TRP 70 71.129 -9.883 -1.756 533 HE3 TRP 70 HE3 TRP 70 69.651 -5.961 1.500 534 HZ2 TRP 70 HZ2 TRP 70 68.286 -9.550 -1.656 535 HZ3 TRP 70 HZ3 TRP 70 67.254 -6.347 1.014 536 HH2 TRP 70 HH2 TRP 70 66.566 -8.134 -0.558 537 HB2 TRP 70 HB2 TRP 70 72.183 -5.779 1.367 538 HB3 TRP 70 HB1 TRP 70 73.577 -6.417 0.496 539 H GLU 71 HN GLU 71 74.207 -6.818 4.605 540 HA GLU 71 HA GLU 71 76.991 -6.913 3.585 541 HB2 GLU 71 HB2 GLU 71 76.052 -4.525 5.178 542 HB3 GLU 71 HB1 GLU 71 77.540 -4.706 4.248 543 HG2 GLU 71 HG2 GLU 71 76.168 -4.841 2.163 544 HG3 GLU 71 HG1 GLU 71 74.729 -4.516 3.129 545 H ALA 72 HN ALA 72 74.904 -8.035 5.730 546 HA ALA 72 HA ALA 72 76.181 -7.558 8.270 547 HB1 ALA 72 HB1 ALA 72 74.809 -9.402 9.085 548 HB2 ALA 72 HB2 ALA 72 74.479 -9.923 7.432 549 HB3 ALA 72 HB3 ALA 72 73.839 -8.387 8.017 550 H1U RCY 73 H1U RCY 73 75.728 -5.217 5.390 551 H1S RCY 73 H1S RCY 73 79.688 -5.965 5.173 552 HB1 RCY 73 HB1 RCY 73 79.773 -9.632 4.652 553 HB2 RCY 73 HB2 RCY 73 81.126 -10.176 5.644 554 HA RCY 73 HA RCY 73 78.909 -11.023 6.453 555 HN1 RCY 73 HN1 RCY 73 78.103 -8.281 6.223 556 H ASN 74 HN ASN 74 80.077 -8.083 8.114 557 HA ASN 74 HA ASN 74 80.263 -9.015 10.699 558 HB2 ASN 74 HB2 ASN 74 82.342 -10.247 8.983 559 HB3 ASN 74 HB1 ASN 74 82.964 -9.517 10.460 560 HD21 ASN 74 HD21 ASN 74 79.666 -10.669 10.537 561 HD22 ASN 74 HD22 ASN 74 79.964 -12.066 11.455 562 H HIS 75 HN HIS 75 79.831 -6.612 10.338 563 HA HIS 75 HA HIS 75 80.537 -4.364 10.385 564 HD1 HIS 75 HD1 HIS 75 80.149 -2.866 12.106 565 HD2 HIS 75 HD2 HIS 75 84.290 -3.129 12.531 566 HE1 HIS 75 HE1 HIS 75 80.953 -0.547 12.733 567 HE2 HIS 75 HE2 HIS 75 83.472 -0.694 12.995 568 HB2 HIS 75 HB2 HIS 75 81.378 -5.444 12.580 569 HB3 HIS 75 HB1 HIS 75 82.969 -5.439 11.821 570 H1U RCY 76 H1U RCY 76 78.231 -1.333 3.707 571 H1S RCY 76 H1S RCY 76 80.454 -2.137 7.957 572 HB1 RCY 76 HB1 RCY 76 81.937 -3.674 5.851 573 HB2 RCY 76 HB2 RCY 76 83.677 -3.391 5.793 574 HA RCY 76 HA RCY 76 82.947 -5.788 6.300 575 HN1 RCY 76 HN1 RCY 76 81.297 -5.747 8.006 576 H GLU 77 HN GLU 77 84.523 -7.089 7.502 577 HA GLU 77 HA GLU 77 86.567 -5.821 9.116 578 HB2 GLU 77 HB2 GLU 77 86.014 -8.203 9.385 579 HB3 GLU 77 HB1 GLU 77 86.544 -8.521 7.733 580 HG2 GLU 77 HG2 GLU 77 88.817 -7.918 8.265 581 HG3 GLU 77 HG1 GLU 77 88.342 -7.327 9.858 582 H LEU 78 HN LEU 78 87.059 -7.611 6.060 583 HA LEU 78 HA LEU 78 88.788 -5.376 5.106 584 HG LEU 78 HG LEU 78 91.902 -6.996 5.480 585 HB2 LEU 78 HB2 LEU 78 89.694 -7.935 6.021 586 HB3 LEU 78 HB1 LEU 78 89.922 -7.887 4.276 587 HD11 LEU 78 HD11 LEU 78 90.598 -4.609 4.218 588 HD12 LEU 78 HD12 LEU 78 90.877 -6.045 3.233 589 HD13 LEU 78 HD13 LEU 78 92.236 -5.229 4.006 590 HD21 LEU 78 HD21 LEU 78 90.113 -5.966 7.247 591 HD22 LEU 78 HD22 LEU 78 90.447 -4.534 6.273 592 HD23 LEU 78 HD23 LEU 78 91.766 -5.373 7.089 593 H HIS 79 HN HIS 79 89.293 -5.699 2.702 594 HA HIS 79 HA HIS 79 86.798 -6.577 1.354 595 HD1 HIS 79 HD1 HIS 79 86.158 -6.988 -0.530 596 HD2 HIS 79 HD2 HIS 79 88.450 -4.032 -2.377 597 HE1 HIS 79 HE1 HIS 79 85.467 -6.965 -2.967 598 HE2 HIS 79 HE2 HIS 79 86.854 -5.170 -4.103 599 HB2 HIS 79 HB2 HIS 79 87.693 -4.330 0.831 600 HB3 HIS 79 HB1 HIS 79 89.197 -5.065 0.274 601 H GLU 80 HN GLU 80 88.091 -8.777 2.219 602 HA GLU 80 HA GLU 80 89.312 -9.880 -0.280 603 HB2 GLU 80 HB2 GLU 80 90.229 -10.303 2.579 604 HB3 GLU 80 HB1 GLU 80 90.783 -11.276 1.214 605 HG2 GLU 80 HG2 GLU 80 91.476 -9.093 0.098 606 HG3 GLU 80 HG1 GLU 80 91.184 -8.308 1.650 607 H LEU 81 HN LEU 81 87.801 -10.705 2.857 608 HA LEU 81 HA LEU 81 87.146 -13.388 2.189 609 HG LEU 81 HG LEU 81 84.562 -11.058 3.283 610 HB2 LEU 81 HB2 LEU 81 85.521 -13.287 4.001 611 HB3 LEU 81 HB1 LEU 81 86.981 -12.432 4.489 612 HD11 LEU 81 HD11 LEU 81 83.983 -12.075 5.455 613 HD12 LEU 81 HD12 LEU 81 84.067 -10.318 5.589 614 HD13 LEU 81 HD13 LEU 81 85.393 -11.314 6.190 615 HD21 LEU 81 HD21 LEU 81 86.353 -9.601 2.982 616 HD22 LEU 81 HD22 LEU 81 87.209 -10.196 4.405 617 HD23 LEU 81 HD23 LEU 81 85.817 -9.130 4.595 618 H ALA 82 HN ALA 82 86.168 -10.650 0.619 619 HA ALA 82 HA ALA 82 83.419 -10.863 0.167 620 HB1 ALA 82 HB1 ALA 82 84.977 -9.147 -0.841 621 HB2 ALA 82 HB2 ALA 82 83.796 -9.805 -1.974 622 HB3 ALA 82 HB3 ALA 82 85.467 -10.370 -2.013 623 H GLN 83 HN GLN 83 86.014 -12.901 -1.088 624 HA GLN 83 HA GLN 83 84.677 -14.292 -3.119 625 HB2 GLN 83 HB2 GLN 83 86.484 -15.565 -1.041 626 HB3 GLN 83 HB1 GLN 83 86.190 -16.138 -2.684 627 HG2 GLN 83 HG2 GLN 83 87.089 -13.881 -3.481 628 HG3 GLN 83 HG1 GLN 83 87.649 -13.633 -1.827 629 HE21 GLN 83 HE21 GLN 83 89.844 -14.125 -1.736 630 HE22 GLN 83 HE22 GLN 83 90.577 -15.454 -2.496 631 H TYR 84 HN TYR 84 84.199 -14.427 0.341 632 HA TYR 84 HA TYR 84 82.596 -16.869 0.264 633 HD1 TYR 84 HD2 TYR 84 82.977 -18.449 2.514 634 HD2 TYR 84 HD1 TYR 84 80.507 -15.017 3.269 635 HE1 TYR 84 HE2 TYR 84 81.342 -19.887 3.702 636 HE2 TYR 84 HE1 TYR 84 78.872 -16.454 4.457 637 HH TYR 84 HH TYR 84 78.781 -18.584 5.589 638 HB2 TYR 84 HB2 TYR 84 83.845 -16.106 2.304 639 HB3 TYR 84 HB1 TYR 84 82.733 -14.744 2.425 640 H GLY 85 HN GLY 85 81.971 -13.372 0.382 641 HA2 GLY 85 HA2 GLY 85 79.088 -13.669 0.497 642 HA3 GLY 85 HA1 GLY 85 79.956 -12.180 0.119 643 H ILE 86 HN ILE 86 80.092 -15.330 -1.525 644 HA ILE 86 HA ILE 86 80.268 -14.463 -4.135 645 HB ILE 86 HB ILE 86 80.107 -16.885 -3.136 646 HG12 ILE 86 HG12 ILE 86 80.671 -16.433 -5.469 647 HG13 ILE 86 HG11 ILE 86 79.508 -17.758 -5.405 648 HG21 ILE 86 HG21 ILE 86 77.980 -17.953 -3.306 649 HG22 ILE 86 HG22 ILE 86 77.275 -16.575 -4.152 650 HG23 ILE 86 HG23 ILE 86 77.682 -16.445 -2.441 651 HD11 ILE 86 HD11 ILE 86 77.708 -15.907 -5.665 652 HD12 ILE 86 HD12 ILE 86 78.643 -16.356 -7.091 653 HD13 ILE 86 HD13 ILE 86 79.044 -14.887 -6.200 654 H1U RCY 87 H1U RCY 87 77.051 -8.718 -1.195 655 H1S RCY 87 H1S RCY 87 77.553 -9.657 -5.074 656 HB1 RCY 87 HB1 RCY 87 77.322 -12.175 -7.374 657 HB2 RCY 87 HB2 RCY 87 78.231 -11.158 -6.257 658 HA RCY 87 HA RCY 87 76.556 -12.034 -4.463 659 HN1 RCY 87 HN1 RCY 87 79.045 -13.097 -5.321 Start of MODEL 17 1 HA MET 1 HA MET 1 49.191 6.475 -2.688 2 HB2 MET 1 HB2 MET 1 48.988 5.100 0.008 3 HB3 MET 1 HB1 MET 1 50.086 6.435 -0.344 4 HG2 MET 1 HG2 MET 1 48.127 7.409 0.643 5 HG3 MET 1 HG1 MET 1 48.050 7.766 -1.083 6 HE1 MET 1 HE1 MET 1 45.441 5.008 1.433 7 HE2 MET 1 HE2 MET 1 46.213 6.518 1.911 8 HE3 MET 1 HE3 MET 1 47.202 5.100 1.569 9 H ASN 2 HN ASN 2 50.762 4.487 -0.433 10 HA ASN 2 HA ASN 2 52.835 3.808 -2.363 11 HB2 ASN 2 HB2 ASN 2 52.417 3.186 0.567 12 HB3 ASN 2 HB1 ASN 2 53.782 2.538 -0.343 13 HD21 ASN 2 HD21 ASN 2 52.240 5.785 -0.552 14 HD22 ASN 2 HD22 ASN 2 53.656 6.646 -0.187 15 H LEU 3 HN LEU 3 50.851 2.628 -3.563 16 HA LEU 3 HA LEU 3 50.123 0.012 -2.600 17 HG LEU 3 HG LEU 3 48.010 -0.493 -5.467 18 HB2 LEU 3 HB2 LEU 3 49.084 1.564 -4.503 19 HB3 LEU 3 HB1 LEU 3 50.163 0.634 -5.537 20 HD11 LEU 3 HD11 LEU 3 48.725 -2.674 -4.765 21 HD12 LEU 3 HD12 LEU 3 49.870 -1.994 -3.609 22 HD13 LEU 3 HD13 LEU 3 50.167 -1.837 -5.340 23 HD21 LEU 3 HD21 LEU 3 48.179 -1.068 -2.557 24 HD22 LEU 3 HD22 LEU 3 46.761 -0.785 -3.566 25 HD23 LEU 3 HD23 LEU 3 47.722 0.578 -2.994 26 H GLU 4 HN GLU 4 52.401 -0.604 -1.985 27 HA GLU 4 HA GLU 4 53.940 -1.632 -4.336 28 HB2 GLU 4 HB2 GLU 4 54.986 -1.180 -1.534 29 HB3 GLU 4 HB1 GLU 4 55.926 -1.483 -2.995 30 HG2 GLU 4 HG2 GLU 4 54.221 0.963 -2.442 31 HG3 GLU 4 HG1 GLU 4 55.984 0.905 -2.464 32 HA PRO 5 HA PRO 5 52.520 -5.733 -3.169 33 HB2 PRO 5 HB2 PRO 5 55.293 -6.393 -4.106 34 HB3 PRO 5 HB1 PRO 5 53.756 -7.192 -4.492 35 HG2 PRO 5 HG2 PRO 5 54.931 -5.513 -6.202 36 HG3 PRO 5 HG1 PRO 5 53.169 -5.604 -6.046 37 HD2 PRO 5 HD2 PRO 5 55.014 -3.451 -5.171 38 HD3 PRO 5 HD1 PRO 5 53.278 -3.367 -5.542 39 HA PRO 6 HA PRO 6 54.885 -5.645 0.746 40 HB2 PRO 6 HB2 PRO 6 52.897 -6.541 2.358 41 HB3 PRO 6 HB1 PRO 6 52.959 -4.867 1.774 42 HG2 PRO 6 HG2 PRO 6 51.279 -7.129 0.840 43 HG3 PRO 6 HG1 PRO 6 50.887 -5.408 0.971 44 HD2 PRO 6 HD2 PRO 6 51.592 -6.710 -1.397 45 HD3 PRO 6 HD1 PRO 6 51.668 -4.954 -1.136 46 H LYS 7 HN LYS 7 55.826 -7.327 2.024 47 HA LYS 7 HA LYS 7 55.036 -10.126 1.341 48 HB2 LYS 7 HB2 LYS 7 57.428 -10.729 1.140 49 HB3 LYS 7 HB1 LYS 7 56.965 -9.533 -0.071 50 HG2 LYS 7 HG2 LYS 7 57.712 -7.891 1.963 51 HG3 LYS 7 HG1 LYS 7 58.788 -9.259 2.252 52 HD2 LYS 7 HD2 LYS 7 59.501 -9.162 -0.133 53 HD3 LYS 7 HD1 LYS 7 58.492 -7.732 -0.351 54 HE2 LYS 7 HE2 LYS 7 61.040 -8.037 1.192 55 HE3 LYS 7 HE1 LYS 7 60.525 -6.727 0.131 56 HZ1 LYS 7 HZ1 LYS 7 58.852 -6.133 1.824 57 HZ2 LYS 7 HZ2 LYS 7 60.448 -5.978 2.385 58 HZ3 LYS 7 HZ3 LYS 7 59.505 -7.311 2.856 59 H ALA 8 HN ALA 8 54.049 -9.598 3.588 60 HA ALA 8 HA ALA 8 54.122 -9.831 5.927 61 HB1 ALA 8 HB1 ALA 8 56.427 -11.651 5.164 62 HB2 ALA 8 HB2 ALA 8 54.731 -12.125 5.261 63 HB3 ALA 8 HB3 ALA 8 55.600 -11.651 6.721 64 H GLU 9 HN GLU 9 56.057 -7.881 4.444 65 HA GLU 9 HA GLU 9 58.458 -7.602 5.897 66 HB2 GLU 9 HB2 GLU 9 58.384 -5.225 5.240 67 HB3 GLU 9 HB1 GLU 9 57.915 -6.262 3.893 68 HG2 GLU 9 HG2 GLU 9 56.242 -4.623 3.855 69 HG3 GLU 9 HG1 GLU 9 55.484 -5.905 4.801 70 H1U RCY 10 H1U RCY 10 53.758 -8.649 5.388 71 H1S RCY 10 H1S RCY 10 54.675 -7.443 9.166 72 HB1 RCY 10 HB1 RCY 10 58.039 -5.735 11.165 73 HB2 RCY 10 HB2 RCY 10 58.843 -6.708 9.934 74 HA RCY 10 HA RCY 10 56.477 -4.999 9.197 75 HN1 RCY 10 HN1 RCY 10 58.695 -5.422 7.344 76 H ARG 11 HN ARG 11 57.022 -3.305 10.784 77 HA ARG 11 HA ARG 11 58.781 -1.301 9.648 78 HE ARG 11 HE ARG 11 53.616 -0.866 10.007 79 HB2 ARG 11 HB2 ARG 11 57.177 -1.484 12.201 80 HB3 ARG 11 HB1 ARG 11 58.250 -0.120 11.886 81 HG2 ARG 11 HG2 ARG 11 55.965 0.400 11.140 82 HG3 ARG 11 HG1 ARG 11 57.058 0.314 9.759 83 HD2 ARG 11 HD2 ARG 11 56.230 -1.782 9.077 84 HD3 ARG 11 HD1 ARG 11 55.518 -2.116 10.655 85 HH11 ARG 11 HH21 ARG 11 56.312 -0.352 7.921 86 HH12 ARG 11 HH22 ARG 11 55.406 0.550 6.752 87 HH21 ARG 11 HH11 ARG 11 52.416 0.308 8.493 88 HH22 ARG 11 HH12 ARG 11 53.200 0.924 7.076 89 H SER 12 HN SER 12 60.956 -1.698 9.739 90 HA SER 12 HA SER 12 63.056 -2.278 10.628 91 HG SER 12 HG SER 12 64.473 -0.863 12.147 92 HB2 SER 12 HB2 SER 12 62.428 -0.160 11.883 93 HB3 SER 12 HB1 SER 12 61.872 -1.193 13.197 94 H ALA 13 HN ALA 13 63.891 -3.226 13.061 95 HA ALA 13 HA ALA 13 62.763 -5.931 13.044 96 HB1 ALA 13 HB1 ALA 13 64.960 -4.661 14.707 97 HB2 ALA 13 HB2 ALA 13 65.176 -5.675 13.280 98 HB3 ALA 13 HB3 ALA 13 64.527 -6.370 14.766 99 H THR 14 HN THR 14 63.697 -4.277 16.018 100 HA THR 14 HA THR 14 60.882 -4.234 16.945 101 HB THR 14 HB THR 14 61.742 -6.492 17.528 102 HG1 THR 14 HG1 THR 14 60.449 -6.070 19.120 103 HG21 THR 14 HG21 THR 14 63.641 -6.795 18.925 104 HG22 THR 14 HG22 THR 14 63.723 -5.077 19.315 105 HG23 THR 14 HG23 THR 14 64.152 -5.636 17.699 106 H ARG 15 HN ARG 15 63.422 -2.461 16.462 107 HA ARG 15 HA ARG 15 62.908 -0.727 18.776 108 HE ARG 15 HE ARG 15 66.965 -1.089 20.165 109 HB2 ARG 15 HB2 ARG 15 65.310 -0.568 19.392 110 HB3 ARG 15 HB1 ARG 15 64.668 -2.188 19.662 111 HG2 ARG 15 HG2 ARG 15 65.521 -2.736 17.297 112 HG3 ARG 15 HG1 ARG 15 66.442 -1.236 17.410 113 HD2 ARG 15 HD2 ARG 15 66.728 -3.756 19.020 114 HD3 ARG 15 HD1 ARG 15 67.977 -2.790 18.236 115 HH11 ARG 15 HH21 ARG 15 68.172 -4.317 20.084 116 HH12 ARG 15 HH22 ARG 15 68.799 -4.265 21.698 117 HH21 ARG 15 HH11 ARG 15 67.777 -1.001 22.273 118 HH22 ARG 15 HH12 ARG 15 68.575 -2.387 22.937 119 H VAL 16 HN VAL 16 62.900 1.336 18.027 120 HA VAL 16 HA VAL 16 63.769 1.882 15.293 121 HB VAL 16 HB VAL 16 62.894 3.934 17.333 122 HG11 VAL 16 HG11 VAL 16 63.795 4.616 15.067 123 HG12 VAL 16 HG12 VAL 16 62.146 5.152 15.392 124 HG13 VAL 16 HG13 VAL 16 62.432 3.762 14.344 125 HG21 VAL 16 HG21 VAL 16 60.569 3.479 16.437 126 HG22 VAL 16 HG22 VAL 16 61.226 2.190 17.446 127 HG23 VAL 16 HG23 VAL 16 61.214 2.017 15.691 128 H MET 17 HN MET 17 65.556 3.117 14.674 129 HA MET 17 HA MET 17 67.680 3.386 16.704 130 HB2 MET 17 HB2 MET 17 68.080 2.462 14.376 131 HB3 MET 17 HB1 MET 17 67.806 4.090 13.759 132 HG2 MET 17 HG2 MET 17 69.602 4.820 15.484 133 HG3 MET 17 HG1 MET 17 70.028 3.109 15.546 134 HE1 MET 17 HE1 MET 17 72.907 4.352 13.388 135 HE2 MET 17 HE2 MET 17 72.392 3.316 14.716 136 HE3 MET 17 HE3 MET 17 72.176 5.061 14.833 137 H GLY 18 HN GLY 18 68.079 5.703 14.300 138 HA2 GLY 18 HA2 GLY 18 67.751 7.872 16.215 139 HA3 GLY 18 HA1 GLY 18 68.239 8.047 14.529 140 H GLY 19 HN GLY 19 65.338 7.152 16.428 141 HA2 GLY 19 HA2 GLY 19 63.121 7.902 16.185 142 HA3 GLY 19 HA1 GLY 19 63.722 9.151 15.094 143 HA PRO 20 HA PRO 20 61.104 5.834 12.858 144 HB2 PRO 20 HB2 PRO 20 60.274 8.411 11.578 145 HB3 PRO 20 HB1 PRO 20 59.289 7.002 12.018 146 HG2 PRO 20 HG2 PRO 20 59.263 9.234 13.473 147 HG3 PRO 20 HG1 PRO 20 59.128 7.633 14.219 148 HD2 PRO 20 HD2 PRO 20 61.435 9.519 14.222 149 HD3 PRO 20 HD1 PRO 20 60.979 8.289 15.422 150 H1U RCY 21 H1U RCY 21 65.023 2.043 4.061 151 H1S RCY 21 H1S RCY 21 61.903 2.368 7.546 152 HB1 RCY 21 HB1 RCY 21 64.791 4.123 10.545 153 HB2 RCY 21 HB2 RCY 21 64.934 4.264 8.793 154 HA RCY 21 HA RCY 21 64.260 6.421 9.717 155 HN1 RCY 21 HN1 RCY 21 62.390 4.860 11.336 156 H THR 22 HN THR 22 63.533 7.522 7.972 157 HA THR 22 HA THR 22 61.255 6.373 6.403 158 HB THR 22 HB THR 22 60.774 8.653 5.692 159 HG1 THR 22 HG1 THR 22 62.498 9.853 5.635 160 HG21 THR 22 HG21 THR 22 61.288 8.680 8.674 161 HG22 THR 22 HG22 THR 22 59.954 7.798 7.932 162 HG23 THR 22 HG23 THR 22 60.035 9.554 7.793 163 HA PRO 23 HA PRO 23 64.832 5.576 3.619 164 HB2 PRO 23 HB2 PRO 23 62.504 4.588 2.012 165 HB3 PRO 23 HB1 PRO 23 64.079 3.822 2.303 166 HG2 PRO 23 HG2 PRO 23 61.885 3.004 3.567 167 HG3 PRO 23 HG1 PRO 23 63.460 3.040 4.378 168 HD2 PRO 23 HD2 PRO 23 61.121 4.861 4.733 169 HD3 PRO 23 HD1 PRO 23 62.368 4.382 5.906 170 H ARG 24 HN ARG 24 61.725 7.090 2.809 171 HA ARG 24 HA ARG 24 62.751 8.317 0.368 172 HE ARG 24 HE ARG 24 58.371 8.882 4.315 173 HB2 ARG 24 HB2 ARG 24 60.573 9.712 0.661 174 HB3 ARG 24 HB1 ARG 24 60.417 7.987 0.330 175 HG2 ARG 24 HG2 ARG 24 60.013 7.494 2.648 176 HG3 ARG 24 HG1 ARG 24 60.443 9.135 3.132 177 HD2 ARG 24 HD2 ARG 24 58.510 9.938 1.680 178 HD3 ARG 24 HD1 ARG 24 58.015 8.250 1.559 179 HH11 ARG 24 HH21 ARG 24 56.387 9.614 1.592 180 HH12 ARG 24 HH22 ARG 24 54.977 9.947 2.540 181 HH21 ARG 24 HH11 ARG 24 56.541 9.313 5.570 182 HH22 ARG 24 HH12 ARG 24 55.064 9.777 4.793 183 H LYS 25 HN LYS 25 64.676 9.324 1.347 184 HA LYS 25 HA LYS 25 64.539 11.282 3.416 185 HB2 LYS 25 HB2 LYS 25 66.619 10.154 2.369 186 HB3 LYS 25 HB1 LYS 25 66.504 11.398 1.126 187 HG2 LYS 25 HG2 LYS 25 67.972 12.325 2.739 188 HG3 LYS 25 HG1 LYS 25 66.417 13.084 3.081 189 HD2 LYS 25 HD2 LYS 25 66.058 11.795 4.996 190 HD3 LYS 25 HD1 LYS 25 67.153 10.519 4.463 191 HE2 LYS 25 HE2 LYS 25 69.081 11.993 4.817 192 HE3 LYS 25 HE1 LYS 25 68.007 13.309 5.291 193 HZ1 LYS 25 HZ1 LYS 25 68.137 10.690 6.679 194 HZ2 LYS 25 HZ2 LYS 25 67.283 12.072 7.176 195 HZ3 LYS 25 HZ3 LYS 25 68.982 12.073 7.183 196 H GLY 26 HN GLY 26 65.264 12.110 0.018 197 HA2 GLY 26 HA2 GLY 26 63.172 13.651 -0.779 198 HA3 GLY 26 HA1 GLY 26 63.943 14.711 0.402 199 HA PRO 27 HA PRO 27 65.738 15.603 -3.838 200 HB2 PRO 27 HB2 PRO 27 66.158 18.149 -2.316 201 HB3 PRO 27 HB1 PRO 27 65.600 17.914 -3.984 202 HG2 PRO 27 HG2 PRO 27 63.916 18.572 -2.034 203 HG3 PRO 27 HG1 PRO 27 63.440 17.477 -3.343 204 HD2 PRO 27 HD2 PRO 27 64.058 16.845 -0.493 205 HD3 PRO 27 HD1 PRO 27 62.957 16.022 -1.620 206 HA PRO 28 HA PRO 28 70.037 14.838 -3.162 207 HB2 PRO 28 HB2 PRO 28 70.499 17.654 -4.109 208 HB3 PRO 28 HB1 PRO 28 71.340 16.161 -4.573 209 HG2 PRO 28 HG2 PRO 28 69.454 17.266 -6.117 210 HG3 PRO 28 HG1 PRO 28 69.678 15.513 -6.012 211 HD2 PRO 28 HD2 PRO 28 67.458 17.163 -4.981 212 HD3 PRO 28 HD1 PRO 28 67.513 15.413 -5.281 213 H LYS 29 HN LYS 29 71.115 14.894 -1.231 214 HA LYS 29 HA LYS 29 71.758 17.343 0.153 215 HB2 LYS 29 HB2 LYS 29 69.264 17.019 0.650 216 HB3 LYS 29 HB1 LYS 29 69.741 15.596 1.576 217 HG2 LYS 29 HG2 LYS 29 71.390 17.160 2.793 218 HG3 LYS 29 HG1 LYS 29 70.464 18.483 2.083 219 HD2 LYS 29 HD2 LYS 29 68.417 17.666 3.132 220 HD3 LYS 29 HD1 LYS 29 69.272 16.260 3.767 221 HE2 LYS 29 HE2 LYS 29 69.120 17.881 5.550 222 HE3 LYS 29 HE1 LYS 29 70.796 17.849 5.002 223 HZ1 LYS 29 HZ1 LYS 29 70.538 19.840 3.854 224 HZ2 LYS 29 HZ2 LYS 29 69.696 20.106 5.306 225 HZ3 LYS 29 HZ3 LYS 29 68.843 19.759 3.878 226 H1U RCY 30 H1U RCY 30 76.591 11.707 -6.376 227 H1S RCY 30 H1S RCY 30 74.727 14.141 -2.620 228 HB1 RCY 30 HB1 RCY 30 74.447 13.047 -0.941 229 HB2 RCY 30 HB2 RCY 30 75.720 12.659 0.216 230 HA RCY 30 HA RCY 30 73.816 13.391 1.491 231 HN1 RCY 30 HN1 RCY 30 73.451 15.390 -0.617 232 H LYS 31 HN LYS 31 75.362 13.462 3.134 233 HA LYS 31 HA LYS 31 77.034 15.932 3.334 234 HB2 LYS 31 HB2 LYS 31 76.459 15.581 5.927 235 HB3 LYS 31 HB1 LYS 31 75.422 16.549 4.878 236 HG2 LYS 31 HG2 LYS 31 73.882 14.750 4.577 237 HG3 LYS 31 HG1 LYS 31 75.000 13.582 5.280 238 HD2 LYS 31 HD2 LYS 31 74.744 14.507 7.468 239 HD3 LYS 31 HD1 LYS 31 73.920 15.936 6.841 240 HE2 LYS 31 HE2 LYS 31 72.101 14.383 5.991 241 HE3 LYS 31 HE1 LYS 31 72.878 13.094 6.911 242 HZ1 LYS 31 HZ1 LYS 31 71.421 15.441 7.860 243 HZ2 LYS 31 HZ2 LYS 31 72.741 14.914 8.791 244 HZ3 LYS 31 HZ3 LYS 31 71.447 13.860 8.474 245 H GLN 32 HN GLN 32 78.601 14.223 2.508 246 HA GLN 32 HA GLN 32 79.974 13.022 4.829 247 HB2 GLN 32 HB2 GLN 32 78.414 11.249 4.010 248 HB3 GLN 32 HB1 GLN 32 79.189 11.341 2.428 249 HG2 GLN 32 HG2 GLN 32 81.323 10.666 3.373 250 HG3 GLN 32 HG1 GLN 32 80.658 10.720 5.006 251 HE21 GLN 32 HE21 GLN 32 78.569 9.516 2.476 252 HE22 GLN 32 HE22 GLN 32 78.671 7.875 2.899 253 H ARG 33 HN ARG 33 81.894 14.079 4.523 254 HA ARG 33 HA ARG 33 82.962 14.450 1.796 255 HE ARG 33 HE ARG 33 82.305 19.591 4.165 256 HB2 ARG 33 HB2 ARG 33 84.266 15.197 4.426 257 HB3 ARG 33 HB1 ARG 33 84.628 15.845 2.826 258 HG2 ARG 33 HG2 ARG 33 82.408 16.863 2.698 259 HG3 ARG 33 HG1 ARG 33 81.968 16.151 4.251 260 HD2 ARG 33 HD2 ARG 33 83.837 17.417 5.317 261 HD3 ARG 33 HD1 ARG 33 84.157 18.192 3.766 262 HH11 ARG 33 HH21 ARG 33 82.194 16.726 6.080 263 HH12 ARG 33 HH22 ARG 33 80.798 17.221 6.979 264 HH21 ARG 33 HH11 ARG 33 80.483 20.254 5.328 265 HH22 ARG 33 HH12 ARG 33 79.830 19.219 6.553 266 H GLN 34 HN GLN 34 84.845 13.435 1.032 267 HA GLN 34 HA GLN 34 85.440 10.833 2.152 268 HB2 GLN 34 HB2 GLN 34 86.914 12.434 0.036 269 HB3 GLN 34 HB1 GLN 34 87.156 10.720 0.376 270 HG2 GLN 34 HG2 GLN 34 84.760 10.306 -0.157 271 HG3 GLN 34 HG1 GLN 34 84.584 12.009 -0.583 272 HE21 GLN 34 HE21 GLN 34 84.624 12.222 -2.821 273 HE22 GLN 34 HE22 GLN 34 85.651 11.364 -3.866 274 H THR 35 HN THR 35 88.011 10.365 2.334 275 HA THR 35 HA THR 35 89.219 12.513 4.029 276 HB THR 35 HB THR 35 89.297 9.560 4.699 277 HG1 THR 35 HG1 THR 35 87.238 10.134 5.072 278 HG21 THR 35 HG21 THR 35 89.940 12.002 6.371 279 HG22 THR 35 HG22 THR 35 91.152 11.048 5.516 280 HG23 THR 35 HG23 THR 35 90.205 10.314 6.810 281 H ARG 36 HN ARG 36 89.921 9.324 2.543 282 HA ARG 36 HA ARG 36 92.476 10.496 1.518 283 HE ARG 36 HE ARG 36 95.865 8.166 2.433 284 HB2 ARG 36 HB2 ARG 36 92.077 7.844 2.925 285 HB3 ARG 36 HB1 ARG 36 93.513 8.223 1.974 286 HG2 ARG 36 HG2 ARG 36 92.771 10.310 3.921 287 HG3 ARG 36 HG1 ARG 36 93.240 8.773 4.650 288 HD2 ARG 36 HD2 ARG 36 94.864 10.290 2.586 289 HD3 ARG 36 HD1 ARG 36 95.197 10.260 4.317 290 HH11 ARG 36 HH21 ARG 36 94.836 8.874 5.647 291 HH12 ARG 36 HH22 ARG 36 95.522 7.436 6.326 292 HH21 ARG 36 HH11 ARG 36 96.766 6.283 3.301 293 HH22 ARG 36 HH12 ARG 36 96.614 5.969 4.998 294 H GLN 37 HN GLN 37 90.155 10.306 -0.002 295 HA GLN 37 HA GLN 37 89.377 9.459 -2.047 296 HB2 GLN 37 HB2 GLN 37 92.084 8.129 -2.289 297 HB3 GLN 37 HB1 GLN 37 91.029 8.685 -3.587 298 HG2 GLN 37 HG2 GLN 37 92.351 10.492 -1.541 299 HG3 GLN 37 HG1 GLN 37 92.928 10.245 -3.189 300 HE21 GLN 37 HE21 GLN 37 90.687 12.028 -1.242 301 HE22 GLN 37 HE22 GLN 37 89.871 12.803 -2.513 302 H1U RCY 38 H1U RCY 38 82.817 1.374 0.710 303 H1S RCY 38 H1S RCY 38 85.943 3.651 -0.423 304 HB1 RCY 38 HB1 RCY 38 87.444 5.727 -2.822 305 HB2 RCY 38 HB2 RCY 38 87.642 5.528 -1.081 306 HA RCY 38 HA RCY 38 89.903 4.762 -1.342 307 HN1 RCY 38 HN1 RCY 38 90.256 6.900 -3.227 308 H LYS 39 HN LYS 39 91.740 4.333 -2.898 309 HA LYS 39 HA LYS 39 90.926 2.397 -4.871 310 HB2 LYS 39 HB2 LYS 39 91.875 3.614 -6.857 311 HB3 LYS 39 HB1 LYS 39 90.389 4.330 -6.233 312 HG2 LYS 39 HG2 LYS 39 91.755 5.956 -4.931 313 HG3 LYS 39 HG1 LYS 39 93.212 5.277 -5.658 314 HD2 LYS 39 HD2 LYS 39 90.963 6.246 -7.406 315 HD3 LYS 39 HD1 LYS 39 92.134 7.391 -6.752 316 HE2 LYS 39 HE2 LYS 39 93.967 5.953 -7.700 317 HE3 LYS 39 HE1 LYS 39 92.726 4.977 -8.485 318 HZ1 LYS 39 HZ1 LYS 39 91.951 6.943 -9.643 319 HZ2 LYS 39 HZ2 LYS 39 93.597 6.679 -9.966 320 HZ3 LYS 39 HZ3 LYS 39 93.127 7.894 -8.876 321 H SER 40 HN SER 40 93.147 3.860 -2.865 322 HA SER 40 HA SER 40 95.622 3.106 -4.143 323 HG SER 40 HG SER 40 94.882 2.790 -0.526 324 HB2 SER 40 HB2 SER 40 96.550 3.330 -1.798 325 HB3 SER 40 HB1 SER 40 95.689 4.751 -2.383 326 H LYS 41 HN LYS 41 93.219 1.375 -2.327 327 HA LYS 41 HA LYS 41 94.878 -1.096 -2.576 328 HB2 LYS 41 HB2 LYS 41 93.250 -0.340 -0.128 329 HB3 LYS 41 HB1 LYS 41 94.189 -1.818 -0.342 330 HG2 LYS 41 HG2 LYS 41 96.259 -0.549 -0.457 331 HG3 LYS 41 HG1 LYS 41 95.370 0.974 -0.413 332 HD2 LYS 41 HD2 LYS 41 94.493 0.377 1.831 333 HD3 LYS 41 HD1 LYS 41 95.445 -1.108 1.792 334 HE2 LYS 41 HE2 LYS 41 96.608 1.683 1.564 335 HE3 LYS 41 HE1 LYS 41 96.582 0.728 3.046 336 HZ1 LYS 41 HZ1 LYS 41 98.489 -0.139 2.355 337 HZ2 LYS 41 HZ2 LYS 41 98.338 0.546 0.807 338 HZ3 LYS 41 HZ3 LYS 41 97.614 -0.952 1.150 339 HA PRO 42 HA PRO 42 90.584 -1.788 -4.085 340 HB2 PRO 42 HB2 PRO 42 91.190 -2.667 -6.567 341 HB3 PRO 42 HB1 PRO 42 91.180 -0.939 -6.164 342 HG2 PRO 42 HG2 PRO 42 93.475 -2.779 -6.525 343 HG3 PRO 42 HG1 PRO 42 93.330 -1.059 -6.916 344 HD2 PRO 42 HD2 PRO 42 94.579 -2.126 -4.628 345 HD3 PRO 42 HD1 PRO 42 94.107 -0.429 -4.862 346 HA PRO 43 HA PRO 43 90.046 -6.093 -3.203 347 HB2 PRO 43 HB2 PRO 43 89.017 -6.363 -6.009 348 HB3 PRO 43 HB1 PRO 43 88.310 -6.949 -4.491 349 HG2 PRO 43 HG2 PRO 43 87.410 -4.750 -5.728 350 HG3 PRO 43 HG1 PRO 43 87.412 -4.912 -3.965 351 HD2 PRO 43 HD2 PRO 43 89.096 -3.186 -5.674 352 HD3 PRO 43 HD1 PRO 43 88.734 -3.044 -3.941 353 H LYS 44 HN LYS 44 90.798 -8.284 -3.917 354 HA LYS 44 HA LYS 44 93.367 -8.055 -5.369 355 HB2 LYS 44 HB2 LYS 44 93.870 -10.236 -4.481 356 HB3 LYS 44 HB1 LYS 44 93.143 -9.303 -3.173 357 HG2 LYS 44 HG2 LYS 44 90.903 -10.322 -3.906 358 HG3 LYS 44 HG1 LYS 44 91.859 -11.454 -4.862 359 HD2 LYS 44 HD2 LYS 44 93.146 -11.980 -2.729 360 HD3 LYS 44 HD1 LYS 44 91.909 -11.070 -1.861 361 HE2 LYS 44 HE2 LYS 44 91.648 -13.663 -3.356 362 HE3 LYS 44 HE1 LYS 44 91.058 -13.242 -1.748 363 HZ1 LYS 44 HZ1 LYS 44 89.997 -12.273 -4.345 364 HZ2 LYS 44 HZ2 LYS 44 89.497 -11.687 -2.830 365 HZ3 LYS 44 HZ3 LYS 44 89.220 -13.310 -3.250 366 H LYS 45 HN LYS 45 90.165 -9.434 -5.756 367 HA LYS 45 HA LYS 45 91.016 -10.773 -8.280 368 HB2 LYS 45 HB2 LYS 45 89.633 -12.001 -6.525 369 HB3 LYS 45 HB1 LYS 45 88.308 -10.912 -6.934 370 HG2 LYS 45 HG2 LYS 45 87.860 -12.663 -8.388 371 HG3 LYS 45 HG1 LYS 45 88.894 -11.665 -9.411 372 HD2 LYS 45 HD2 LYS 45 90.847 -13.007 -8.797 373 HD3 LYS 45 HD1 LYS 45 89.861 -13.975 -7.700 374 HE2 LYS 45 HE2 LYS 45 88.500 -14.765 -9.578 375 HE3 LYS 45 HE1 LYS 45 89.418 -13.752 -10.692 376 HZ1 LYS 45 HZ1 LYS 45 90.001 -16.322 -10.040 377 HZ2 LYS 45 HZ2 LYS 45 91.082 -15.434 -9.076 378 HZ3 LYS 45 HZ3 LYS 45 91.070 -15.220 -10.761 379 H GLY 46 HN GLY 46 87.944 -9.197 -7.385 380 HA2 GLY 46 HA2 GLY 46 87.376 -8.255 -9.991 381 HA3 GLY 46 HA1 GLY 46 86.693 -7.567 -8.518 382 H VAL 47 HN VAL 47 89.380 -7.347 -10.794 383 HA VAL 47 HA VAL 47 90.811 -5.225 -9.551 384 HB VAL 47 HB VAL 47 91.560 -4.697 -11.916 385 HG11 VAL 47 HG11 VAL 47 92.729 -6.351 -10.502 386 HG12 VAL 47 HG12 VAL 47 92.739 -6.847 -12.195 387 HG13 VAL 47 HG13 VAL 47 91.623 -7.607 -11.060 388 HG21 VAL 47 HG21 VAL 47 90.806 -6.203 -13.696 389 HG22 VAL 47 HG22 VAL 47 89.417 -5.371 -12.998 390 HG23 VAL 47 HG23 VAL 47 89.751 -7.047 -12.563 391 H GLN 48 HN GLN 48 90.847 -3.070 -11.277 392 HA GLN 48 HA GLN 48 88.240 -1.819 -10.657 393 HB2 GLN 48 HB2 GLN 48 89.584 0.214 -11.729 394 HB3 GLN 48 HB1 GLN 48 89.910 -0.315 -10.078 395 HG2 GLN 48 HG2 GLN 48 91.990 -0.017 -11.445 396 HG3 GLN 48 HG1 GLN 48 91.796 -1.657 -10.824 397 HE21 GLN 48 HE21 GLN 48 90.498 0.099 -13.710 398 HE22 GLN 48 HE22 GLN 48 90.935 -1.111 -14.818 399 H GLY 49 HN GLY 49 86.968 -0.764 -12.294 400 HA2 GLY 49 HA2 GLY 49 87.236 -0.325 -14.924 401 HA3 GLY 49 HA1 GLY 49 87.181 -2.089 -14.933 402 H1U RCY 50 H1U RCY 50 82.101 0.466 -6.795 403 H1S RCY 50 H1S RCY 50 85.262 -1.566 -9.852 404 HB1 RCY 50 HB1 RCY 50 82.418 -2.277 -13.304 405 HB2 RCY 50 HB2 RCY 50 82.014 -1.311 -11.887 406 HA RCY 50 HA RCY 50 82.887 -0.261 -14.267 407 HN1 RCY 50 HN1 RCY 50 85.377 0.099 -12.793 408 H GLY 51 HN GLY 51 81.096 0.289 -12.218 409 HA2 GLY 51 HA2 GLY 51 80.251 2.138 -11.043 410 HA3 GLY 51 HA1 GLY 51 81.850 2.214 -10.301 411 H ASP 52 HN ASP 52 80.155 3.121 -13.316 412 HA ASP 52 HA ASP 52 81.491 5.748 -13.229 413 HB2 ASP 52 HB2 ASP 52 83.011 4.124 -14.495 414 HB3 ASP 52 HB1 ASP 52 81.744 4.050 -15.721 415 H ASP 53 HN ASP 53 79.136 3.543 -14.598 416 HA ASP 53 HA ASP 53 77.847 5.609 -16.224 417 HB2 ASP 53 HB2 ASP 53 76.718 2.925 -15.387 418 HB3 ASP 53 HB1 ASP 53 76.229 3.909 -16.767 419 H ILE 54 HN ILE 54 75.233 5.570 -15.757 420 HA ILE 54 HA ILE 54 74.977 6.950 -13.209 421 HB ILE 54 HB ILE 54 72.788 6.119 -15.135 422 HG12 ILE 54 HG12 ILE 54 74.430 8.671 -15.035 423 HG13 ILE 54 HG11 ILE 54 74.569 7.418 -16.269 424 HG21 ILE 54 HG21 ILE 54 72.929 8.400 -13.141 425 HG22 ILE 54 HG22 ILE 54 72.105 6.870 -12.839 426 HG23 ILE 54 HG23 ILE 54 71.537 7.939 -14.121 427 HD11 ILE 54 HD11 ILE 54 72.179 9.187 -15.703 428 HD12 ILE 54 HD12 ILE 54 72.099 7.766 -16.745 429 HD13 ILE 54 HD13 ILE 54 73.141 9.121 -17.180 430 HA PRO 55 HA PRO 55 73.856 3.207 -11.008 431 HB2 PRO 55 HB2 PRO 55 73.150 4.328 -8.631 432 HB3 PRO 55 HB1 PRO 55 74.839 4.204 -9.162 433 HG2 PRO 55 HG2 PRO 55 73.010 6.551 -9.241 434 HG3 PRO 55 HG1 PRO 55 74.733 6.475 -8.834 435 HD2 PRO 55 HD2 PRO 55 73.788 7.290 -11.291 436 HD3 PRO 55 HD1 PRO 55 75.394 6.568 -11.045 437 H GLY 56 HN GLY 56 71.645 5.976 -10.438 438 HA2 GLY 56 HA2 GLY 56 69.370 4.475 -11.470 439 HA3 GLY 56 HA1 GLY 56 69.328 4.665 -9.716 440 H MET 57 HN MET 57 69.743 6.586 -12.692 441 HA MET 57 HA MET 57 69.294 8.855 -13.092 442 HB2 MET 57 HB2 MET 57 67.029 9.150 -13.251 443 HB3 MET 57 HB1 MET 57 67.015 7.434 -12.869 444 HG2 MET 57 HG2 MET 57 65.613 8.082 -11.176 445 HG3 MET 57 HG1 MET 57 67.120 8.493 -10.357 446 HE1 MET 57 HE1 MET 57 64.368 11.239 -9.621 447 HE2 MET 57 HE2 MET 57 65.684 10.396 -8.807 448 HE3 MET 57 HE3 MET 57 64.442 9.473 -9.649 449 H GLU 58 HN GLU 58 70.438 8.070 -10.301 450 HA GLU 58 HA GLU 58 71.082 9.246 -8.376 451 HB2 GLU 58 HB2 GLU 58 71.616 10.906 -10.318 452 HB3 GLU 58 HB1 GLU 58 70.188 11.774 -9.757 453 HG2 GLU 58 HG2 GLU 58 71.868 12.790 -8.493 454 HG3 GLU 58 HG1 GLU 58 71.319 11.526 -7.391 455 H GLY 59 HN GLY 59 70.171 10.451 -6.529 456 HA2 GLY 59 HA2 GLY 59 68.315 11.496 -5.377 457 HA3 GLY 59 HA1 GLY 59 67.244 10.957 -6.671 458 H1U RCY 60 H1U RCY 60 75.134 5.236 -1.054 459 H1S RCY 60 H1S RCY 60 70.724 6.739 -1.351 460 HB1 RCY 60 HB1 RCY 60 68.525 6.469 -2.542 461 HB2 RCY 60 HB2 RCY 60 67.680 8.013 -2.655 462 HA RCY 60 HA RCY 60 68.872 6.374 -4.898 463 HN1 RCY 60 HN1 RCY 60 69.321 8.461 -5.884 464 H GLY 61 HN GLY 61 66.640 5.968 -2.950 465 HA2 GLY 61 HA2 GLY 61 64.333 5.469 -2.972 466 HA3 GLY 61 HA1 GLY 61 64.165 6.532 -4.371 467 H THR 62 HN THR 62 65.877 5.382 -6.183 468 HA THR 62 HA THR 62 64.414 3.398 -7.434 469 HB THR 62 HB THR 62 66.395 2.889 -8.722 470 HG1 THR 62 HG1 THR 62 67.598 3.566 -6.350 471 HG21 THR 62 HG21 THR 62 67.060 5.101 -9.398 472 HG22 THR 62 HG22 THR 62 66.639 5.769 -7.820 473 HG23 THR 62 HG23 THR 62 65.370 5.194 -8.902 474 H ASP 63 HN ASP 63 64.028 1.306 -7.045 475 HA ASP 63 HA ASP 63 64.552 -0.002 -4.646 476 HB2 ASP 63 HB2 ASP 63 64.322 -1.370 -7.342 477 HB3 ASP 63 HB1 ASP 63 63.963 -2.080 -5.767 478 H ILE 64 HN ILE 64 66.519 -0.197 -7.634 479 HA ILE 64 HA ILE 64 68.396 -2.093 -6.972 480 HB ILE 64 HB ILE 64 69.126 -1.212 -8.942 481 HG12 ILE 64 HG12 ILE 64 70.924 -0.551 -7.210 482 HG13 ILE 64 HG11 ILE 64 70.972 0.274 -8.769 483 HG21 ILE 64 HG21 ILE 64 68.688 1.241 -9.507 484 HG22 ILE 64 HG22 ILE 64 67.848 1.348 -7.959 485 HG23 ILE 64 HG23 ILE 64 67.257 0.255 -9.210 486 HD11 ILE 64 HD11 ILE 64 70.581 2.276 -7.809 487 HD12 ILE 64 HD12 ILE 64 70.827 1.490 -6.249 488 HD13 ILE 64 HD13 ILE 64 69.200 1.641 -6.913 489 H THR 65 HN THR 65 67.844 0.934 -5.367 490 HA THR 65 HA THR 65 70.375 1.119 -4.020 491 HB THR 65 HB THR 65 67.729 2.098 -2.928 492 HG1 THR 65 HG1 THR 65 69.376 3.645 -4.579 493 HG21 THR 65 HG21 THR 65 69.059 3.762 -1.842 494 HG22 THR 65 HG22 THR 65 70.483 3.340 -2.793 495 HG23 THR 65 HG23 THR 65 69.879 2.225 -1.567 496 H VAL 66 HN VAL 66 67.297 -0.465 -3.216 497 HA VAL 66 HA VAL 66 68.352 -1.423 -0.640 498 HB VAL 66 HB VAL 66 65.808 -2.363 -1.967 499 HG11 VAL 66 HG11 VAL 66 66.546 -1.858 0.932 500 HG12 VAL 66 HG12 VAL 66 66.622 -3.434 0.145 501 HG13 VAL 66 HG13 VAL 66 65.070 -2.621 0.341 502 HG21 VAL 66 HG21 VAL 66 64.696 -0.432 -0.813 503 HG22 VAL 66 HG22 VAL 66 65.763 0.067 -2.126 504 HG23 VAL 66 HG23 VAL 66 66.294 0.221 -0.451 505 H ILE 67 HN ILE 67 67.243 -2.932 -3.694 506 HA ILE 67 HA ILE 67 69.144 -5.174 -3.149 507 HB ILE 67 HB ILE 67 66.257 -5.387 -4.055 508 HG12 ILE 67 HG12 ILE 67 67.715 -6.707 -1.747 509 HG13 ILE 67 HG11 ILE 67 66.770 -5.226 -1.585 510 HG21 ILE 67 HG21 ILE 67 68.503 -7.418 -4.059 511 HG22 ILE 67 HG22 ILE 67 67.514 -6.907 -5.426 512 HG23 ILE 67 HG23 ILE 67 66.800 -7.870 -4.132 513 HD11 ILE 67 HD11 ILE 67 65.428 -7.218 -0.988 514 HD12 ILE 67 HD12 ILE 67 65.706 -7.879 -2.600 515 HD13 ILE 67 HD13 ILE 67 64.768 -6.399 -2.404 516 H1U RCY 68 H1U RCY 68 75.548 -0.628 -1.945 517 H1S RCY 68 H1S RCY 68 74.645 -2.730 -5.260 518 HB1 RCY 68 HB1 RCY 68 71.307 -2.533 -6.611 519 HB2 RCY 68 HB2 RCY 68 72.078 -3.509 -7.858 520 HA RCY 68 HA RCY 68 69.650 -4.070 -7.453 521 HN1 RCY 68 HN1 RCY 68 70.632 -4.772 -4.729 522 HA PRO 69 HA PRO 69 70.298 -8.028 -9.278 523 HB2 PRO 69 HB2 PRO 69 72.275 -6.643 -11.053 524 HB3 PRO 69 HB1 PRO 69 70.943 -7.730 -11.485 525 HG2 PRO 69 HG2 PRO 69 70.776 -5.059 -11.750 526 HG3 PRO 69 HG1 PRO 69 69.377 -6.076 -11.379 527 HD2 PRO 69 HD2 PRO 69 70.773 -4.142 -9.646 528 HD3 PRO 69 HD1 PRO 69 69.155 -4.852 -9.462 529 H TRP 70 HN TRP 70 73.250 -6.112 -8.629 530 HA TRP 70 HA TRP 70 74.925 -8.502 -8.571 531 HD1 TRP 70 HD1 TRP 70 75.448 -4.310 -6.442 532 HE1 TRP 70 HE1 TRP 70 74.297 -2.297 -7.566 533 HE3 TRP 70 HE3 TRP 70 74.695 -6.223 -11.116 534 HZ2 TRP 70 HZ2 TRP 70 73.199 -1.589 -10.115 535 HZ3 TRP 70 HZ3 TRP 70 73.597 -4.863 -12.868 536 HH2 TRP 70 HH2 TRP 70 72.848 -2.552 -12.378 537 HB2 TRP 70 HB2 TRP 70 76.387 -6.552 -7.264 538 HB3 TRP 70 HB1 TRP 70 76.406 -6.838 -9.001 539 H GLU 71 HN GLU 71 72.882 -6.897 -6.302 540 HA GLU 71 HA GLU 71 74.272 -7.758 -3.907 541 HB2 GLU 71 HB2 GLU 71 71.881 -6.269 -4.543 542 HB3 GLU 71 HB1 GLU 71 71.492 -7.499 -3.345 543 HG2 GLU 71 HG2 GLU 71 73.830 -5.583 -3.112 544 HG3 GLU 71 HG1 GLU 71 72.265 -5.332 -2.337 545 H ALA 72 HN ALA 72 72.678 -9.480 -6.288 546 HA ALA 72 HA ALA 72 71.256 -11.427 -4.716 547 HB1 ALA 72 HB1 ALA 72 71.350 -12.817 -6.763 548 HB2 ALA 72 HB2 ALA 72 72.514 -11.693 -7.465 549 HB3 ALA 72 HB3 ALA 72 70.865 -11.162 -7.135 550 H1U RCY 73 H1U RCY 73 75.535 -7.718 -0.136 551 H1S RCY 73 H1S RCY 73 77.966 -8.589 -3.985 552 HB1 RCY 73 HB1 RCY 73 77.335 -12.175 -2.995 553 HB2 RCY 73 HB2 RCY 73 76.125 -10.922 -2.722 554 HA RCY 73 HA RCY 73 75.895 -13.068 -4.852 555 HN1 RCY 73 HN1 RCY 73 74.428 -10.699 -4.574 556 H ASN 74 HN ASN 74 73.533 -12.214 -2.414 557 HA ASN 74 HA ASN 74 72.507 -13.540 -0.776 558 HB2 ASN 74 HB2 ASN 74 72.763 -15.283 -2.704 559 HB3 ASN 74 HB1 ASN 74 74.092 -15.920 -1.734 560 HD21 ASN 74 HD21 ASN 74 73.390 -16.131 0.758 561 HD22 ASN 74 HD22 ASN 74 71.868 -16.840 1.007 562 H HIS 75 HN HIS 75 75.987 -13.913 -1.256 563 HA HIS 75 HA HIS 75 76.404 -14.734 1.535 564 HD1 HIS 75 HD1 HIS 75 77.760 -16.779 1.929 565 HD2 HIS 75 HD2 HIS 75 80.701 -13.871 1.388 566 HE1 HIS 75 HE1 HIS 75 79.556 -17.249 3.652 567 HE2 HIS 75 HE2 HIS 75 81.353 -15.485 3.333 568 HB2 HIS 75 HB2 HIS 75 77.828 -15.416 -0.529 569 HB3 HIS 75 HB1 HIS 75 78.569 -13.825 -0.362 570 H1U RCY 76 H1U RCY 76 76.207 -3.805 3.445 571 H1S RCY 76 H1S RCY 76 75.827 -8.076 4.465 572 HB1 RCY 76 HB1 RCY 76 75.827 -10.238 0.903 573 HB2 RCY 76 HB2 RCY 76 76.683 -8.724 1.182 574 HA RCY 76 HA RCY 76 78.465 -9.895 0.351 575 HN1 RCY 76 HN1 RCY 76 78.037 -12.116 -0.253 576 H GLU 77 HN GLU 77 78.130 -12.306 2.882 577 HA GLU 77 HA GLU 77 79.252 -10.970 5.075 578 HB2 GLU 77 HB2 GLU 77 79.565 -13.835 4.152 579 HB3 GLU 77 HB1 GLU 77 80.194 -13.255 5.695 580 HG2 GLU 77 HG2 GLU 77 77.302 -12.923 4.861 581 HG3 GLU 77 HG1 GLU 77 77.881 -14.293 5.809 582 H LEU 78 HN LEU 78 81.454 -13.377 3.877 583 HA LEU 78 HA LEU 78 83.720 -13.235 3.295 584 HG LEU 78 HG LEU 78 84.675 -11.249 0.500 585 HB2 LEU 78 HB2 LEU 78 82.445 -11.444 1.657 586 HB3 LEU 78 HB1 LEU 78 83.582 -10.384 2.483 587 HD11 LEU 78 HD11 LEU 78 85.851 -13.034 2.584 588 HD12 LEU 78 HD12 LEU 78 85.779 -11.308 2.936 589 HD13 LEU 78 HD13 LEU 78 86.649 -11.883 1.513 590 HD21 LEU 78 HD21 LEU 78 83.058 -13.412 0.764 591 HD22 LEU 78 HD22 LEU 78 84.562 -14.077 1.401 592 HD23 LEU 78 HD23 LEU 78 84.514 -13.415 -0.233 593 H HIS 79 HN HIS 79 85.368 -12.969 4.729 594 HA HIS 79 HA HIS 79 85.054 -10.912 6.846 595 HD1 HIS 79 HD1 HIS 79 88.375 -12.732 5.280 596 HD2 HIS 79 HD2 HIS 79 85.662 -15.537 6.755 597 HE1 HIS 79 HE1 HIS 79 88.877 -14.908 4.086 598 HE2 HIS 79 HE2 HIS 79 87.232 -16.624 4.975 599 HB2 HIS 79 HB2 HIS 79 87.105 -12.228 7.783 600 HB3 HIS 79 HB1 HIS 79 85.519 -13.000 7.815 601 H GLU 80 HN GLU 80 86.015 -8.985 6.434 602 HA GLU 80 HA GLU 80 88.812 -8.976 5.440 603 HB2 GLU 80 HB2 GLU 80 86.459 -7.596 4.147 604 HB3 GLU 80 HB1 GLU 80 88.084 -6.926 4.002 605 HG2 GLU 80 HG2 GLU 80 87.467 -9.811 3.339 606 HG3 GLU 80 HG1 GLU 80 87.355 -8.524 2.138 607 H LEU 81 HN LEU 81 86.767 -6.138 5.572 608 HA LEU 81 HA LEU 81 88.384 -5.153 7.864 609 HG LEU 81 HG LEU 81 87.529 -4.538 4.578 610 HB2 LEU 81 HB2 LEU 81 86.351 -3.485 6.404 611 HB3 LEU 81 HB1 LEU 81 87.866 -2.987 7.158 612 HD11 LEU 81 HD11 LEU 81 88.544 -2.629 3.548 613 HD12 LEU 81 HD12 LEU 81 88.988 -1.940 5.110 614 HD13 LEU 81 HD13 LEU 81 87.295 -1.998 4.621 615 HD21 LEU 81 HD21 LEU 81 90.162 -4.150 4.676 616 HD22 LEU 81 HD22 LEU 81 89.428 -5.570 5.422 617 HD23 LEU 81 HD23 LEU 81 89.868 -4.181 6.415 618 H ALA 82 HN ALA 82 85.112 -6.047 6.974 619 HA ALA 82 HA ALA 82 83.761 -4.853 9.206 620 HB1 ALA 82 HB1 ALA 82 82.957 -7.425 7.828 621 HB2 ALA 82 HB2 ALA 82 82.699 -5.838 7.103 622 HB3 ALA 82 HB3 ALA 82 81.907 -6.252 8.623 623 H GLN 83 HN GLN 83 82.491 -7.486 10.014 624 HA GLN 83 HA GLN 83 82.781 -9.118 11.670 625 HB2 GLN 83 HB2 GLN 83 85.192 -9.153 10.177 626 HB3 GLN 83 HB1 GLN 83 85.675 -9.149 11.872 627 HG2 GLN 83 HG2 GLN 83 85.380 -11.448 11.259 628 HG3 GLN 83 HG1 GLN 83 83.980 -11.010 12.239 629 HE21 GLN 83 HE21 GLN 83 83.697 -9.446 9.265 630 HE22 GLN 83 HE22 GLN 83 82.703 -10.572 8.475 631 H TYR 84 HN TYR 84 84.806 -6.228 11.823 632 HA TYR 84 HA TYR 84 84.809 -6.366 14.796 633 HD1 TYR 84 HD1 TYR 84 86.941 -7.225 15.304 634 HD2 TYR 84 HD2 TYR 84 87.735 -5.318 11.538 635 HE1 TYR 84 HE1 TYR 84 88.618 -8.973 14.772 636 HE2 TYR 84 HE2 TYR 84 89.411 -7.066 11.006 637 HH TYR 84 HH TYR 84 89.621 -9.959 12.612 638 HB2 TYR 84 HB2 TYR 84 86.186 -4.361 12.986 639 HB3 TYR 84 HB1 TYR 84 86.475 -4.610 14.707 640 H GLY 85 HN GLY 85 84.417 -3.699 12.434 641 HA2 GLY 85 HA2 GLY 85 82.679 -2.266 14.287 642 HA3 GLY 85 HA1 GLY 85 83.108 -1.745 12.658 643 H ILE 86 HN ILE 86 81.704 -4.897 13.417 644 HA ILE 86 HA ILE 86 79.761 -5.888 12.524 645 HB ILE 86 HB ILE 86 78.666 -3.168 13.308 646 HG12 ILE 86 HG12 ILE 86 78.553 -5.720 14.916 647 HG13 ILE 86 HG11 ILE 86 79.930 -4.624 15.044 648 HG21 ILE 86 HG21 ILE 86 76.576 -4.683 13.665 649 HG22 ILE 86 HG22 ILE 86 77.397 -5.800 12.574 650 HG23 ILE 86 HG23 ILE 86 76.976 -4.178 12.023 651 HD11 ILE 86 HD11 ILE 86 78.647 -2.904 15.962 652 HD12 ILE 86 HD12 ILE 86 77.883 -4.328 16.668 653 HD13 ILE 86 HD13 ILE 86 77.144 -3.527 15.281 654 H1U RCY 87 H1U RCY 87 75.262 -1.049 3.325 655 H1S RCY 87 H1S RCY 87 77.068 -3.120 7.319 656 HB1 RCY 87 HB1 RCY 87 77.615 -1.059 8.644 657 HB2 RCY 87 HB2 RCY 87 77.469 -1.248 10.391 658 HA RCY 87 HA RCY 87 78.408 -3.603 8.800 659 HN1 RCY 87 HN1 RCY 87 78.575 -2.734 11.590 Start of MODEL 18 1 HA MET 1 HA MET 1 51.873 -15.342 -5.558 2 HB2 MET 1 HB2 MET 1 49.900 -16.781 -4.877 3 HB3 MET 1 HB1 MET 1 51.107 -16.540 -3.613 4 HG2 MET 1 HG2 MET 1 49.755 -14.812 -2.574 5 HG3 MET 1 HG1 MET 1 48.595 -14.868 -3.901 6 HE1 MET 1 HE1 MET 1 50.298 -18.186 -2.142 7 HE2 MET 1 HE2 MET 1 49.434 -17.911 -0.631 8 HE3 MET 1 HE3 MET 1 50.470 -16.646 -1.289 9 H ASN 2 HN ASN 2 49.298 -13.062 -4.827 10 HA ASN 2 HA ASN 2 47.784 -13.707 -7.248 11 HB2 ASN 2 HB2 ASN 2 46.757 -12.780 -5.127 12 HB3 ASN 2 HB1 ASN 2 47.545 -11.245 -5.497 13 HD21 ASN 2 HD21 ASN 2 46.882 -12.584 -8.462 14 HD22 ASN 2 HD22 ASN 2 45.361 -11.889 -8.754 15 H LEU 3 HN LEU 3 49.413 -10.691 -6.181 16 HA LEU 3 HA LEU 3 49.418 -9.374 -8.642 17 HG LEU 3 HG LEU 3 52.828 -9.794 -7.359 18 HB2 LEU 3 HB2 LEU 3 51.201 -8.020 -7.810 19 HB3 LEU 3 HB1 LEU 3 50.260 -8.494 -6.398 20 HD11 LEU 3 HD11 LEU 3 52.143 -8.132 -4.916 21 HD12 LEU 3 HD12 LEU 3 53.219 -7.668 -6.234 22 HD13 LEU 3 HD13 LEU 3 53.671 -8.981 -5.147 23 HD21 LEU 3 HD21 LEU 3 51.563 -11.559 -6.432 24 HD22 LEU 3 HD22 LEU 3 50.829 -10.513 -5.217 25 HD23 LEU 3 HD23 LEU 3 52.521 -10.985 -5.067 26 H GLU 4 HN GLU 4 51.379 -9.031 -10.107 27 HA GLU 4 HA GLU 4 52.349 -11.682 -10.956 28 HB2 GLU 4 HB2 GLU 4 52.667 -8.927 -12.187 29 HB3 GLU 4 HB1 GLU 4 53.222 -10.428 -12.928 30 HG2 GLU 4 HG2 GLU 4 50.348 -9.937 -12.110 31 HG3 GLU 4 HG1 GLU 4 50.960 -9.644 -13.738 32 HA PRO 5 HA PRO 5 56.370 -11.790 -9.129 33 HB2 PRO 5 HB2 PRO 5 57.326 -11.745 -11.976 34 HB3 PRO 5 HB1 PRO 5 57.840 -12.788 -10.635 35 HG2 PRO 5 HG2 PRO 5 56.121 -13.615 -12.528 36 HG3 PRO 5 HG1 PRO 5 56.043 -14.183 -10.853 37 HD2 PRO 5 HD2 PRO 5 54.166 -12.440 -12.296 38 HD3 PRO 5 HD1 PRO 5 53.939 -13.302 -10.760 39 HA PRO 6 HA PRO 6 57.206 -7.337 -9.857 40 HB2 PRO 6 HB2 PRO 6 57.470 -6.604 -7.271 41 HB3 PRO 6 HB1 PRO 6 55.878 -6.881 -8.005 42 HG2 PRO 6 HG2 PRO 6 57.435 -8.612 -6.169 43 HG3 PRO 6 HG1 PRO 6 55.685 -8.377 -6.291 44 HD2 PRO 6 HD2 PRO 6 57.125 -10.538 -7.372 45 HD3 PRO 6 HD1 PRO 6 55.462 -10.081 -7.799 46 H LYS 7 HN LYS 7 59.225 -6.364 -10.074 47 HA LYS 7 HA LYS 7 61.460 -6.884 -8.345 48 HB2 LYS 7 HB2 LYS 7 62.851 -8.084 -10.117 49 HB3 LYS 7 HB1 LYS 7 61.597 -9.056 -9.345 50 HG2 LYS 7 HG2 LYS 7 60.135 -8.835 -11.222 51 HG3 LYS 7 HG1 LYS 7 61.130 -7.565 -11.935 52 HD2 LYS 7 HD2 LYS 7 62.979 -9.194 -12.220 53 HD3 LYS 7 HD1 LYS 7 61.948 -10.462 -11.557 54 HE2 LYS 7 HE2 LYS 7 61.905 -10.532 -14.012 55 HE3 LYS 7 HE1 LYS 7 60.320 -10.079 -13.386 56 HZ1 LYS 7 HZ1 LYS 7 61.815 -7.746 -13.693 57 HZ2 LYS 7 HZ2 LYS 7 60.438 -8.228 -14.563 58 HZ3 LYS 7 HZ3 LYS 7 61.988 -8.639 -15.125 59 H ALA 8 HN ALA 8 59.966 -5.434 -11.042 60 HA ALA 8 HA ALA 8 61.694 -3.157 -10.999 61 HB1 ALA 8 HB1 ALA 8 63.389 -4.404 -12.086 62 HB2 ALA 8 HB2 ALA 8 62.591 -3.536 -13.397 63 HB3 ALA 8 HB3 ALA 8 62.229 -5.239 -13.119 64 H GLU 9 HN GLU 9 60.666 -1.468 -12.050 65 HA GLU 9 HA GLU 9 58.538 -2.122 -14.029 66 HB2 GLU 9 HB2 GLU 9 58.111 -0.247 -11.685 67 HB3 GLU 9 HB1 GLU 9 56.920 -0.714 -12.899 68 HG2 GLU 9 HG2 GLU 9 58.250 -2.585 -10.915 69 HG3 GLU 9 HG1 GLU 9 56.588 -2.001 -10.826 70 H1U RCY 10 H1U RCY 10 62.847 5.047 -13.018 71 H1S RCY 10 H1S RCY 10 62.846 3.757 -16.877 72 HB1 RCY 10 HB1 RCY 10 61.547 -0.433 -17.241 73 HB2 RCY 10 HB2 RCY 10 62.783 0.147 -16.126 74 HA RCY 10 HA RCY 10 61.219 1.570 -14.995 75 HN1 RCY 10 HN1 RCY 10 60.585 -1.220 -15.209 76 H ARG 11 HN ARG 11 58.992 2.448 -14.849 77 HA ARG 11 HA ARG 11 58.090 3.449 -17.414 78 HE ARG 11 HE ARG 11 57.002 -0.990 -16.620 79 HB2 ARG 11 HB2 ARG 11 55.814 2.448 -17.322 80 HB3 ARG 11 HB1 ARG 11 57.066 1.225 -17.547 81 HG2 ARG 11 HG2 ARG 11 57.053 0.852 -15.060 82 HG3 ARG 11 HG1 ARG 11 55.667 1.938 -14.955 83 HD2 ARG 11 HD2 ARG 11 54.837 -0.338 -15.057 84 HD3 ARG 11 HD1 ARG 11 54.462 0.455 -16.587 85 HH11 ARG 11 HH21 ARG 11 53.579 -1.101 -17.017 86 HH12 ARG 11 HH22 ARG 11 53.612 -2.478 -18.066 87 HH21 ARG 11 HH11 ARG 11 57.065 -2.787 -17.989 88 HH22 ARG 11 HH12 ARG 11 55.585 -3.433 -18.617 89 H SER 12 HN SER 12 58.911 4.587 -14.912 90 HA SER 12 HA SER 12 56.690 6.406 -14.478 91 HG SER 12 HG SER 12 56.819 6.976 -12.081 92 HB2 SER 12 HB2 SER 12 55.831 4.685 -13.042 93 HB3 SER 12 HB1 SER 12 57.418 4.393 -12.336 94 H ALA 13 HN ALA 13 59.723 6.143 -14.996 95 HA ALA 13 HA ALA 13 61.014 7.407 -12.733 96 HB1 ALA 13 HB1 ALA 13 62.923 7.641 -14.185 97 HB2 ALA 13 HB2 ALA 13 61.919 7.461 -15.624 98 HB3 ALA 13 HB3 ALA 13 62.182 6.084 -14.555 99 H THR 14 HN THR 14 62.046 9.642 -12.991 100 HA THR 14 HA THR 14 60.766 11.535 -14.786 101 HB THR 14 HB THR 14 60.148 11.960 -11.863 102 HG1 THR 14 HG1 THR 14 58.149 11.038 -13.531 103 HG21 THR 14 HG21 THR 14 58.624 13.573 -12.662 104 HG22 THR 14 HG22 THR 14 58.611 12.884 -14.286 105 HG23 THR 14 HG23 THR 14 60.027 13.766 -13.713 106 H ARG 15 HN ARG 15 61.172 13.437 -12.256 107 HA ARG 15 HA ARG 15 63.851 14.246 -13.043 108 HE ARG 15 HE ARG 15 62.222 18.083 -10.303 109 HB2 ARG 15 HB2 ARG 15 63.593 15.949 -11.255 110 HB3 ARG 15 HB1 ARG 15 62.195 15.912 -12.329 111 HG2 ARG 15 HG2 ARG 15 61.172 14.256 -10.627 112 HG3 ARG 15 HG1 ARG 15 62.432 14.816 -9.528 113 HD2 ARG 15 HD2 ARG 15 60.453 16.624 -10.945 114 HD3 ARG 15 HD1 ARG 15 60.312 16.100 -9.267 115 HH11 ARG 15 HH21 ARG 15 61.268 15.905 -7.807 116 HH12 ARG 15 HH22 ARG 15 62.168 16.718 -6.570 117 HH21 ARG 15 HH11 ARG 15 63.403 19.158 -8.703 118 HH22 ARG 15 HH12 ARG 15 63.376 18.560 -7.077 119 H VAL 16 HN VAL 16 63.218 11.555 -11.608 120 HA VAL 16 HA VAL 16 64.205 10.226 -9.933 121 HB VAL 16 HB VAL 16 66.591 12.015 -10.466 122 HG11 VAL 16 HG11 VAL 16 66.337 9.094 -9.686 123 HG12 VAL 16 HG12 VAL 16 66.823 10.403 -8.608 124 HG13 VAL 16 HG13 VAL 16 67.852 9.953 -9.968 125 HG21 VAL 16 HG21 VAL 16 65.557 11.250 -12.589 126 HG22 VAL 16 HG22 VAL 16 65.629 9.585 -12.011 127 HG23 VAL 16 HG23 VAL 16 67.119 10.478 -12.315 128 H MET 17 HN MET 17 62.775 11.335 -8.308 129 HA MET 17 HA MET 17 64.332 12.222 -6.051 130 HB2 MET 17 HB2 MET 17 64.258 14.301 -7.532 131 HB3 MET 17 HB1 MET 17 62.521 14.340 -7.232 132 HG2 MET 17 HG2 MET 17 62.825 14.663 -4.894 133 HG3 MET 17 HG1 MET 17 64.530 14.223 -4.978 134 HE1 MET 17 HE1 MET 17 65.252 16.381 -3.647 135 HE2 MET 17 HE2 MET 17 63.519 16.645 -3.472 136 HE3 MET 17 HE3 MET 17 64.560 17.975 -3.972 137 H GLY 18 HN GLY 18 62.851 12.789 -4.187 138 HA2 GLY 18 HA2 GLY 18 60.080 12.628 -4.134 139 HA3 GLY 18 HA1 GLY 18 60.608 10.944 -4.141 140 H GLY 19 HN GLY 19 59.507 13.046 -2.032 141 HA2 GLY 19 HA2 GLY 19 59.627 13.050 0.326 142 HA3 GLY 19 HA1 GLY 19 60.881 11.813 0.220 143 HA PRO 20 HA PRO 20 62.827 16.342 -0.608 144 HB2 PRO 20 HB2 PRO 20 61.032 17.580 1.453 145 HB3 PRO 20 HB1 PRO 20 61.738 18.302 -0.008 146 HG2 PRO 20 HG2 PRO 20 59.186 17.562 0.075 147 HG3 PRO 20 HG1 PRO 20 60.158 17.363 -1.393 148 HD2 PRO 20 HD2 PRO 20 59.210 15.289 0.529 149 HD3 PRO 20 HD1 PRO 20 59.552 15.146 -1.209 150 H1U RCY 21 H1U RCY 21 66.917 7.242 -0.260 151 H1S RCY 21 H1S RCY 21 65.945 11.318 0.341 152 HB1 RCY 21 HB1 RCY 21 66.245 13.440 3.338 153 HB2 RCY 21 HB2 RCY 21 66.532 13.870 1.652 154 HA RCY 21 HA RCY 21 64.359 14.910 3.487 155 HN1 RCY 21 HN1 RCY 21 64.296 14.780 0.564 156 H THR 22 HN THR 22 66.385 15.673 4.618 157 HA THR 22 HA THR 22 67.840 17.816 3.151 158 HB THR 22 HB THR 22 66.561 18.285 5.855 159 HG1 THR 22 HG1 THR 22 65.691 18.801 3.229 160 HG21 THR 22 HG21 THR 22 67.146 20.619 5.402 161 HG22 THR 22 HG22 THR 22 67.802 20.168 3.829 162 HG23 THR 22 HG23 THR 22 68.589 19.609 5.305 163 HA PRO 23 HA PRO 23 70.827 15.220 5.507 164 HB2 PRO 23 HB2 PRO 23 72.665 16.938 3.899 165 HB3 PRO 23 HB1 PRO 23 72.672 15.178 4.121 166 HG2 PRO 23 HG2 PRO 23 71.837 16.294 1.852 167 HG3 PRO 23 HG1 PRO 23 71.069 14.837 2.507 168 HD2 PRO 23 HD2 PRO 23 70.063 17.657 2.501 169 HD3 PRO 23 HD1 PRO 23 69.153 16.134 2.386 170 H ARG 24 HN ARG 24 73.182 16.236 6.375 171 HA ARG 24 HA ARG 24 73.071 18.961 7.297 172 HE ARG 24 HE ARG 24 71.206 17.363 11.351 173 HB2 ARG 24 HB2 ARG 24 71.260 17.924 8.702 174 HB3 ARG 24 HB1 ARG 24 72.474 16.853 9.397 175 HG2 ARG 24 HG2 ARG 24 73.424 18.518 10.651 176 HG3 ARG 24 HG1 ARG 24 73.148 19.744 9.413 177 HD2 ARG 24 HD2 ARG 24 71.765 20.076 11.489 178 HD3 ARG 24 HD1 ARG 24 70.808 19.915 10.016 179 HH11 ARG 24 HH21 ARG 24 69.409 20.304 11.249 180 HH12 ARG 24 HH22 ARG 24 67.995 19.621 11.978 181 HH21 ARG 24 HH11 ARG 24 69.369 16.454 12.304 182 HH22 ARG 24 HH12 ARG 24 67.972 17.441 12.576 183 H LYS 25 HN LYS 25 74.160 16.628 9.633 184 HA LYS 25 HA LYS 25 76.851 16.420 8.471 185 HB2 LYS 25 HB2 LYS 25 77.981 17.555 10.304 186 HB3 LYS 25 HB1 LYS 25 76.823 18.666 9.575 187 HG2 LYS 25 HG2 LYS 25 76.110 18.975 11.717 188 HG3 LYS 25 HG1 LYS 25 75.266 17.445 11.470 189 HD2 LYS 25 HD2 LYS 25 76.457 17.039 13.446 190 HD3 LYS 25 HD1 LYS 25 77.532 16.369 12.218 191 HE2 LYS 25 HE2 LYS 25 78.977 17.694 13.518 192 HE3 LYS 25 HE1 LYS 25 78.581 18.750 12.163 193 HZ1 LYS 25 HZ1 LYS 25 77.476 20.149 13.481 194 HZ2 LYS 25 HZ2 LYS 25 78.284 19.387 14.767 195 HZ3 LYS 25 HZ3 LYS 25 76.711 18.905 14.344 196 H GLY 26 HN GLY 26 78.303 15.185 10.110 197 HA2 GLY 26 HA2 GLY 26 76.939 13.671 12.189 198 HA3 GLY 26 HA1 GLY 26 77.248 12.705 10.746 199 HA PRO 27 HA PRO 27 81.024 12.727 13.562 200 HB2 PRO 27 HB2 PRO 27 80.818 9.795 13.366 201 HB3 PRO 27 HB1 PRO 27 80.898 10.816 14.812 202 HG2 PRO 27 HG2 PRO 27 78.669 9.498 14.056 203 HG3 PRO 27 HG1 PRO 27 78.638 11.027 14.949 204 HD2 PRO 27 HD2 PRO 27 78.128 10.536 12.036 205 HD3 PRO 27 HD1 PRO 27 77.360 11.705 13.135 206 HA PRO 28 HA PRO 28 84.171 11.954 10.551 207 HB2 PRO 28 HB2 PRO 28 85.083 9.536 12.068 208 HB3 PRO 28 HB1 PRO 28 86.026 10.921 11.481 209 HG2 PRO 28 HG2 PRO 28 85.362 10.677 14.049 210 HG3 PRO 28 HG1 PRO 28 85.413 12.257 13.249 211 HD2 PRO 28 HD2 PRO 28 83.045 10.657 14.098 212 HD3 PRO 28 HD1 PRO 28 83.219 12.418 13.933 213 H LYS 29 HN LYS 29 84.919 10.355 8.878 214 HA LYS 29 HA LYS 29 82.866 9.017 7.569 215 HB2 LYS 29 HB2 LYS 29 85.846 8.550 7.614 216 HB3 LYS 29 HB1 LYS 29 84.793 7.524 6.639 217 HG2 LYS 29 HG2 LYS 29 85.600 9.377 5.270 218 HG3 LYS 29 HG1 LYS 29 83.869 9.571 5.549 219 HD2 LYS 29 HD2 LYS 29 84.217 11.257 7.193 220 HD3 LYS 29 HD1 LYS 29 85.936 10.882 7.322 221 HE2 LYS 29 HE2 LYS 29 84.557 12.044 4.883 222 HE3 LYS 29 HE1 LYS 29 85.598 12.930 5.997 223 HZ1 LYS 29 HZ1 LYS 29 86.371 10.665 4.244 224 HZ2 LYS 29 HZ2 LYS 29 87.380 11.324 5.441 225 HZ3 LYS 29 HZ3 LYS 29 86.888 12.276 4.123 226 H1U RCY 30 H1U RCY 30 78.106 2.067 9.259 227 H1S RCY 30 H1S RCY 30 81.545 3.408 11.217 228 HB1 RCY 30 HB1 RCY 30 85.527 4.894 10.429 229 HB2 RCY 30 HB2 RCY 30 84.383 4.964 9.089 230 HA RCY 30 HA RCY 30 82.699 5.836 10.876 231 HN1 RCY 30 HN1 RCY 30 84.528 8.016 10.438 232 H LYS 31 HN LYS 31 82.518 5.850 13.069 233 HA LYS 31 HA LYS 31 84.817 5.626 14.799 234 HB2 LYS 31 HB2 LYS 31 84.971 8.043 14.199 235 HB3 LYS 31 HB1 LYS 31 83.351 8.283 14.851 236 HG2 LYS 31 HG2 LYS 31 85.228 6.890 16.665 237 HG3 LYS 31 HG1 LYS 31 85.635 8.571 16.321 238 HD2 LYS 31 HD2 LYS 31 82.799 7.877 17.003 239 HD3 LYS 31 HD1 LYS 31 83.988 7.990 18.302 240 HE2 LYS 31 HE2 LYS 31 83.749 10.176 16.242 241 HE3 LYS 31 HE1 LYS 31 82.685 10.142 17.647 242 HZ1 LYS 31 HZ1 LYS 31 84.350 11.221 18.644 243 HZ2 LYS 31 HZ2 LYS 31 85.497 10.759 17.480 244 HZ3 LYS 31 HZ3 LYS 31 85.096 9.701 18.748 245 H GLN 32 HN GLN 32 81.477 5.690 14.181 246 HA GLN 32 HA GLN 32 80.616 5.583 16.972 247 HB2 GLN 32 HB2 GLN 32 79.229 6.376 14.937 248 HB3 GLN 32 HB1 GLN 32 78.982 4.662 14.611 249 HG2 GLN 32 HG2 GLN 32 77.131 5.280 15.958 250 HG3 GLN 32 HG1 GLN 32 78.241 4.481 17.072 251 HE21 GLN 32 HE21 GLN 32 79.235 5.765 18.730 252 HE22 GLN 32 HE22 GLN 32 78.842 7.396 18.985 253 H ARG 33 HN ARG 33 79.957 3.188 14.455 254 HA ARG 33 HA ARG 33 80.233 0.858 14.445 255 HE ARG 33 HE ARG 33 83.584 -2.964 16.716 256 HB2 ARG 33 HB2 ARG 33 82.517 1.577 15.489 257 HB3 ARG 33 HB1 ARG 33 81.814 1.008 17.001 258 HG2 ARG 33 HG2 ARG 33 81.342 -1.181 15.949 259 HG3 ARG 33 HG1 ARG 33 82.076 -0.611 14.449 260 HD2 ARG 33 HD2 ARG 33 84.232 -0.412 15.474 261 HD3 ARG 33 HD1 ARG 33 83.557 -0.633 17.088 262 HH11 ARG 33 HH21 ARG 33 83.862 -1.171 13.784 263 HH12 ARG 33 HH22 ARG 33 84.169 -2.565 12.804 264 HH21 ARG 33 HH11 ARG 33 83.983 -4.796 15.453 265 HH22 ARG 33 HH12 ARG 33 84.237 -4.618 13.749 266 H GLN 34 HN GLN 34 78.128 0.329 14.887 267 HA GLN 34 HA GLN 34 77.536 -0.983 17.353 268 HB2 GLN 34 HB2 GLN 34 76.001 0.481 18.416 269 HB3 GLN 34 HB1 GLN 34 77.367 1.512 18.005 270 HG2 GLN 34 HG2 GLN 34 74.763 1.249 16.473 271 HG3 GLN 34 HG1 GLN 34 75.339 2.668 17.349 272 HE21 GLN 34 HE21 GLN 34 78.073 2.654 16.489 273 HE22 GLN 34 HE22 GLN 34 78.111 2.973 14.822 274 H THR 35 HN THR 35 77.279 -0.857 14.274 275 HA THR 35 HA THR 35 74.699 -0.833 13.327 276 HB THR 35 HB THR 35 76.545 -3.121 12.647 277 HG1 THR 35 HG1 THR 35 77.959 -1.551 12.437 278 HG21 THR 35 HG21 THR 35 75.643 -2.702 10.385 279 HG22 THR 35 HG22 THR 35 74.678 -1.371 11.022 280 HG23 THR 35 HG23 THR 35 74.350 -3.024 11.540 281 H ARG 36 HN ARG 36 73.147 -2.555 12.986 282 HA ARG 36 HA ARG 36 72.749 -4.162 15.421 283 HE ARG 36 HE ARG 36 69.351 -4.482 16.680 284 HB2 ARG 36 HB2 ARG 36 70.817 -2.991 14.585 285 HB3 ARG 36 HB1 ARG 36 71.057 -3.638 12.963 286 HG2 ARG 36 HG2 ARG 36 70.342 -5.785 13.569 287 HG3 ARG 36 HG1 ARG 36 70.675 -5.518 15.281 288 HD2 ARG 36 HD2 ARG 36 68.660 -3.720 14.041 289 HD3 ARG 36 HD1 ARG 36 68.182 -5.406 14.242 290 HH11 ARG 36 HH21 ARG 36 66.598 -4.096 14.641 291 HH12 ARG 36 HH22 ARG 36 65.529 -3.680 15.939 292 HH21 ARG 36 HH11 ARG 36 67.971 -3.941 18.387 293 HH22 ARG 36 HH12 ARG 36 66.306 -3.592 18.059 294 H GLN 37 HN GLN 37 74.539 -4.618 12.749 295 HA GLN 37 HA GLN 37 75.595 -6.600 12.010 296 HB2 GLN 37 HB2 GLN 37 74.568 -7.525 14.293 297 HB3 GLN 37 HB1 GLN 37 73.469 -8.355 13.193 298 HG2 GLN 37 HG2 GLN 37 75.567 -9.108 11.918 299 HG3 GLN 37 HG1 GLN 37 76.481 -8.566 13.326 300 HE21 GLN 37 HE21 GLN 37 74.644 -11.182 12.046 301 HE22 GLN 37 HE22 GLN 37 74.545 -12.102 13.469 302 H1U RCY 38 H1U RCY 38 76.184 -4.556 2.281 303 H1S RCY 38 H1S RCY 38 72.662 -4.876 4.322 304 HB1 RCY 38 HB1 RCY 38 74.103 -4.910 7.671 305 HB2 RCY 38 HB2 RCY 38 72.612 -4.576 8.551 306 HA RCY 38 HA RCY 38 72.303 -7.004 8.928 307 HN1 RCY 38 HN1 RCY 38 74.795 -5.744 9.951 308 H LYS 39 HN LYS 39 72.707 -9.046 8.194 309 HA LYS 39 HA LYS 39 73.675 -10.791 6.969 310 HB2 LYS 39 HB2 LYS 39 74.738 -8.488 5.302 311 HB3 LYS 39 HB1 LYS 39 74.659 -10.175 4.797 312 HG2 LYS 39 HG2 LYS 39 72.151 -8.856 5.770 313 HG3 LYS 39 HG1 LYS 39 72.723 -8.485 4.143 314 HD2 LYS 39 HD2 LYS 39 72.641 -10.790 3.492 315 HD3 LYS 39 HD1 LYS 39 72.388 -11.317 5.156 316 HE2 LYS 39 HE2 LYS 39 70.452 -9.544 3.643 317 HE3 LYS 39 HE1 LYS 39 70.290 -11.297 3.759 318 HZ1 LYS 39 HZ1 LYS 39 70.428 -10.943 6.248 319 HZ2 LYS 39 HZ2 LYS 39 68.993 -10.447 5.486 320 HZ3 LYS 39 HZ3 LYS 39 70.162 -9.297 5.934 321 H SER 40 HN SER 40 75.409 -12.006 7.526 322 HA SER 40 HA SER 40 78.108 -10.838 7.561 323 HG SER 40 HG SER 40 76.478 -11.786 11.136 324 HB2 SER 40 HB2 SER 40 78.520 -11.538 9.922 325 HB3 SER 40 HB1 SER 40 77.332 -10.244 9.798 326 H LYS 41 HN LYS 41 75.963 -13.414 7.218 327 HA LYS 41 HA LYS 41 77.921 -15.549 7.684 328 HB2 LYS 41 HB2 LYS 41 75.325 -15.882 6.186 329 HB3 LYS 41 HB1 LYS 41 76.164 -17.047 7.210 330 HG2 LYS 41 HG2 LYS 41 74.757 -14.525 8.132 331 HG3 LYS 41 HG1 LYS 41 74.230 -16.185 8.415 332 HD2 LYS 41 HD2 LYS 41 76.457 -16.558 9.597 333 HD3 LYS 41 HD1 LYS 41 76.686 -14.810 9.527 334 HE2 LYS 41 HE2 LYS 41 74.380 -14.618 10.631 335 HE3 LYS 41 HE1 LYS 41 74.512 -16.346 10.960 336 HZ1 LYS 41 HZ1 LYS 41 76.820 -14.726 11.662 337 HZ2 LYS 41 HZ2 LYS 41 76.109 -16.026 12.492 338 HZ3 LYS 41 HZ3 LYS 41 75.429 -14.473 12.600 339 HA PRO 42 HA PRO 42 80.064 -15.746 3.825 340 HB2 PRO 42 HB2 PRO 42 78.808 -18.465 3.577 341 HB3 PRO 42 HB1 PRO 42 80.496 -17.983 3.319 342 HG2 PRO 42 HG2 PRO 42 79.676 -19.186 5.572 343 HG3 PRO 42 HG1 PRO 42 80.981 -17.991 5.553 344 HD2 PRO 42 HD2 PRO 42 78.269 -17.749 6.679 345 HD3 PRO 42 HD1 PRO 42 79.706 -16.751 6.987 346 HA PRO 43 HA PRO 43 77.052 -14.687 0.744 347 HB2 PRO 43 HB2 PRO 43 78.432 -15.256 -1.567 348 HB3 PRO 43 HB1 PRO 43 78.749 -13.832 -0.558 349 HG2 PRO 43 HG2 PRO 43 80.220 -16.414 -0.692 350 HG3 PRO 43 HG1 PRO 43 80.843 -14.764 -0.517 351 HD2 PRO 43 HD2 PRO 43 80.629 -16.491 1.592 352 HD3 PRO 43 HD1 PRO 43 80.487 -14.728 1.774 353 H LYS 44 HN LYS 44 75.261 -15.859 0.223 354 HA LYS 44 HA LYS 44 75.566 -18.741 -0.431 355 HB2 LYS 44 HB2 LYS 44 73.842 -17.596 1.265 356 HB3 LYS 44 HB1 LYS 44 72.887 -17.419 -0.205 357 HG2 LYS 44 HG2 LYS 44 72.202 -19.529 0.490 358 HG3 LYS 44 HG1 LYS 44 73.552 -19.960 -0.561 359 HD2 LYS 44 HD2 LYS 44 75.051 -20.079 1.378 360 HD3 LYS 44 HD1 LYS 44 73.734 -19.592 2.445 361 HE2 LYS 44 HE2 LYS 44 73.799 -21.956 2.627 362 HE3 LYS 44 HE1 LYS 44 72.465 -21.635 1.519 363 HZ1 LYS 44 HZ1 LYS 44 75.117 -21.944 0.348 364 HZ2 LYS 44 HZ2 LYS 44 73.603 -22.443 -0.240 365 HZ3 LYS 44 HZ3 LYS 44 74.389 -23.347 0.966 366 H LYS 45 HN LYS 45 73.400 -16.148 -1.623 367 HA LYS 45 HA LYS 45 73.449 -17.393 -4.304 368 HB2 LYS 45 HB2 LYS 45 71.959 -14.946 -3.301 369 HB3 LYS 45 HB1 LYS 45 71.704 -15.748 -4.850 370 HG2 LYS 45 HG2 LYS 45 71.501 -17.359 -2.325 371 HG3 LYS 45 HG1 LYS 45 70.149 -16.330 -2.798 372 HD2 LYS 45 HD2 LYS 45 70.127 -17.426 -5.031 373 HD3 LYS 45 HD1 LYS 45 71.421 -18.498 -4.494 374 HE2 LYS 45 HE2 LYS 45 69.966 -19.322 -2.666 375 HE3 LYS 45 HE1 LYS 45 68.667 -18.276 -3.241 376 HZ1 LYS 45 HZ1 LYS 45 68.130 -20.141 -4.370 377 HZ2 LYS 45 HZ2 LYS 45 69.720 -20.740 -4.388 378 HZ3 LYS 45 HZ3 LYS 45 69.253 -19.528 -5.484 379 H GLY 46 HN GLY 46 74.675 -14.560 -2.628 380 HA2 GLY 46 HA2 GLY 46 75.418 -13.070 -4.978 381 HA3 GLY 46 HA1 GLY 46 76.076 -12.822 -3.360 382 H VAL 47 HN VAL 47 76.228 -15.348 -5.903 383 HA VAL 47 HA VAL 47 78.953 -16.053 -5.087 384 HB VAL 47 HB VAL 47 78.813 -17.572 -7.114 385 HG11 VAL 47 HG11 VAL 47 78.221 -18.467 -4.956 386 HG12 VAL 47 HG12 VAL 47 76.983 -18.997 -6.095 387 HG13 VAL 47 HG13 VAL 47 76.652 -17.661 -4.992 388 HG21 VAL 47 HG21 VAL 47 75.923 -16.666 -7.177 389 HG22 VAL 47 HG22 VAL 47 76.738 -17.749 -8.306 390 HG23 VAL 47 HG23 VAL 47 77.145 -16.033 -8.280 391 H GLN 48 HN GLN 48 78.192 -13.312 -6.225 392 HA GLN 48 HA GLN 48 80.592 -12.966 -7.817 393 HB2 GLN 48 HB2 GLN 48 78.883 -13.954 -9.448 394 HB3 GLN 48 HB1 GLN 48 77.984 -12.449 -9.258 395 HG2 GLN 48 HG2 GLN 48 79.392 -12.173 -11.186 396 HG3 GLN 48 HG1 GLN 48 80.112 -11.220 -9.888 397 HE21 GLN 48 HE21 GLN 48 82.279 -11.433 -10.825 398 HE22 GLN 48 HE22 GLN 48 83.123 -12.905 -10.757 399 H GLY 49 HN GLY 49 81.259 -10.866 -7.576 400 HA2 GLY 49 HA2 GLY 49 81.104 -8.534 -7.210 401 HA3 GLY 49 HA1 GLY 49 79.347 -8.677 -7.281 402 H1U RCY 50 H1U RCY 50 80.738 -5.803 2.184 403 H1S RCY 50 H1S RCY 50 80.692 -8.454 -1.251 404 HB1 RCY 50 HB1 RCY 50 79.756 -11.711 -2.738 405 HB2 RCY 50 HB2 RCY 50 78.751 -10.382 -3.315 406 HA RCY 50 HA RCY 50 80.820 -8.890 -2.825 407 HN1 RCY 50 HN1 RCY 50 81.411 -10.585 -5.143 408 H GLY 51 HN GLY 51 82.314 -11.666 -4.304 409 HA2 GLY 51 HA2 GLY 51 83.692 -12.671 -1.994 410 HA3 GLY 51 HA1 GLY 51 84.184 -12.939 -3.668 411 H ASP 52 HN ASP 52 84.946 -11.303 -0.791 412 HA ASP 52 HA ASP 52 87.259 -10.035 -2.089 413 HB2 ASP 52 HB2 ASP 52 85.124 -8.405 -0.679 414 HB3 ASP 52 HB1 ASP 52 86.725 -7.792 -1.096 415 H ASP 53 HN ASP 53 88.497 -8.754 -0.228 416 HA ASP 53 HA ASP 53 88.901 -10.690 1.918 417 HB2 ASP 53 HB2 ASP 53 90.116 -7.959 1.396 418 HB3 ASP 53 HB1 ASP 53 90.628 -9.042 2.691 419 H ILE 54 HN ILE 54 86.369 -8.894 1.613 420 HA ILE 54 HA ILE 54 86.201 -8.266 4.512 421 HB ILE 54 HB ILE 54 85.280 -6.293 2.411 422 HG12 ILE 54 HG12 ILE 54 87.864 -6.383 3.999 423 HG13 ILE 54 HG11 ILE 54 87.699 -6.425 2.243 424 HG21 ILE 54 HG21 ILE 54 84.948 -4.821 4.253 425 HG22 ILE 54 HG22 ILE 54 85.869 -5.857 5.344 426 HG23 ILE 54 HG23 ILE 54 84.280 -6.368 4.775 427 HD11 ILE 54 HD11 ILE 54 88.236 -4.170 2.711 428 HD12 ILE 54 HD12 ILE 54 87.176 -4.121 4.119 429 HD13 ILE 54 HD13 ILE 54 86.485 -4.156 2.497 430 HA PRO 55 HA PRO 55 82.369 -10.234 2.839 431 HB2 PRO 55 HB2 PRO 55 82.283 -12.358 4.514 432 HB3 PRO 55 HB1 PRO 55 83.315 -12.343 3.070 433 HG2 PRO 55 HG2 PRO 55 84.049 -11.946 5.918 434 HG3 PRO 55 HG1 PRO 55 84.945 -12.750 4.620 435 HD2 PRO 55 HD2 PRO 55 85.416 -10.144 5.529 436 HD3 PRO 55 HD1 PRO 55 85.968 -10.805 3.975 437 H GLY 56 HN GLY 56 81.657 -8.112 4.004 438 HA2 GLY 56 HA2 GLY 56 80.149 -7.116 5.502 439 HA3 GLY 56 HA1 GLY 56 79.637 -8.748 5.936 440 H MET 57 HN MET 57 81.856 -6.141 6.724 441 HA MET 57 HA MET 57 83.228 -7.572 8.835 442 HB2 MET 57 HB2 MET 57 83.803 -5.301 7.538 443 HB3 MET 57 HB1 MET 57 82.975 -4.590 8.922 444 HG2 MET 57 HG2 MET 57 85.437 -6.344 8.923 445 HG3 MET 57 HG1 MET 57 85.260 -4.713 9.572 446 HE1 MET 57 HE1 MET 57 86.664 -6.650 11.174 447 HE2 MET 57 HE2 MET 57 85.859 -8.126 10.647 448 HE3 MET 57 HE3 MET 57 85.807 -7.660 12.345 449 H GLU 58 HN GLU 58 80.552 -8.092 9.218 450 HA GLU 58 HA GLU 58 78.841 -7.975 10.821 451 HB2 GLU 58 HB2 GLU 58 81.039 -8.376 12.187 452 HB3 GLU 58 HB1 GLU 58 80.841 -6.694 12.677 453 HG2 GLU 58 HG2 GLU 58 78.584 -7.182 13.514 454 HG3 GLU 58 HG1 GLU 58 78.739 -8.858 12.987 455 H GLY 59 HN GLY 59 79.362 -5.622 9.062 456 HA2 GLY 59 HA2 GLY 59 78.098 -3.610 8.856 457 HA3 GLY 59 HA1 GLY 59 77.714 -3.704 10.576 458 H1U RCY 60 H1U RCY 60 76.219 -3.124 5.903 459 H1S RCY 60 H1S RCY 60 80.279 -3.225 7.372 460 HB1 RCY 60 HB1 RCY 60 81.924 0.477 9.392 461 HB2 RCY 60 HB2 RCY 60 80.377 0.434 8.547 462 HA RCY 60 HA RCY 60 81.087 -0.950 11.147 463 HN1 RCY 60 HN1 RCY 60 78.393 -1.265 9.985 464 H GLY 61 HN GLY 61 78.568 -0.421 12.267 465 HA2 GLY 61 HA2 GLY 61 77.648 1.315 13.571 466 HA3 GLY 61 HA1 GLY 61 78.874 2.400 12.915 467 H THR 62 HN THR 62 76.363 0.466 11.266 468 HA THR 62 HA THR 62 74.867 2.891 10.544 469 HB THR 62 HB THR 62 75.124 2.389 8.068 470 HG1 THR 62 HG1 THR 62 76.563 0.948 7.456 471 HG21 THR 62 HG21 THR 62 76.373 4.191 9.418 472 HG22 THR 62 HG22 THR 62 77.063 3.736 7.860 473 HG23 THR 62 HG23 THR 62 77.760 3.105 9.352 474 H ASP 63 HN ASP 63 73.300 1.545 11.732 475 HA ASP 63 HA ASP 63 72.444 -0.997 10.642 476 HB2 ASP 63 HB2 ASP 63 71.966 -0.324 12.985 477 HB3 ASP 63 HB1 ASP 63 70.929 0.973 12.389 478 H ILE 64 HN ILE 64 72.622 1.616 8.987 479 HA ILE 64 HA ILE 64 71.307 2.816 7.449 480 HB ILE 64 HB ILE 64 71.867 0.287 6.662 481 HG12 ILE 64 HG12 ILE 64 71.862 2.313 5.245 482 HG13 ILE 64 HG11 ILE 64 71.059 0.972 4.429 483 HG21 ILE 64 HG21 ILE 64 69.983 -0.961 6.080 484 HG22 ILE 64 HG22 ILE 64 68.923 0.448 6.087 485 HG23 ILE 64 HG23 ILE 64 69.470 -0.252 7.610 486 HD11 ILE 64 HD11 ILE 64 69.718 3.000 4.172 487 HD12 ILE 64 HD12 ILE 64 69.697 3.234 5.920 488 HD13 ILE 64 HD13 ILE 64 68.863 1.855 5.205 489 H THR 65 HN THR 65 70.085 2.438 10.060 490 HA THR 65 HA THR 65 67.191 2.557 9.252 491 HB THR 65 HB THR 65 68.253 1.787 11.988 492 HG1 THR 65 HG1 THR 65 68.105 0.367 9.702 493 HG21 THR 65 HG21 THR 65 66.004 2.637 12.074 494 HG22 THR 65 HG22 THR 65 65.900 0.880 12.182 495 HG23 THR 65 HG23 THR 65 65.535 1.693 10.660 496 H VAL 66 HN VAL 66 69.884 3.990 10.863 497 HA VAL 66 HA VAL 66 68.390 6.512 11.149 498 HB VAL 66 HB VAL 66 69.515 6.625 13.559 499 HG11 VAL 66 HG11 VAL 66 67.386 5.902 14.521 500 HG12 VAL 66 HG12 VAL 66 66.986 5.031 13.040 501 HG13 VAL 66 HG13 VAL 66 67.083 6.792 13.028 502 HG21 VAL 66 HG21 VAL 66 68.880 3.674 13.346 503 HG22 VAL 66 HG22 VAL 66 69.671 4.521 14.676 504 HG23 VAL 66 HG23 VAL 66 70.518 4.298 13.145 505 H ILE 67 HN ILE 67 71.249 4.688 10.677 506 HA ILE 67 HA ILE 67 72.777 7.238 10.356 507 HB ILE 67 HB ILE 67 73.917 4.706 11.574 508 HG12 ILE 67 HG12 ILE 67 73.206 7.344 12.898 509 HG13 ILE 67 HG11 ILE 67 72.288 5.848 13.075 510 HG21 ILE 67 HG21 ILE 67 75.874 6.100 12.006 511 HG22 ILE 67 HG22 ILE 67 75.054 7.508 11.331 512 HG23 ILE 67 HG23 ILE 67 75.491 6.157 10.285 513 HD11 ILE 67 HD11 ILE 67 73.724 5.920 14.972 514 HD12 ILE 67 HD12 ILE 67 75.107 6.423 14.000 515 HD13 ILE 67 HD13 ILE 67 74.484 4.778 13.863 516 H1U RCY 68 H1U RCY 68 71.962 2.211 0.233 517 H1S RCY 68 H1S RCY 68 74.361 4.563 3.109 518 HB1 RCY 68 HB1 RCY 68 71.837 6.928 5.940 519 HB2 RCY 68 HB2 RCY 68 71.608 5.207 5.637 520 HA RCY 68 HA RCY 68 73.534 4.612 6.774 521 HN1 RCY 68 HN1 RCY 68 72.505 7.066 8.085 522 HA PRO 69 HA PRO 69 77.646 6.074 6.039 523 HB2 PRO 69 HB2 PRO 69 77.017 5.483 3.166 524 HB3 PRO 69 HB1 PRO 69 78.433 5.014 4.127 525 HG2 PRO 69 HG2 PRO 69 76.432 3.307 3.586 526 HG3 PRO 69 HG1 PRO 69 77.363 3.240 5.089 527 HD2 PRO 69 HD2 PRO 69 74.556 4.053 4.682 528 HD3 PRO 69 HD1 PRO 69 75.380 3.564 6.179 529 H TRP 70 HN TRP 70 75.116 7.160 3.782 530 HA TRP 70 HA TRP 70 76.511 9.391 2.711 531 HD1 TRP 70 HD1 TRP 70 76.265 11.306 1.879 532 HE1 TRP 70 HE1 TRP 70 75.203 13.451 0.925 533 HE3 TRP 70 HE3 TRP 70 71.337 9.974 1.988 534 HZ2 TRP 70 HZ2 TRP 70 72.603 14.471 0.289 535 HZ3 TRP 70 HZ3 TRP 70 69.592 11.546 1.205 536 HH2 TRP 70 HH2 TRP 70 70.215 13.790 0.357 537 HB2 TRP 70 HB2 TRP 70 74.425 8.541 1.736 538 HB3 TRP 70 HB1 TRP 70 73.537 9.027 3.177 539 H GLU 71 HN GLU 71 75.228 8.885 5.860 540 HA GLU 71 HA GLU 71 74.852 11.726 6.470 541 HB2 GLU 71 HB2 GLU 71 74.862 9.213 8.154 542 HB3 GLU 71 HB1 GLU 71 74.697 10.821 8.858 543 HG2 GLU 71 HG2 GLU 71 72.746 11.220 7.323 544 HG3 GLU 71 HG1 GLU 71 72.860 9.533 6.821 545 H ALA 72 HN ALA 72 77.167 9.212 7.552 546 HA ALA 72 HA ALA 72 78.903 11.152 8.822 547 HB1 ALA 72 HB1 ALA 72 79.244 8.251 8.039 548 HB2 ALA 72 HB2 ALA 72 79.025 8.922 9.655 549 HB3 ALA 72 HB3 ALA 72 80.542 9.178 8.792 550 H1U RCY 73 H1U RCY 73 75.818 6.237 4.423 551 H1S RCY 73 H1S RCY 73 79.403 7.271 2.848 552 HB1 RCY 73 HB1 RCY 73 80.724 9.853 2.574 553 HB2 RCY 73 HB2 RCY 73 79.233 9.272 3.317 554 HA RCY 73 HA RCY 73 81.399 10.735 4.849 555 HN1 RCY 73 HN1 RCY 73 78.842 9.563 5.652 556 H ASN 74 HN ASN 74 78.174 11.824 5.028 557 HA ASN 74 HA ASN 74 77.037 13.622 3.990 558 HB2 ASN 74 HB2 ASN 74 78.427 15.732 4.112 559 HB3 ASN 74 HB1 ASN 74 78.361 14.813 5.615 560 HD21 ASN 74 HD21 ASN 74 80.319 13.805 6.369 561 HD22 ASN 74 HD22 ASN 74 81.820 14.055 5.619 562 H HIS 75 HN HIS 75 79.394 15.456 2.613 563 HA HIS 75 HA HIS 75 78.518 15.131 -0.044 564 HD1 HIS 75 HD1 HIS 75 78.392 16.370 -1.647 565 HD2 HIS 75 HD2 HIS 75 82.517 16.984 -1.587 566 HE1 HIS 75 HE1 HIS 75 79.047 17.062 -3.994 567 HE2 HIS 75 HE2 HIS 75 81.555 17.439 -3.971 568 HB2 HIS 75 HB2 HIS 75 79.976 17.000 0.919 569 HB3 HIS 75 HB1 HIS 75 81.345 15.909 0.704 570 H1U RCY 76 H1U RCY 76 74.326 6.934 -2.747 571 H1S RCY 76 H1S RCY 76 76.764 10.142 -3.463 572 HB1 RCY 76 HB1 RCY 76 79.753 10.710 -0.584 573 HB2 RCY 76 HB2 RCY 76 80.091 10.174 -2.229 574 HA RCY 76 HA RCY 76 81.591 12.039 -1.329 575 HN1 RCY 76 HN1 RCY 76 79.472 14.012 -1.851 576 H GLU 77 HN GLU 77 82.859 12.179 -3.107 577 HA GLU 77 HA GLU 77 82.013 13.476 -5.527 578 HB2 GLU 77 HB2 GLU 77 84.393 11.652 -5.063 579 HB3 GLU 77 HB1 GLU 77 84.188 12.754 -6.426 580 HG2 GLU 77 HG2 GLU 77 84.199 14.677 -4.940 581 HG3 GLU 77 HG1 GLU 77 84.236 13.627 -3.523 582 H LEU 78 HN LEU 78 81.083 12.633 -7.343 583 HA LEU 78 HA LEU 78 80.014 9.959 -7.309 584 HG LEU 78 HG LEU 78 79.678 9.377 -10.045 585 HB2 LEU 78 HB2 LEU 78 78.996 11.909 -8.532 586 HB3 LEU 78 HB1 LEU 78 80.328 11.825 -9.681 587 HD11 LEU 78 HD11 LEU 78 77.370 10.367 -8.374 588 HD12 LEU 78 HD12 LEU 78 78.297 8.877 -8.197 589 HD13 LEU 78 HD13 LEU 78 77.157 9.052 -9.530 590 HD21 LEU 78 HD21 LEU 78 77.722 10.025 -11.513 591 HD22 LEU 78 HD22 LEU 78 79.157 11.026 -11.733 592 HD23 LEU 78 HD23 LEU 78 77.795 11.633 -10.791 593 H HIS 79 HN HIS 79 83.019 11.324 -8.367 594 HA HIS 79 HA HIS 79 83.898 8.627 -9.235 595 HD1 HIS 79 HD1 HIS 79 81.292 10.242 -10.871 596 HD2 HIS 79 HD2 HIS 79 84.047 7.774 -12.800 597 HE1 HIS 79 HE1 HIS 79 79.945 8.667 -12.328 598 HE2 HIS 79 HE2 HIS 79 81.610 7.159 -13.507 599 HB2 HIS 79 HB2 HIS 79 83.915 11.111 -10.952 600 HB3 HIS 79 HB1 HIS 79 85.069 9.805 -11.224 601 H GLU 80 HN GLU 80 85.829 8.217 -8.299 602 HA GLU 80 HA GLU 80 87.857 10.323 -8.037 603 HB2 GLU 80 HB2 GLU 80 86.305 10.488 -5.995 604 HB3 GLU 80 HB1 GLU 80 86.940 8.912 -5.521 605 HG2 GLU 80 HG2 GLU 80 88.708 11.293 -6.132 606 HG3 GLU 80 HG1 GLU 80 88.156 10.892 -4.506 607 H LEU 81 HN LEU 81 87.262 7.253 -6.309 608 HA LEU 81 HA LEU 81 89.925 6.313 -7.166 609 HG LEU 81 HG LEU 81 87.420 3.847 -6.215 610 HB2 LEU 81 HB2 LEU 81 89.680 4.590 -5.540 611 HB3 LEU 81 HB1 LEU 81 88.986 6.030 -4.800 612 HD11 LEU 81 HD11 LEU 81 88.355 3.219 -3.981 613 HD12 LEU 81 HD12 LEU 81 86.592 3.286 -3.991 614 HD13 LEU 81 HD13 LEU 81 87.520 4.606 -3.279 615 HD21 LEU 81 HD21 LEU 81 85.493 5.157 -5.084 616 HD22 LEU 81 HD22 LEU 81 86.215 5.863 -6.530 617 HD23 LEU 81 HD23 LEU 81 86.656 6.474 -4.936 618 H ALA 82 HN ALA 82 86.737 6.129 -8.286 619 HA ALA 82 HA ALA 82 86.670 3.457 -9.328 620 HB1 ALA 82 HB1 ALA 82 85.336 5.935 -10.463 621 HB2 ALA 82 HB2 ALA 82 84.674 4.954 -9.155 622 HB3 ALA 82 HB3 ALA 82 84.869 4.262 -10.765 623 H GLN 83 HN GLN 83 86.790 2.959 -11.725 624 HA GLN 83 HA GLN 83 88.375 4.721 -13.417 625 HB2 GLN 83 HB2 GLN 83 90.068 3.701 -11.816 626 HB3 GLN 83 HB1 GLN 83 89.690 2.139 -12.543 627 HG2 GLN 83 HG2 GLN 83 91.595 2.973 -13.728 628 HG3 GLN 83 HG1 GLN 83 90.213 3.206 -14.799 629 HE21 GLN 83 HE21 GLN 83 92.523 4.897 -12.705 630 HE22 GLN 83 HE22 GLN 83 92.148 6.457 -13.258 631 H TYR 84 HN TYR 84 87.226 1.406 -12.815 632 HA TYR 84 HA TYR 84 85.947 1.324 -15.420 633 HD1 TYR 84 HD2 TYR 84 85.348 -0.817 -16.569 634 HD2 TYR 84 HD1 TYR 84 89.124 0.799 -17.827 635 HE1 TYR 84 HE2 TYR 84 84.633 -0.990 -18.937 636 HE2 TYR 84 HE1 TYR 84 88.409 0.625 -20.195 637 HH TYR 84 HH TYR 84 85.827 0.587 -21.336 638 HB2 TYR 84 HB2 TYR 84 88.605 0.718 -15.536 639 HB3 TYR 84 HB1 TYR 84 87.933 -0.878 -15.217 640 H GLY 85 HN GLY 85 84.966 0.993 -12.816 641 HA2 GLY 85 HA2 GLY 85 83.526 -0.453 -11.659 642 HA3 GLY 85 HA1 GLY 85 83.606 -1.530 -13.053 643 H ILE 86 HN ILE 86 85.901 -0.420 -10.521 644 HA ILE 86 HA ILE 86 87.320 -2.943 -10.552 645 HB ILE 86 HB ILE 86 88.241 -0.665 -9.820 646 HG12 ILE 86 HG12 ILE 86 88.640 -2.791 -7.716 647 HG13 ILE 86 HG11 ILE 86 89.222 -3.027 -9.365 648 HG21 ILE 86 HG21 ILE 86 86.163 -0.390 -8.256 649 HG22 ILE 86 HG22 ILE 86 87.735 0.175 -7.689 650 HG23 ILE 86 HG23 ILE 86 87.097 -1.371 -7.127 651 HD11 ILE 86 HD11 ILE 86 90.904 -2.010 -7.739 652 HD12 ILE 86 HD12 ILE 86 89.891 -0.566 -7.738 653 HD13 ILE 86 HD13 ILE 86 90.648 -1.111 -9.235 654 H1U RCY 87 H1U RCY 87 78.450 -3.408 -2.929 655 H1S RCY 87 H1S RCY 87 82.111 -3.925 -5.955 656 HB1 RCY 87 HB1 RCY 87 82.617 -4.919 -9.778 657 HB2 RCY 87 HB2 RCY 87 82.074 -3.354 -9.192 658 HA RCY 87 HA RCY 87 83.739 -3.531 -7.330 659 HN1 RCY 87 HN1 RCY 87 84.355 -2.953 -10.015 Start of MODEL 19 1 HA MET 1 HA MET 1 59.317 -7.144 -13.003 2 HB2 MET 1 HB2 MET 1 58.587 -4.280 -12.350 3 HB3 MET 1 HB1 MET 1 59.722 -5.325 -11.496 4 HG2 MET 1 HG2 MET 1 61.045 -5.429 -13.687 5 HG3 MET 1 HG1 MET 1 60.033 -4.094 -14.239 6 HE1 MET 1 HE1 MET 1 61.025 -1.068 -12.387 7 HE2 MET 1 HE2 MET 1 59.550 -2.018 -12.552 8 HE3 MET 1 HE3 MET 1 60.591 -1.768 -13.952 9 H ASN 2 HN ASN 2 56.954 -8.153 -13.515 10 HA ASN 2 HA ASN 2 55.546 -8.131 -11.029 11 HB2 ASN 2 HB2 ASN 2 53.370 -7.147 -12.056 12 HB3 ASN 2 HB1 ASN 2 54.617 -6.020 -11.523 13 HD21 ASN 2 HD21 ASN 2 53.277 -4.690 -13.275 14 HD22 ASN 2 HD22 ASN 2 53.880 -4.768 -14.860 15 H LEU 3 HN LEU 3 54.410 -8.288 -14.425 16 HA LEU 3 HA LEU 3 53.292 -10.035 -15.535 17 HG LEU 3 HG LEU 3 55.032 -10.934 -16.993 18 HB2 LEU 3 HB2 LEU 3 55.520 -11.421 -14.038 19 HB3 LEU 3 HB1 LEU 3 54.423 -12.318 -15.088 20 HD11 LEU 3 HD11 LEU 3 56.974 -9.272 -16.598 21 HD12 LEU 3 HD12 LEU 3 56.538 -9.374 -14.892 22 HD13 LEU 3 HD13 LEU 3 55.365 -8.780 -16.068 23 HD21 LEU 3 HD21 LEU 3 56.501 -12.819 -16.615 24 HD22 LEU 3 HD22 LEU 3 57.406 -11.929 -15.390 25 HD23 LEU 3 HD23 LEU 3 57.505 -11.447 -17.084 26 H GLU 4 HN GLU 4 53.820 -12.579 -13.389 27 HA GLU 4 HA GLU 4 50.990 -12.620 -12.650 28 HB2 GLU 4 HB2 GLU 4 53.314 -14.469 -12.059 29 HB3 GLU 4 HB1 GLU 4 51.682 -14.756 -11.456 30 HG2 GLU 4 HG2 GLU 4 51.931 -15.999 -13.513 31 HG3 GLU 4 HG1 GLU 4 50.865 -14.632 -13.838 32 HA PRO 5 HA PRO 5 50.952 -10.574 -8.740 33 HB2 PRO 5 HB2 PRO 5 50.094 -13.232 -7.640 34 HB3 PRO 5 HB1 PRO 5 49.404 -11.622 -7.354 35 HG2 PRO 5 HG2 PRO 5 48.290 -13.377 -9.049 36 HG3 PRO 5 HG1 PRO 5 48.231 -11.628 -9.317 37 HD2 PRO 5 HD2 PRO 5 49.741 -13.681 -10.803 38 HD3 PRO 5 HD1 PRO 5 49.316 -12.026 -11.289 39 HA PRO 6 HA PRO 6 54.917 -12.036 -7.143 40 HB2 PRO 6 HB2 PRO 6 55.435 -9.970 -5.457 41 HB3 PRO 6 HB1 PRO 6 55.568 -9.812 -7.220 42 HG2 PRO 6 HG2 PRO 6 53.379 -8.923 -5.411 43 HG3 PRO 6 HG1 PRO 6 54.073 -8.116 -6.827 44 HD2 PRO 6 HD2 PRO 6 51.698 -9.528 -6.875 45 HD3 PRO 6 HD1 PRO 6 52.722 -9.261 -8.302 46 H LYS 7 HN LYS 7 55.714 -12.959 -5.160 47 HA LYS 7 HA LYS 7 53.694 -13.973 -3.380 48 HB2 LYS 7 HB2 LYS 7 56.659 -13.878 -2.788 49 HB3 LYS 7 HB1 LYS 7 55.478 -15.068 -2.239 50 HG2 LYS 7 HG2 LYS 7 55.151 -15.812 -4.577 51 HG3 LYS 7 HG1 LYS 7 56.359 -14.643 -5.111 52 HD2 LYS 7 HD2 LYS 7 57.628 -16.600 -4.906 53 HD3 LYS 7 HD1 LYS 7 57.897 -15.818 -3.348 54 HE2 LYS 7 HE2 LYS 7 56.256 -17.215 -2.275 55 HE3 LYS 7 HE1 LYS 7 55.713 -17.861 -3.823 56 HZ1 LYS 7 HZ1 LYS 7 57.348 -19.345 -3.834 57 HZ2 LYS 7 HZ2 LYS 7 57.629 -18.941 -2.207 58 HZ3 LYS 7 HZ3 LYS 7 58.525 -18.188 -3.439 59 H ALA 8 HN ALA 8 52.905 -11.603 -2.991 60 HA ALA 8 HA ALA 8 54.479 -10.189 -0.921 61 HB1 ALA 8 HB1 ALA 8 51.793 -9.474 -2.137 62 HB2 ALA 8 HB2 ALA 8 53.350 -8.917 -2.752 63 HB3 ALA 8 HB3 ALA 8 52.808 -8.425 -1.147 64 H GLU 9 HN GLU 9 54.198 -11.989 0.652 65 HA GLU 9 HA GLU 9 51.789 -11.541 2.284 66 HB2 GLU 9 HB2 GLU 9 51.055 -13.332 0.768 67 HB3 GLU 9 HB1 GLU 9 52.479 -14.285 1.187 68 HG2 GLU 9 HG2 GLU 9 51.746 -14.571 3.440 69 HG3 GLU 9 HG1 GLU 9 50.500 -13.335 3.267 70 H1U RCY 10 H1U RCY 10 58.703 -10.914 10.113 71 H1S RCY 10 H1S RCY 10 57.347 -9.330 6.422 72 HB1 RCY 10 HB1 RCY 10 55.936 -11.900 4.035 73 HB2 RCY 10 HB2 RCY 10 56.356 -11.969 5.747 74 HA RCY 10 HA RCY 10 54.349 -13.256 5.500 75 HN1 RCY 10 HN1 RCY 10 52.621 -11.269 4.292 76 H ARG 11 HN ARG 11 55.048 -12.432 7.760 77 HA ARG 11 HA ARG 11 52.708 -11.137 8.974 78 HE ARG 11 HE ARG 11 52.907 -16.204 11.389 79 HB2 ARG 11 HB2 ARG 11 55.240 -12.356 10.099 80 HB3 ARG 11 HB1 ARG 11 54.038 -11.556 11.113 81 HG2 ARG 11 HG2 ARG 11 52.302 -13.104 10.198 82 HG3 ARG 11 HG1 ARG 11 53.572 -13.954 9.317 83 HD2 ARG 11 HD2 ARG 11 54.655 -14.623 11.350 84 HD3 ARG 11 HD1 ARG 11 53.642 -13.550 12.316 85 HH11 ARG 11 HH21 ARG 11 51.808 -13.035 12.187 86 HH12 ARG 11 HH22 ARG 11 50.208 -13.551 12.604 87 HH21 ARG 11 HH11 ARG 11 50.824 -16.896 11.929 88 HH22 ARG 11 HH12 ARG 11 49.651 -15.736 12.458 89 H SER 12 HN SER 12 52.607 -8.996 9.473 90 HA SER 12 HA SER 12 54.752 -7.205 8.764 91 HG SER 12 HG SER 12 51.340 -6.228 10.720 92 HB2 SER 12 HB2 SER 12 53.322 -5.451 9.636 93 HB3 SER 12 HB1 SER 12 52.311 -6.602 8.767 94 H ALA 13 HN ALA 13 53.699 -5.962 11.627 95 HA ALA 13 HA ALA 13 54.613 -5.823 13.789 96 HB1 ALA 13 HB1 ALA 13 55.458 -7.741 14.761 97 HB2 ALA 13 HB2 ALA 13 56.415 -8.169 13.343 98 HB3 ALA 13 HB3 ALA 13 54.677 -8.465 13.356 99 H THR 14 HN THR 14 56.321 -5.739 10.897 100 HA THR 14 HA THR 14 58.540 -4.251 12.222 101 HB THR 14 HB THR 14 59.642 -6.292 11.778 102 HG1 THR 14 HG1 THR 14 60.363 -4.244 10.561 103 HG21 THR 14 HG21 THR 14 59.360 -7.327 9.406 104 HG22 THR 14 HG22 THR 14 57.899 -6.342 9.324 105 HG23 THR 14 HG23 THR 14 58.069 -7.564 10.584 106 H ARG 15 HN ARG 15 57.327 -2.374 11.481 107 HA ARG 15 HA ARG 15 58.049 -1.629 8.731 108 HE ARG 15 HE ARG 15 53.650 -1.860 12.739 109 HB2 ARG 15 HB2 ARG 15 55.550 -0.826 8.446 110 HB3 ARG 15 HB1 ARG 15 55.983 -2.493 8.072 111 HG2 ARG 15 HG2 ARG 15 53.949 -2.386 9.480 112 HG3 ARG 15 HG1 ARG 15 55.271 -3.198 10.321 113 HD2 ARG 15 HD2 ARG 15 55.698 -1.332 11.702 114 HD3 ARG 15 HD1 ARG 15 54.817 -0.234 10.640 115 HH11 ARG 15 HH21 ARG 15 53.195 -0.460 9.621 116 HH12 ARG 15 HH22 ARG 15 51.472 -0.373 9.765 117 HH21 ARG 15 HH11 ARG 15 51.401 -1.753 12.945 118 HH22 ARG 15 HH12 ARG 15 50.456 -1.104 11.647 119 H VAL 16 HN VAL 16 58.676 -0.772 11.480 120 HA VAL 16 HA VAL 16 58.611 1.155 12.857 121 HB VAL 16 HB VAL 16 59.420 3.132 11.609 122 HG11 VAL 16 HG11 VAL 16 60.568 0.446 10.809 123 HG12 VAL 16 HG12 VAL 16 61.077 1.470 12.151 124 HG13 VAL 16 HG13 VAL 16 61.379 1.979 10.490 125 HG21 VAL 16 HG21 VAL 16 58.988 1.454 9.122 126 HG22 VAL 16 HG22 VAL 16 59.536 3.129 9.200 127 HG23 VAL 16 HG23 VAL 16 57.876 2.723 9.637 128 H MET 17 HN MET 17 57.798 3.820 11.666 129 HA MET 17 HA MET 17 54.859 3.461 11.437 130 HB2 MET 17 HB2 MET 17 55.633 3.825 13.890 131 HB3 MET 17 HB1 MET 17 55.990 5.475 13.383 132 HG2 MET 17 HG2 MET 17 53.707 5.873 12.763 133 HG3 MET 17 HG1 MET 17 53.301 4.164 12.925 134 HE1 MET 17 HE1 MET 17 55.063 7.034 14.837 135 HE2 MET 17 HE2 MET 17 53.958 7.299 16.182 136 HE3 MET 17 HE3 MET 17 53.404 7.562 14.530 137 H GLY 18 HN GLY 18 57.273 4.452 9.812 138 HA2 GLY 18 HA2 GLY 18 55.992 6.414 8.272 139 HA3 GLY 18 HA1 GLY 18 56.948 7.294 9.466 140 H GLY 19 HN GLY 19 58.478 8.095 7.971 141 HA2 GLY 19 HA2 GLY 19 60.858 6.826 7.539 142 HA3 GLY 19 HA1 GLY 19 59.890 6.246 6.182 143 HA PRO 20 HA PRO 20 60.040 11.217 5.974 144 HB2 PRO 20 HB2 PRO 20 62.717 11.358 7.315 145 HB3 PRO 20 HB1 PRO 20 61.380 12.525 7.342 146 HG2 PRO 20 HG2 PRO 20 61.873 10.923 9.411 147 HG3 PRO 20 HG1 PRO 20 60.221 11.362 8.948 148 HD2 PRO 20 HD2 PRO 20 61.637 8.764 8.610 149 HD3 PRO 20 HD1 PRO 20 59.899 9.088 8.787 150 H1U RCY 21 H1U RCY 21 62.646 2.981 0.331 151 H1S RCY 21 H1S RCY 21 62.060 5.883 3.068 152 HB1 RCY 21 HB1 RCY 21 62.352 9.371 0.934 153 HB2 RCY 21 HB2 RCY 21 60.881 9.157 1.883 154 HA RCY 21 HA RCY 21 63.233 10.772 2.888 155 HN1 RCY 21 HN1 RCY 21 60.390 10.982 3.768 156 H THR 22 HN THR 22 63.319 12.954 2.314 157 HA THR 22 HA THR 22 61.319 13.898 0.298 158 HB THR 22 HB THR 22 63.185 15.558 2.013 159 HG1 THR 22 HG1 THR 22 61.636 15.624 3.450 160 HG21 THR 22 HG21 THR 22 62.550 16.755 0.036 161 HG22 THR 22 HG22 THR 22 61.521 17.354 1.337 162 HG23 THR 22 HG23 THR 22 60.879 16.203 0.165 163 HA PRO 23 HA PRO 23 64.880 13.026 -2.448 164 HB2 PRO 23 HB2 PRO 23 62.992 14.524 -4.238 165 HB3 PRO 23 HB1 PRO 23 63.925 13.049 -4.567 166 HG2 PRO 23 HG2 PRO 23 61.325 12.945 -4.022 167 HG3 PRO 23 HG1 PRO 23 62.439 11.704 -3.425 168 HD2 PRO 23 HD2 PRO 23 61.080 13.889 -1.919 169 HD3 PRO 23 HD1 PRO 23 61.625 12.295 -1.351 170 H ARG 24 HN ARG 24 66.142 14.641 -1.186 171 HA ARG 24 HA ARG 24 66.771 16.980 -2.805 172 HE ARG 24 HE ARG 24 64.243 19.741 -2.392 173 HB2 ARG 24 HB2 ARG 24 64.779 17.743 -1.472 174 HB3 ARG 24 HB1 ARG 24 65.711 17.445 -0.004 175 HG2 ARG 24 HG2 ARG 24 67.350 19.096 -0.609 176 HG3 ARG 24 HG1 ARG 24 66.671 19.260 -2.229 177 HD2 ARG 24 HD2 ARG 24 65.241 19.972 0.350 178 HD3 ARG 24 HD1 ARG 24 65.964 21.128 -0.769 179 HH11 ARG 24 HH21 ARG 24 63.981 21.240 0.702 180 HH12 ARG 24 HH22 ARG 24 62.307 21.643 0.513 181 HH21 ARG 24 HH11 ARG 24 62.059 20.258 -2.657 182 HH22 ARG 24 HH12 ARG 24 61.219 21.087 -1.389 183 H LYS 25 HN LYS 25 67.077 16.356 0.692 184 HA LYS 25 HA LYS 25 68.998 16.126 2.022 185 HB2 LYS 25 HB2 LYS 25 70.310 14.981 -0.450 186 HB3 LYS 25 HB1 LYS 25 70.654 14.599 1.236 187 HG2 LYS 25 HG2 LYS 25 68.010 14.029 -0.133 188 HG3 LYS 25 HG1 LYS 25 69.289 12.836 0.091 189 HD2 LYS 25 HD2 LYS 25 68.320 12.386 2.084 190 HD3 LYS 25 HD1 LYS 25 68.988 13.926 2.625 191 HE2 LYS 25 HE2 LYS 25 66.947 15.090 1.983 192 HE3 LYS 25 HE1 LYS 25 66.282 13.608 1.295 193 HZ1 LYS 25 HZ1 LYS 25 65.817 12.765 3.318 194 HZ2 LYS 25 HZ2 LYS 25 65.779 14.403 3.766 195 HZ3 LYS 25 HZ3 LYS 25 67.168 13.471 4.063 196 H GLY 26 HN GLY 26 71.307 16.895 2.214 197 HA2 GLY 26 HA2 GLY 26 71.576 19.468 0.797 198 HA3 GLY 26 HA1 GLY 26 72.557 18.932 2.162 199 HA PRO 27 HA PRO 27 74.807 18.672 -2.078 200 HB2 PRO 27 HB2 PRO 27 76.850 19.891 -0.259 201 HB3 PRO 27 HB1 PRO 27 76.503 20.247 -1.963 202 HG2 PRO 27 HG2 PRO 27 75.704 21.866 -0.000 203 HG3 PRO 27 HG1 PRO 27 74.730 21.610 -1.457 204 HD2 PRO 27 HD2 PRO 27 74.267 20.613 1.309 205 HD3 PRO 27 HD1 PRO 27 73.093 20.951 0.019 206 HA PRO 28 HA PRO 28 76.864 14.833 -1.265 207 HB2 PRO 28 HB2 PRO 28 79.372 16.173 -2.225 208 HB3 PRO 28 HB1 PRO 28 78.680 14.608 -2.699 209 HG2 PRO 28 HG2 PRO 28 78.452 16.780 -4.241 210 HG3 PRO 28 HG1 PRO 28 77.172 15.559 -4.140 211 HD2 PRO 28 HD2 PRO 28 77.209 18.320 -3.060 212 HD3 PRO 28 HD1 PRO 28 75.822 17.281 -3.454 213 H LYS 29 HN LYS 29 78.433 13.855 0.214 214 HA LYS 29 HA LYS 29 80.006 15.660 1.939 215 HB2 LYS 29 HB2 LYS 29 77.655 14.033 2.931 216 HB3 LYS 29 HB1 LYS 29 78.943 14.583 4.002 217 HG2 LYS 29 HG2 LYS 29 78.515 16.929 3.193 218 HG3 LYS 29 HG1 LYS 29 77.111 16.315 2.321 219 HD2 LYS 29 HD2 LYS 29 76.375 17.182 4.472 220 HD3 LYS 29 HD1 LYS 29 76.218 15.425 4.484 221 HE2 LYS 29 HE2 LYS 29 78.845 16.437 5.382 222 HE3 LYS 29 HE1 LYS 29 77.492 16.856 6.433 223 HZ1 LYS 29 HZ1 LYS 29 77.930 14.104 5.435 224 HZ2 LYS 29 HZ2 LYS 29 76.935 14.612 6.715 225 HZ3 LYS 29 HZ3 LYS 29 78.625 14.664 6.878 226 H1U RCY 30 H1U RCY 30 80.882 14.565 -2.745 227 H1S RCY 30 H1S RCY 30 82.392 15.630 1.428 228 HB1 RCY 30 HB1 RCY 30 83.776 12.952 0.024 229 HB2 RCY 30 HB2 RCY 30 84.535 12.113 1.377 230 HA RCY 30 HA RCY 30 82.041 11.650 1.022 231 HN1 RCY 30 HN1 RCY 30 81.808 14.462 1.128 232 H LYS 31 HN LYS 31 82.673 10.093 2.549 233 HA LYS 31 HA LYS 31 82.745 11.031 5.395 234 HB2 LYS 31 HB2 LYS 31 80.792 9.480 4.329 235 HB3 LYS 31 HB1 LYS 31 81.936 8.226 4.798 236 HG2 LYS 31 HG2 LYS 31 80.707 8.466 6.764 237 HG3 LYS 31 HG1 LYS 31 82.041 9.582 7.059 238 HD2 LYS 31 HD2 LYS 31 80.549 11.387 6.001 239 HD3 LYS 31 HD1 LYS 31 79.226 10.235 6.179 240 HE2 LYS 31 HE2 LYS 31 80.883 11.538 8.334 241 HE3 LYS 31 HE1 LYS 31 79.128 11.493 8.172 242 HZ1 LYS 31 HZ1 LYS 31 80.949 9.482 9.225 243 HZ2 LYS 31 HZ2 LYS 31 79.642 8.906 8.305 244 HZ3 LYS 31 HZ3 LYS 31 79.359 9.855 9.685 245 H GLN 32 HN GLN 32 83.351 8.226 6.209 246 HA GLN 32 HA GLN 32 86.258 8.406 5.885 247 HB2 GLN 32 HB2 GLN 32 86.384 6.692 7.540 248 HB3 GLN 32 HB1 GLN 32 85.040 7.721 8.028 249 HG2 GLN 32 HG2 GLN 32 84.910 5.024 6.661 250 HG3 GLN 32 HG1 GLN 32 84.233 5.480 8.226 251 HE21 GLN 32 HE21 GLN 32 82.164 6.499 8.251 252 HE22 GLN 32 HE22 GLN 32 81.259 6.799 6.847 253 H ARG 33 HN ARG 33 84.440 7.710 3.558 254 HA ARG 33 HA ARG 33 84.479 5.065 2.751 255 HE ARG 33 HE ARG 33 86.633 6.870 -0.733 256 HB2 ARG 33 HB2 ARG 33 84.971 5.994 0.406 257 HB3 ARG 33 HB1 ARG 33 83.565 6.658 1.239 258 HG2 ARG 33 HG2 ARG 33 84.659 8.675 1.748 259 HG3 ARG 33 HG1 ARG 33 86.260 7.974 1.512 260 HD2 ARG 33 HD2 ARG 33 84.268 8.240 -0.747 261 HD3 ARG 33 HD1 ARG 33 85.423 9.513 -0.354 262 HH11 ARG 33 HH21 ARG 33 85.595 9.854 -2.113 263 HH12 ARG 33 HH22 ARG 33 86.665 9.751 -3.471 264 HH21 ARG 33 HH11 ARG 33 88.037 6.719 -2.498 265 HH22 ARG 33 HH12 ARG 33 88.048 7.977 -3.689 266 H GLN 34 HN GLN 34 86.021 3.691 1.724 267 HA GLN 34 HA GLN 34 88.819 4.272 2.503 268 HB2 GLN 34 HB2 GLN 34 87.590 1.762 1.322 269 HB3 GLN 34 HB1 GLN 34 89.224 1.909 1.971 270 HG2 GLN 34 HG2 GLN 34 88.315 2.452 4.188 271 HG3 GLN 34 HG1 GLN 34 86.673 2.355 3.551 272 HE21 GLN 34 HE21 GLN 34 89.192 0.514 4.973 273 HE22 GLN 34 HE22 GLN 34 88.546 -1.027 4.678 274 H THR 35 HN THR 35 88.618 2.132 -0.107 275 HA THR 35 HA THR 35 90.105 3.953 -1.824 276 HB THR 35 HB THR 35 90.102 2.060 -3.419 277 HG1 THR 35 HG1 THR 35 88.826 0.366 -3.113 278 HG21 THR 35 HG21 THR 35 90.581 1.170 -0.561 279 HG22 THR 35 HG22 THR 35 91.716 2.114 -1.527 280 HG23 THR 35 HG23 THR 35 91.304 0.468 -2.008 281 H ARG 36 HN ARG 36 87.462 1.964 -3.061 282 HA ARG 36 HA ARG 36 86.025 4.439 -3.920 283 HE ARG 36 HE ARG 36 85.475 5.384 -5.382 284 HB2 ARG 36 HB2 ARG 36 86.864 2.097 -5.646 285 HB3 ARG 36 HB1 ARG 36 85.624 3.249 -6.135 286 HG2 ARG 36 HG2 ARG 36 88.057 4.557 -5.157 287 HG3 ARG 36 HG1 ARG 36 88.349 3.543 -6.570 288 HD2 ARG 36 HD2 ARG 36 87.656 5.982 -7.016 289 HD3 ARG 36 HD1 ARG 36 86.770 4.729 -7.886 290 HH11 ARG 36 HH21 ARG 36 86.037 6.381 -8.634 291 HH12 ARG 36 HH22 ARG 36 84.557 7.272 -8.757 292 HH21 ARG 36 HH11 ARG 36 83.539 6.542 -5.524 293 HH22 ARG 36 HH12 ARG 36 83.143 7.364 -6.996 294 H GLN 37 HN GLN 37 85.961 0.981 -3.254 295 HA GLN 37 HA GLN 37 83.294 1.121 -2.173 296 HB2 GLN 37 HB2 GLN 37 82.933 1.204 -4.725 297 HB3 GLN 37 HB1 GLN 37 83.479 -0.473 -4.734 298 HG2 GLN 37 HG2 GLN 37 81.716 -0.882 -2.907 299 HG3 GLN 37 HG1 GLN 37 81.057 0.691 -3.355 300 HE21 GLN 37 HE21 GLN 37 80.459 0.943 -5.740 301 HE22 GLN 37 HE22 GLN 37 79.919 -0.430 -6.578 302 H1U RCY 38 H1U RCY 38 83.845 1.958 -3.294 303 H1S RCY 38 H1S RCY 38 82.884 -0.050 1.033 304 HB1 RCY 38 HB1 RCY 38 84.933 -3.547 0.452 305 HB2 RCY 38 HB2 RCY 38 83.724 -2.561 -0.370 306 HA RCY 38 HA RCY 38 86.639 -1.765 -0.174 307 HN1 RCY 38 HN1 RCY 38 85.640 0.151 -1.104 308 H LYS 39 HN LYS 39 86.049 -1.590 -3.261 309 HA LYS 39 HA LYS 39 86.055 -4.444 -3.983 310 HB2 LYS 39 HB2 LYS 39 86.003 -3.688 -6.265 311 HB3 LYS 39 HB1 LYS 39 84.911 -2.642 -5.358 312 HG2 LYS 39 HG2 LYS 39 86.918 -1.064 -5.073 313 HG3 LYS 39 HG1 LYS 39 87.706 -2.024 -6.326 314 HD2 LYS 39 HD2 LYS 39 85.503 -1.632 -7.671 315 HD3 LYS 39 HD1 LYS 39 85.244 -0.305 -6.538 316 HE2 LYS 39 HE2 LYS 39 87.401 -0.645 -8.595 317 HE3 LYS 39 HE1 LYS 39 86.430 0.779 -8.221 318 HZ1 LYS 39 HZ1 LYS 39 88.183 1.451 -7.054 319 HZ2 LYS 39 HZ2 LYS 39 88.920 -0.080 -7.094 320 HZ3 LYS 39 HZ3 LYS 39 87.758 0.276 -5.906 321 H SER 40 HN SER 40 87.877 -5.620 -4.368 322 HA SER 40 HA SER 40 90.309 -4.702 -5.444 323 HG SER 40 HG SER 40 92.086 -4.881 -2.121 324 HB2 SER 40 HB2 SER 40 90.917 -3.353 -3.658 325 HB3 SER 40 HB1 SER 40 90.030 -4.326 -2.488 326 H LYS 41 HN LYS 41 90.472 -6.503 -2.440 327 HA LYS 41 HA LYS 41 91.246 -8.908 -3.974 328 HB2 LYS 41 HB2 LYS 41 91.552 -7.946 -1.165 329 HB3 LYS 41 HB1 LYS 41 91.467 -9.691 -1.395 330 HG2 LYS 41 HG2 LYS 41 93.800 -8.979 -1.506 331 HG3 LYS 41 HG1 LYS 41 93.280 -9.518 -3.103 332 HD2 LYS 41 HD2 LYS 41 92.825 -7.149 -3.723 333 HD3 LYS 41 HD1 LYS 41 93.445 -6.643 -2.151 334 HE2 LYS 41 HE2 LYS 41 95.037 -8.249 -4.169 335 HE3 LYS 41 HE1 LYS 41 95.155 -6.499 -3.978 336 HZ1 LYS 41 HZ1 LYS 41 96.765 -7.073 -2.535 337 HZ2 LYS 41 HZ2 LYS 41 96.135 -8.626 -2.259 338 HZ3 LYS 41 HZ3 LYS 41 95.467 -7.282 -1.464 339 HA PRO 42 HA PRO 42 87.395 -11.007 -3.625 340 HB2 PRO 42 HB2 PRO 42 88.234 -13.557 -2.882 341 HB3 PRO 42 HB1 PRO 42 88.248 -12.927 -4.540 342 HG2 PRO 42 HG2 PRO 42 90.473 -13.153 -2.586 343 HG3 PRO 42 HG1 PRO 42 90.479 -13.382 -4.343 344 HD2 PRO 42 HD2 PRO 42 91.450 -11.124 -3.182 345 HD3 PRO 42 HD1 PRO 42 90.666 -11.104 -4.778 346 HA PRO 43 HA PRO 43 85.592 -11.075 0.397 347 HB2 PRO 43 HB2 PRO 43 85.119 -14.012 -0.003 348 HB3 PRO 43 HB1 PRO 43 83.994 -12.757 0.551 349 HG2 PRO 43 HG2 PRO 43 83.953 -13.697 -1.954 350 HG3 PRO 43 HG1 PRO 43 83.566 -12.012 -1.570 351 HD2 PRO 43 HD2 PRO 43 85.941 -13.107 -2.948 352 HD3 PRO 43 HD1 PRO 43 85.292 -11.454 -2.965 353 H LYS 44 HN LYS 44 86.414 -11.320 2.462 354 HA LYS 44 HA LYS 44 88.777 -13.107 2.775 355 HB2 LYS 44 HB2 LYS 44 88.981 -11.743 4.974 356 HB3 LYS 44 HB1 LYS 44 89.334 -10.916 3.457 357 HG2 LYS 44 HG2 LYS 44 87.316 -9.732 3.476 358 HG3 LYS 44 HG1 LYS 44 86.533 -10.893 4.549 359 HD2 LYS 44 HD2 LYS 44 87.722 -10.101 6.448 360 HD3 LYS 44 HD1 LYS 44 88.880 -9.219 5.453 361 HE2 LYS 44 HE2 LYS 44 87.327 -7.537 4.914 362 HE3 LYS 44 HE1 LYS 44 85.946 -8.546 5.344 363 HZ1 LYS 44 HZ1 LYS 44 86.008 -7.539 7.307 364 HZ2 LYS 44 HZ2 LYS 44 87.520 -6.830 6.994 365 HZ3 LYS 44 HZ3 LYS 44 87.432 -8.402 7.632 366 H LYS 45 HN LYS 45 87.286 -12.158 5.684 367 HA LYS 45 HA LYS 45 85.468 -14.424 5.929 368 HB2 LYS 45 HB2 LYS 45 86.751 -15.584 7.697 369 HB3 LYS 45 HB1 LYS 45 87.633 -15.581 6.169 370 HG2 LYS 45 HG2 LYS 45 88.792 -13.459 7.013 371 HG3 LYS 45 HG1 LYS 45 88.115 -13.845 8.595 372 HD2 LYS 45 HD2 LYS 45 89.183 -16.112 8.429 373 HD3 LYS 45 HD1 LYS 45 89.973 -15.581 6.944 374 HE2 LYS 45 HE2 LYS 45 90.273 -14.277 9.667 375 HE3 LYS 45 HE1 LYS 45 91.476 -15.298 8.877 376 HZ1 LYS 45 HZ1 LYS 45 91.154 -12.570 8.593 377 HZ2 LYS 45 HZ2 LYS 45 90.617 -13.245 7.129 378 HZ3 LYS 45 HZ3 LYS 45 92.183 -13.580 7.698 379 H GLY 46 HN GLY 46 85.242 -11.598 6.315 380 HA2 GLY 46 HA2 GLY 46 85.358 -11.073 9.195 381 HA3 GLY 46 HA1 GLY 46 84.718 -9.980 7.967 382 H VAL 47 HN VAL 47 82.693 -9.541 8.808 383 HA VAL 47 HA VAL 47 81.023 -11.547 10.046 384 HB VAL 47 HB VAL 47 79.220 -9.782 9.739 385 HG11 VAL 47 HG11 VAL 47 80.574 -9.877 11.776 386 HG12 VAL 47 HG12 VAL 47 80.309 -8.194 11.319 387 HG13 VAL 47 HG13 VAL 47 81.861 -8.964 10.988 388 HG21 VAL 47 HG21 VAL 47 79.817 -7.653 8.821 389 HG22 VAL 47 HG22 VAL 47 80.368 -8.852 7.651 390 HG23 VAL 47 HG23 VAL 47 81.524 -8.089 8.744 391 H GLN 48 HN GLN 48 81.746 -10.799 6.787 392 HA GLN 48 HA GLN 48 79.975 -12.883 5.825 393 HB2 GLN 48 HB2 GLN 48 78.300 -11.115 6.051 394 HB3 GLN 48 HB1 GLN 48 79.317 -10.003 5.133 395 HG2 GLN 48 HG2 GLN 48 79.090 -11.305 3.133 396 HG3 GLN 48 HG1 GLN 48 78.346 -12.641 4.013 397 HE21 GLN 48 HE21 GLN 48 77.650 -9.829 2.204 398 HE22 GLN 48 HE22 GLN 48 76.013 -9.676 2.625 399 H GLY 49 HN GLY 49 81.177 -9.848 4.353 400 HA2 GLY 49 HA2 GLY 49 83.543 -10.794 3.214 401 HA3 GLY 49 HA1 GLY 49 82.275 -11.264 2.081 402 H1U RCY 50 H1U RCY 50 81.601 -2.195 -3.040 403 H1S RCY 50 H1S RCY 50 80.779 -6.277 -2.782 404 HB1 RCY 50 HB1 RCY 50 81.383 -6.003 0.398 405 HB2 RCY 50 HB2 RCY 50 80.840 -7.411 1.311 406 HA RCY 50 HA RCY 50 83.110 -7.716 -0.630 407 HN1 RCY 50 HN1 RCY 50 82.959 -9.793 0.456 408 H GLY 51 HN GLY 51 84.361 -8.225 2.302 409 HA2 GLY 51 HA2 GLY 51 85.036 -5.388 2.882 410 HA3 GLY 51 HA1 GLY 51 85.341 -6.751 3.959 411 H ASP 52 HN ASP 52 87.020 -4.578 2.347 412 HA ASP 52 HA ASP 52 88.935 -6.385 1.001 413 HB2 ASP 52 HB2 ASP 52 90.155 -4.138 0.627 414 HB3 ASP 52 HB1 ASP 52 88.610 -4.365 -0.194 415 H ASP 53 HN ASP 53 89.662 -3.607 3.103 416 HA ASP 53 HA ASP 53 91.649 -5.328 4.519 417 HB2 ASP 53 HB2 ASP 53 91.410 -2.323 4.215 418 HB3 ASP 53 HB1 ASP 53 92.589 -3.104 5.269 419 H ILE 54 HN ILE 54 90.371 -2.324 5.803 420 HA ILE 54 HA ILE 54 88.838 -3.840 7.863 421 HB ILE 54 HB ILE 54 91.113 -3.312 8.743 422 HG12 ILE 54 HG12 ILE 54 88.816 -1.756 9.975 423 HG13 ILE 54 HG11 ILE 54 89.211 -3.447 10.289 424 HG21 ILE 54 HG21 ILE 54 91.022 -1.067 7.307 425 HG22 ILE 54 HG22 ILE 54 91.973 -1.165 8.789 426 HG23 ILE 54 HG23 ILE 54 90.378 -0.414 8.814 427 HD11 ILE 54 HD11 ILE 54 90.810 -0.992 11.030 428 HD12 ILE 54 HD12 ILE 54 91.523 -2.605 11.020 429 HD13 ILE 54 HD13 ILE 54 90.177 -2.243 12.100 430 HA PRO 55 HA PRO 55 86.246 -0.361 6.507 431 HB2 PRO 55 HB2 PRO 55 83.847 -1.485 7.043 432 HB3 PRO 55 HB1 PRO 55 84.815 -1.970 5.638 433 HG2 PRO 55 HG2 PRO 55 84.466 -3.347 8.249 434 HG3 PRO 55 HG1 PRO 55 84.596 -4.028 6.620 435 HD2 PRO 55 HD2 PRO 55 86.687 -3.905 8.462 436 HD3 PRO 55 HD1 PRO 55 86.889 -4.098 6.707 437 H GLY 56 HN GLY 56 84.035 -1.600 8.844 438 HA2 GLY 56 HA2 GLY 56 84.582 0.753 10.580 439 HA3 GLY 56 HA1 GLY 56 83.079 -0.170 10.557 440 H MET 57 HN MET 57 85.929 -2.077 10.508 441 HA MET 57 HA MET 57 86.733 -3.615 12.095 442 HB2 MET 57 HB2 MET 57 87.531 -1.274 12.911 443 HB3 MET 57 HB1 MET 57 86.284 -1.447 14.146 444 HG2 MET 57 HG2 MET 57 87.344 -3.782 14.576 445 HG3 MET 57 HG1 MET 57 88.734 -3.144 13.698 446 HE1 MET 57 HE1 MET 57 87.549 -3.847 17.052 447 HE2 MET 57 HE2 MET 57 88.992 -3.165 17.800 448 HE3 MET 57 HE3 MET 57 89.147 -4.205 16.386 449 H GLU 58 HN GLU 58 83.794 -3.484 11.655 450 HA GLU 58 HA GLU 58 83.009 -5.174 13.876 451 HB2 GLU 58 HB2 GLU 58 81.296 -3.788 14.848 452 HB3 GLU 58 HB1 GLU 58 82.783 -2.841 14.838 453 HG2 GLU 58 HG2 GLU 58 81.275 -1.302 13.952 454 HG3 GLU 58 HG1 GLU 58 81.903 -2.043 12.480 455 H GLY 59 HN GLY 59 82.132 -3.316 11.013 456 HA2 GLY 59 HA2 GLY 59 80.919 -5.445 9.648 457 HA3 GLY 59 HA1 GLY 59 79.618 -4.644 10.532 458 H1U RCY 60 H1U RCY 60 75.484 1.875 4.615 459 H1S RCY 60 H1S RCY 60 75.582 -0.363 8.032 460 HB1 RCY 60 HB1 RCY 60 78.987 -2.169 6.931 461 HB2 RCY 60 HB2 RCY 60 78.750 -0.421 6.927 462 HA RCY 60 HA RCY 60 81.017 -1.150 7.759 463 HN1 RCY 60 HN1 RCY 60 80.062 -2.032 10.348 464 H GLY 61 HN GLY 61 79.345 1.139 7.530 465 HA2 GLY 61 HA2 GLY 61 80.505 2.813 9.575 466 HA3 GLY 61 HA1 GLY 61 79.342 3.336 8.355 467 H THR 62 HN THR 62 78.154 4.528 9.953 468 HA THR 62 HA THR 62 75.937 3.202 11.086 469 HB THR 62 HB THR 62 77.062 2.132 12.799 470 HG1 THR 62 HG1 THR 62 77.287 4.397 14.286 471 HG21 THR 62 HG21 THR 62 79.305 2.515 12.490 472 HG22 THR 62 HG22 THR 62 79.066 3.535 13.910 473 HG23 THR 62 HG23 THR 62 79.089 4.255 12.300 474 H ASP 63 HN ASP 63 78.129 5.912 11.038 475 HA ASP 63 HA ASP 63 76.795 7.815 12.600 476 HB2 ASP 63 HB2 ASP 63 78.224 8.087 9.947 477 HB3 ASP 63 HB1 ASP 63 77.592 9.483 10.820 478 H ILE 64 HN ILE 64 75.879 6.452 9.502 479 HA ILE 64 HA ILE 64 73.795 8.391 8.931 480 HB ILE 64 HB ILE 64 74.009 5.543 7.927 481 HG12 ILE 64 HG12 ILE 64 76.133 6.568 7.479 482 HG13 ILE 64 HG11 ILE 64 75.209 6.668 5.980 483 HG21 ILE 64 HG21 ILE 64 71.882 6.672 7.444 484 HG22 ILE 64 HG22 ILE 64 72.828 6.503 5.965 485 HG23 ILE 64 HG23 ILE 64 72.752 8.060 6.790 486 HD11 ILE 64 HD11 ILE 64 75.814 8.854 7.965 487 HD12 ILE 64 HD12 ILE 64 74.443 8.988 6.863 488 HD13 ILE 64 HD13 ILE 64 76.080 8.844 6.222 489 H THR 65 HN THR 65 73.257 4.915 9.390 490 HA THR 65 HA THR 65 71.819 3.799 10.897 491 HB THR 65 HB THR 65 70.763 6.406 11.951 492 HG1 THR 65 HG1 THR 65 72.749 6.932 12.373 493 HG21 THR 65 HG21 THR 65 69.916 4.140 12.681 494 HG22 THR 65 HG22 THR 65 70.549 5.138 13.990 495 HG23 THR 65 HG23 THR 65 71.523 3.822 13.335 496 H VAL 66 HN VAL 66 70.818 6.481 8.894 497 HA VAL 66 HA VAL 66 68.281 5.012 8.365 498 HB VAL 66 HB VAL 66 67.332 7.518 8.184 499 HG11 VAL 66 HG11 VAL 66 66.371 5.708 9.544 500 HG12 VAL 66 HG12 VAL 66 66.433 7.206 10.473 501 HG13 VAL 66 HG13 VAL 66 67.628 5.941 10.759 502 HG21 VAL 66 HG21 VAL 66 69.673 8.313 8.952 503 HG22 VAL 66 HG22 VAL 66 69.204 7.721 10.546 504 HG23 VAL 66 HG23 VAL 66 68.274 9.005 9.772 505 H ILE 67 HN ILE 67 69.481 8.191 7.239 506 HA ILE 67 HA ILE 67 69.432 7.043 4.467 507 HB ILE 67 HB ILE 67 68.797 9.849 5.416 508 HG12 ILE 67 HG12 ILE 67 67.056 7.844 3.956 509 HG13 ILE 67 HG11 ILE 67 67.069 8.003 5.713 510 HG21 ILE 67 HG21 ILE 67 69.902 10.085 3.314 511 HG22 ILE 67 HG22 ILE 67 68.177 10.126 2.946 512 HG23 ILE 67 HG23 ILE 67 69.107 8.656 2.654 513 HD11 ILE 67 HD11 ILE 67 65.251 9.349 4.760 514 HD12 ILE 67 HD12 ILE 67 66.404 10.203 3.734 515 HD13 ILE 67 HD13 ILE 67 66.469 10.399 5.485 516 H1U RCY 68 H1U RCY 68 77.789 1.742 0.838 517 H1S RCY 68 H1S RCY 68 75.382 5.813 0.259 518 HB1 RCY 68 HB1 RCY 68 73.741 5.885 4.091 519 HB2 RCY 68 HB2 RCY 68 75.109 6.905 3.654 520 HA RCY 68 HA RCY 68 73.690 8.403 4.787 521 HN1 RCY 68 HN1 RCY 68 71.489 6.746 3.808 522 HA PRO 69 HA PRO 69 73.499 11.508 1.647 523 HB2 PRO 69 HB2 PRO 69 76.189 12.056 1.309 524 HB3 PRO 69 HB1 PRO 69 75.213 12.659 2.661 525 HG2 PRO 69 HG2 PRO 69 77.108 10.372 2.572 526 HG3 PRO 69 HG1 PRO 69 76.799 11.537 3.870 527 HD2 PRO 69 HD2 PRO 69 75.802 8.992 3.906 528 HD3 PRO 69 HD1 PRO 69 74.969 10.362 4.674 529 H TRP 70 HN TRP 70 75.080 8.519 1.145 530 HA TRP 70 HA TRP 70 75.848 9.017 -1.634 531 HD1 TRP 70 HD1 TRP 70 75.978 6.741 -3.561 532 HE1 TRP 70 HE1 TRP 70 78.266 6.596 -4.737 533 HE3 TRP 70 HE3 TRP 70 79.074 7.224 0.471 534 HZ2 TRP 70 HZ2 TRP 70 81.047 6.675 -4.058 535 HZ3 TRP 70 HZ3 TRP 70 81.532 7.187 0.180 536 HH2 TRP 70 HH2 TRP 70 82.523 6.913 -2.075 537 HB2 TRP 70 HB2 TRP 70 76.611 7.163 0.244 538 HB3 TRP 70 HB1 TRP 70 75.505 6.210 -0.743 539 H GLU 71 HN GLU 71 73.009 8.010 0.079 540 HA GLU 71 HA GLU 71 71.604 6.427 -1.717 541 HB2 GLU 71 HB2 GLU 71 70.804 8.588 0.191 542 HB3 GLU 71 HB1 GLU 71 69.587 8.033 -0.960 543 HG2 GLU 71 HG2 GLU 71 71.199 6.044 0.628 544 HG3 GLU 71 HG1 GLU 71 69.776 6.810 1.337 545 H ALA 72 HN ALA 72 71.839 9.996 -1.811 546 HA ALA 72 HA ALA 72 70.340 10.298 -4.235 547 HB1 ALA 72 HB1 ALA 72 71.200 12.546 -4.289 548 HB2 ALA 72 HB2 ALA 72 72.576 12.104 -3.278 549 HB3 ALA 72 HB3 ALA 72 70.952 12.138 -2.591 550 H1U RCY 73 H1U RCY 73 71.079 1.726 -3.322 551 H1S RCY 73 H1S RCY 73 70.256 4.580 -6.979 552 HB1 RCY 73 HB1 RCY 73 73.346 6.441 -5.948 553 HB2 RCY 73 HB2 RCY 73 73.629 6.693 -7.669 554 HA RCY 73 HA RCY 73 74.170 8.698 -6.254 555 HN1 RCY 73 HN1 RCY 73 71.451 8.331 -5.283 556 H ASN 74 HN ASN 74 74.074 10.734 -7.358 557 HA ASN 74 HA ASN 74 72.198 11.120 -9.566 558 HB2 ASN 74 HB2 ASN 74 74.715 12.680 -8.903 559 HB3 ASN 74 HB1 ASN 74 73.388 13.212 -9.936 560 HD21 ASN 74 HD21 ASN 74 71.337 11.992 -8.084 561 HD22 ASN 74 HD22 ASN 74 71.260 13.042 -6.753 562 H HIS 75 HN HIS 75 74.708 9.092 -9.246 563 HA HIS 75 HA HIS 75 75.026 8.681 -12.077 564 HD1 HIS 75 HD1 HIS 75 78.443 7.507 -11.113 565 HD2 HIS 75 HD2 HIS 75 77.734 10.034 -14.355 566 HE1 HIS 75 HE1 HIS 75 79.895 6.663 -13.009 567 HE2 HIS 75 HE2 HIS 75 79.472 8.193 -14.989 568 HB2 HIS 75 HB2 HIS 75 76.445 10.648 -11.992 569 HB3 HIS 75 HB1 HIS 75 77.308 10.015 -10.590 570 H1U RCY 76 H1U RCY 76 70.731 0.533 -8.649 571 H1S RCY 76 H1S RCY 76 75.174 1.790 -7.661 572 HB1 RCY 76 HB1 RCY 76 74.534 4.175 -10.875 573 HB2 RCY 76 HB2 RCY 76 74.978 5.074 -9.424 574 HA RCY 76 HA RCY 76 77.321 5.241 -10.337 575 HN1 RCY 76 HN1 RCY 76 75.567 6.554 -12.314 576 H GLU 77 HN GLU 77 77.575 5.853 -13.150 577 HA GLU 77 HA GLU 77 76.981 3.496 -14.724 578 HB2 GLU 77 HB2 GLU 77 78.600 5.992 -15.114 579 HB3 GLU 77 HB1 GLU 77 78.863 4.638 -16.213 580 HG2 GLU 77 HG2 GLU 77 76.424 4.581 -16.692 581 HG3 GLU 77 HG1 GLU 77 76.204 5.985 -15.647 582 H LEU 78 HN LEU 78 80.060 4.789 -13.404 583 HA LEU 78 HA LEU 78 82.114 3.684 -13.071 584 HG LEU 78 HG LEU 78 82.383 3.258 -10.804 585 HB2 LEU 78 HB2 LEU 78 79.981 1.853 -12.016 586 HB3 LEU 78 HB1 LEU 78 81.641 1.260 -12.079 587 HD11 LEU 78 HD11 LEU 78 79.406 3.835 -10.716 588 HD12 LEU 78 HD12 LEU 78 80.644 4.825 -11.489 589 HD13 LEU 78 HD13 LEU 78 80.614 4.663 -9.733 590 HD21 LEU 78 HD21 LEU 78 80.084 1.888 -9.385 591 HD22 LEU 78 HD22 LEU 78 81.570 2.514 -8.671 592 HD23 LEU 78 HD23 LEU 78 81.622 1.086 -9.705 593 H HIS 79 HN HIS 79 80.929 0.518 -13.552 594 HA HIS 79 HA HIS 79 80.771 -0.088 -16.183 595 HD1 HIS 79 HD1 HIS 79 81.805 -1.081 -18.431 596 HD2 HIS 79 HD2 HIS 79 85.355 -1.373 -16.261 597 HE1 HIS 79 HE1 HIS 79 83.107 -3.001 -19.446 598 HE2 HIS 79 HE2 HIS 79 85.271 -3.190 -18.134 599 HB2 HIS 79 HB2 HIS 79 82.643 1.161 -16.927 600 HB3 HIS 79 HB1 HIS 79 83.633 0.660 -15.556 601 H GLU 80 HN GLU 80 81.677 -0.817 -13.064 602 HA GLU 80 HA GLU 80 82.683 -3.527 -13.591 603 HB2 GLU 80 HB2 GLU 80 81.777 -2.459 -10.917 604 HB3 GLU 80 HB1 GLU 80 82.984 -3.701 -11.250 605 HG2 GLU 80 HG2 GLU 80 84.386 -1.947 -12.374 606 HG3 GLU 80 HG1 GLU 80 83.221 -0.737 -11.837 607 H LEU 81 HN LEU 81 80.849 -4.002 -10.967 608 HA LEU 81 HA LEU 81 78.798 -5.423 -12.521 609 HG LEU 81 HG LEU 81 79.627 -5.772 -8.363 610 HB2 LEU 81 HB2 LEU 81 78.021 -6.065 -10.112 611 HB3 LEU 81 HB1 LEU 81 79.518 -6.748 -10.734 612 HD11 LEU 81 HD11 LEU 81 81.451 -5.583 -10.588 613 HD12 LEU 81 HD12 LEU 81 81.816 -5.844 -8.882 614 HD13 LEU 81 HD13 LEU 81 81.686 -4.203 -9.515 615 HD21 LEU 81 HD21 LEU 81 79.681 -3.152 -9.883 616 HD22 LEU 81 HD22 LEU 81 79.726 -3.381 -8.135 617 HD23 LEU 81 HD23 LEU 81 78.252 -3.739 -9.033 618 H ALA 82 HN ALA 82 78.857 -2.408 -12.322 619 HA ALA 82 HA ALA 82 76.659 -1.567 -10.670 620 HB1 ALA 82 HB1 ALA 82 77.638 -0.295 -13.243 621 HB2 ALA 82 HB2 ALA 82 78.378 -0.031 -11.664 622 HB3 ALA 82 HB3 ALA 82 76.721 0.493 -11.959 623 H GLN 83 HN GLN 83 76.336 -3.916 -12.680 624 HA GLN 83 HA GLN 83 74.613 -4.765 -14.021 625 HB2 GLN 83 HB2 GLN 83 73.392 -2.998 -12.047 626 HB3 GLN 83 HB1 GLN 83 72.447 -3.035 -13.533 627 HG2 GLN 83 HG2 GLN 83 73.427 -5.528 -12.116 628 HG3 GLN 83 HG1 GLN 83 71.828 -4.827 -11.860 629 HE21 GLN 83 HE21 GLN 83 71.124 -7.030 -12.802 630 HE22 GLN 83 HE22 GLN 83 71.027 -7.161 -14.492 631 H TYR 84 HN TYR 84 73.446 -1.414 -14.105 632 HA TYR 84 HA TYR 84 74.531 -1.096 -16.850 633 HD1 TYR 84 HD2 TYR 84 73.736 -1.445 -19.182 634 HD2 TYR 84 HD1 TYR 84 71.169 -3.461 -16.390 635 HE1 TYR 84 HE2 TYR 84 73.842 -3.499 -20.569 636 HE2 TYR 84 HE1 TYR 84 71.274 -5.515 -17.777 637 HH TYR 84 HH TYR 84 72.282 -6.511 -19.510 638 HB2 TYR 84 HB2 TYR 84 71.611 -1.180 -16.104 639 HB3 TYR 84 HB1 TYR 84 72.154 -0.223 -17.483 640 H GLY 85 HN GLY 85 73.095 0.262 -13.947 641 HA2 GLY 85 HA2 GLY 85 74.550 2.514 -13.639 642 HA3 GLY 85 HA1 GLY 85 73.458 3.023 -14.927 643 H ILE 86 HN ILE 86 72.583 0.820 -12.298 644 HA ILE 86 HA ILE 86 71.122 2.974 -10.914 645 HB ILE 86 HB ILE 86 68.951 1.823 -11.031 646 HG12 ILE 86 HG12 ILE 86 69.836 -0.475 -11.293 647 HG13 ILE 86 HG11 ILE 86 68.662 -0.098 -12.554 648 HG21 ILE 86 HG21 ILE 86 69.644 3.508 -12.781 649 HG22 ILE 86 HG22 ILE 86 68.417 2.363 -13.323 650 HG23 ILE 86 HG23 ILE 86 70.097 2.154 -13.816 651 HD11 ILE 86 HD11 ILE 86 70.843 0.722 -13.844 652 HD12 ILE 86 HD12 ILE 86 70.358 -0.973 -13.859 653 HD13 ILE 86 HD13 ILE 86 71.626 -0.429 -12.762 654 H1U RCY 87 H1U RCY 87 73.674 -3.187 -3.579 655 H1S RCY 87 H1S RCY 87 70.463 -2.369 -6.564 656 HB1 RCY 87 HB1 RCY 87 72.624 -3.106 -9.009 657 HB2 RCY 87 HB2 RCY 87 71.750 -2.601 -10.454 658 HA RCY 87 HA RCY 87 71.278 -0.815 -8.181 659 HN1 RCY 87 HN1 RCY 87 71.751 -0.547 -11.060 Start of MODEL 20 1 HA MET 1 HA MET 1 76.320 -20.272 5.259 2 HB2 MET 1 HB2 MET 1 73.395 -20.977 5.605 3 HB3 MET 1 HB1 MET 1 74.795 -21.845 6.238 4 HG2 MET 1 HG2 MET 1 73.981 -20.608 8.091 5 HG3 MET 1 HG1 MET 1 75.351 -19.667 7.500 6 HE1 MET 1 HE1 MET 1 71.589 -19.319 8.558 7 HE2 MET 1 HE2 MET 1 71.754 -20.446 7.213 8 HE3 MET 1 HE3 MET 1 70.891 -18.927 6.981 9 H ASN 2 HN ASN 2 74.650 -22.615 4.465 10 HA ASN 2 HA ASN 2 75.484 -22.845 1.755 11 HB2 ASN 2 HB2 ASN 2 73.379 -24.644 1.983 12 HB3 ASN 2 HB1 ASN 2 75.051 -24.973 2.430 13 HD21 ASN 2 HD21 ASN 2 72.474 -22.986 4.003 14 HD22 ASN 2 HD22 ASN 2 72.605 -23.752 5.512 15 H LEU 3 HN LEU 3 73.292 -23.746 0.294 16 HA LEU 3 HA LEU 3 72.275 -21.494 -0.953 17 HG LEU 3 HG LEU 3 73.112 -23.516 -2.121 18 HB2 LEU 3 HB2 LEU 3 71.094 -24.242 -0.563 19 HB3 LEU 3 HB1 LEU 3 70.225 -23.012 -1.480 20 HD11 LEU 3 HD11 LEU 3 72.311 -25.762 -2.163 21 HD12 LEU 3 HD12 LEU 3 72.240 -25.209 -3.836 22 HD13 LEU 3 HD13 LEU 3 70.769 -25.276 -2.867 23 HD21 LEU 3 HD21 LEU 3 71.917 -21.661 -3.199 24 HD22 LEU 3 HD22 LEU 3 70.654 -22.767 -3.738 25 HD23 LEU 3 HD23 LEU 3 72.287 -22.909 -4.388 26 H GLU 4 HN GLU 4 71.003 -19.850 -0.272 27 HA GLU 4 HA GLU 4 69.362 -20.238 2.183 28 HB2 GLU 4 HB2 GLU 4 69.151 -17.637 1.865 29 HB3 GLU 4 HB1 GLU 4 70.664 -18.309 2.472 30 HG2 GLU 4 HG2 GLU 4 70.213 -17.906 -0.483 31 HG3 GLU 4 HG1 GLU 4 70.811 -16.597 0.537 32 HA PRO 5 HA PRO 5 65.401 -20.444 0.260 33 HB2 PRO 5 HB2 PRO 5 64.865 -17.798 1.577 34 HB3 PRO 5 HB1 PRO 5 63.854 -19.256 1.532 35 HG2 PRO 5 HG2 PRO 5 65.337 -18.600 3.672 36 HG3 PRO 5 HG1 PRO 5 65.016 -20.279 3.212 37 HD2 PRO 5 HD2 PRO 5 67.549 -18.779 3.086 38 HD3 PRO 5 HD1 PRO 5 67.279 -20.533 3.024 39 HA PRO 6 HA PRO 6 65.863 -17.876 -3.360 40 HB2 PRO 6 HB2 PRO 6 63.403 -18.226 -4.503 41 HB3 PRO 6 HB1 PRO 6 64.653 -19.486 -4.496 42 HG2 PRO 6 HG2 PRO 6 62.270 -19.187 -2.736 43 HG3 PRO 6 HG1 PRO 6 62.959 -20.646 -3.467 44 HD2 PRO 6 HD2 PRO 6 63.380 -19.958 -0.849 45 HD3 PRO 6 HD1 PRO 6 64.554 -20.890 -1.805 46 H LYS 7 HN LYS 7 65.647 -15.686 -3.690 47 HA LYS 7 HA LYS 7 64.091 -14.068 -1.925 48 HB2 LYS 7 HB2 LYS 7 64.631 -12.213 -3.561 49 HB3 LYS 7 HB1 LYS 7 66.032 -13.093 -2.954 50 HG2 LYS 7 HG2 LYS 7 65.877 -14.565 -5.013 51 HG3 LYS 7 HG1 LYS 7 64.669 -13.440 -5.637 52 HD2 LYS 7 HD2 LYS 7 66.233 -11.632 -5.675 53 HD3 LYS 7 HD1 LYS 7 67.410 -12.541 -4.726 54 HE2 LYS 7 HE2 LYS 7 67.803 -12.401 -7.275 55 HE3 LYS 7 HE1 LYS 7 67.912 -13.994 -6.526 56 HZ1 LYS 7 HZ1 LYS 7 66.366 -13.405 -8.641 57 HZ2 LYS 7 HZ2 LYS 7 65.255 -13.244 -7.365 58 HZ3 LYS 7 HZ3 LYS 7 66.094 -14.705 -7.586 59 H ALA 8 HN ALA 8 63.598 -14.875 -5.342 60 HA ALA 8 HA ALA 8 61.682 -14.574 -6.697 61 HB1 ALA 8 HB1 ALA 8 60.593 -15.788 -4.146 62 HB2 ALA 8 HB2 ALA 8 61.095 -16.640 -5.606 63 HB3 ALA 8 HB3 ALA 8 59.648 -15.632 -5.626 64 H GLU 9 HN GLU 9 61.524 -12.287 -6.862 65 HA GLU 9 HA GLU 9 60.635 -10.453 -4.961 66 HB2 GLU 9 HB2 GLU 9 59.754 -10.390 -7.858 67 HB3 GLU 9 HB1 GLU 9 60.010 -9.016 -6.782 68 HG2 GLU 9 HG2 GLU 9 62.434 -9.749 -6.600 69 HG3 GLU 9 HG1 GLU 9 62.106 -10.888 -7.906 70 H1U RCY 10 H1U RCY 10 60.223 -7.313 -0.578 71 H1S RCY 10 H1S RCY 10 57.412 -11.259 -0.931 72 HB1 RCY 10 HB1 RCY 10 55.323 -11.214 -3.328 73 HB2 RCY 10 HB2 RCY 10 56.468 -9.966 -2.837 74 HA RCY 10 HA RCY 10 56.152 -11.224 -5.571 75 HN1 RCY 10 HN1 RCY 10 58.358 -9.321 -5.086 76 H ARG 11 HN ARG 11 56.316 -8.321 -3.506 77 HA ARG 11 HA ARG 11 54.552 -6.937 -5.498 78 HE ARG 11 HE ARG 11 52.859 -7.289 -1.021 79 HB2 ARG 11 HB2 ARG 11 54.509 -6.836 -2.467 80 HB3 ARG 11 HB1 ARG 11 53.605 -5.723 -3.495 81 HG2 ARG 11 HG2 ARG 11 52.671 -7.878 -4.618 82 HG3 ARG 11 HG1 ARG 11 53.239 -8.696 -3.162 83 HD2 ARG 11 HD2 ARG 11 51.256 -6.410 -3.311 84 HD3 ARG 11 HD1 ARG 11 50.932 -8.067 -2.801 85 HH11 ARG 11 HH21 ARG 11 49.947 -5.863 -2.193 86 HH12 ARG 11 HH22 ARG 11 49.618 -5.007 -0.724 87 HH21 ARG 11 HH11 ARG 11 52.446 -6.179 0.904 88 HH22 ARG 11 HH12 ARG 11 51.033 -5.186 1.030 89 H SER 12 HN SER 12 57.292 -6.687 -5.756 90 HA SER 12 HA SER 12 57.982 -4.098 -4.441 91 HG SER 12 HG SER 12 60.056 -5.199 -3.315 92 HB2 SER 12 HB2 SER 12 59.661 -6.140 -5.919 93 HB3 SER 12 HB1 SER 12 60.279 -4.583 -5.377 94 H ALA 13 HN ALA 13 59.460 -2.736 -6.088 95 HA ALA 13 HA ALA 13 59.416 -1.360 -7.988 96 HB1 ALA 13 HB1 ALA 13 59.259 -2.458 -10.088 97 HB2 ALA 13 HB2 ALA 13 58.201 -3.714 -9.443 98 HB3 ALA 13 HB3 ALA 13 59.906 -3.681 -8.994 99 H THR 14 HN THR 14 57.049 -1.495 -6.218 100 HA THR 14 HA THR 14 54.579 -1.575 -7.520 101 HB THR 14 HB THR 14 55.341 0.591 -5.546 102 HG1 THR 14 HG1 THR 14 54.676 -2.131 -5.120 103 HG21 THR 14 HG21 THR 14 53.028 0.488 -4.903 104 HG22 THR 14 HG22 THR 14 52.761 -0.954 -5.882 105 HG23 THR 14 HG23 THR 14 53.068 0.597 -6.663 106 H ARG 15 HN ARG 15 56.386 1.477 -6.996 107 HA ARG 15 HA ARG 15 56.162 2.282 -9.760 108 HE ARG 15 HE ARG 15 51.637 3.682 -9.115 109 HB2 ARG 15 HB2 ARG 15 53.785 2.537 -9.050 110 HB3 ARG 15 HB1 ARG 15 54.305 3.656 -7.790 111 HG2 ARG 15 HG2 ARG 15 54.750 5.347 -9.281 112 HG3 ARG 15 HG1 ARG 15 55.248 4.234 -10.555 113 HD2 ARG 15 HD2 ARG 15 53.058 5.443 -10.987 114 HD3 ARG 15 HD1 ARG 15 52.971 3.685 -11.083 115 HH11 ARG 15 HH21 ARG 15 53.078 6.744 -9.774 116 HH12 ARG 15 HH22 ARG 15 52.144 7.589 -8.585 117 HH21 ARG 15 HH11 ARG 15 50.409 4.767 -7.558 118 HH22 ARG 15 HH12 ARG 15 50.633 6.470 -7.330 119 H VAL 16 HN VAL 16 58.361 2.222 -8.153 120 HA VAL 16 HA VAL 16 58.767 4.946 -7.053 121 HB VAL 16 HB VAL 16 60.584 2.516 -7.086 122 HG11 VAL 16 HG11 VAL 16 61.819 3.861 -5.330 123 HG12 VAL 16 HG12 VAL 16 60.835 5.248 -5.800 124 HG13 VAL 16 HG13 VAL 16 61.933 4.510 -6.966 125 HG21 VAL 16 HG21 VAL 16 59.996 2.353 -4.707 126 HG22 VAL 16 HG22 VAL 16 58.536 2.280 -5.693 127 HG23 VAL 16 HG23 VAL 16 58.957 3.771 -4.850 128 H MET 17 HN MET 17 59.960 2.843 -9.659 129 HA MET 17 HA MET 17 60.818 5.229 -11.145 130 HB2 MET 17 HB2 MET 17 62.745 4.432 -9.584 131 HB3 MET 17 HB1 MET 17 62.890 3.079 -10.705 132 HG2 MET 17 HG2 MET 17 62.942 5.987 -11.557 133 HG3 MET 17 HG1 MET 17 64.389 5.021 -11.267 134 HE1 MET 17 HE1 MET 17 64.384 5.325 -15.076 135 HE2 MET 17 HE2 MET 17 65.480 4.970 -13.743 136 HE3 MET 17 HE3 MET 17 64.400 6.358 -13.641 137 H GLY 18 HN GLY 18 61.824 1.813 -11.400 138 HA2 GLY 18 HA2 GLY 18 59.894 1.244 -13.506 139 HA3 GLY 18 HA1 GLY 18 61.524 1.495 -14.132 140 H GLY 19 HN GLY 19 60.425 -0.987 -14.489 141 HA2 GLY 19 HA2 GLY 19 61.253 -2.751 -12.283 142 HA3 GLY 19 HA1 GLY 19 60.540 -3.269 -13.811 143 HA PRO 20 HA PRO 20 64.265 -4.478 -15.797 144 HB2 PRO 20 HB2 PRO 20 64.152 -1.978 -17.452 145 HB3 PRO 20 HB1 PRO 20 64.395 -3.658 -17.968 146 HG2 PRO 20 HG2 PRO 20 62.040 -2.418 -18.237 147 HG3 PRO 20 HG1 PRO 20 62.161 -4.149 -17.886 148 HD2 PRO 20 HD2 PRO 20 61.270 -1.947 -16.120 149 HD3 PRO 20 HD1 PRO 20 60.938 -3.689 -16.005 150 H1U RCY 21 H1U RCY 21 69.487 2.700 -9.343 151 H1S RCY 21 H1S RCY 21 67.528 -1.234 -11.155 152 HB1 RCY 21 HB1 RCY 21 67.777 -4.271 -12.792 153 HB2 RCY 21 HB2 RCY 21 66.839 -2.954 -12.088 154 HA RCY 21 HA RCY 21 67.209 -1.576 -14.060 155 HN1 RCY 21 HN1 RCY 21 66.213 -4.310 -14.761 156 H THR 22 HN THR 22 68.460 -1.081 -15.871 157 HA THR 22 HA THR 22 70.328 -3.096 -16.938 158 HB THR 22 HB THR 22 69.429 -1.831 -18.682 159 HG1 THR 22 HG1 THR 22 71.615 -0.169 -18.070 160 HG21 THR 22 HG21 THR 22 69.326 0.721 -18.495 161 HG22 THR 22 HG22 THR 22 69.674 0.504 -16.780 162 HG23 THR 22 HG23 THR 22 68.206 -0.183 -17.476 163 HA PRO 23 HA PRO 23 73.561 -1.977 -13.999 164 HB2 PRO 23 HB2 PRO 23 75.231 -2.661 -16.400 165 HB3 PRO 23 HB1 PRO 23 75.433 -3.164 -14.709 166 HG2 PRO 23 HG2 PRO 23 74.387 -4.799 -16.537 167 HG3 PRO 23 HG1 PRO 23 73.814 -4.789 -14.862 168 HD2 PRO 23 HD2 PRO 23 72.456 -3.793 -17.308 169 HD3 PRO 23 HD1 PRO 23 71.753 -4.327 -15.765 170 H ARG 24 HN ARG 24 75.270 -0.326 -13.836 171 HA ARG 24 HA ARG 24 74.623 2.130 -15.138 172 HE ARG 24 HE ARG 24 73.163 3.105 -13.858 173 HB2 ARG 24 HB2 ARG 24 76.834 1.157 -13.375 174 HB3 ARG 24 HB1 ARG 24 77.127 2.640 -14.279 175 HG2 ARG 24 HG2 ARG 24 76.107 3.006 -12.001 176 HG3 ARG 24 HG1 ARG 24 75.170 3.690 -13.330 177 HD2 ARG 24 HD2 ARG 24 74.532 0.883 -12.603 178 HD3 ARG 24 HD1 ARG 24 74.080 2.110 -11.420 179 HH11 ARG 24 HH21 ARG 24 72.803 0.241 -11.972 180 HH12 ARG 24 HH22 ARG 24 71.191 -0.078 -12.521 181 HH21 ARG 24 HH11 ARG 24 71.061 2.705 -14.586 182 HH22 ARG 24 HH12 ARG 24 70.205 1.317 -14.001 183 H LYS 25 HN LYS 25 77.955 1.954 -15.455 184 HA LYS 25 HA LYS 25 77.819 1.094 -18.311 185 HB2 LYS 25 HB2 LYS 25 79.190 3.610 -17.307 186 HB3 LYS 25 HB1 LYS 25 79.165 3.033 -18.973 187 HG2 LYS 25 HG2 LYS 25 76.832 3.432 -19.192 188 HG3 LYS 25 HG1 LYS 25 76.618 3.602 -17.449 189 HD2 LYS 25 HD2 LYS 25 76.583 5.811 -18.509 190 HD3 LYS 25 HD1 LYS 25 78.021 5.653 -17.500 191 HE2 LYS 25 HE2 LYS 25 79.434 5.304 -19.382 192 HE3 LYS 25 HE1 LYS 25 78.063 5.007 -20.451 193 HZ1 LYS 25 HZ1 LYS 25 77.366 7.345 -19.966 194 HZ2 LYS 25 HZ2 LYS 25 78.799 7.196 -20.866 195 HZ3 LYS 25 HZ3 LYS 25 78.868 7.576 -19.211 196 H GLY 26 HN GLY 26 80.084 2.243 -15.788 197 HA2 GLY 26 HA2 GLY 26 81.628 0.262 -15.047 198 HA3 GLY 26 HA1 GLY 26 82.069 0.239 -16.756 199 HA PRO 27 HA PRO 27 84.967 3.554 -16.622 200 HB2 PRO 27 HB2 PRO 27 82.964 5.513 -17.683 201 HB3 PRO 27 HB1 PRO 27 84.596 5.144 -18.271 202 HG2 PRO 27 HG2 PRO 27 82.423 4.247 -19.523 203 HG3 PRO 27 HG1 PRO 27 83.909 3.288 -19.427 204 HD2 PRO 27 HD2 PRO 27 81.328 2.898 -17.995 205 HD3 PRO 27 HD1 PRO 27 82.556 1.699 -18.456 206 HA PRO 28 HA PRO 28 84.790 5.895 -12.875 207 HB2 PRO 28 HB2 PRO 28 85.172 8.341 -14.578 208 HB3 PRO 28 HB1 PRO 28 86.001 7.875 -13.079 209 HG2 PRO 28 HG2 PRO 28 87.131 7.546 -15.480 210 HG3 PRO 28 HG1 PRO 28 87.399 6.407 -14.152 211 HD2 PRO 28 HD2 PRO 28 85.859 6.024 -16.647 212 HD3 PRO 28 HD1 PRO 28 86.540 4.807 -15.547 213 H LYS 29 HN LYS 29 83.001 6.532 -11.736 214 HA LYS 29 HA LYS 29 80.564 7.266 -13.126 215 HB2 LYS 29 HB2 LYS 29 80.939 6.026 -10.814 216 HB3 LYS 29 HB1 LYS 29 80.907 7.665 -10.168 217 HG2 LYS 29 HG2 LYS 29 78.644 7.111 -10.088 218 HG3 LYS 29 HG1 LYS 29 78.746 7.895 -11.665 219 HD2 LYS 29 HD2 LYS 29 77.684 5.959 -12.314 220 HD3 LYS 29 HD1 LYS 29 79.352 5.395 -12.424 221 HE2 LYS 29 HE2 LYS 29 77.327 4.874 -10.257 222 HE3 LYS 29 HE1 LYS 29 78.323 3.718 -11.140 223 HZ1 LYS 29 HZ1 LYS 29 80.271 4.563 -10.026 224 HZ2 LYS 29 HZ2 LYS 29 79.118 4.089 -8.873 225 HZ3 LYS 29 HZ3 LYS 29 79.350 5.736 -9.218 226 H1U RCY 30 H1U RCY 30 82.451 8.992 -6.660 227 H1S RCY 30 H1S RCY 30 82.719 12.609 -8.445 228 HB1 RCY 30 HB1 RCY 30 80.615 11.026 -10.309 229 HB2 RCY 30 HB2 RCY 30 80.454 11.865 -11.850 230 HA RCY 30 HA RCY 30 82.676 11.482 -12.442 231 HN1 RCY 30 HN1 RCY 30 82.914 9.022 -11.106 232 H LYS 31 HN LYS 31 82.971 9.971 -9.255 233 HA LYS 31 HA LYS 31 85.634 10.977 -8.874 234 HB2 LYS 31 HB2 LYS 31 83.873 12.965 -8.409 235 HB3 LYS 31 HB1 LYS 31 83.823 12.189 -6.828 236 HG2 LYS 31 HG2 LYS 31 85.596 13.679 -6.547 237 HG3 LYS 31 HG1 LYS 31 86.449 12.220 -7.051 238 HD2 LYS 31 HD2 LYS 31 86.149 13.127 -9.461 239 HD3 LYS 31 HD1 LYS 31 85.794 14.670 -8.683 240 HE2 LYS 31 HE2 LYS 31 88.339 13.046 -8.507 241 HE3 LYS 31 HE1 LYS 31 88.143 14.692 -9.110 242 HZ1 LYS 31 HZ1 LYS 31 88.869 15.135 -7.021 243 HZ2 LYS 31 HZ2 LYS 31 88.217 13.713 -6.357 244 HZ3 LYS 31 HZ3 LYS 31 87.207 15.038 -6.691 245 H GLN 32 HN GLN 32 86.352 10.495 -6.524 246 HA GLN 32 HA GLN 32 86.623 8.810 -4.909 247 HB2 GLN 32 HB2 GLN 32 84.559 10.041 -4.092 248 HB3 GLN 32 HB1 GLN 32 83.593 8.797 -4.886 249 HG2 GLN 32 HG2 GLN 32 84.970 7.093 -3.551 250 HG3 GLN 32 HG1 GLN 32 85.532 8.464 -2.592 251 HE21 GLN 32 HE21 GLN 32 83.178 6.096 -2.627 252 HE22 GLN 32 HE22 GLN 32 81.988 6.879 -1.705 253 H ARG 33 HN ARG 33 87.276 7.509 -6.953 254 HA ARG 33 HA ARG 33 85.783 4.970 -6.864 255 HE ARG 33 HE ARG 33 87.656 7.487 -12.368 256 HB2 ARG 33 HB2 ARG 33 85.799 4.885 -9.425 257 HB3 ARG 33 HB1 ARG 33 84.600 5.938 -8.683 258 HG2 ARG 33 HG2 ARG 33 85.475 7.410 -10.239 259 HG3 ARG 33 HG1 ARG 33 86.572 7.727 -8.894 260 HD2 ARG 33 HD2 ARG 33 88.260 6.300 -9.815 261 HD3 ARG 33 HD1 ARG 33 87.143 5.640 -11.010 262 HH11 ARG 33 HH21 ARG 33 88.247 8.155 -9.038 263 HH12 ARG 33 HH22 ARG 33 88.895 9.734 -9.332 264 HH21 ARG 33 HH11 ARG 33 88.499 9.546 -12.771 265 HH22 ARG 33 HH12 ARG 33 89.038 10.521 -11.446 266 H GLN 34 HN GLN 34 88.636 6.635 -6.896 267 HA GLN 34 HA GLN 34 90.228 4.672 -8.395 268 HB2 GLN 34 HB2 GLN 34 91.385 6.691 -6.480 269 HB3 GLN 34 HB1 GLN 34 92.071 6.067 -7.980 270 HG2 GLN 34 HG2 GLN 34 90.284 7.242 -9.255 271 HG3 GLN 34 HG1 GLN 34 89.685 7.924 -7.743 272 HE21 GLN 34 HE21 GLN 34 92.679 7.768 -9.740 273 HE22 GLN 34 HE22 GLN 34 93.258 9.289 -9.256 274 H THR 35 HN THR 35 88.652 3.548 -6.270 275 HA THR 35 HA THR 35 88.955 1.934 -4.593 276 HB THR 35 HB THR 35 91.927 2.347 -4.614 277 HG1 THR 35 HG1 THR 35 90.466 1.008 -6.642 278 HG21 THR 35 HG21 THR 35 91.888 -0.111 -4.416 279 HG22 THR 35 HG22 THR 35 90.132 -0.096 -4.579 280 HG23 THR 35 HG23 THR 35 90.893 0.640 -3.169 281 H ARG 36 HN ARG 36 88.629 4.772 -4.050 282 HA ARG 36 HA ARG 36 90.391 5.565 -1.899 283 HE ARG 36 HE ARG 36 91.979 6.098 -4.113 284 HB2 ARG 36 HB2 ARG 36 87.854 6.562 -3.109 285 HB3 ARG 36 HB1 ARG 36 88.178 7.063 -1.451 286 HG2 ARG 36 HG2 ARG 36 89.133 8.701 -2.994 287 HG3 ARG 36 HG1 ARG 36 90.436 7.848 -2.166 288 HD2 ARG 36 HD2 ARG 36 89.686 6.400 -4.545 289 HD3 ARG 36 HD1 ARG 36 90.044 8.077 -4.957 290 HH11 ARG 36 HH21 ARG 36 91.075 9.422 -3.983 291 HH12 ARG 36 HH22 ARG 36 92.696 9.992 -3.767 292 HH21 ARG 36 HH11 ARG 36 94.102 6.823 -3.832 293 HH22 ARG 36 HH12 ARG 36 94.410 8.521 -3.682 294 H GLN 37 HN GLN 37 89.877 3.069 -1.166 295 HA GLN 37 HA GLN 37 87.570 2.403 0.272 296 HB2 GLN 37 HB2 GLN 37 89.748 1.032 -0.149 297 HB3 GLN 37 HB1 GLN 37 90.308 1.753 1.360 298 HG2 GLN 37 HG2 GLN 37 89.275 -0.335 1.942 299 HG3 GLN 37 HG1 GLN 37 88.149 0.934 2.422 300 HE21 GLN 37 HE21 GLN 37 86.051 0.326 1.893 301 HE22 GLN 37 HE22 GLN 37 85.598 -0.492 0.475 302 H1U RCY 38 H1U RCY 38 84.710 0.313 0.502 303 H1S RCY 38 H1S RCY 38 86.890 3.565 2.120 304 HB1 RCY 38 HB1 RCY 38 87.693 6.792 3.918 305 HB2 RCY 38 HB2 RCY 38 87.545 5.044 4.096 306 HA RCY 38 HA RCY 38 89.575 6.633 2.553 307 HN1 RCY 38 HN1 RCY 38 89.620 5.010 0.856 308 H LYS 39 HN LYS 39 90.166 6.827 4.914 309 HA LYS 39 HA LYS 39 92.294 5.101 5.596 310 HB2 LYS 39 HB2 LYS 39 91.100 7.422 6.679 311 HB3 LYS 39 HB1 LYS 39 91.060 6.231 7.977 312 HG2 LYS 39 HG2 LYS 39 93.173 7.334 8.168 313 HG3 LYS 39 HG1 LYS 39 93.514 5.762 7.443 314 HD2 LYS 39 HD2 LYS 39 93.051 7.218 5.204 315 HD3 LYS 39 HD1 LYS 39 93.705 8.474 6.255 316 HE2 LYS 39 HE2 LYS 39 95.624 7.560 5.230 317 HE3 LYS 39 HE1 LYS 39 95.569 6.756 6.799 318 HZ1 LYS 39 HZ1 LYS 39 94.960 4.790 5.880 319 HZ2 LYS 39 HZ2 LYS 39 95.826 5.419 4.561 320 HZ3 LYS 39 HZ3 LYS 39 94.129 5.506 4.586 321 H SER 40 HN SER 40 91.903 4.254 8.226 322 HA SER 40 HA SER 40 90.626 1.735 7.843 323 HG SER 40 HG SER 40 92.646 1.080 9.093 324 HB2 SER 40 HB2 SER 40 91.316 3.198 10.407 325 HB3 SER 40 HB1 SER 40 90.830 1.507 10.321 326 H LYS 41 HN LYS 41 89.495 3.305 10.702 327 HA LYS 41 HA LYS 41 86.770 3.627 9.518 328 HB2 LYS 41 HB2 LYS 41 87.527 2.124 12.039 329 HB3 LYS 41 HB1 LYS 41 85.876 2.618 11.669 330 HG2 LYS 41 HG2 LYS 41 85.766 1.227 9.754 331 HG3 LYS 41 HG1 LYS 41 87.517 1.015 9.707 332 HD2 LYS 41 HD2 LYS 41 87.468 -0.310 11.740 333 HD3 LYS 41 HD1 LYS 41 85.746 0.011 11.953 334 HE2 LYS 41 HE2 LYS 41 85.213 -1.212 9.922 335 HE3 LYS 41 HE1 LYS 41 86.926 -1.424 9.557 336 HZ1 LYS 41 HZ1 LYS 41 86.889 -2.459 11.965 337 HZ2 LYS 41 HZ2 LYS 41 86.518 -3.384 10.589 338 HZ3 LYS 41 HZ3 LYS 41 85.269 -2.761 11.558 339 HA PRO 42 HA PRO 42 86.850 7.492 11.658 340 HB2 PRO 42 HB2 PRO 42 84.167 7.756 12.310 341 HB3 PRO 42 HB1 PRO 42 84.850 8.101 10.710 342 HG2 PRO 42 HG2 PRO 42 83.401 5.690 11.666 343 HG3 PRO 42 HG1 PRO 42 83.341 6.497 10.090 344 HD2 PRO 42 HD2 PRO 42 84.741 4.194 10.495 345 HD3 PRO 42 HD1 PRO 42 85.246 5.421 9.312 346 HA PRO 43 HA PRO 43 87.019 6.491 15.988 347 HB2 PRO 43 HB2 PRO 43 87.106 8.976 17.083 348 HB3 PRO 43 HB1 PRO 43 88.456 8.303 16.147 349 HG2 PRO 43 HG2 PRO 43 86.360 10.241 15.298 350 HG3 PRO 43 HG1 PRO 43 88.096 10.229 14.945 351 HD2 PRO 43 HD2 PRO 43 86.188 9.343 13.171 352 HD3 PRO 43 HD1 PRO 43 87.863 8.750 13.185 353 H LYS 44 HN LYS 44 85.345 5.745 17.217 354 HA LYS 44 HA LYS 44 83.277 5.651 18.313 355 HB2 LYS 44 HB2 LYS 44 84.311 8.303 18.661 356 HB3 LYS 44 HB1 LYS 44 82.572 8.433 18.413 357 HG2 LYS 44 HG2 LYS 44 83.760 6.431 20.341 358 HG3 LYS 44 HG1 LYS 44 83.363 8.077 20.834 359 HD2 LYS 44 HD2 LYS 44 81.030 7.672 19.918 360 HD3 LYS 44 HD1 LYS 44 81.474 5.973 19.753 361 HE2 LYS 44 HE2 LYS 44 82.075 5.969 22.198 362 HE3 LYS 44 HE1 LYS 44 81.409 7.598 22.310 363 HZ1 LYS 44 HZ1 LYS 44 79.649 5.756 20.997 364 HZ2 LYS 44 HZ2 LYS 44 79.340 6.821 22.285 365 HZ3 LYS 44 HZ3 LYS 44 80.008 5.288 22.588 366 H LYS 45 HN LYS 45 80.920 6.887 18.081 367 HA LYS 45 HA LYS 45 80.347 7.380 15.214 368 HB2 LYS 45 HB2 LYS 45 78.529 5.691 15.221 369 HB3 LYS 45 HB1 LYS 45 80.107 4.945 15.471 370 HG2 LYS 45 HG2 LYS 45 79.253 5.607 18.048 371 HG3 LYS 45 HG1 LYS 45 77.798 5.008 17.251 372 HD2 LYS 45 HD2 LYS 45 79.025 2.981 16.542 373 HD3 LYS 45 HD1 LYS 45 80.467 3.573 17.367 374 HE2 LYS 45 HE2 LYS 45 78.788 3.760 19.423 375 HE3 LYS 45 HE1 LYS 45 77.920 2.515 18.525 376 HZ1 LYS 45 HZ1 LYS 45 79.957 1.208 18.453 377 HZ2 LYS 45 HZ2 LYS 45 79.500 1.536 20.056 378 HZ3 LYS 45 HZ3 LYS 45 80.774 2.401 19.340 379 H GLY 46 HN GLY 46 77.491 6.547 16.556 380 HA2 GLY 46 HA2 GLY 46 76.820 8.516 18.443 381 HA3 GLY 46 HA1 GLY 46 76.603 9.269 16.863 382 H VAL 47 HN VAL 47 75.104 7.357 19.206 383 HA VAL 47 HA VAL 47 73.493 5.546 17.839 384 HB VAL 47 HB VAL 47 73.489 5.966 20.321 385 HG11 VAL 47 HG11 VAL 47 73.209 8.491 19.980 386 HG12 VAL 47 HG12 VAL 47 72.216 7.760 21.241 387 HG13 VAL 47 HG13 VAL 47 71.505 8.155 19.676 388 HG21 VAL 47 HG21 VAL 47 71.172 5.335 20.612 389 HG22 VAL 47 HG22 VAL 47 71.733 4.617 19.102 390 HG23 VAL 47 HG23 VAL 47 70.729 6.067 19.069 391 H GLN 48 HN GLN 48 73.574 8.948 17.446 392 HA GLN 48 HA GLN 48 71.429 8.784 15.446 393 HB2 GLN 48 HB2 GLN 48 70.384 9.286 17.772 394 HB3 GLN 48 HB1 GLN 48 71.133 10.874 17.606 395 HG2 GLN 48 HG2 GLN 48 69.921 11.311 15.563 396 HG3 GLN 48 HG1 GLN 48 69.314 9.655 15.511 397 HE21 GLN 48 HE21 GLN 48 68.008 9.026 17.609 398 HE22 GLN 48 HE22 GLN 48 66.967 10.219 18.221 399 H GLY 49 HN GLY 49 74.398 9.619 16.050 400 HA2 GLY 49 HA2 GLY 49 74.282 12.040 14.315 401 HA3 GLY 49 HA1 GLY 49 75.264 12.079 15.781 402 H1U RCY 50 H1U RCY 50 77.971 4.602 6.712 403 H1S RCY 50 H1S RCY 50 77.470 6.773 10.396 404 HB1 RCY 50 HB1 RCY 50 76.651 9.926 10.816 405 HB2 RCY 50 HB2 RCY 50 76.480 9.040 12.330 406 HA RCY 50 HA RCY 50 78.447 10.521 13.164 407 HN1 RCY 50 HN1 RCY 50 76.192 12.306 13.004 408 H GLY 51 HN GLY 51 76.460 12.770 11.362 409 HA2 GLY 51 HA2 GLY 51 77.929 14.765 10.605 410 HA3 GLY 51 HA1 GLY 51 78.830 13.539 9.711 411 H ASP 52 HN ASP 52 75.313 13.941 10.180 412 HA ASP 52 HA ASP 52 74.536 13.136 7.619 413 HB2 ASP 52 HB2 ASP 52 72.988 13.639 9.533 414 HB3 ASP 52 HB1 ASP 52 73.215 15.357 9.205 415 H ASP 53 HN ASP 53 75.454 16.409 8.693 416 HA ASP 53 HA ASP 53 76.017 18.312 7.439 417 HB2 ASP 53 HB2 ASP 53 76.737 16.266 5.319 418 HB3 ASP 53 HB1 ASP 53 77.352 17.913 5.448 419 H ILE 54 HN ILE 54 75.838 18.131 4.372 420 HA ILE 54 HA ILE 54 72.893 17.975 4.025 421 HB ILE 54 HB ILE 54 74.447 20.428 3.172 422 HG12 ILE 54 HG12 ILE 54 72.775 19.952 5.659 423 HG13 ILE 54 HG11 ILE 54 74.489 20.364 5.603 424 HG21 ILE 54 HG21 ILE 54 71.472 20.049 3.570 425 HG22 ILE 54 HG22 ILE 54 72.267 19.732 2.028 426 HG23 ILE 54 HG23 ILE 54 72.293 21.356 2.716 427 HD11 ILE 54 HD11 ILE 54 72.137 22.100 4.832 428 HD12 ILE 54 HD12 ILE 54 73.792 22.489 4.363 429 HD13 ILE 54 HD13 ILE 54 73.354 22.411 6.069 430 HA PRO 55 HA PRO 55 75.197 16.533 0.306 431 HB2 PRO 55 HB2 PRO 55 74.377 13.958 0.313 432 HB3 PRO 55 HB1 PRO 55 75.695 14.520 1.360 433 HG2 PRO 55 HG2 PRO 55 72.894 13.863 2.044 434 HG3 PRO 55 HG1 PRO 55 74.365 13.705 3.015 435 HD2 PRO 55 HD2 PRO 55 72.461 15.802 3.174 436 HD3 PRO 55 HD1 PRO 55 74.058 15.762 3.951 437 H GLY 56 HN GLY 56 72.042 14.990 0.992 438 HA2 GLY 56 HA2 GLY 56 70.994 16.180 -1.546 439 HA3 GLY 56 HA1 GLY 56 70.647 14.509 -1.092 440 H MET 57 HN MET 57 70.823 16.517 1.614 441 HA MET 57 HA MET 57 69.199 17.521 2.978 442 HB2 MET 57 HB2 MET 57 68.347 18.184 0.467 443 HB3 MET 57 HB1 MET 57 66.976 17.234 1.034 444 HG2 MET 57 HG2 MET 57 68.215 19.579 2.506 445 HG3 MET 57 HG1 MET 57 66.698 19.621 1.608 446 HE1 MET 57 HE1 MET 57 67.669 19.748 5.220 447 HE2 MET 57 HE2 MET 57 65.925 19.908 5.412 448 HE3 MET 57 HE3 MET 57 66.737 20.726 4.079 449 H GLU 58 HN GLU 58 68.671 14.525 1.300 450 HA GLU 58 HA GLU 58 67.409 13.433 3.722 451 HB2 GLU 58 HB2 GLU 58 65.454 12.521 2.546 452 HB3 GLU 58 HB1 GLU 58 65.464 14.279 2.457 453 HG2 GLU 58 HG2 GLU 58 66.824 12.763 0.264 454 HG3 GLU 58 HG1 GLU 58 65.060 12.795 0.276 455 H GLY 59 HN GLY 59 66.422 11.111 2.088 456 HA2 GLY 59 HA2 GLY 59 67.270 9.142 1.104 457 HA3 GLY 59 HA1 GLY 59 68.779 9.999 0.783 458 H1U RCY 60 H1U RCY 60 72.336 6.168 0.058 459 H1S RCY 60 H1S RCY 60 70.517 10.087 2.132 460 HB1 RCY 60 HB1 RCY 60 71.028 8.118 4.059 461 HB2 RCY 60 HB2 RCY 60 71.408 8.684 5.686 462 HA RCY 60 HA RCY 60 68.943 8.210 5.234 463 HN1 RCY 60 HN1 RCY 60 68.462 10.704 3.875 464 H GLY 61 HN GLY 61 67.638 9.114 6.859 465 HA2 GLY 61 HA2 GLY 61 68.916 10.665 8.874 466 HA3 GLY 61 HA1 GLY 61 67.898 11.743 7.918 467 H THR 62 HN THR 62 66.181 9.155 7.473 468 HA THR 62 HA THR 62 64.937 8.955 10.159 469 HB THR 62 HB THR 62 62.845 9.780 9.529 470 HG1 THR 62 HG1 THR 62 63.663 9.533 6.825 471 HG21 THR 62 HG21 THR 62 63.206 11.934 8.462 472 HG22 THR 62 HG22 THR 62 64.723 11.371 7.760 473 HG23 THR 62 HG23 THR 62 64.583 11.580 9.506 474 H ASP 63 HN ASP 63 64.511 8.019 6.724 475 HA ASP 63 HA ASP 63 63.216 5.528 7.353 476 HB2 ASP 63 HB2 ASP 63 63.871 4.952 4.953 477 HB3 ASP 63 HB1 ASP 63 62.898 6.410 5.152 478 H ILE 64 HN ILE 64 66.162 6.362 8.301 479 HA ILE 64 HA ILE 64 67.712 4.070 7.373 480 HB ILE 64 HB ILE 64 69.377 5.459 8.016 481 HG12 ILE 64 HG12 ILE 64 68.315 5.118 10.838 482 HG13 ILE 64 HG11 ILE 64 69.318 3.927 10.009 483 HG21 ILE 64 HG21 ILE 64 67.277 6.966 9.606 484 HG22 ILE 64 HG22 ILE 64 67.748 7.304 7.940 485 HG23 ILE 64 HG23 ILE 64 68.902 7.551 9.251 486 HD11 ILE 64 HD11 ILE 64 70.776 5.295 11.369 487 HD12 ILE 64 HD12 ILE 64 70.075 6.775 10.714 488 HD13 ILE 64 HD13 ILE 64 71.050 5.729 9.682 489 H THR 65 HN THR 65 65.824 4.920 10.199 490 HA THR 65 HA THR 65 65.503 3.703 12.220 491 HB THR 65 HB THR 65 63.678 2.990 10.771 492 HG1 THR 65 HG1 THR 65 63.284 1.582 12.251 493 HG21 THR 65 HG21 THR 65 65.718 1.015 9.720 494 HG22 THR 65 HG22 THR 65 64.893 2.283 8.814 495 HG23 THR 65 HG23 THR 65 63.988 0.889 9.403 496 H VAL 66 HN VAL 66 68.246 3.560 11.469 497 HA VAL 66 HA VAL 66 70.160 2.352 12.068 498 HB VAL 66 HB VAL 66 68.330 0.270 13.275 499 HG11 VAL 66 HG11 VAL 66 70.815 -0.124 13.111 500 HG12 VAL 66 HG12 VAL 66 70.200 -0.106 14.764 501 HG13 VAL 66 HG13 VAL 66 71.051 1.300 14.125 502 HG21 VAL 66 HG21 VAL 66 68.654 1.713 15.392 503 HG22 VAL 66 HG22 VAL 66 67.484 2.286 14.203 504 HG23 VAL 66 HG23 VAL 66 69.087 3.016 14.285 505 H ILE 67 HN ILE 67 67.468 0.538 10.687 506 HA ILE 67 HA ILE 67 69.419 -0.840 8.907 507 HB ILE 67 HB ILE 67 67.146 -2.150 10.429 508 HG12 ILE 67 HG12 ILE 67 70.093 -2.849 10.278 509 HG13 ILE 67 HG11 ILE 67 69.391 -1.860 11.559 510 HG21 ILE 67 HG21 ILE 67 67.030 -3.050 8.223 511 HG22 ILE 67 HG22 ILE 67 67.970 -4.216 9.154 512 HG23 ILE 67 HG23 ILE 67 68.786 -3.091 8.069 513 HD11 ILE 67 HD11 ILE 67 67.813 -3.734 12.073 514 HD12 ILE 67 HD12 ILE 67 69.504 -4.166 12.327 515 HD13 ILE 67 HD13 ILE 67 68.659 -4.723 10.883 516 H1U RCY 68 H1U RCY 68 70.650 2.339 -1.249 517 H1S RCY 68 H1S RCY 68 68.453 0.903 2.441 518 HB1 RCY 68 HB1 RCY 68 67.840 2.591 5.860 519 HB2 RCY 68 HB2 RCY 68 66.961 2.000 4.452 520 HA RCY 68 HA RCY 68 66.024 1.068 6.544 521 HN1 RCY 68 HN1 RCY 68 68.785 0.592 7.234 522 HA PRO 69 HA PRO 69 65.036 -2.681 4.421 523 HB2 PRO 69 HB2 PRO 69 63.509 -1.676 2.322 524 HB3 PRO 69 HB1 PRO 69 62.907 -1.962 3.965 525 HG2 PRO 69 HG2 PRO 69 63.782 0.574 2.691 526 HG3 PRO 69 HG1 PRO 69 62.467 0.278 3.841 527 HD2 PRO 69 HD2 PRO 69 64.828 1.392 4.605 528 HD3 PRO 69 HD1 PRO 69 63.882 0.345 5.687 529 H TRP 70 HN TRP 70 66.737 -0.118 2.834 530 HA TRP 70 HA TRP 70 67.222 -1.605 0.360 531 HD1 TRP 70 HD1 TRP 70 65.285 0.283 0.722 532 HE1 TRP 70 HE1 TRP 70 64.221 2.449 1.625 533 HE3 TRP 70 HE3 TRP 70 69.501 2.981 1.729 534 HZ2 TRP 70 HZ2 TRP 70 65.050 4.996 2.642 535 HZ3 TRP 70 HZ3 TRP 70 69.337 5.268 2.661 536 HH2 TRP 70 HH2 TRP 70 67.122 6.279 3.120 537 HB2 TRP 70 HB2 TRP 70 69.111 0.564 1.089 538 HB3 TRP 70 HB1 TRP 70 68.210 0.313 -0.404 539 H GLU 71 HN GLU 71 68.117 -2.302 3.363 540 HA GLU 71 HA GLU 71 70.992 -2.686 3.014 541 HB2 GLU 71 HB2 GLU 71 68.986 -3.117 5.140 542 HB3 GLU 71 HB1 GLU 71 70.269 -4.325 5.113 543 HG2 GLU 71 HG2 GLU 71 70.929 -1.391 4.921 544 HG3 GLU 71 HG1 GLU 71 70.652 -2.147 6.491 545 H ALA 72 HN ALA 72 68.075 -4.690 2.790 546 HA ALA 72 HA ALA 72 69.527 -7.155 2.309 547 HB1 ALA 72 HB1 ALA 72 67.117 -6.939 3.134 548 HB2 ALA 72 HB2 ALA 72 67.384 -8.121 1.853 549 HB3 ALA 72 HB3 ALA 72 66.683 -6.549 1.470 550 H1U RCY 73 H1U RCY 73 72.126 1.652 -5.347 551 H1S RCY 73 H1S RCY 73 69.703 -1.120 -3.695 552 HB1 RCY 73 HB1 RCY 73 71.863 -3.952 -1.681 553 HB2 RCY 73 HB2 RCY 73 70.435 -3.236 -0.941 554 HA RCY 73 HA RCY 73 69.285 -5.402 -2.054 555 HN1 RCY 73 HN1 RCY 73 70.335 -4.892 0.627 556 H ASN 74 HN ASN 74 70.034 -7.847 -1.322 557 HA ASN 74 HA ASN 74 71.433 -9.647 -1.895 558 HB2 ASN 74 HB2 ASN 74 72.834 -7.868 -3.877 559 HB3 ASN 74 HB1 ASN 74 72.385 -9.567 -4.031 560 HD21 ASN 74 HD21 ASN 74 69.957 -10.003 -4.197 561 HD22 ASN 74 HD22 ASN 74 68.987 -8.838 -4.961 562 H HIS 75 HN HIS 75 72.341 -7.182 -0.163 563 HA HIS 75 HA HIS 75 74.289 -6.467 0.933 564 HD1 HIS 75 HD1 HIS 75 72.158 -9.635 0.935 565 HD2 HIS 75 HD2 HIS 75 76.015 -10.923 0.006 566 HE1 HIS 75 HE1 HIS 75 71.907 -11.889 -0.192 567 HE2 HIS 75 HE2 HIS 75 74.248 -12.684 -0.763 568 HB2 HIS 75 HB2 HIS 75 75.777 -8.589 1.503 569 HB3 HIS 75 HB1 HIS 75 74.192 -8.377 2.241 570 H1U RCY 76 H1U RCY 76 72.745 -4.116 1.405 571 H1S RCY 76 H1S RCY 76 75.934 -3.979 -1.075 572 HB1 RCY 76 HB1 RCY 76 78.072 -5.426 -3.073 573 HB2 RCY 76 HB2 RCY 76 77.197 -5.278 -1.548 574 HA RCY 76 HA RCY 76 76.037 -6.828 -3.861 575 HN1 RCY 76 HN1 RCY 76 74.403 -7.015 -2.184 576 H GLU 77 HN GLU 77 77.022 -8.696 -4.463 577 HA GLU 77 HA GLU 77 78.311 -10.556 -2.793 578 HB2 GLU 77 HB2 GLU 77 78.896 -9.939 -5.706 579 HB3 GLU 77 HB1 GLU 77 79.392 -11.404 -4.859 580 HG2 GLU 77 HG2 GLU 77 77.381 -12.012 -5.961 581 HG3 GLU 77 HG1 GLU 77 76.897 -11.710 -4.292 582 H LEU 78 HN LEU 78 80.538 -9.474 -5.175 583 HA LEU 78 HA LEU 78 82.629 -8.438 -5.033 584 HG LEU 78 HG LEU 78 84.155 -7.045 -3.823 585 HB2 LEU 78 HB2 LEU 78 81.177 -6.815 -3.520 586 HB3 LEU 78 HB1 LEU 78 82.115 -7.535 -2.215 587 HD11 LEU 78 HD11 LEU 78 82.278 -4.813 -4.617 588 HD12 LEU 78 HD12 LEU 78 82.489 -6.252 -5.615 589 HD13 LEU 78 HD13 LEU 78 83.863 -5.195 -5.290 590 HD21 LEU 78 HD21 LEU 78 84.056 -6.030 -1.666 591 HD22 LEU 78 HD22 LEU 78 82.656 -5.053 -2.109 592 HD23 LEU 78 HD23 LEU 78 84.238 -4.692 -2.800 593 H HIS 79 HN HIS 79 82.637 -8.903 -1.534 594 HA HIS 79 HA HIS 79 83.660 -11.588 -1.583 595 HD1 HIS 79 HD1 HIS 79 88.193 -10.596 -1.157 596 HD2 HIS 79 HD2 HIS 79 84.911 -12.993 -0.216 597 HE1 HIS 79 HE1 HIS 79 89.107 -12.605 0.086 598 HE2 HIS 79 HE2 HIS 79 87.120 -14.072 0.665 599 HB2 HIS 79 HB2 HIS 79 85.574 -10.457 -2.688 600 HB3 HIS 79 HB1 HIS 79 85.740 -9.401 -1.285 601 H GLU 80 HN GLU 80 85.671 -10.023 0.512 602 HA GLU 80 HA GLU 80 84.227 -10.893 2.835 603 HB2 GLU 80 HB2 GLU 80 86.018 -9.360 3.997 604 HB3 GLU 80 HB1 GLU 80 86.535 -10.828 3.168 605 HG2 GLU 80 HG2 GLU 80 87.165 -9.580 1.199 606 HG3 GLU 80 HG1 GLU 80 86.452 -8.102 1.848 607 H LEU 81 HN LEU 81 83.189 -8.559 0.937 608 HA LEU 81 HA LEU 81 82.701 -6.510 3.033 609 HG LEU 81 HG LEU 81 83.583 -4.597 0.089 610 HB2 LEU 81 HB2 LEU 81 82.291 -6.642 0.053 611 HB3 LEU 81 HB1 LEU 81 81.391 -5.461 1.001 612 HD11 LEU 81 HD11 LEU 81 83.865 -4.626 3.060 613 HD12 LEU 81 HD12 LEU 81 82.355 -4.002 2.395 614 HD13 LEU 81 HD13 LEU 81 83.890 -3.261 1.943 615 HD21 LEU 81 HD21 LEU 81 84.751 -6.831 0.474 616 HD22 LEU 81 HD22 LEU 81 84.808 -6.408 2.185 617 HD23 LEU 81 HD23 LEU 81 85.650 -5.408 1.001 618 H ALA 82 HN ALA 82 80.871 -8.656 0.858 619 HA ALA 82 HA ALA 82 78.300 -8.002 1.982 620 HB1 ALA 82 HB1 ALA 82 78.385 -10.677 0.863 621 HB2 ALA 82 HB2 ALA 82 79.295 -9.566 -0.158 622 HB3 ALA 82 HB3 ALA 82 77.604 -9.232 0.218 623 H GLN 83 HN GLN 83 80.772 -9.283 3.612 624 HA GLN 83 HA GLN 83 79.552 -11.639 4.778 625 HB2 GLN 83 HB2 GLN 83 81.922 -9.912 5.467 626 HB3 GLN 83 HB1 GLN 83 81.337 -11.098 6.635 627 HG2 GLN 83 HG2 GLN 83 81.480 -12.844 4.831 628 HG3 GLN 83 HG1 GLN 83 82.245 -11.640 3.795 629 HE21 GLN 83 HE21 GLN 83 83.364 -14.191 5.089 630 HE22 GLN 83 HE22 GLN 83 84.755 -13.666 5.908 631 H TYR 84 HN TYR 84 77.411 -10.702 5.222 632 HA TYR 84 HA TYR 84 75.850 -10.079 6.871 633 HD1 TYR 84 HD2 TYR 84 76.366 -12.314 7.690 634 HD2 TYR 84 HD1 TYR 84 79.885 -10.383 9.220 635 HE1 TYR 84 HE2 TYR 84 77.536 -14.500 7.759 636 HE2 TYR 84 HE1 TYR 84 81.055 -12.569 9.289 637 HH TYR 84 HH TYR 84 80.845 -14.773 9.045 638 HB2 TYR 84 HB2 TYR 84 78.023 -9.092 8.697 639 HB3 TYR 84 HB1 TYR 84 76.505 -9.894 9.096 640 H GLY 85 HN GLY 85 78.087 -8.106 5.348 641 HA2 GLY 85 HA2 GLY 85 78.236 -5.760 5.061 642 HA3 GLY 85 HA1 GLY 85 76.472 -5.862 5.060 643 H ILE 86 HN ILE 86 79.070 -6.144 7.487 644 HA ILE 86 HA ILE 86 77.774 -5.525 9.805 645 HB ILE 86 HB ILE 86 80.232 -5.897 9.589 646 HG12 ILE 86 HG12 ILE 86 79.352 -3.436 11.132 647 HG13 ILE 86 HG11 ILE 86 79.321 -5.102 11.713 648 HG21 ILE 86 HG21 ILE 86 81.649 -4.352 8.659 649 HG22 ILE 86 HG22 ILE 86 80.682 -2.983 9.208 650 HG23 ILE 86 HG23 ILE 86 80.193 -3.891 7.777 651 HD11 ILE 86 HD11 ILE 86 81.317 -4.242 12.628 652 HD12 ILE 86 HD12 ILE 86 81.710 -3.349 11.159 653 HD13 ILE 86 HD13 ILE 86 81.864 -5.105 11.191 654 H1U RCY 87 H1U RCY 87 76.551 -3.851 4.420 655 H1S RCY 87 H1S RCY 87 73.719 -1.278 5.895 656 HB1 RCY 87 HB1 RCY 87 73.810 -2.394 9.628 657 HB2 RCY 87 HB2 RCY 87 74.289 -2.941 8.024 658 HA RCY 87 HA RCY 87 76.384 -1.401 8.430 659 HN1 RCY 87 HN1 RCY 87 75.933 -4.171 9.269 Start of MODEL 21 1 HA MET 1 HA MET 1 65.166 -21.973 18.082 2 HB2 MET 1 HB2 MET 1 67.559 -21.532 18.887 3 HB3 MET 1 HB1 MET 1 67.418 -19.954 18.112 4 HG2 MET 1 HG2 MET 1 65.542 -19.356 19.506 5 HG3 MET 1 HG1 MET 1 65.441 -20.991 20.159 6 HE1 MET 1 HE1 MET 1 68.217 -17.578 21.254 7 HE2 MET 1 HE2 MET 1 66.479 -17.529 20.972 8 HE3 MET 1 HE3 MET 1 67.571 -17.895 19.639 9 H ASN 2 HN ASN 2 66.724 -19.755 15.762 10 HA ASN 2 HA ASN 2 64.118 -18.282 15.581 11 HB2 ASN 2 HB2 ASN 2 66.971 -17.302 15.390 12 HB3 ASN 2 HB1 ASN 2 65.619 -16.363 14.757 13 HD21 ASN 2 HD21 ASN 2 67.385 -17.099 17.614 14 HD22 ASN 2 HD22 ASN 2 66.331 -16.367 18.725 15 H LEU 3 HN LEU 3 65.143 -20.665 14.053 16 HA LEU 3 HA LEU 3 65.828 -19.705 11.397 17 HG LEU 3 HG LEU 3 67.255 -23.013 11.950 18 HB2 LEU 3 HB2 LEU 3 64.983 -22.381 12.515 19 HB3 LEU 3 HB1 LEU 3 65.202 -22.138 10.783 20 HD11 LEU 3 HD11 LEU 3 67.945 -20.266 11.005 21 HD12 LEU 3 HD12 LEU 3 67.093 -21.325 9.881 22 HD13 LEU 3 HD13 LEU 3 68.648 -21.819 10.551 23 HD21 LEU 3 HD21 LEU 3 68.436 -21.659 13.504 24 HD22 LEU 3 HD22 LEU 3 66.753 -21.557 14.022 25 HD23 LEU 3 HD23 LEU 3 67.477 -20.232 13.111 26 H GLU 4 HN GLU 4 63.273 -18.778 12.781 27 HA GLU 4 HA GLU 4 61.114 -19.901 11.176 28 HB2 GLU 4 HB2 GLU 4 61.208 -17.395 12.886 29 HB3 GLU 4 HB1 GLU 4 59.746 -18.122 12.220 30 HG2 GLU 4 HG2 GLU 4 60.406 -20.262 13.439 31 HG3 GLU 4 HG1 GLU 4 61.621 -19.298 14.281 32 HA PRO 5 HA PRO 5 61.367 -17.678 7.366 33 HB2 PRO 5 HB2 PRO 5 58.667 -16.606 8.133 34 HB3 PRO 5 HB1 PRO 5 59.204 -17.292 6.587 35 HG2 PRO 5 HG2 PRO 5 57.758 -18.698 8.357 36 HG3 PRO 5 HG1 PRO 5 58.969 -19.448 7.307 37 HD2 PRO 5 HD2 PRO 5 59.050 -19.036 10.224 38 HD3 PRO 5 HD1 PRO 5 60.030 -20.121 9.216 39 HA PRO 6 HA PRO 6 62.645 -13.573 8.485 40 HB2 PRO 6 HB2 PRO 6 62.457 -12.281 6.076 41 HB3 PRO 6 HB1 PRO 6 63.732 -13.456 6.452 42 HG2 PRO 6 HG2 PRO 6 61.233 -13.825 4.881 43 HG3 PRO 6 HG1 PRO 6 62.859 -14.462 4.583 44 HD2 PRO 6 HD2 PRO 6 60.853 -15.967 5.686 45 HD3 PRO 6 HD1 PRO 6 62.574 -16.243 6.035 46 H LYS 7 HN LYS 7 61.805 -11.475 8.970 47 HA LYS 7 HA LYS 7 58.959 -11.300 9.284 48 HB2 LYS 7 HB2 LYS 7 60.904 -8.977 9.304 49 HB3 LYS 7 HB1 LYS 7 59.359 -9.093 10.147 50 HG2 LYS 7 HG2 LYS 7 60.239 -10.931 11.530 51 HG3 LYS 7 HG1 LYS 7 61.784 -10.835 10.683 52 HD2 LYS 7 HD2 LYS 7 61.901 -8.402 11.413 53 HD3 LYS 7 HD1 LYS 7 60.524 -8.737 12.463 54 HE2 LYS 7 HE2 LYS 7 62.558 -9.006 13.761 55 HE3 LYS 7 HE1 LYS 7 61.845 -10.598 13.505 56 HZ1 LYS 7 HZ1 LYS 7 63.670 -9.760 11.434 57 HZ2 LYS 7 HZ2 LYS 7 63.553 -11.248 12.245 58 HZ3 LYS 7 HZ3 LYS 7 64.397 -9.955 12.954 59 H ALA 8 HN ALA 8 57.999 -11.565 7.212 60 HA ALA 8 HA ALA 8 58.744 -9.773 5.014 61 HB1 ALA 8 HB1 ALA 8 57.222 -11.004 3.703 62 HB2 ALA 8 HB2 ALA 8 56.248 -11.464 5.100 63 HB3 ALA 8 HB3 ALA 8 57.829 -12.202 4.845 64 H GLU 9 HN GLU 9 55.966 -10.151 7.219 65 HA GLU 9 HA GLU 9 54.225 -8.663 7.734 66 HB2 GLU 9 HB2 GLU 9 56.639 -6.944 7.293 67 HB3 GLU 9 HB1 GLU 9 55.075 -6.146 7.458 68 HG2 GLU 9 HG2 GLU 9 55.942 -8.255 9.430 69 HG3 GLU 9 HG1 GLU 9 56.457 -6.578 9.617 70 H1U RCY 10 H1U RCY 10 54.527 -7.224 -2.482 71 H1S RCY 10 H1S RCY 10 53.446 -4.282 0.092 72 HB1 RCY 10 HB1 RCY 10 55.644 -5.208 2.862 73 HB2 RCY 10 HB2 RCY 10 54.937 -4.442 4.285 74 HA RCY 10 HA RCY 10 53.059 -6.249 3.990 75 HN1 RCY 10 HN1 RCY 10 55.578 -6.397 5.410 76 H ARG 11 HN ARG 11 52.518 -8.150 2.940 77 HA ARG 11 HA ARG 11 52.713 -9.966 1.450 78 HE ARG 11 HE ARG 11 50.179 -6.103 -1.782 79 HB2 ARG 11 HB2 ARG 11 54.165 -7.756 -0.033 80 HB3 ARG 11 HB1 ARG 11 53.667 -9.280 -0.770 81 HG2 ARG 11 HG2 ARG 11 51.327 -8.809 -0.247 82 HG3 ARG 11 HG1 ARG 11 51.788 -7.326 0.589 83 HD2 ARG 11 HD2 ARG 11 52.511 -6.290 -1.432 84 HD3 ARG 11 HD1 ARG 11 52.482 -7.818 -2.311 85 HH11 ARG 11 HH21 ARG 11 51.357 -9.283 -2.402 86 HH12 ARG 11 HH22 ARG 11 49.863 -9.850 -3.071 87 HH21 ARG 11 HH11 ARG 11 48.221 -6.824 -2.652 88 HH22 ARG 11 HH12 ARG 11 48.088 -8.458 -3.212 89 H SER 12 HN SER 12 54.794 -10.618 -0.351 90 HA SER 12 HA SER 12 56.701 -11.814 1.510 91 HG SER 12 HG SER 12 54.921 -13.024 -0.937 92 HB2 SER 12 HB2 SER 12 56.584 -11.848 -1.521 93 HB3 SER 12 HB1 SER 12 57.672 -12.826 -0.540 94 H ALA 13 HN ALA 13 58.038 -10.770 -1.496 95 HA ALA 13 HA ALA 13 59.155 -8.267 -0.584 96 HB1 ALA 13 HB1 ALA 13 60.408 -9.969 0.826 97 HB2 ALA 13 HB2 ALA 13 61.428 -8.933 -0.172 98 HB3 ALA 13 HB3 ALA 13 61.096 -10.590 -0.675 99 H THR 14 HN THR 14 57.923 -9.598 -2.967 100 HA THR 14 HA THR 14 60.130 -9.428 -4.952 101 HB THR 14 HB THR 14 58.823 -11.300 -5.463 102 HG1 THR 14 HG1 THR 14 58.598 -10.534 -7.393 103 HG21 THR 14 HG21 THR 14 56.506 -9.602 -4.540 104 HG22 THR 14 HG22 THR 14 57.073 -11.134 -3.876 105 HG23 THR 14 HG23 THR 14 56.255 -11.099 -5.438 106 H ARG 15 HN ARG 15 56.945 -8.623 -5.994 107 HA ARG 15 HA ARG 15 56.108 -6.649 -6.942 108 HE ARG 15 HE ARG 15 56.881 -4.004 -2.666 109 HB2 ARG 15 HB2 ARG 15 57.409 -5.838 -4.383 110 HB3 ARG 15 HB1 ARG 15 56.995 -4.545 -5.506 111 HG2 ARG 15 HG2 ARG 15 54.692 -5.107 -5.483 112 HG3 ARG 15 HG1 ARG 15 55.002 -6.689 -4.767 113 HD2 ARG 15 HD2 ARG 15 54.127 -4.714 -3.255 114 HD3 ARG 15 HD1 ARG 15 55.366 -5.810 -2.642 115 HH11 ARG 15 HH21 ARG 15 54.134 -3.418 -4.666 116 HH12 ARG 15 HH22 ARG 15 54.571 -1.778 -5.014 117 HH21 ARG 15 HH11 ARG 15 57.467 -1.866 -3.110 118 HH22 ARG 15 HH12 ARG 15 56.458 -0.900 -4.133 119 H VAL 16 HN VAL 16 56.985 -6.252 -8.932 120 HA VAL 16 HA VAL 16 58.527 -5.542 -10.559 121 HB VAL 16 HB VAL 16 59.478 -3.582 -8.466 122 HG11 VAL 16 HG11 VAL 16 60.582 -3.562 -10.671 123 HG12 VAL 16 HG12 VAL 16 59.627 -2.098 -10.438 124 HG13 VAL 16 HG13 VAL 16 59.012 -3.398 -11.459 125 HG21 VAL 16 HG21 VAL 16 57.050 -3.603 -8.289 126 HG22 VAL 16 HG22 VAL 16 56.887 -3.553 -10.045 127 HG23 VAL 16 HG23 VAL 16 57.535 -2.160 -9.179 128 H MET 17 HN MET 17 59.462 -7.781 -9.353 129 HA MET 17 HA MET 17 62.385 -7.271 -9.269 130 HB2 MET 17 HB2 MET 17 61.520 -7.298 -6.900 131 HB3 MET 17 HB1 MET 17 60.980 -8.954 -7.174 132 HG2 MET 17 HG2 MET 17 63.227 -9.713 -7.555 133 HG3 MET 17 HG1 MET 17 63.840 -8.060 -7.609 134 HE1 MET 17 HE1 MET 17 64.942 -10.261 -4.366 135 HE2 MET 17 HE2 MET 17 65.155 -10.166 -6.112 136 HE3 MET 17 HE3 MET 17 63.823 -11.105 -5.443 137 H GLY 18 HN GLY 18 61.701 -8.275 -11.477 138 HA2 GLY 18 HA2 GLY 18 62.582 -11.007 -11.519 139 HA3 GLY 18 HA1 GLY 18 60.833 -10.945 -11.745 140 H GLY 19 HN GLY 19 60.131 -9.254 -13.463 141 HA2 GLY 19 HA2 GLY 19 61.439 -9.921 -15.944 142 HA3 GLY 19 HA1 GLY 19 60.144 -8.737 -15.756 143 HA PRO 20 HA PRO 20 64.750 -7.041 -16.392 144 HB2 PRO 20 HB2 PRO 20 63.308 -6.098 -18.846 145 HB3 PRO 20 HB1 PRO 20 65.010 -6.559 -18.648 146 HG2 PRO 20 HG2 PRO 20 63.213 -8.191 -19.782 147 HG3 PRO 20 HG1 PRO 20 64.565 -8.796 -18.813 148 HD2 PRO 20 HD2 PRO 20 61.679 -8.752 -18.161 149 HD3 PRO 20 HD1 PRO 20 62.973 -9.760 -17.479 150 H1U RCY 21 H1U RCY 21 62.206 -2.997 -8.052 151 H1S RCY 21 H1S RCY 21 65.042 -4.398 -10.548 152 HB1 RCY 21 HB1 RCY 21 62.847 -4.299 -12.821 153 HB2 RCY 21 HB2 RCY 21 63.245 -2.583 -12.893 154 HA RCY 21 HA RCY 21 62.382 -3.415 -15.066 155 HN1 RCY 21 HN1 RCY 21 64.462 -5.483 -14.756 156 H THR 22 HN THR 22 62.929 -1.126 -15.176 157 HA THR 22 HA THR 22 65.676 -0.594 -16.237 158 HB THR 22 HB THR 22 63.178 0.785 -17.230 159 HG1 THR 22 HG1 THR 22 63.276 -1.567 -17.589 160 HG21 THR 22 HG21 THR 22 64.610 1.452 -19.066 161 HG22 THR 22 HG22 THR 22 65.919 0.431 -18.471 162 HG23 THR 22 HG23 THR 22 65.426 1.856 -17.555 163 HA PRO 23 HA PRO 23 65.317 2.474 -12.954 164 HB2 PRO 23 HB2 PRO 23 67.852 3.456 -13.101 165 HB3 PRO 23 HB1 PRO 23 67.473 1.888 -12.363 166 HG2 PRO 23 HG2 PRO 23 68.603 2.488 -15.044 167 HG3 PRO 23 HG1 PRO 23 68.972 1.160 -13.932 168 HD2 PRO 23 HD2 PRO 23 67.327 0.922 -16.152 169 HD3 PRO 23 HD1 PRO 23 67.268 -0.155 -14.740 170 H ARG 24 HN ARG 24 67.600 3.891 -15.275 171 HA ARG 24 HA ARG 24 67.438 5.816 -16.606 172 HE ARG 24 HE ARG 24 64.193 8.012 -20.357 173 HB2 ARG 24 HB2 ARG 24 65.064 4.706 -17.035 174 HB3 ARG 24 HB1 ARG 24 64.494 6.062 -16.065 175 HG2 ARG 24 HG2 ARG 24 65.705 7.622 -17.579 176 HG3 ARG 24 HG1 ARG 24 66.182 6.248 -18.578 177 HD2 ARG 24 HD2 ARG 24 63.604 5.737 -18.612 178 HD3 ARG 24 HD1 ARG 24 63.454 7.440 -18.180 179 HH11 ARG 24 HH21 ARG 24 64.720 4.691 -19.599 180 HH12 ARG 24 HH22 ARG 24 65.171 4.256 -21.214 181 HH21 ARG 24 HH11 ARG 24 64.778 7.464 -22.470 182 HH22 ARG 24 HH12 ARG 24 65.204 5.826 -22.840 183 H LYS 25 HN LYS 25 64.723 6.589 -14.448 184 HA LYS 25 HA LYS 25 66.167 8.998 -13.560 185 HB2 LYS 25 HB2 LYS 25 63.529 8.243 -12.382 186 HB3 LYS 25 HB1 LYS 25 64.098 9.815 -12.950 187 HG2 LYS 25 HG2 LYS 25 63.975 8.896 -15.307 188 HG3 LYS 25 HG1 LYS 25 63.159 7.483 -14.638 189 HD2 LYS 25 HD2 LYS 25 62.170 10.275 -14.065 190 HD3 LYS 25 HD1 LYS 25 61.672 9.407 -15.517 191 HE2 LYS 25 HE2 LYS 25 59.996 8.848 -13.960 192 HE3 LYS 25 HE1 LYS 25 61.088 7.465 -13.891 193 HZ1 LYS 25 HZ1 LYS 25 61.806 8.014 -11.840 194 HZ2 LYS 25 HZ2 LYS 25 60.296 8.786 -11.742 195 HZ3 LYS 25 HZ3 LYS 25 61.691 9.685 -12.109 196 H GLY 26 HN GLY 26 65.233 9.264 -10.945 197 HA2 GLY 26 HA2 GLY 26 65.421 8.356 -8.748 198 HA3 GLY 26 HA1 GLY 26 65.990 6.841 -9.449 199 HA PRO 27 HA PRO 27 69.605 8.824 -7.256 200 HB2 PRO 27 HB2 PRO 27 70.415 5.962 -7.648 201 HB3 PRO 27 HB1 PRO 27 70.623 7.005 -6.227 202 HG2 PRO 27 HG2 PRO 27 68.733 5.138 -6.310 203 HG3 PRO 27 HG1 PRO 27 68.457 6.700 -5.521 204 HD2 PRO 27 HD2 PRO 27 67.383 5.688 -8.110 205 HD3 PRO 27 HD1 PRO 27 66.680 6.863 -6.977 206 HA PRO 28 HA PRO 28 72.370 9.792 -10.564 207 HB2 PRO 28 HB2 PRO 28 74.410 8.158 -9.081 208 HB3 PRO 28 HB1 PRO 28 74.577 9.766 -9.815 209 HG2 PRO 28 HG2 PRO 28 74.216 9.434 -7.182 210 HG3 PRO 28 HG1 PRO 28 73.548 10.819 -8.060 211 HD2 PRO 28 HD2 PRO 28 72.130 8.522 -6.864 212 HD3 PRO 28 HD1 PRO 28 71.493 10.108 -7.350 213 H LYS 29 HN LYS 29 73.242 8.831 -12.474 214 HA LYS 29 HA LYS 29 72.476 5.996 -12.850 215 HB2 LYS 29 HB2 LYS 29 72.903 6.481 -15.259 216 HB3 LYS 29 HB1 LYS 29 71.728 7.583 -14.543 217 HG2 LYS 29 HG2 LYS 29 74.086 8.897 -14.042 218 HG3 LYS 29 HG1 LYS 29 74.424 8.145 -15.601 219 HD2 LYS 29 HD2 LYS 29 71.959 9.803 -14.994 220 HD3 LYS 29 HD1 LYS 29 73.390 10.408 -15.830 221 HE2 LYS 29 HE2 LYS 29 73.070 8.519 -17.502 222 HE3 LYS 29 HE1 LYS 29 71.502 8.228 -16.749 223 HZ1 LYS 29 HZ1 LYS 29 71.875 10.987 -17.305 224 HZ2 LYS 29 HZ2 LYS 29 70.636 9.945 -17.819 225 HZ3 LYS 29 HZ3 LYS 29 72.074 10.065 -18.714 226 H1U RCY 30 H1U RCY 30 74.747 7.536 -8.236 227 H1S RCY 30 H1S RCY 30 74.783 8.664 -12.362 228 HB1 RCY 30 HB1 RCY 30 78.443 6.723 -14.201 229 HB2 RCY 30 HB2 RCY 30 77.755 6.164 -12.677 230 HA RCY 30 HA RCY 30 76.883 5.624 -15.447 231 HN1 RCY 30 HN1 RCY 30 74.719 6.471 -15.134 232 H LYS 31 HN LYS 31 78.600 4.132 -14.111 233 HA LYS 31 HA LYS 31 77.091 2.095 -12.546 234 HB2 LYS 31 HB2 LYS 31 78.479 0.384 -13.988 235 HB3 LYS 31 HB1 LYS 31 76.971 1.039 -14.629 236 HG2 LYS 31 HG2 LYS 31 78.171 2.694 -15.930 237 HG3 LYS 31 HG1 LYS 31 79.701 2.230 -15.186 238 HD2 LYS 31 HD2 LYS 31 79.814 1.023 -17.166 239 HD3 LYS 31 HD1 LYS 31 79.054 -0.166 -16.108 240 HE2 LYS 31 HE2 LYS 31 76.812 0.852 -16.908 241 HE3 LYS 31 HE1 LYS 31 77.763 1.573 -18.207 242 HZ1 LYS 31 HZ1 LYS 31 78.586 -0.672 -18.737 243 HZ2 LYS 31 HZ2 LYS 31 76.904 -0.527 -18.928 244 HZ3 LYS 31 HZ3 LYS 31 77.541 -1.318 -17.567 245 H GLN 32 HN GLN 32 79.402 4.191 -12.293 246 HA GLN 32 HA GLN 32 81.406 4.341 -11.088 247 HB2 GLN 32 HB2 GLN 32 80.562 1.642 -9.991 248 HB3 GLN 32 HB1 GLN 32 81.688 2.777 -9.248 249 HG2 GLN 32 HG2 GLN 32 79.934 4.405 -8.914 250 HG3 GLN 32 HG1 GLN 32 78.793 3.438 -9.849 251 HE21 GLN 32 HE21 GLN 32 81.012 1.757 -7.718 252 HE22 GLN 32 HE22 GLN 32 79.871 1.359 -6.527 253 H ARG 33 HN ARG 33 83.322 4.118 -12.110 254 HA ARG 33 HA ARG 33 84.105 1.397 -13.090 255 HE ARG 33 HE ARG 33 81.284 2.382 -17.101 256 HB2 ARG 33 HB2 ARG 33 84.496 4.072 -14.466 257 HB3 ARG 33 HB1 ARG 33 85.239 2.563 -14.998 258 HG2 ARG 33 HG2 ARG 33 83.215 1.645 -15.679 259 HG3 ARG 33 HG1 ARG 33 82.273 2.638 -14.567 260 HD2 ARG 33 HD2 ARG 33 82.780 4.638 -15.936 261 HD3 ARG 33 HD1 ARG 33 83.687 3.627 -17.061 262 HH11 ARG 33 HH21 ARG 33 82.181 5.711 -17.161 263 HH12 ARG 33 HH22 ARG 33 80.807 6.202 -18.095 264 HH21 ARG 33 HH11 ARG 33 79.485 3.004 -18.321 265 HH22 ARG 33 HH12 ARG 33 79.281 4.669 -18.752 266 H GLN 34 HN GLN 34 85.814 0.779 -11.868 267 HA GLN 34 HA GLN 34 87.860 0.866 -10.731 268 HB2 GLN 34 HB2 GLN 34 88.431 1.901 -13.066 269 HB3 GLN 34 HB1 GLN 34 88.489 3.428 -12.187 270 HG2 GLN 34 HG2 GLN 34 90.055 2.244 -10.538 271 HG3 GLN 34 HG1 GLN 34 90.179 0.961 -11.743 272 HE21 GLN 34 HE21 GLN 34 89.676 3.710 -13.525 273 HE22 GLN 34 HE22 GLN 34 91.286 4.165 -13.811 274 H THR 35 HN THR 35 85.448 3.064 -10.326 275 HA THR 35 HA THR 35 86.885 4.839 -8.451 276 HB THR 35 HB THR 35 84.537 5.777 -8.102 277 HG1 THR 35 HG1 THR 35 83.889 3.562 -9.279 278 HG21 THR 35 HG21 THR 35 86.004 6.927 -9.601 279 HG22 THR 35 HG22 THR 35 84.471 6.750 -10.454 280 HG23 THR 35 HG23 THR 35 85.821 5.683 -10.838 281 H ARG 36 HN ARG 36 85.833 1.753 -8.280 282 HA ARG 36 HA ARG 36 84.582 1.934 -5.605 283 HE ARG 36 HE ARG 36 83.853 -1.086 -9.281 284 HB2 ARG 36 HB2 ARG 36 85.183 -0.402 -7.442 285 HB3 ARG 36 HB1 ARG 36 84.450 -0.575 -5.846 286 HG2 ARG 36 HG2 ARG 36 82.620 0.963 -6.559 287 HG3 ARG 36 HG1 ARG 36 83.326 1.006 -8.175 288 HD2 ARG 36 HD2 ARG 36 82.440 -1.530 -6.771 289 HD3 ARG 36 HD1 ARG 36 81.468 -0.661 -7.959 290 HH11 ARG 36 HH21 ARG 36 81.616 -3.032 -7.523 291 HH12 ARG 36 HH22 ARG 36 81.928 -4.463 -8.449 292 HH21 ARG 36 HH11 ARG 36 84.274 -2.943 -10.500 293 HH22 ARG 36 HH12 ARG 36 83.433 -4.412 -10.134 294 H GLN 37 HN GLN 37 87.059 2.950 -5.345 295 HA GLN 37 HA GLN 37 88.425 0.885 -3.729 296 HB2 GLN 37 HB2 GLN 37 90.653 1.709 -4.800 297 HB3 GLN 37 HB1 GLN 37 89.683 0.535 -5.688 298 HG2 GLN 37 HG2 GLN 37 88.697 2.311 -7.041 299 HG3 GLN 37 HG1 GLN 37 89.552 3.536 -6.104 300 HE21 GLN 37 HE21 GLN 37 90.617 0.413 -7.582 301 HE22 GLN 37 HE22 GLN 37 91.924 1.093 -8.425 302 H1U RCY 38 H1U RCY 38 84.577 0.681 -0.166 303 H1S RCY 38 H1S RCY 38 85.249 4.784 -0.732 304 HB1 RCY 38 HB1 RCY 38 88.318 4.945 0.270 305 HB2 RCY 38 HB2 RCY 38 87.486 3.497 -0.295 306 HA RCY 38 HA RCY 38 89.852 4.654 -1.779 307 HN1 RCY 38 HN1 RCY 38 89.045 1.804 -1.837 308 H LYS 39 HN LYS 39 88.988 3.664 1.281 309 HA LYS 39 HA LYS 39 91.768 2.694 1.837 310 HB2 LYS 39 HB2 LYS 39 89.814 4.296 3.507 311 HB3 LYS 39 HB1 LYS 39 91.225 3.506 4.207 312 HG2 LYS 39 HG2 LYS 39 92.141 5.579 3.727 313 HG3 LYS 39 HG1 LYS 39 92.475 4.747 2.208 314 HD2 LYS 39 HD2 LYS 39 90.314 5.644 1.307 315 HD3 LYS 39 HD1 LYS 39 90.132 6.580 2.790 316 HE2 LYS 39 HE2 LYS 39 91.135 8.008 1.101 317 HE3 LYS 39 HE1 LYS 39 92.354 7.645 2.322 318 HZ1 LYS 39 HZ1 LYS 39 93.384 6.094 0.932 319 HZ2 LYS 39 HZ2 LYS 39 93.040 7.410 -0.086 320 HZ3 LYS 39 HZ3 LYS 39 92.064 6.020 -0.131 321 H SER 40 HN SER 40 91.492 0.472 1.762 322 HA SER 40 HA SER 40 89.166 -0.913 2.696 323 HG SER 40 HG SER 40 90.939 -2.954 3.912 324 HB2 SER 40 HB2 SER 40 90.555 -2.144 1.237 325 HB3 SER 40 HB1 SER 40 92.011 -1.744 2.143 326 H LYS 41 HN LYS 41 91.487 0.775 4.436 327 HA LYS 41 HA LYS 41 91.832 -0.931 6.714 328 HB2 LYS 41 HB2 LYS 41 92.958 0.858 7.650 329 HB3 LYS 41 HB1 LYS 41 92.968 1.386 5.970 330 HG2 LYS 41 HG2 LYS 41 90.727 2.540 6.494 331 HG3 LYS 41 HG1 LYS 41 91.123 2.275 8.193 332 HD2 LYS 41 HD2 LYS 41 93.436 3.346 7.503 333 HD3 LYS 41 HD1 LYS 41 92.489 4.031 6.182 334 HE2 LYS 41 HE2 LYS 41 90.907 4.998 7.795 335 HE3 LYS 41 HE1 LYS 41 91.816 4.287 9.128 336 HZ1 LYS 41 HZ1 LYS 41 92.490 6.556 7.417 337 HZ2 LYS 41 HZ2 LYS 41 93.768 5.565 7.936 338 HZ3 LYS 41 HZ3 LYS 41 92.766 6.329 9.075 339 HA PRO 42 HA PRO 42 87.851 -0.627 8.616 340 HB2 PRO 42 HB2 PRO 42 88.512 -0.814 11.274 341 HB3 PRO 42 HB1 PRO 42 88.547 -2.194 10.159 342 HG2 PRO 42 HG2 PRO 42 90.793 -0.508 11.143 343 HG3 PRO 42 HG1 PRO 42 90.726 -2.258 10.873 344 HD2 PRO 42 HD2 PRO 42 91.914 -0.534 9.111 345 HD3 PRO 42 HD1 PRO 42 91.160 -2.063 8.605 346 HA PRO 43 HA PRO 43 87.134 3.559 9.872 347 HB2 PRO 43 HB2 PRO 43 84.935 3.305 11.483 348 HB3 PRO 43 HB1 PRO 43 84.872 3.117 9.719 349 HG2 PRO 43 HG2 PRO 43 84.947 1.027 11.836 350 HG3 PRO 43 HG1 PRO 43 84.019 1.075 10.328 351 HD2 PRO 43 HD2 PRO 43 86.321 -0.386 10.616 352 HD3 PRO 43 HD1 PRO 43 85.785 0.282 9.058 353 H LYS 44 HN LYS 44 87.035 5.029 11.800 354 HA LYS 44 HA LYS 44 88.922 4.187 13.836 355 HB2 LYS 44 HB2 LYS 44 88.470 6.577 12.861 356 HB3 LYS 44 HB1 LYS 44 87.190 6.640 14.072 357 HG2 LYS 44 HG2 LYS 44 88.958 7.490 15.310 358 HG3 LYS 44 HG1 LYS 44 89.125 5.772 15.673 359 HD2 LYS 44 HD2 LYS 44 90.699 5.634 13.671 360 HD3 LYS 44 HD1 LYS 44 90.691 7.398 13.659 361 HE2 LYS 44 HE2 LYS 44 91.431 5.720 16.073 362 HE3 LYS 44 HE1 LYS 44 92.603 6.422 14.958 363 HZ1 LYS 44 HZ1 LYS 44 92.286 8.469 15.778 364 HZ2 LYS 44 HZ2 LYS 44 91.680 7.656 17.142 365 HZ3 LYS 44 HZ3 LYS 44 90.613 8.264 15.967 366 H LYS 45 HN LYS 45 86.817 2.406 13.949 367 HA LYS 45 HA LYS 45 85.230 1.479 15.411 368 HB2 LYS 45 HB2 LYS 45 86.683 3.262 17.390 369 HB3 LYS 45 HB1 LYS 45 85.650 1.894 17.801 370 HG2 LYS 45 HG2 LYS 45 87.155 0.350 16.686 371 HG3 LYS 45 HG1 LYS 45 88.139 1.683 16.083 372 HD2 LYS 45 HD2 LYS 45 87.685 1.471 19.035 373 HD3 LYS 45 HD1 LYS 45 88.843 0.374 18.281 374 HE2 LYS 45 HE2 LYS 45 88.918 3.354 17.791 375 HE3 LYS 45 HE1 LYS 45 89.773 2.609 19.140 376 HZ1 LYS 45 HZ1 LYS 45 91.307 1.742 17.790 377 HZ2 LYS 45 HZ2 LYS 45 90.763 2.883 16.654 378 HZ3 LYS 45 HZ3 LYS 45 90.176 1.289 16.610 379 H GLY 46 HN GLY 46 83.358 2.461 14.516 380 HA2 GLY 46 HA2 GLY 46 82.282 4.722 16.143 381 HA3 GLY 46 HA1 GLY 46 82.144 4.752 14.384 382 H VAL 47 HN VAL 47 81.402 2.570 17.125 383 HA VAL 47 HA VAL 47 79.582 0.871 15.881 384 HB VAL 47 HB VAL 47 80.344 0.771 18.288 385 HG11 VAL 47 HG11 VAL 47 78.055 2.680 18.796 386 HG12 VAL 47 HG12 VAL 47 79.725 3.232 18.665 387 HG13 VAL 47 HG13 VAL 47 79.266 2.105 19.942 388 HG21 VAL 47 HG21 VAL 47 78.450 -0.593 17.353 389 HG22 VAL 47 HG22 VAL 47 77.337 0.657 17.908 390 HG23 VAL 47 HG23 VAL 47 78.288 -0.258 19.077 391 H GLN 48 HN GLN 48 79.119 4.216 16.869 392 HA GLN 48 HA GLN 48 76.548 4.229 15.373 393 HB2 GLN 48 HB2 GLN 48 76.951 5.061 18.248 394 HB3 GLN 48 HB1 GLN 48 75.657 5.754 17.269 395 HG2 GLN 48 HG2 GLN 48 76.065 2.770 17.568 396 HG3 GLN 48 HG1 GLN 48 75.013 3.702 18.634 397 HE21 GLN 48 HE21 GLN 48 73.041 4.614 17.715 398 HE22 GLN 48 HE22 GLN 48 72.458 4.118 16.201 399 H GLY 49 HN GLY 49 79.135 5.206 14.628 400 HA2 GLY 49 HA2 GLY 49 78.426 8.022 14.153 401 HA3 GLY 49 HA1 GLY 49 79.917 7.769 15.063 402 H1U RCY 50 H1U RCY 50 81.060 8.087 4.079 403 H1S RCY 50 H1S RCY 50 78.695 7.192 8.093 404 HB1 RCY 50 HB1 RCY 50 78.848 5.452 10.156 405 HB2 RCY 50 HB2 RCY 50 80.305 5.622 9.179 406 HA RCY 50 HA RCY 50 80.836 4.445 11.257 407 HN1 RCY 50 HN1 RCY 50 79.456 5.167 13.037 408 H GLY 51 HN GLY 51 82.784 5.062 12.645 409 HA2 GLY 51 HA2 GLY 51 84.868 6.124 12.886 410 HA3 GLY 51 HA1 GLY 51 84.822 6.205 11.125 411 H ASP 52 HN ASP 52 82.205 7.845 12.511 412 HA ASP 52 HA ASP 52 81.677 10.140 12.431 413 HB2 ASP 52 HB2 ASP 52 84.357 10.115 13.846 414 HB3 ASP 52 HB1 ASP 52 83.325 11.542 13.742 415 H ASP 53 HN ASP 53 83.536 8.917 10.244 416 HA ASP 53 HA ASP 53 85.080 11.257 9.375 417 HB2 ASP 53 HB2 ASP 53 85.618 9.853 7.404 418 HB3 ASP 53 HB1 ASP 53 85.930 8.997 8.914 419 H ILE 54 HN ILE 54 84.700 12.170 7.153 420 HA ILE 54 HA ILE 54 81.933 11.940 6.136 421 HB ILE 54 HB ILE 54 81.924 14.574 6.148 422 HG12 ILE 54 HG12 ILE 54 83.604 14.023 8.606 423 HG13 ILE 54 HG11 ILE 54 84.302 14.584 7.086 424 HG21 ILE 54 HG21 ILE 54 80.715 14.538 8.270 425 HG22 ILE 54 HG22 ILE 54 81.479 13.010 8.709 426 HG23 ILE 54 HG23 ILE 54 80.341 13.072 7.363 427 HD11 ILE 54 HD11 ILE 54 83.662 16.376 8.841 428 HD12 ILE 54 HD12 ILE 54 81.995 16.040 8.372 429 HD13 ILE 54 HD13 ILE 54 83.144 16.641 7.176 430 HA PRO 55 HA PRO 55 85.111 12.662 2.865 431 HB2 PRO 55 HB2 PRO 55 84.419 10.593 1.249 432 HB3 PRO 55 HB1 PRO 55 85.470 10.383 2.663 433 HG2 PRO 55 HG2 PRO 55 82.594 9.727 2.334 434 HG3 PRO 55 HG1 PRO 55 83.853 8.875 3.242 435 HD2 PRO 55 HD2 PRO 55 81.952 10.579 4.369 436 HD3 PRO 55 HD1 PRO 55 83.486 10.115 5.136 437 H GLY 56 HN GLY 56 81.736 11.636 2.232 438 HA2 GLY 56 HA2 GLY 56 81.600 13.196 -0.230 439 HA3 GLY 56 HA1 GLY 56 80.251 12.357 0.539 440 H MET 57 HN MET 57 81.960 14.321 2.722 441 HA MET 57 HA MET 57 81.238 16.228 3.900 442 HB2 MET 57 HB2 MET 57 80.497 17.268 1.157 443 HB3 MET 57 HB1 MET 57 81.057 18.191 2.552 444 HG2 MET 57 HG2 MET 57 82.675 16.202 0.934 445 HG3 MET 57 HG1 MET 57 82.906 17.950 0.991 446 HE1 MET 57 HE1 MET 57 85.194 15.329 2.005 447 HE2 MET 57 HE2 MET 57 86.041 16.729 2.656 448 HE3 MET 57 HE3 MET 57 85.172 16.866 1.130 449 H GLU 58 HN GLU 58 79.183 14.098 3.045 450 HA GLU 58 HA GLU 58 76.843 13.833 3.071 451 HB2 GLU 58 HB2 GLU 58 77.554 14.743 5.424 452 HB3 GLU 58 HB1 GLU 58 76.770 16.231 4.894 453 HG2 GLU 58 HG2 GLU 58 74.745 14.791 4.298 454 HG3 GLU 58 HG1 GLU 58 75.531 13.488 5.190 455 H GLY 59 HN GLY 59 76.306 14.475 0.934 456 HA2 GLY 59 HA2 GLY 59 74.790 16.973 0.766 457 HA3 GLY 59 HA1 GLY 59 76.230 16.947 -0.252 458 H1U RCY 60 H1U RCY 60 77.067 7.000 -0.981 459 H1S RCY 60 H1S RCY 60 74.397 10.622 -1.946 460 HB1 RCY 60 HB1 RCY 60 72.781 12.182 -2.228 461 HB2 RCY 60 HB2 RCY 60 73.239 12.295 -0.528 462 HA RCY 60 HA RCY 60 72.892 14.633 -2.431 463 HN1 RCY 60 HN1 RCY 60 73.273 15.083 0.448 464 H GLY 61 HN GLY 61 71.832 13.771 0.853 465 HA2 GLY 61 HA2 GLY 61 69.147 14.745 0.350 466 HA3 GLY 61 HA1 GLY 61 69.206 12.981 0.391 467 H THR 62 HN THR 62 71.379 12.871 2.324 468 HA THR 62 HA THR 62 71.708 12.857 4.637 469 HB THR 62 HB THR 62 69.699 15.068 4.949 470 HG1 THR 62 HG1 THR 62 72.341 15.379 3.975 471 HG21 THR 62 HG21 THR 62 71.398 15.850 6.578 472 HG22 THR 62 HG22 THR 62 72.415 14.473 6.156 473 HG23 THR 62 HG23 THR 62 70.854 14.210 6.933 474 H ASP 63 HN ASP 63 68.293 13.870 4.368 475 HA ASP 63 HA ASP 63 67.293 12.336 6.470 476 HB2 ASP 63 HB2 ASP 63 65.959 12.961 3.819 477 HB3 ASP 63 HB1 ASP 63 65.115 12.376 5.253 478 H ILE 64 HN ILE 64 68.066 10.232 6.675 479 HA ILE 64 HA ILE 64 68.092 7.924 6.307 480 HB ILE 64 HB ILE 64 66.132 8.475 4.071 481 HG12 ILE 64 HG12 ILE 64 65.502 7.962 6.992 482 HG13 ILE 64 HG11 ILE 64 65.509 9.572 6.270 483 HG21 ILE 64 HG21 ILE 64 65.310 6.200 4.778 484 HG22 ILE 64 HG22 ILE 64 66.705 6.089 5.851 485 HG23 ILE 64 HG23 ILE 64 66.940 6.193 4.106 486 HD11 ILE 64 HD11 ILE 64 63.229 8.664 6.273 487 HD12 ILE 64 HD12 ILE 64 63.781 7.237 5.396 488 HD13 ILE 64 HD13 ILE 64 63.817 8.819 4.617 489 H THR 65 HN THR 65 68.231 9.920 3.396 490 HA THR 65 HA THR 65 69.314 8.135 1.556 491 HB THR 65 HB THR 65 70.152 11.023 1.937 492 HG1 THR 65 HG1 THR 65 68.158 10.007 0.221 493 HG21 THR 65 HG21 THR 65 70.455 10.843 -0.580 494 HG22 THR 65 HG22 THR 65 70.298 9.097 -0.391 495 HG23 THR 65 HG23 THR 65 71.631 9.952 0.385 496 H VAL 66 HN VAL 66 71.438 10.426 3.310 497 HA VAL 66 HA VAL 66 73.797 8.949 2.772 498 HB VAL 66 HB VAL 66 74.890 10.338 4.423 499 HG11 VAL 66 HG11 VAL 66 73.862 12.609 3.795 500 HG12 VAL 66 HG12 VAL 66 72.667 11.687 2.883 501 HG13 VAL 66 HG13 VAL 66 74.375 11.578 2.458 502 HG21 VAL 66 HG21 VAL 66 72.070 10.706 5.442 503 HG22 VAL 66 HG22 VAL 66 73.346 11.858 5.837 504 HG23 VAL 66 HG23 VAL 66 73.495 10.172 6.333 505 H ILE 67 HN ILE 67 71.822 8.957 5.782 506 HA ILE 67 HA ILE 67 72.915 6.222 6.286 507 HB ILE 67 HB ILE 67 72.776 8.469 8.312 508 HG12 ILE 67 HG12 ILE 67 75.119 6.736 7.485 509 HG13 ILE 67 HG11 ILE 67 74.772 8.294 6.734 510 HG21 ILE 67 HG21 ILE 67 73.758 6.625 9.818 511 HG22 ILE 67 HG22 ILE 67 73.161 5.487 8.610 512 HG23 ILE 67 HG23 ILE 67 72.031 6.532 9.470 513 HD11 ILE 67 HD11 ILE 67 75.033 7.998 9.728 514 HD12 ILE 67 HD12 ILE 67 75.117 9.474 8.766 515 HD13 ILE 67 HD13 ILE 67 76.433 8.301 8.699 516 H1U RCY 68 H1U RCY 68 73.248 2.232 1.302 517 H1S RCY 68 H1S RCY 68 70.207 3.658 3.541 518 HB1 RCY 68 HB1 RCY 68 68.509 4.938 5.033 519 HB2 RCY 68 HB2 RCY 68 67.600 3.991 6.209 520 HA RCY 68 HA RCY 68 68.569 6.044 7.212 521 HN1 RCY 68 HN1 RCY 68 71.128 4.986 6.163 522 HA PRO 69 HA PRO 69 69.211 4.043 11.091 523 HB2 PRO 69 HB2 PRO 69 66.570 3.760 11.877 524 HB3 PRO 69 HB1 PRO 69 67.515 5.253 12.018 525 HG2 PRO 69 HG2 PRO 69 65.497 4.477 9.986 526 HG3 PRO 69 HG1 PRO 69 65.838 6.063 10.694 527 HD2 PRO 69 HD2 PRO 69 66.664 5.344 8.183 528 HD3 PRO 69 HD1 PRO 69 67.538 6.519 9.191 529 H TRP 70 HN TRP 70 67.165 2.470 8.680 530 HA TRP 70 HA TRP 70 67.003 0.009 10.258 531 HD1 TRP 70 HD1 TRP 70 65.229 2.777 8.649 532 HE1 TRP 70 HE1 TRP 70 65.196 4.154 6.471 533 HE3 TRP 70 HE3 TRP 70 66.872 -0.756 5.348 534 HZ2 TRP 70 HZ2 TRP 70 65.790 3.804 3.691 535 HZ3 TRP 70 HZ3 TRP 70 67.129 -0.210 2.948 536 HH2 TRP 70 HH2 TRP 70 66.592 2.061 2.114 537 HB2 TRP 70 HB2 TRP 70 66.323 -0.837 7.774 538 HB3 TRP 70 HB1 TRP 70 65.190 -0.059 8.874 539 H GLU 71 HN GLU 71 69.558 1.424 8.699 540 HA GLU 71 HA GLU 71 70.871 -1.234 8.407 541 HB2 GLU 71 HB2 GLU 71 71.199 0.919 6.308 542 HB3 GLU 71 HB1 GLU 71 71.784 -0.742 6.251 543 HG2 GLU 71 HG2 GLU 71 68.860 0.061 6.327 544 HG3 GLU 71 HG1 GLU 71 69.734 -0.429 4.875 545 H ALA 72 HN ALA 72 71.040 0.921 10.400 546 HA ALA 72 HA ALA 72 73.315 2.575 10.051 547 HB1 ALA 72 HB1 ALA 72 71.915 2.927 11.973 548 HB2 ALA 72 HB2 ALA 72 73.491 2.426 12.586 549 HB3 ALA 72 HB3 ALA 72 72.159 1.271 12.529 550 H1U RCY 73 H1U RCY 73 73.170 2.953 5.902 551 H1S RCY 73 H1S RCY 73 75.704 1.724 9.630 552 HB1 RCY 73 HB1 RCY 73 78.496 0.885 9.664 553 HB2 RCY 73 HB2 RCY 73 78.457 1.021 11.420 554 HA RCY 73 HA RCY 73 76.598 -0.334 9.703 555 HN1 RCY 73 HN1 RCY 73 75.528 2.185 10.278 556 H ASN 74 HN ASN 74 76.086 -2.137 10.873 557 HA ASN 74 HA ASN 74 76.778 -2.129 13.767 558 HB2 ASN 74 HB2 ASN 74 74.124 -2.963 12.573 559 HB3 ASN 74 HB1 ASN 74 74.659 -3.492 14.168 560 HD21 ASN 74 HD21 ASN 74 73.243 -0.858 12.412 561 HD22 ASN 74 HD22 ASN 74 73.205 0.254 13.695 562 H HIS 75 HN HIS 75 75.029 -4.604 11.935 563 HA HIS 75 HA HIS 75 77.171 -6.527 12.566 564 HD1 HIS 75 HD1 HIS 75 75.190 -8.888 9.612 565 HD2 HIS 75 HD2 HIS 75 76.679 -9.302 13.486 566 HE1 HIS 75 HE1 HIS 75 76.191 -11.211 9.749 567 HE2 HIS 75 HE2 HIS 75 77.101 -11.476 12.102 568 HB2 HIS 75 HB2 HIS 75 74.771 -7.144 12.817 569 HB3 HIS 75 HB1 HIS 75 74.560 -6.941 11.078 570 H1U RCY 76 H1U RCY 76 76.197 -4.115 4.377 571 H1S RCY 76 H1S RCY 76 74.206 -5.310 7.003 572 HB1 RCY 76 HB1 RCY 76 77.787 -4.853 6.781 573 HB2 RCY 76 HB2 RCY 76 77.827 -3.420 7.808 574 HA RCY 76 HA RCY 76 78.668 -6.228 8.426 575 HN1 RCY 76 HN1 RCY 76 77.995 -4.513 10.742 576 H GLU 77 HN GLU 77 79.863 -4.661 10.857 577 HA GLU 77 HA GLU 77 81.542 -2.592 9.983 578 HB2 GLU 77 HB2 GLU 77 81.262 -4.076 12.317 579 HB3 GLU 77 HB1 GLU 77 82.902 -4.463 11.801 580 HG2 GLU 77 HG2 GLU 77 81.792 -1.653 12.083 581 HG3 GLU 77 HG1 GLU 77 82.836 -2.449 13.260 582 H LEU 78 HN LEU 78 81.650 -5.956 9.186 583 HA LEU 78 HA LEU 78 84.452 -5.870 8.284 584 HG LEU 78 HG LEU 78 83.799 -9.171 9.665 585 HB2 LEU 78 HB2 LEU 78 82.270 -7.954 8.250 586 HB3 LEU 78 HB1 LEU 78 83.756 -8.188 7.332 587 HD11 LEU 78 HD11 LEU 78 85.856 -7.005 9.580 588 HD12 LEU 78 HD12 LEU 78 85.796 -8.135 8.228 589 HD13 LEU 78 HD13 LEU 78 86.059 -8.733 9.866 590 HD21 LEU 78 HD21 LEU 78 84.034 -6.286 10.545 591 HD22 LEU 78 HD22 LEU 78 83.892 -7.721 11.560 592 HD23 LEU 78 HD23 LEU 78 82.509 -7.169 10.614 593 H HIS 79 HN HIS 79 85.043 -5.213 6.273 594 HA HIS 79 HA HIS 79 82.945 -5.163 4.131 595 HD1 HIS 79 HD1 HIS 79 81.703 -4.302 5.296 596 HD2 HIS 79 HD2 HIS 79 83.415 -0.533 4.785 597 HE1 HIS 79 HE1 HIS 79 79.997 -2.624 6.123 598 HE2 HIS 79 HE2 HIS 79 81.026 -0.325 5.818 599 HB2 HIS 79 HB2 HIS 79 85.057 -3.119 4.840 600 HB3 HIS 79 HB1 HIS 79 84.294 -3.159 3.250 601 H GLU 80 HN GLU 80 86.306 -5.690 4.998 602 HA GLU 80 HA GLU 80 88.137 -6.364 3.632 603 HB2 GLU 80 HB2 GLU 80 87.714 -8.716 2.863 604 HB3 GLU 80 HB1 GLU 80 87.267 -8.424 4.541 605 HG2 GLU 80 HG2 GLU 80 85.235 -8.112 2.335 606 HG3 GLU 80 HG1 GLU 80 85.575 -9.698 3.029 607 H LEU 81 HN LEU 81 87.825 -8.113 1.271 608 HA LEU 81 HA LEU 81 87.328 -5.951 -0.712 609 HG LEU 81 HG LEU 81 90.746 -7.176 -1.176 610 HB2 LEU 81 HB2 LEU 81 88.862 -8.555 -0.788 611 HB3 LEU 81 HB1 LEU 81 88.450 -7.698 -2.270 612 HD11 LEU 81 HD11 LEU 81 90.146 -5.747 -2.923 613 HD12 LEU 81 HD12 LEU 81 90.261 -4.620 -1.571 614 HD13 LEU 81 HD13 LEU 81 88.683 -5.198 -2.105 615 HD21 LEU 81 HD21 LEU 81 90.746 -5.640 0.661 616 HD22 LEU 81 HD22 LEU 81 89.646 -6.940 1.120 617 HD23 LEU 81 HD23 LEU 81 89.003 -5.400 0.549 618 H ALA 82 HN ALA 82 85.203 -7.627 0.640 619 HA ALA 82 HA ALA 82 84.130 -9.561 -1.126 620 HB1 ALA 82 HB1 ALA 82 82.975 -7.734 0.954 621 HB2 ALA 82 HB2 ALA 82 83.030 -9.496 0.922 622 HB3 ALA 82 HB3 ALA 82 81.873 -8.633 -0.091 623 H GLN 83 HN GLN 83 83.160 -9.386 -3.104 624 HA GLN 83 HA GLN 83 81.626 -7.097 -3.933 625 HB2 GLN 83 HB2 GLN 83 84.280 -6.535 -4.071 626 HB3 GLN 83 HB1 GLN 83 84.051 -7.277 -5.652 627 HG2 GLN 83 HG2 GLN 83 83.554 -5.030 -6.091 628 HG3 GLN 83 HG1 GLN 83 81.954 -5.712 -5.796 629 HE21 GLN 83 HE21 GLN 83 81.080 -3.690 -4.967 630 HE22 GLN 83 HE22 GLN 83 81.562 -3.060 -3.467 631 H TYR 84 HN TYR 84 81.555 -7.259 -6.580 632 HA TYR 84 HA TYR 84 81.021 -8.582 -8.440 633 HD1 TYR 84 HD2 TYR 84 83.497 -9.309 -9.918 634 HD2 TYR 84 HD1 TYR 84 80.670 -12.306 -8.703 635 HE1 TYR 84 HE2 TYR 84 83.364 -10.130 -12.254 636 HE2 TYR 84 HE1 TYR 84 80.537 -13.127 -11.039 637 HH TYR 84 HH TYR 84 80.962 -12.034 -13.397 638 HB2 TYR 84 HB2 TYR 84 83.161 -9.859 -7.551 639 HB3 TYR 84 HB1 TYR 84 81.979 -11.072 -7.058 640 H GLY 85 HN GLY 85 80.144 -9.646 -5.208 641 HA2 GLY 85 HA2 GLY 85 77.438 -10.246 -6.206 642 HA3 GLY 85 HA1 GLY 85 78.294 -11.613 -5.494 643 H ILE 86 HN ILE 86 79.390 -10.919 -3.276 644 HA ILE 86 HA ILE 86 77.502 -10.627 -1.308 645 HB ILE 86 HB ILE 86 80.352 -9.628 -1.407 646 HG12 ILE 86 HG12 ILE 86 79.046 -11.869 0.164 647 HG13 ILE 86 HG11 ILE 86 79.814 -12.095 -1.408 648 HG21 ILE 86 HG21 ILE 86 78.300 -9.378 0.781 649 HG22 ILE 86 HG22 ILE 86 79.485 -8.193 0.234 650 HG23 ILE 86 HG23 ILE 86 80.004 -9.585 1.184 651 HD11 ILE 86 HD11 ILE 86 81.317 -12.602 0.555 652 HD12 ILE 86 HD12 ILE 86 81.228 -10.894 0.987 653 HD13 ILE 86 HD13 ILE 86 81.953 -11.380 -0.546 654 H1U RCY 87 H1U RCY 87 78.612 1.101 -0.412 655 H1S RCY 87 H1S RCY 87 80.755 -2.981 0.609 656 HB1 RCY 87 HB1 RCY 87 79.175 -4.362 -2.474 657 HB2 RCY 87 HB2 RCY 87 80.202 -5.744 -2.092 658 HA RCY 87 HA RCY 87 77.405 -5.990 -1.160 659 HN1 RCY 87 HN1 RCY 87 79.510 -7.774 -2.104 Start of MODEL 22 1 HA MET 1 HA MET 1 49.762 -13.836 0.401 2 HB2 MET 1 HB2 MET 1 52.029 -12.861 -1.355 3 HB3 MET 1 HB1 MET 1 50.905 -14.179 -1.685 4 HG2 MET 1 HG2 MET 1 50.057 -12.374 -2.957 5 HG3 MET 1 HG1 MET 1 49.051 -12.387 -1.508 6 HE1 MET 1 HE1 MET 1 48.830 -10.212 -3.137 7 HE2 MET 1 HE2 MET 1 49.400 -8.675 -2.490 8 HE3 MET 1 HE3 MET 1 48.323 -9.684 -1.527 9 H ASN 2 HN ASN 2 53.065 -12.539 0.822 10 HA ASN 2 HA ASN 2 53.703 -14.724 2.659 11 HB2 ASN 2 HB2 ASN 2 55.696 -15.455 1.280 12 HB3 ASN 2 HB1 ASN 2 54.132 -15.912 0.604 13 HD21 ASN 2 HD21 ASN 2 56.871 -15.201 -0.693 14 HD22 ASN 2 HD22 ASN 2 56.460 -14.058 -1.878 15 H LEU 3 HN LEU 3 54.571 -11.809 0.932 16 HA LEU 3 HA LEU 3 56.107 -10.884 3.239 17 HG LEU 3 HG LEU 3 59.538 -10.750 2.129 18 HB2 LEU 3 HB2 LEU 3 57.638 -12.327 1.632 19 HB3 LEU 3 HB1 LEU 3 57.626 -10.871 0.643 20 HD11 LEU 3 HD11 LEU 3 59.126 -8.633 3.140 21 HD12 LEU 3 HD12 LEU 3 57.416 -8.996 3.377 22 HD13 LEU 3 HD13 LEU 3 58.038 -8.701 1.753 23 HD21 LEU 3 HD21 LEU 3 58.120 -12.298 3.829 24 HD22 LEU 3 HD22 LEU 3 57.868 -10.729 4.593 25 HD23 LEU 3 HD23 LEU 3 59.505 -11.339 4.350 26 H GLU 4 HN GLU 4 54.566 -9.180 3.224 27 HA GLU 4 HA GLU 4 54.290 -7.534 0.797 28 HB2 GLU 4 HB2 GLU 4 52.359 -8.044 2.339 29 HB3 GLU 4 HB1 GLU 4 53.143 -7.034 3.554 30 HG2 GLU 4 HG2 GLU 4 52.962 -5.082 2.191 31 HG3 GLU 4 HG1 GLU 4 52.528 -6.030 0.768 32 HA PRO 5 HA PRO 5 57.965 -5.142 1.927 33 HB2 PRO 5 HB2 PRO 5 56.440 -3.130 0.301 34 HB3 PRO 5 HB1 PRO 5 58.157 -3.571 0.220 35 HG2 PRO 5 HG2 PRO 5 56.398 -4.470 -1.569 36 HG3 PRO 5 HG1 PRO 5 57.747 -5.470 -1.008 37 HD2 PRO 5 HD2 PRO 5 54.849 -5.726 -0.402 38 HD3 PRO 5 HD1 PRO 5 56.122 -6.966 -0.375 39 HA PRO 6 HA PRO 6 56.479 -2.693 5.312 40 HB2 PRO 6 HB2 PRO 6 58.458 -0.788 5.496 41 HB3 PRO 6 HB1 PRO 6 58.648 -2.463 6.050 42 HG2 PRO 6 HG2 PRO 6 59.586 -1.191 3.531 43 HG3 PRO 6 HG1 PRO 6 60.389 -2.388 4.561 44 HD2 PRO 6 HD2 PRO 6 59.141 -3.058 2.224 45 HD3 PRO 6 HD1 PRO 6 59.257 -4.171 3.605 46 H LYS 7 HN LYS 7 55.712 -0.485 5.890 47 HA LYS 7 HA LYS 7 54.404 0.802 3.652 48 HB2 LYS 7 HB2 LYS 7 53.858 2.548 5.496 49 HB3 LYS 7 HB1 LYS 7 53.212 0.918 5.688 50 HG2 LYS 7 HG2 LYS 7 54.867 0.332 7.287 51 HG3 LYS 7 HG1 LYS 7 55.870 1.723 6.875 52 HD2 LYS 7 HD2 LYS 7 54.378 3.248 7.915 53 HD3 LYS 7 HD1 LYS 7 53.080 2.054 7.984 54 HE2 LYS 7 HE2 LYS 7 54.130 2.358 10.201 55 HE3 LYS 7 HE1 LYS 7 54.380 0.720 9.596 56 HZ1 LYS 7 HZ1 LYS 7 56.578 1.246 8.954 57 HZ2 LYS 7 HZ2 LYS 7 56.393 1.828 10.539 58 HZ3 LYS 7 HZ3 LYS 7 56.349 2.905 9.225 59 H ALA 8 HN ALA 8 57.215 0.802 3.248 60 HA ALA 8 HA ALA 8 58.966 2.256 2.672 61 HB1 ALA 8 HB1 ALA 8 56.835 4.405 2.666 62 HB2 ALA 8 HB2 ALA 8 56.992 3.222 1.368 63 HB3 ALA 8 HB3 ALA 8 58.311 4.343 1.702 64 H GLU 9 HN GLU 9 59.456 4.918 3.316 65 HA GLU 9 HA GLU 9 58.963 5.392 6.150 66 HB2 GLU 9 HB2 GLU 9 60.830 3.607 5.998 67 HB3 GLU 9 HB1 GLU 9 61.844 4.911 5.380 68 HG2 GLU 9 HG2 GLU 9 61.473 6.223 7.392 69 HG3 GLU 9 HG1 GLU 9 60.317 5.036 7.996 70 H1U RCY 10 H1U RCY 10 63.533 13.260 4.184 71 H1S RCY 10 H1S RCY 10 61.399 9.123 2.796 72 HB1 RCY 10 HB1 RCY 10 59.106 10.842 4.831 73 HB2 RCY 10 HB2 RCY 10 58.145 9.401 5.164 74 HA RCY 10 HA RCY 10 61.127 9.165 4.854 75 HN1 RCY 10 HN1 RCY 10 59.588 7.529 6.745 76 H ARG 11 HN ARG 11 58.592 10.193 7.124 77 HA ARG 11 HA ARG 11 58.765 11.579 9.016 78 HE ARG 11 HE ARG 11 56.970 11.061 9.376 79 HB2 ARG 11 HB2 ARG 11 61.191 9.799 9.404 80 HB3 ARG 11 HB1 ARG 11 60.523 10.858 10.645 81 HG2 ARG 11 HG2 ARG 11 58.961 8.665 9.252 82 HG3 ARG 11 HG1 ARG 11 59.712 8.497 10.839 83 HD2 ARG 11 HD2 ARG 11 57.622 9.176 11.522 84 HD3 ARG 11 HD1 ARG 11 58.350 10.764 11.282 85 HH11 ARG 11 HH21 ARG 11 56.992 7.810 10.521 86 HH12 ARG 11 HH22 ARG 11 55.694 7.299 9.495 87 HH21 ARG 11 HH11 ARG 11 55.273 10.413 8.030 88 HH22 ARG 11 HH12 ARG 11 54.721 8.773 8.085 89 H SER 12 HN SER 12 60.602 12.002 6.443 90 HA SER 12 HA SER 12 62.312 14.121 7.700 91 HG SER 12 HG SER 12 63.341 12.200 4.280 92 HB2 SER 12 HB2 SER 12 63.861 13.845 5.873 93 HB3 SER 12 HB1 SER 12 63.522 12.241 6.518 94 H ALA 13 HN ALA 13 60.528 13.328 4.697 95 HA ALA 13 HA ALA 13 59.432 14.741 3.177 96 HB1 ALA 13 HB1 ALA 13 58.268 16.728 4.351 97 HB2 ALA 13 HB2 ALA 13 58.932 16.065 5.844 98 HB3 ALA 13 HB3 ALA 13 57.819 15.104 4.871 99 H THR 14 HN THR 14 60.354 17.422 5.279 100 HA THR 14 HA THR 14 62.411 18.256 3.277 101 HB THR 14 HB THR 14 60.401 20.161 4.501 102 HG1 THR 14 HG1 THR 14 59.248 19.974 2.648 103 HG21 THR 14 HG21 THR 14 61.220 21.687 2.797 104 HG22 THR 14 HG22 THR 14 62.229 20.420 2.098 105 HG23 THR 14 HG23 THR 14 62.597 21.057 3.701 106 H ARG 15 HN ARG 15 63.690 17.290 5.163 107 HA ARG 15 HA ARG 15 64.704 19.465 6.796 108 HE ARG 15 HE ARG 15 63.401 20.668 11.697 109 HB2 ARG 15 HB2 ARG 15 62.572 18.584 7.991 110 HB3 ARG 15 HB1 ARG 15 63.541 17.157 8.358 111 HG2 ARG 15 HG2 ARG 15 65.207 18.521 9.494 112 HG3 ARG 15 HG1 ARG 15 64.364 19.998 9.028 113 HD2 ARG 15 HD2 ARG 15 62.340 19.093 10.280 114 HD3 ARG 15 HD1 ARG 15 63.405 17.845 10.926 115 HH11 ARG 15 HH21 ARG 15 65.143 17.703 11.459 116 HH12 ARG 15 HH22 ARG 15 66.257 18.101 12.724 117 HH21 ARG 15 HH11 ARG 15 64.845 21.206 13.350 118 HH22 ARG 15 HH12 ARG 15 66.088 20.085 13.795 119 H VAL 16 HN VAL 16 65.138 16.755 5.080 120 HA VAL 16 HA VAL 16 67.005 15.247 6.670 121 HB VAL 16 HB VAL 16 65.981 14.214 4.725 122 HG11 VAL 16 HG11 VAL 16 67.531 15.972 2.859 123 HG12 VAL 16 HG12 VAL 16 66.019 16.582 3.531 124 HG13 VAL 16 HG13 VAL 16 66.025 15.097 2.579 125 HG21 VAL 16 HG21 VAL 16 68.878 14.679 3.989 126 HG22 VAL 16 HG22 VAL 16 67.917 13.219 3.753 127 HG23 VAL 16 HG23 VAL 16 68.414 13.695 5.377 128 H MET 17 HN MET 17 68.509 16.692 7.587 129 HA MET 17 HA MET 17 70.818 17.298 5.981 130 HB2 MET 17 HB2 MET 17 69.022 19.138 5.416 131 HB3 MET 17 HB1 MET 17 69.476 19.800 6.985 132 HG2 MET 17 HG2 MET 17 71.397 19.187 4.719 133 HG3 MET 17 HG1 MET 17 70.832 20.795 5.173 134 HE1 MET 17 HE1 MET 17 74.678 20.110 6.205 135 HE2 MET 17 HE2 MET 17 73.663 21.134 5.191 136 HE3 MET 17 HE3 MET 17 73.732 19.399 4.891 137 H GLY 18 HN GLY 18 71.275 15.931 7.998 138 HA2 GLY 18 HA2 GLY 18 72.705 16.039 9.920 139 HA3 GLY 18 HA1 GLY 18 72.272 17.738 10.118 140 H GLY 19 HN GLY 19 71.026 18.104 11.869 141 HA2 GLY 19 HA2 GLY 19 69.757 17.516 13.797 142 HA3 GLY 19 HA1 GLY 19 68.556 17.226 12.541 143 HA PRO 20 HA PRO 20 67.919 13.034 13.788 144 HB2 PRO 20 HB2 PRO 20 68.560 12.474 10.905 145 HB3 PRO 20 HB1 PRO 20 67.234 11.845 11.903 146 HG2 PRO 20 HG2 PRO 20 66.893 13.851 10.146 147 HG3 PRO 20 HG1 PRO 20 65.971 13.733 11.652 148 HD2 PRO 20 HD2 PRO 20 68.041 15.685 10.907 149 HD3 PRO 20 HD1 PRO 20 66.863 15.752 12.236 150 H1U RCY 21 H1U RCY 21 68.135 8.619 6.630 151 H1S RCY 21 H1S RCY 21 72.130 10.776 7.705 152 HB1 RCY 21 HB1 RCY 21 71.509 10.526 11.357 153 HB2 RCY 21 HB2 RCY 21 73.263 10.643 11.492 154 HA RCY 21 HA RCY 21 72.341 11.903 13.321 155 HN1 RCY 21 HN1 RCY 21 70.635 13.542 11.509 156 H THR 22 HN THR 22 74.007 13.192 13.900 157 HA THR 22 HA THR 22 74.694 15.550 12.316 158 HB THR 22 HB THR 22 74.901 15.984 14.597 159 HG1 THR 22 HG1 THR 22 77.246 15.844 15.018 160 HG21 THR 22 HG21 THR 22 76.140 14.332 16.113 161 HG22 THR 22 HG22 THR 22 76.042 13.192 14.770 162 HG23 THR 22 HG23 THR 22 74.566 13.813 15.510 163 HA PRO 23 HA PRO 23 77.556 13.408 9.576 164 HB2 PRO 23 HB2 PRO 23 78.903 16.087 9.791 165 HB3 PRO 23 HB1 PRO 23 78.570 15.108 8.348 166 HG2 PRO 23 HG2 PRO 23 77.061 17.204 8.970 167 HG3 PRO 23 HG1 PRO 23 76.353 15.734 8.279 168 HD2 PRO 23 HD2 PRO 23 76.174 16.771 11.063 169 HD3 PRO 23 HD1 PRO 23 75.045 15.727 10.173 170 H ARG 24 HN ARG 24 80.268 15.110 10.097 171 HA ARG 24 HA ARG 24 82.282 14.556 11.176 172 HE ARG 24 HE ARG 24 83.410 16.603 11.384 173 HB2 ARG 24 HB2 ARG 24 80.341 14.158 13.476 174 HB3 ARG 24 HB1 ARG 24 82.087 14.330 13.640 175 HG2 ARG 24 HG2 ARG 24 80.709 16.448 12.076 176 HG3 ARG 24 HG1 ARG 24 80.388 16.429 13.810 177 HD2 ARG 24 HD2 ARG 24 82.356 17.847 13.211 178 HD3 ARG 24 HD1 ARG 24 82.775 16.523 14.298 179 HH11 ARG 24 HH21 ARG 24 83.688 15.285 14.558 180 HH12 ARG 24 HH22 ARG 24 85.036 14.272 14.163 181 HH21 ARG 24 HH11 ARG 24 85.169 15.286 10.850 182 HH22 ARG 24 HH12 ARG 24 85.874 14.272 12.064 183 H LYS 25 HN LYS 25 81.924 12.515 9.679 184 HA LYS 25 HA LYS 25 81.093 10.025 10.687 185 HB2 LYS 25 HB2 LYS 25 83.553 10.213 8.965 186 HB3 LYS 25 HB1 LYS 25 82.229 9.052 8.888 187 HG2 LYS 25 HG2 LYS 25 81.576 10.363 7.124 188 HG3 LYS 25 HG1 LYS 25 80.852 11.329 8.410 189 HD2 LYS 25 HD2 LYS 25 82.070 12.955 7.277 190 HD3 LYS 25 HD1 LYS 25 83.242 12.449 8.495 191 HE2 LYS 25 HE2 LYS 25 84.124 10.778 6.802 192 HE3 LYS 25 HE1 LYS 25 83.103 11.570 5.601 193 HZ1 LYS 25 HZ1 LYS 25 85.450 12.621 7.027 194 HZ2 LYS 25 HZ2 LYS 25 84.256 13.698 6.478 195 HZ3 LYS 25 HZ3 LYS 25 85.074 12.698 5.374 196 H GLY 26 HN GLY 26 81.969 8.580 12.124 197 HA2 GLY 26 HA2 GLY 26 84.634 8.107 12.749 198 HA3 GLY 26 HA1 GLY 26 84.173 9.444 13.804 199 HA PRO 27 HA PRO 27 81.932 7.072 16.754 200 HB2 PRO 27 HB2 PRO 27 79.291 7.737 15.514 201 HB3 PRO 27 HB1 PRO 27 79.820 7.908 17.199 202 HG2 PRO 27 HG2 PRO 27 79.631 10.011 15.577 203 HG3 PRO 27 HG1 PRO 27 80.910 9.889 16.797 204 HD2 PRO 27 HD2 PRO 27 81.100 9.586 13.837 205 HD3 PRO 27 HD1 PRO 27 82.326 10.144 14.997 206 HA PRO 28 HA PRO 28 81.698 3.140 14.507 207 HB2 PRO 28 HB2 PRO 28 80.485 2.352 17.136 208 HB3 PRO 28 HB1 PRO 28 81.730 1.525 16.178 209 HG2 PRO 28 HG2 PRO 28 82.352 2.961 18.338 210 HG3 PRO 28 HG1 PRO 28 83.407 2.915 16.916 211 HD2 PRO 28 HD2 PRO 28 81.686 5.130 17.900 212 HD3 PRO 28 HD1 PRO 28 83.151 5.199 16.898 213 H LYS 29 HN LYS 29 80.066 2.501 13.157 214 HA LYS 29 HA LYS 29 77.344 2.124 14.049 215 HB2 LYS 29 HB2 LYS 29 77.564 4.669 13.833 216 HB3 LYS 29 HB1 LYS 29 77.733 4.403 12.099 217 HG2 LYS 29 HG2 LYS 29 75.517 2.851 12.849 218 HG3 LYS 29 HG1 LYS 29 75.325 4.370 13.727 219 HD2 LYS 29 HD2 LYS 29 75.966 4.257 10.771 220 HD3 LYS 29 HD1 LYS 29 74.316 4.330 11.390 221 HE2 LYS 29 HE2 LYS 29 74.921 6.416 12.629 222 HE3 LYS 29 HE1 LYS 29 76.511 6.366 11.868 223 HZ1 LYS 29 HZ1 LYS 29 74.495 6.067 9.915 224 HZ2 LYS 29 HZ2 LYS 29 75.679 7.278 10.050 225 HZ3 LYS 29 HZ3 LYS 29 74.184 7.457 10.837 226 H1U RCY 30 H1U RCY 30 76.433 1.299 3.808 227 H1S RCY 30 H1S RCY 30 77.569 1.359 7.840 228 HB1 RCY 30 HB1 RCY 30 79.486 0.783 8.261 229 HB2 RCY 30 HB2 RCY 30 80.644 1.533 9.358 230 HA RCY 30 HA RCY 30 78.070 0.118 10.099 231 HN1 RCY 30 HN1 RCY 30 79.838 1.436 12.102 232 H LYS 31 HN LYS 31 80.475 -0.127 12.379 233 HA LYS 31 HA LYS 31 81.414 -2.708 11.221 234 HB2 LYS 31 HB2 LYS 31 83.003 -0.456 11.551 235 HB3 LYS 31 HB1 LYS 31 83.319 -1.361 13.028 236 HG2 LYS 31 HG2 LYS 31 83.618 -2.354 10.181 237 HG3 LYS 31 HG1 LYS 31 84.903 -2.109 11.363 238 HD2 LYS 31 HD2 LYS 31 83.214 -3.784 12.729 239 HD3 LYS 31 HD1 LYS 31 83.023 -4.361 11.073 240 HE2 LYS 31 HE2 LYS 31 84.863 -5.593 11.937 241 HE3 LYS 31 HE1 LYS 31 85.589 -4.332 10.940 242 HZ1 LYS 31 HZ1 LYS 31 85.907 -2.997 12.934 243 HZ2 LYS 31 HZ2 LYS 31 86.696 -4.495 13.071 244 HZ3 LYS 31 HZ3 LYS 31 85.230 -4.227 13.887 245 H GLN 32 HN GLN 32 79.284 -2.912 12.747 246 HA GLN 32 HA GLN 32 80.172 -4.347 15.083 247 HB2 GLN 32 HB2 GLN 32 80.417 -2.018 15.934 248 HB3 GLN 32 HB1 GLN 32 78.709 -1.737 15.591 249 HG2 GLN 32 HG2 GLN 32 78.025 -3.380 17.197 250 HG3 GLN 32 HG1 GLN 32 79.674 -3.979 17.382 251 HE21 GLN 32 HE21 GLN 32 78.219 -0.668 17.469 252 HE22 GLN 32 HE22 GLN 32 78.928 -0.242 18.951 253 H ARG 33 HN ARG 33 77.807 -3.249 12.889 254 HA ARG 33 HA ARG 33 75.428 -4.188 14.193 255 HE ARG 33 HE ARG 33 74.404 0.132 12.558 256 HB2 ARG 33 HB2 ARG 33 76.056 -3.961 11.233 257 HB3 ARG 33 HB1 ARG 33 74.445 -4.169 11.917 258 HG2 ARG 33 HG2 ARG 33 76.175 -1.896 12.854 259 HG3 ARG 33 HG1 ARG 33 75.287 -1.751 11.336 260 HD2 ARG 33 HD2 ARG 33 73.203 -2.432 12.609 261 HD3 ARG 33 HD1 ARG 33 74.143 -2.265 14.092 262 HH11 ARG 33 HH21 ARG 33 72.142 -1.725 14.380 263 HH12 ARG 33 HH22 ARG 33 71.206 -0.351 14.867 264 HH21 ARG 33 HH11 ARG 33 73.195 1.936 13.184 265 HH22 ARG 33 HH12 ARG 33 71.802 1.721 14.190 266 H GLN 34 HN GLN 34 74.694 -5.890 11.761 267 HA GLN 34 HA GLN 34 76.360 -8.233 11.797 268 HB2 GLN 34 HB2 GLN 34 74.944 -8.010 14.127 269 HB3 GLN 34 HB1 GLN 34 73.803 -8.922 13.143 270 HG2 GLN 34 HG2 GLN 34 76.677 -9.660 13.761 271 HG3 GLN 34 HG1 GLN 34 75.223 -10.516 14.276 272 HE21 GLN 34 HE21 GLN 34 77.666 -10.672 12.013 273 HE22 GLN 34 HE22 GLN 34 76.858 -11.531 10.793 274 H THR 35 HN THR 35 75.083 -6.659 9.822 275 HA THR 35 HA THR 35 72.605 -7.459 8.846 276 HB THR 35 HB THR 35 73.645 -5.814 7.553 277 HG1 THR 35 HG1 THR 35 74.383 -8.005 5.965 278 HG21 THR 35 HG21 THR 35 76.066 -7.608 7.697 279 HG22 THR 35 HG22 THR 35 75.893 -5.953 8.281 280 HG23 THR 35 HG23 THR 35 75.973 -6.273 6.549 281 H ARG 36 HN ARG 36 75.064 -8.723 6.766 282 HA ARG 36 HA ARG 36 74.799 -11.493 7.600 283 HE ARG 36 HE ARG 36 71.492 -11.842 7.344 284 HB2 ARG 36 HB2 ARG 36 72.583 -10.859 6.406 285 HB3 ARG 36 HB1 ARG 36 73.547 -10.828 4.934 286 HG2 ARG 36 HG2 ARG 36 72.623 -13.046 5.120 287 HG3 ARG 36 HG1 ARG 36 74.337 -13.167 5.518 288 HD2 ARG 36 HD2 ARG 36 72.601 -14.331 7.085 289 HD3 ARG 36 HD1 ARG 36 73.920 -13.413 7.812 290 HH11 ARG 36 HH21 ARG 36 73.295 -13.908 9.435 291 HH12 ARG 36 HH22 ARG 36 72.525 -13.339 10.879 292 HH21 ARG 36 HH11 ARG 36 70.477 -11.087 9.218 293 HH22 ARG 36 HH12 ARG 36 70.930 -11.742 10.756 294 H GLN 37 HN GLN 37 76.887 -9.535 6.900 295 HA GLN 37 HA GLN 37 78.889 -9.461 5.680 296 HB2 GLN 37 HB2 GLN 37 78.338 -12.342 4.959 297 HB3 GLN 37 HB1 GLN 37 79.897 -11.557 5.214 298 HG2 GLN 37 HG2 GLN 37 79.145 -11.151 7.621 299 HG3 GLN 37 HG1 GLN 37 77.816 -12.263 7.292 300 HE21 GLN 37 HE21 GLN 37 79.763 -13.747 5.363 301 HE22 GLN 37 HE22 GLN 37 80.695 -14.704 6.410 302 H1U RCY 38 H1U RCY 38 79.011 -2.443 -1.935 303 H1S RCY 38 H1S RCY 38 78.107 -6.688 0.229 304 HB1 RCY 38 HB1 RCY 38 80.558 -9.918 0.734 305 HB2 RCY 38 HB2 RCY 38 80.381 -8.381 1.580 306 HA RCY 38 HA RCY 38 77.827 -8.882 1.479 307 HN1 RCY 38 HN1 RCY 38 79.794 -9.800 3.397 308 H LYS 39 HN LYS 39 76.271 -10.518 1.192 309 HA LYS 39 HA LYS 39 77.278 -13.097 0.047 310 HB2 LYS 39 HB2 LYS 39 75.189 -12.453 1.998 311 HB3 LYS 39 HB1 LYS 39 74.573 -13.443 0.676 312 HG2 LYS 39 HG2 LYS 39 75.403 -14.944 2.376 313 HG3 LYS 39 HG1 LYS 39 76.542 -14.989 1.030 314 HD2 LYS 39 HD2 LYS 39 77.810 -13.124 2.298 315 HD3 LYS 39 HD1 LYS 39 76.841 -13.603 3.693 316 HE2 LYS 39 HE2 LYS 39 78.708 -15.374 2.090 317 HE3 LYS 39 HE1 LYS 39 78.933 -14.835 3.754 318 HZ1 LYS 39 HZ1 LYS 39 78.067 -17.042 3.780 319 HZ2 LYS 39 HZ2 LYS 39 76.798 -16.623 2.731 320 HZ3 LYS 39 HZ3 LYS 39 76.840 -15.997 4.310 321 H SER 40 HN SER 40 75.602 -10.199 -0.638 322 HA SER 40 HA SER 40 73.677 -10.878 -2.532 323 HG SER 40 HG SER 40 74.055 -8.857 -0.907 324 HB2 SER 40 HB2 SER 40 75.711 -8.635 -2.618 325 HB3 SER 40 HB1 SER 40 74.343 -8.751 -3.721 326 H LYS 41 HN LYS 41 73.718 -11.828 -4.534 327 HA LYS 41 HA LYS 41 75.967 -13.249 -5.466 328 HB2 LYS 41 HB2 LYS 41 74.738 -13.494 -7.580 329 HB3 LYS 41 HB1 LYS 41 73.640 -13.684 -6.212 330 HG2 LYS 41 HG2 LYS 41 73.189 -11.153 -6.465 331 HG3 LYS 41 HG1 LYS 41 73.946 -11.310 -8.051 332 HD2 LYS 41 HD2 LYS 41 71.527 -12.843 -7.054 333 HD3 LYS 41 HD1 LYS 41 71.533 -11.583 -8.289 334 HE2 LYS 41 HE2 LYS 41 71.554 -13.569 -9.553 335 HE3 LYS 41 HE1 LYS 41 73.254 -13.102 -9.512 336 HZ1 LYS 41 HZ1 LYS 41 72.304 -15.510 -8.777 337 HZ2 LYS 41 HZ2 LYS 41 72.415 -14.719 -7.278 338 HZ3 LYS 41 HZ3 LYS 41 73.787 -14.862 -8.269 339 HA PRO 42 HA PRO 42 78.438 -10.031 -7.273 340 HB2 PRO 42 HB2 PRO 42 79.931 -11.500 -9.028 341 HB3 PRO 42 HB1 PRO 42 80.175 -11.560 -7.271 342 HG2 PRO 42 HG2 PRO 42 78.724 -13.468 -9.037 343 HG3 PRO 42 HG1 PRO 42 79.796 -13.791 -7.664 344 HD2 PRO 42 HD2 PRO 42 77.063 -13.884 -7.473 345 HD3 PRO 42 HD1 PRO 42 78.117 -13.471 -6.103 346 HA PRO 43 HA PRO 43 76.548 -8.798 -11.090 347 HB2 PRO 43 HB2 PRO 43 78.533 -7.317 -12.253 348 HB3 PRO 43 HB1 PRO 43 77.610 -6.760 -10.844 349 HG2 PRO 43 HG2 PRO 43 80.333 -7.952 -10.963 350 HG3 PRO 43 HG1 PRO 43 79.723 -6.624 -9.961 351 HD2 PRO 43 HD2 PRO 43 80.059 -9.177 -9.015 352 HD3 PRO 43 HD1 PRO 43 78.847 -8.051 -8.365 353 H LYS 44 HN LYS 44 76.751 -8.973 -13.507 354 HA LYS 44 HA LYS 44 77.817 -11.543 -14.273 355 HB2 LYS 44 HB2 LYS 44 77.316 -10.519 -16.658 356 HB3 LYS 44 HB1 LYS 44 75.985 -10.935 -15.580 357 HG2 LYS 44 HG2 LYS 44 77.146 -8.201 -15.309 358 HG3 LYS 44 HG1 LYS 44 76.162 -8.522 -16.738 359 HD2 LYS 44 HD2 LYS 44 75.142 -9.387 -14.055 360 HD3 LYS 44 HD1 LYS 44 75.024 -7.685 -14.504 361 HE2 LYS 44 HE2 LYS 44 74.034 -9.938 -16.269 362 HE3 LYS 44 HE1 LYS 44 73.003 -9.084 -15.121 363 HZ1 LYS 44 HZ1 LYS 44 72.689 -7.900 -17.054 364 HZ2 LYS 44 HZ2 LYS 44 74.303 -8.069 -17.559 365 HZ3 LYS 44 HZ3 LYS 44 73.911 -6.997 -16.300 366 H LYS 45 HN LYS 45 79.045 -8.272 -14.357 367 HA LYS 45 HA LYS 45 81.736 -9.173 -14.855 368 HB2 LYS 45 HB2 LYS 45 82.062 -8.151 -17.072 369 HB3 LYS 45 HB1 LYS 45 80.844 -9.424 -17.154 370 HG2 LYS 45 HG2 LYS 45 79.087 -7.627 -16.843 371 HG3 LYS 45 HG1 LYS 45 80.370 -6.435 -17.051 372 HD2 LYS 45 HD2 LYS 45 80.869 -7.278 -19.272 373 HD3 LYS 45 HD1 LYS 45 79.728 -8.607 -19.066 374 HE2 LYS 45 HE2 LYS 45 78.713 -6.805 -20.398 375 HE3 LYS 45 HE1 LYS 45 77.878 -6.977 -18.855 376 HZ1 LYS 45 HZ1 LYS 45 79.319 -5.176 -17.994 377 HZ2 LYS 45 HZ2 LYS 45 78.280 -4.676 -19.242 378 HZ3 LYS 45 HZ3 LYS 45 79.926 -4.950 -19.562 379 H GLY 46 HN GLY 46 80.231 -7.424 -13.039 380 HA2 GLY 46 HA2 GLY 46 81.114 -4.695 -13.727 381 HA3 GLY 46 HA1 GLY 46 80.191 -5.152 -12.296 382 H VAL 47 HN VAL 47 82.366 -7.428 -12.100 383 HA VAL 47 HA VAL 47 83.941 -6.108 -10.090 384 HB VAL 47 HB VAL 47 84.667 -8.684 -11.505 385 HG11 VAL 47 HG11 VAL 47 85.527 -9.224 -9.198 386 HG12 VAL 47 HG12 VAL 47 85.161 -7.563 -8.732 387 HG13 VAL 47 HG13 VAL 47 86.367 -7.884 -9.978 388 HG21 VAL 47 HG21 VAL 47 83.307 -9.690 -9.543 389 HG22 VAL 47 HG22 VAL 47 82.402 -9.033 -10.907 390 HG23 VAL 47 HG23 VAL 47 82.561 -8.096 -9.422 391 H GLN 48 HN GLN 48 86.121 -7.898 -11.912 392 HA GLN 48 HA GLN 48 88.078 -7.243 -13.033 393 HB2 GLN 48 HB2 GLN 48 85.978 -5.455 -14.280 394 HB3 GLN 48 HB1 GLN 48 87.647 -5.495 -14.849 395 HG2 GLN 48 HG2 GLN 48 87.492 -7.790 -15.466 396 HG3 GLN 48 HG1 GLN 48 85.986 -8.004 -14.572 397 HE21 GLN 48 HE21 GLN 48 86.027 -4.986 -16.165 398 HE22 GLN 48 HE22 GLN 48 85.115 -5.424 -17.528 399 H GLY 49 HN GLY 49 88.804 -6.382 -10.868 400 HA2 GLY 49 HA2 GLY 49 89.892 -3.741 -11.156 401 HA3 GLY 49 HA1 GLY 49 88.530 -3.704 -10.035 402 H1U RCY 50 H1U RCY 50 85.120 -2.986 -3.319 403 H1S RCY 50 H1S RCY 50 88.130 -3.364 -6.342 404 HB1 RCY 50 HB1 RCY 50 92.198 -4.162 -7.064 405 HB2 RCY 50 HB2 RCY 50 91.661 -4.600 -5.443 406 HA RCY 50 HA RCY 50 91.164 -6.257 -7.385 407 HN1 RCY 50 HN1 RCY 50 88.748 -4.704 -8.002 408 H GLY 51 HN GLY 51 88.374 -6.859 -7.295 409 HA2 GLY 51 HA2 GLY 51 87.405 -6.581 -4.566 410 HA3 GLY 51 HA1 GLY 51 86.688 -7.596 -5.818 411 H ASP 52 HN ASP 52 89.619 -7.462 -3.764 412 HA ASP 52 HA ASP 52 89.213 -10.303 -3.074 413 HB2 ASP 52 HB2 ASP 52 91.817 -9.368 -4.317 414 HB3 ASP 52 HB1 ASP 52 91.419 -11.007 -3.801 415 H ASP 53 HN ASP 53 89.101 -7.847 -1.558 416 HA ASP 53 HA ASP 53 91.033 -8.554 0.538 417 HB2 ASP 53 HB2 ASP 53 91.044 -5.758 -0.638 418 HB3 ASP 53 HB1 ASP 53 92.049 -6.347 0.687 419 H ILE 54 HN ILE 54 88.326 -8.826 0.680 420 HA ILE 54 HA ILE 54 86.686 -6.727 1.448 421 HB ILE 54 HB ILE 54 85.786 -8.472 3.199 422 HG12 ILE 54 HG12 ILE 54 87.537 -10.264 1.501 423 HG13 ILE 54 HG11 ILE 54 88.023 -9.714 3.105 424 HG21 ILE 54 HG21 ILE 54 85.891 -8.947 0.207 425 HG22 ILE 54 HG22 ILE 54 84.664 -8.043 1.094 426 HG23 ILE 54 HG23 ILE 54 84.792 -9.790 1.299 427 HD11 ILE 54 HD11 ILE 54 86.871 -11.969 3.069 428 HD12 ILE 54 HD12 ILE 54 85.404 -11.133 2.560 429 HD13 ILE 54 HD13 ILE 54 86.122 -10.777 4.131 430 HA PRO 55 HA PRO 55 89.203 -5.380 4.991 431 HB2 PRO 55 HB2 PRO 55 88.329 -2.824 5.086 432 HB3 PRO 55 HB1 PRO 55 89.468 -3.379 3.842 433 HG2 PRO 55 HG2 PRO 55 86.545 -2.884 3.633 434 HG3 PRO 55 HG1 PRO 55 87.831 -2.574 2.457 435 HD2 PRO 55 HD2 PRO 55 86.120 -4.779 2.401 436 HD3 PRO 55 HD1 PRO 55 87.690 -4.687 1.573 437 H GLY 56 HN GLY 56 85.714 -4.755 4.636 438 HA2 GLY 56 HA2 GLY 56 85.269 -5.662 7.393 439 HA3 GLY 56 HA1 GLY 56 84.877 -3.966 7.107 440 H MET 57 HN MET 57 84.421 -6.893 5.104 441 HA MET 57 HA MET 57 82.506 -7.607 3.942 442 HB2 MET 57 HB2 MET 57 81.107 -6.601 6.437 443 HB3 MET 57 HB1 MET 57 80.512 -7.822 5.313 444 HG2 MET 57 HG2 MET 57 82.306 -9.336 5.910 445 HG3 MET 57 HG1 MET 57 83.080 -8.096 6.897 446 HE1 MET 57 HE1 MET 57 83.324 -9.821 8.474 447 HE2 MET 57 HE2 MET 57 82.174 -11.134 8.235 448 HE3 MET 57 HE3 MET 57 82.164 -10.228 9.746 449 H GLU 58 HN GLU 58 79.900 -6.050 4.879 450 HA GLU 58 HA GLU 58 80.113 -3.377 3.923 451 HB2 GLU 58 HB2 GLU 58 80.658 -4.282 1.751 452 HB3 GLU 58 HB1 GLU 58 79.341 -5.450 1.849 453 HG2 GLU 58 HG2 GLU 58 77.682 -3.750 1.656 454 HG3 GLU 58 HG1 GLU 58 78.858 -2.468 1.950 455 H GLY 59 HN GLY 59 78.316 -2.435 4.787 456 HA2 GLY 59 HA2 GLY 59 75.656 -3.098 4.349 457 HA3 GLY 59 HA1 GLY 59 76.114 -4.070 5.747 458 H1U RCY 60 H1U RCY 60 76.132 3.961 2.549 459 H1S RCY 60 H1S RCY 60 75.160 3.910 7.318 460 HB1 RCY 60 HB1 RCY 60 73.294 0.209 6.652 461 HB2 RCY 60 HB2 RCY 60 74.930 0.541 6.087 462 HA RCY 60 HA RCY 60 75.757 -0.506 8.261 463 HN1 RCY 60 HN1 RCY 60 74.445 -2.680 6.831 464 H GLY 61 HN GLY 61 72.684 0.422 8.458 465 HA2 GLY 61 HA2 GLY 61 72.174 -1.311 10.802 466 HA3 GLY 61 HA1 GLY 61 71.306 0.174 10.408 467 H THR 62 HN THR 62 69.736 0.082 8.642 468 HA THR 62 HA THR 62 68.918 -2.632 7.765 469 HB THR 62 HB THR 62 66.696 -2.453 8.590 470 HG1 THR 62 HG1 THR 62 67.265 0.154 9.516 471 HG21 THR 62 HG21 THR 62 68.444 -2.974 10.313 472 HG22 THR 62 HG22 THR 62 66.989 -2.239 10.986 473 HG23 THR 62 HG23 THR 62 68.444 -1.268 10.762 474 H ASP 63 HN ASP 63 69.985 -0.032 6.589 475 HA ASP 63 HA ASP 63 67.839 1.136 5.045 476 HB2 ASP 63 HB2 ASP 63 70.787 1.108 4.345 477 HB3 ASP 63 HB1 ASP 63 69.577 2.286 3.834 478 H ILE 64 HN ILE 64 67.682 -1.679 4.885 479 HA ILE 64 HA ILE 64 67.394 -3.375 3.293 480 HB ILE 64 HB ILE 64 67.750 -1.219 1.215 481 HG12 ILE 64 HG12 ILE 64 66.107 -0.647 3.106 482 HG13 ILE 64 HG11 ILE 64 65.450 -0.635 1.468 483 HG21 ILE 64 HG21 ILE 64 67.646 -3.473 0.321 484 HG22 ILE 64 HG22 ILE 64 66.103 -2.680 0.003 485 HG23 ILE 64 HG23 ILE 64 66.240 -3.846 1.318 486 HD11 ILE 64 HD11 ILE 64 63.985 -1.841 3.103 487 HD12 ILE 64 HD12 ILE 64 65.288 -3.003 3.355 488 HD13 ILE 64 HD13 ILE 64 64.524 -2.864 1.771 489 H THR 65 HN THR 65 69.437 -4.313 3.875 490 HA THR 65 HA THR 65 71.860 -3.553 2.510 491 HB THR 65 HB THR 65 71.336 -6.326 3.581 492 HG1 THR 65 HG1 THR 65 71.400 -5.601 5.584 493 HG21 THR 65 HG21 THR 65 73.678 -6.282 4.091 494 HG22 THR 65 HG22 THR 65 73.772 -4.545 3.799 495 HG23 THR 65 HG23 THR 65 73.509 -5.653 2.452 496 H VAL 66 HN VAL 66 72.106 -6.673 1.928 497 HA VAL 66 HA VAL 66 72.256 -7.751 -0.185 498 HB VAL 66 HB VAL 66 69.289 -7.139 -0.039 499 HG11 VAL 66 HG11 VAL 66 69.160 -9.371 -1.208 500 HG12 VAL 66 HG12 VAL 66 70.912 -9.310 -1.393 501 HG13 VAL 66 HG13 VAL 66 69.900 -8.095 -2.174 502 HG21 VAL 66 HG21 VAL 66 69.911 -8.091 2.068 503 HG22 VAL 66 HG22 VAL 66 71.004 -9.243 1.300 504 HG23 VAL 66 HG23 VAL 66 69.260 -9.422 1.111 505 H ILE 67 HN ILE 67 69.453 -5.925 -1.246 506 HA ILE 67 HA ILE 67 71.201 -4.263 -3.003 507 HB ILE 67 HB ILE 67 68.863 -5.982 -3.876 508 HG12 ILE 67 HG12 ILE 67 71.665 -5.817 -5.007 509 HG13 ILE 67 HG11 ILE 67 71.245 -6.924 -3.699 510 HG21 ILE 67 HG21 ILE 67 68.485 -4.001 -5.072 511 HG22 ILE 67 HG22 ILE 67 69.536 -4.903 -6.164 512 HG23 ILE 67 HG23 ILE 67 70.204 -3.614 -5.162 513 HD11 ILE 67 HD11 ILE 67 69.561 -8.001 -5.085 514 HD12 ILE 67 HD12 ILE 67 71.090 -7.981 -5.964 515 HD13 ILE 67 HD13 ILE 67 69.822 -6.826 -6.374 516 H1U RCY 68 H1U RCY 68 68.045 1.914 -6.696 517 H1S RCY 68 H1S RCY 68 68.951 1.653 -2.085 518 HB1 RCY 68 HB1 RCY 68 70.022 -0.776 0.057 519 HB2 RCY 68 HB2 RCY 68 68.884 0.466 -0.456 520 HA RCY 68 HA RCY 68 67.948 -1.693 -1.048 521 HN1 RCY 68 HN1 RCY 68 70.645 -2.443 -1.668 522 HA PRO 69 HA PRO 69 66.453 -0.223 -4.939 523 HB2 PRO 69 HB2 PRO 69 65.044 2.033 -4.093 524 HB3 PRO 69 HB1 PRO 69 64.425 0.372 -4.061 525 HG2 PRO 69 HG2 PRO 69 65.569 2.004 -1.862 526 HG3 PRO 69 HG1 PRO 69 64.253 0.818 -1.827 527 HD2 PRO 69 HD2 PRO 69 66.743 0.240 -0.896 528 HD3 PRO 69 HD1 PRO 69 65.706 -0.992 -1.652 529 H TRP 70 HN TRP 70 68.620 1.546 -3.032 530 HA TRP 70 HA TRP 70 68.798 3.904 -4.751 531 HD1 TRP 70 HD1 TRP 70 70.326 5.219 -5.445 532 HE1 TRP 70 HE1 TRP 70 71.097 7.644 -5.036 533 HE3 TRP 70 HE3 TRP 70 70.872 5.126 -0.369 534 HZ2 TRP 70 HZ2 TRP 70 71.847 9.326 -2.842 535 HZ3 TRP 70 HZ3 TRP 70 71.614 7.147 0.853 536 HH2 TRP 70 HH2 TRP 70 72.102 9.244 -0.373 537 HB2 TRP 70 HB2 TRP 70 69.474 3.577 -2.207 538 HB3 TRP 70 HB1 TRP 70 71.003 3.039 -2.894 539 H GLU 71 HN GLU 71 69.877 0.689 -4.903 540 HA GLU 71 HA GLU 71 72.272 1.305 -6.525 541 HB2 GLU 71 HB2 GLU 71 71.015 -1.240 -5.490 542 HB3 GLU 71 HB1 GLU 71 72.316 -1.272 -6.683 543 HG2 GLU 71 HG2 GLU 71 72.528 0.233 -4.066 544 HG3 GLU 71 HG1 GLU 71 73.064 -1.437 -4.256 545 H ALA 72 HN ALA 72 68.927 0.398 -6.934 546 HA ALA 72 HA ALA 72 69.041 -0.719 -9.547 547 HB1 ALA 72 HB1 ALA 72 66.821 1.064 -8.517 548 HB2 ALA 72 HB2 ALA 72 67.020 -0.609 -7.997 549 HB3 ALA 72 HB3 ALA 72 66.695 -0.245 -9.692 550 H1U RCY 73 H1U RCY 73 72.129 1.602 -14.465 551 H1S RCY 73 H1S RCY 73 70.489 5.347 -12.526 552 HB1 RCY 73 HB1 RCY 73 71.316 4.371 -8.855 553 HB2 RCY 73 HB2 RCY 73 69.675 5.004 -8.747 554 HA RCY 73 HA RCY 73 69.072 3.885 -10.836 555 HN1 RCY 73 HN1 RCY 73 69.970 2.342 -8.548 556 H ASN 74 HN ASN 74 72.091 2.202 -9.985 557 HA ASN 74 HA ASN 74 72.829 2.258 -12.881 558 HB2 ASN 74 HB2 ASN 74 74.493 3.084 -10.506 559 HB3 ASN 74 HB1 ASN 74 75.268 2.441 -11.954 560 HD21 ASN 74 HD21 ASN 74 72.442 3.929 -12.967 561 HD22 ASN 74 HD22 ASN 74 73.066 5.459 -13.353 562 H HIS 75 HN HIS 75 74.107 0.427 -13.534 563 HA HIS 75 HA HIS 75 73.493 -2.004 -12.086 564 HD1 HIS 75 HD1 HIS 75 72.209 -0.584 -13.893 565 HD2 HIS 75 HD2 HIS 75 73.483 -3.956 -15.992 566 HE1 HIS 75 HE1 HIS 75 70.279 -1.272 -15.381 567 HE2 HIS 75 HE2 HIS 75 71.041 -3.324 -16.664 568 HB2 HIS 75 HB2 HIS 75 75.253 -1.402 -14.474 569 HB3 HIS 75 HB1 HIS 75 75.067 -3.029 -13.820 570 H1U RCY 76 H1U RCY 76 71.857 -2.710 -5.469 571 H1S RCY 76 H1S RCY 76 75.294 -3.080 -7.529 572 HB1 RCY 76 HB1 RCY 76 77.729 -2.780 -9.465 573 HB2 RCY 76 HB2 RCY 76 75.984 -2.640 -9.249 574 HA RCY 76 HA RCY 76 76.925 0.002 -9.140 575 HN1 RCY 76 HN1 RCY 76 75.090 -0.013 -10.598 576 H GLU 77 HN GLU 77 77.144 -0.451 -12.364 577 HA GLU 77 HA GLU 77 79.796 -1.336 -12.839 578 HB2 GLU 77 HB2 GLU 77 77.684 -0.195 -14.358 579 HB3 GLU 77 HB1 GLU 77 79.099 0.815 -14.649 580 HG2 GLU 77 HG2 GLU 77 79.174 -0.949 -16.276 581 HG3 GLU 77 HG1 GLU 77 80.403 -1.328 -15.069 582 H LEU 78 HN LEU 78 81.552 0.264 -13.695 583 HA LEU 78 HA LEU 78 81.601 2.848 -12.279 584 HG LEU 78 HG LEU 78 82.442 -0.525 -11.488 585 HB2 LEU 78 HB2 LEU 78 83.979 2.091 -11.387 586 HB3 LEU 78 HB1 LEU 78 82.523 1.700 -10.473 587 HD11 LEU 78 HD11 LEU 78 84.782 0.547 -13.068 588 HD12 LEU 78 HD12 LEU 78 83.301 -0.195 -13.673 589 HD13 LEU 78 HD13 LEU 78 84.520 -1.186 -12.871 590 HD21 LEU 78 HD21 LEU 78 83.939 0.002 -9.472 591 HD22 LEU 78 HD22 LEU 78 85.293 -0.029 -10.602 592 HD23 LEU 78 HD23 LEU 78 84.316 -1.477 -10.355 593 H HIS 79 HN HIS 79 82.082 1.176 -14.989 594 HA HIS 79 HA HIS 79 84.520 2.705 -15.815 595 HD1 HIS 79 HD1 HIS 79 84.557 0.984 -19.550 596 HD2 HIS 79 HD2 HIS 79 87.006 1.355 -16.194 597 HE1 HIS 79 HE1 HIS 79 86.894 1.438 -20.416 598 HE2 HIS 79 HE2 HIS 79 88.394 1.666 -18.383 599 HB2 HIS 79 HB2 HIS 79 84.301 0.089 -16.025 600 HB3 HIS 79 HB1 HIS 79 83.316 0.473 -17.436 601 H GLU 80 HN GLU 80 81.183 1.890 -16.717 602 HA GLU 80 HA GLU 80 81.294 3.892 -18.917 603 HB2 GLU 80 HB2 GLU 80 79.300 1.749 -18.153 604 HB3 GLU 80 HB1 GLU 80 78.935 2.984 -19.358 605 HG2 GLU 80 HG2 GLU 80 79.790 1.077 -20.550 606 HG3 GLU 80 HG1 GLU 80 81.061 2.300 -20.557 607 H LEU 81 HN LEU 81 79.188 3.067 -16.133 608 HA LEU 81 HA LEU 81 77.923 5.709 -16.245 609 HG LEU 81 HG LEU 81 77.256 2.466 -16.051 610 HB2 LEU 81 HB2 LEU 81 77.688 3.689 -14.006 611 HB3 LEU 81 HB1 LEU 81 76.535 4.943 -14.463 612 HD11 LEU 81 HD11 LEU 81 75.656 2.003 -14.304 613 HD12 LEU 81 HD12 LEU 81 74.767 2.092 -15.824 614 HD13 LEU 81 HD13 LEU 81 74.729 3.450 -14.700 615 HD21 LEU 81 HD21 LEU 81 76.987 4.133 -17.703 616 HD22 LEU 81 HD22 LEU 81 75.734 4.966 -16.783 617 HD23 LEU 81 HD23 LEU 81 75.377 3.427 -17.565 618 H ALA 82 HN ALA 82 80.884 5.410 -15.687 619 HA ALA 82 HA ALA 82 81.399 6.021 -12.937 620 HB1 ALA 82 HB1 ALA 82 83.044 5.410 -14.887 621 HB2 ALA 82 HB2 ALA 82 83.588 6.495 -13.609 622 HB3 ALA 82 HB3 ALA 82 83.074 7.152 -15.163 623 H GLN 83 HN GLN 83 79.416 7.520 -12.765 624 HA GLN 83 HA GLN 83 79.116 10.012 -13.947 625 HB2 GLN 83 HB2 GLN 83 77.661 9.060 -12.119 626 HB3 GLN 83 HB1 GLN 83 78.898 9.539 -10.956 627 HG2 GLN 83 HG2 GLN 83 77.240 11.297 -11.030 628 HG3 GLN 83 HG1 GLN 83 78.695 11.896 -11.829 629 HE21 GLN 83 HE21 GLN 83 75.420 10.618 -12.454 630 HE22 GLN 83 HE22 GLN 83 75.312 11.214 -14.039 631 H TYR 84 HN TYR 84 80.626 9.936 -10.730 632 HA TYR 84 HA TYR 84 82.439 12.115 -11.604 633 HD1 TYR 84 HD2 TYR 84 80.020 13.416 -9.879 634 HD2 TYR 84 HD1 TYR 84 81.068 9.613 -8.178 635 HE1 TYR 84 HE2 TYR 84 77.664 13.079 -9.181 636 HE2 TYR 84 HE1 TYR 84 78.712 9.277 -7.480 637 HH TYR 84 HH TYR 84 76.671 10.132 -7.429 638 HB2 TYR 84 HB2 TYR 84 82.783 11.179 -8.847 639 HB3 TYR 84 HB1 TYR 84 82.377 12.791 -9.434 640 H GLY 85 HN GLY 85 82.538 8.841 -10.234 641 HA2 GLY 85 HA2 GLY 85 84.330 7.325 -10.042 642 HA3 GLY 85 HA1 GLY 85 84.626 7.810 -11.710 643 H ILE 86 HN ILE 86 86.719 8.292 -11.961 644 HA ILE 86 HA ILE 86 88.952 8.715 -11.142 645 HB ILE 86 HB ILE 86 89.280 11.164 -11.229 646 HG12 ILE 86 HG12 ILE 86 86.482 11.797 -11.801 647 HG13 ILE 86 HG11 ILE 86 86.716 11.241 -10.143 648 HG21 ILE 86 HG21 ILE 86 87.254 10.145 -13.245 649 HG22 ILE 86 HG22 ILE 86 88.995 9.873 -13.324 650 HG23 ILE 86 HG23 ILE 86 88.350 11.507 -13.481 651 HD11 ILE 86 HD11 ILE 86 87.008 13.764 -10.578 652 HD12 ILE 86 HD12 ILE 86 88.516 13.326 -11.381 653 HD13 ILE 86 HD13 ILE 86 88.287 12.955 -9.672 654 H1U RCY 87 H1U RCY 87 85.398 4.312 -0.844 655 H1S RCY 87 H1S RCY 87 86.937 7.901 -3.089 656 HB1 RCY 87 HB1 RCY 87 88.330 6.441 -6.957 657 HB2 RCY 87 HB2 RCY 87 86.779 7.123 -6.469 658 HA RCY 87 HA RCY 87 87.594 9.362 -6.669 659 HN1 RCY 87 HN1 RCY 87 87.853 7.645 -8.942 Start of MODEL 23 1 HA MET 1 HA MET 1 54.358 -20.411 -1.651 2 HB2 MET 1 HB2 MET 1 52.308 -21.407 -0.519 3 HB3 MET 1 HB1 MET 1 52.944 -20.779 1.001 4 HG2 MET 1 HG2 MET 1 52.933 -18.502 0.101 5 HG3 MET 1 HG1 MET 1 52.377 -19.103 -1.461 6 HE1 MET 1 HE1 MET 1 48.776 -19.717 -1.230 7 HE2 MET 1 HE2 MET 1 50.176 -20.725 -1.588 8 HE3 MET 1 HE3 MET 1 50.130 -19.058 -2.157 9 H ASN 2 HN ASN 2 54.391 -20.371 1.903 10 HA ASN 2 HA ASN 2 55.656 -19.065 3.384 11 HB2 ASN 2 HB2 ASN 2 57.426 -20.604 2.303 12 HB3 ASN 2 HB1 ASN 2 57.871 -19.199 1.334 13 HD21 ASN 2 HD21 ASN 2 58.319 -20.713 4.389 14 HD22 ASN 2 HD22 ASN 2 59.115 -19.429 5.163 15 H LEU 3 HN LEU 3 54.584 -17.960 0.502 16 HA LEU 3 HA LEU 3 55.987 -15.363 0.542 17 HG LEU 3 HG LEU 3 54.776 -14.539 -2.760 18 HB2 LEU 3 HB2 LEU 3 55.133 -16.726 -1.555 19 HB3 LEU 3 HB1 LEU 3 53.596 -15.952 -1.185 20 HD11 LEU 3 HD11 LEU 3 55.208 -13.280 -0.045 21 HD12 LEU 3 HD12 LEU 3 53.598 -13.517 -0.724 22 HD13 LEU 3 HD13 LEU 3 54.761 -12.483 -1.553 23 HD21 LEU 3 HD21 LEU 3 57.025 -14.046 -2.652 24 HD22 LEU 3 HD22 LEU 3 57.054 -15.582 -1.786 25 HD23 LEU 3 HD23 LEU 3 57.050 -14.064 -0.888 26 H GLU 4 HN GLU 4 55.299 -14.339 2.445 27 HA GLU 4 HA GLU 4 52.440 -14.217 3.101 28 HB2 GLU 4 HB2 GLU 4 54.956 -13.100 4.338 29 HB3 GLU 4 HB1 GLU 4 53.366 -12.575 4.891 30 HG2 GLU 4 HG2 GLU 4 52.745 -14.922 5.343 31 HG3 GLU 4 HG1 GLU 4 54.339 -15.446 4.799 32 HA PRO 5 HA PRO 5 51.563 -10.526 0.828 33 HB2 PRO 5 HB2 PRO 5 49.690 -9.351 2.479 34 HB3 PRO 5 HB1 PRO 5 49.346 -10.727 1.414 35 HG2 PRO 5 HG2 PRO 5 49.895 -10.690 4.336 36 HG3 PRO 5 HG1 PRO 5 48.750 -11.676 3.411 37 HD2 PRO 5 HD2 PRO 5 51.141 -12.649 4.302 38 HD3 PRO 5 HD1 PRO 5 50.361 -13.234 2.816 39 HA PRO 6 HA PRO 6 53.952 -7.162 2.423 40 HB2 PRO 6 HB2 PRO 6 52.621 -4.973 1.421 41 HB3 PRO 6 HB1 PRO 6 53.643 -6.037 0.436 42 HG2 PRO 6 HG2 PRO 6 50.680 -5.978 0.697 43 HG3 PRO 6 HG1 PRO 6 51.684 -6.245 -0.739 44 HD2 PRO 6 HD2 PRO 6 50.460 -8.288 0.602 45 HD3 PRO 6 HD1 PRO 6 51.995 -8.494 -0.272 46 H LYS 7 HN LYS 7 53.858 -5.205 3.867 47 HA LYS 7 HA LYS 7 51.346 -4.668 5.269 48 HB2 LYS 7 HB2 LYS 7 52.600 -5.276 7.517 49 HB3 LYS 7 HB1 LYS 7 51.757 -6.529 6.608 50 HG2 LYS 7 HG2 LYS 7 54.048 -7.236 7.280 51 HG3 LYS 7 HG1 LYS 7 53.848 -7.199 5.528 52 HD2 LYS 7 HD2 LYS 7 55.056 -5.168 5.320 53 HD3 LYS 7 HD1 LYS 7 54.935 -4.826 7.047 54 HE2 LYS 7 HE2 LYS 7 56.426 -6.661 7.576 55 HE3 LYS 7 HE1 LYS 7 56.436 -7.194 5.895 56 HZ1 LYS 7 HZ1 LYS 7 58.343 -5.967 5.972 57 HZ2 LYS 7 HZ2 LYS 7 57.737 -4.867 7.118 58 HZ3 LYS 7 HZ3 LYS 7 57.246 -4.764 5.494 59 H ALA 8 HN ALA 8 52.067 -3.281 7.385 60 HA ALA 8 HA ALA 8 54.477 -1.678 6.941 61 HB1 ALA 8 HB1 ALA 8 53.145 0.466 6.759 62 HB2 ALA 8 HB2 ALA 8 51.711 -0.524 6.486 63 HB3 ALA 8 HB3 ALA 8 53.048 -0.572 5.337 64 H GLU 9 HN GLU 9 54.156 -3.070 9.135 65 HA GLU 9 HA GLU 9 52.511 -2.142 11.223 66 HB2 GLU 9 HB2 GLU 9 54.150 -3.126 12.750 67 HB3 GLU 9 HB1 GLU 9 53.948 -4.174 11.345 68 HG2 GLU 9 HG2 GLU 9 55.951 -2.996 10.318 69 HG3 GLU 9 HG1 GLU 9 56.213 -2.242 11.890 70 H1U RCY 10 H1U RCY 10 63.151 0.992 9.551 71 H1S RCY 10 H1S RCY 10 60.327 1.892 12.439 72 HB1 RCY 10 HB1 RCY 10 57.328 1.414 9.669 73 HB2 RCY 10 HB2 RCY 10 57.641 0.040 10.727 74 HA RCY 10 HA RCY 10 55.696 1.155 12.166 75 HN1 RCY 10 HN1 RCY 10 55.545 -0.814 9.988 76 H ARG 11 HN ARG 11 55.995 1.878 8.691 77 HA ARG 11 HA ARG 11 53.535 3.323 8.449 78 HE ARG 11 HE ARG 11 52.902 5.191 10.344 79 HB2 ARG 11 HB2 ARG 11 54.572 4.843 10.091 80 HB3 ARG 11 HB1 ARG 11 55.993 4.996 9.064 81 HG2 ARG 11 HG2 ARG 11 54.454 6.917 8.773 82 HG3 ARG 11 HG1 ARG 11 54.621 5.991 7.281 83 HD2 ARG 11 HD2 ARG 11 52.225 6.673 8.090 84 HD3 ARG 11 HD1 ARG 11 52.491 5.041 7.476 85 HH11 ARG 11 HH21 ARG 11 50.589 5.009 7.794 86 HH12 ARG 11 HH22 ARG 11 49.382 4.234 8.765 87 HH21 ARG 11 HH11 ARG 11 51.339 4.180 11.626 88 HH22 ARG 11 HH12 ARG 11 49.807 3.765 10.935 89 H SER 12 HN SER 12 53.312 4.171 6.311 90 HA SER 12 HA SER 12 54.859 2.950 4.279 91 HG SER 12 HG SER 12 53.236 4.834 1.877 92 HB2 SER 12 HB2 SER 12 52.709 3.763 3.663 93 HB3 SER 12 HB1 SER 12 53.055 5.376 4.280 94 H ALA 13 HN ALA 13 54.737 6.471 4.237 95 HA ALA 13 HA ALA 13 57.546 6.596 3.474 96 HB1 ALA 13 HB1 ALA 13 55.657 8.852 4.215 97 HB2 ALA 13 HB2 ALA 13 55.829 8.180 2.594 98 HB3 ALA 13 HB3 ALA 13 57.187 9.011 3.352 99 H THR 14 HN THR 14 58.722 8.622 4.762 100 HA THR 14 HA THR 14 58.295 8.573 7.638 101 HB THR 14 HB THR 14 60.869 7.314 6.674 102 HG1 THR 14 HG1 THR 14 59.853 5.505 6.486 103 HG21 THR 14 HG21 THR 14 59.441 7.359 9.348 104 HG22 THR 14 HG22 THR 14 60.860 8.317 8.925 105 HG23 THR 14 HG23 THR 14 60.979 6.560 9.020 106 H ARG 15 HN ARG 15 58.270 10.876 6.899 107 HA ARG 15 HA ARG 15 59.305 12.961 6.553 108 HE ARG 15 HE ARG 15 60.292 14.528 10.245 109 HB2 ARG 15 HB2 ARG 15 61.561 11.676 8.115 110 HB3 ARG 15 HB1 ARG 15 61.157 13.391 8.036 111 HG2 ARG 15 HG2 ARG 15 59.010 12.958 9.144 112 HG3 ARG 15 HG1 ARG 15 59.366 11.231 9.188 113 HD2 ARG 15 HD2 ARG 15 59.987 12.002 11.339 114 HD3 ARG 15 HD1 ARG 15 61.512 11.897 10.460 115 HH11 ARG 15 HH21 ARG 15 62.196 12.385 12.160 116 HH12 ARG 15 HH22 ARG 15 63.028 13.655 12.994 117 HH21 ARG 15 HH11 ARG 15 61.367 16.200 11.323 118 HH22 ARG 15 HH12 ARG 15 62.558 15.815 12.519 119 H VAL 16 HN VAL 16 62.537 12.438 6.758 120 HA VAL 16 HA VAL 16 62.953 11.506 3.990 121 HB VAL 16 HB VAL 16 62.455 13.957 3.807 122 HG11 VAL 16 HG11 VAL 16 63.888 15.576 4.809 123 HG12 VAL 16 HG12 VAL 16 65.071 14.352 5.270 124 HG13 VAL 16 HG13 VAL 16 63.515 14.430 6.096 125 HG21 VAL 16 HG21 VAL 16 65.370 13.362 3.245 126 HG22 VAL 16 HG22 VAL 16 64.292 14.425 2.340 127 HG23 VAL 16 HG23 VAL 16 64.058 12.678 2.286 128 H MET 17 HN MET 17 64.401 12.894 6.935 129 HA MET 17 HA MET 17 66.590 10.894 6.691 130 HB2 MET 17 HB2 MET 17 66.913 13.890 6.815 131 HB3 MET 17 HB1 MET 17 68.163 12.827 7.460 132 HG2 MET 17 HG2 MET 17 67.051 12.549 4.659 133 HG3 MET 17 HG1 MET 17 68.482 13.510 5.034 134 HE1 MET 17 HE1 MET 17 69.551 10.185 3.235 135 HE2 MET 17 HE2 MET 17 70.131 11.842 3.381 136 HE3 MET 17 HE3 MET 17 68.438 11.539 2.998 137 H GLY 18 HN GLY 18 66.621 13.652 8.871 138 HA2 GLY 18 HA2 GLY 18 65.170 12.672 11.055 139 HA3 GLY 18 HA1 GLY 18 66.765 11.929 11.184 140 H GLY 19 HN GLY 19 65.454 14.011 12.891 141 HA2 GLY 19 HA2 GLY 19 67.138 16.395 12.391 142 HA3 GLY 19 HA1 GLY 19 65.867 16.267 13.608 143 HA PRO 20 HA PRO 20 68.402 14.940 16.962 144 HB2 PRO 20 HB2 PRO 20 67.927 12.030 16.430 145 HB3 PRO 20 HB1 PRO 20 67.753 12.943 17.942 146 HG2 PRO 20 HG2 PRO 20 65.633 12.222 16.510 147 HG3 PRO 20 HG1 PRO 20 65.691 13.780 17.352 148 HD2 PRO 20 HD2 PRO 20 65.931 13.210 14.432 149 HD3 PRO 20 HD1 PRO 20 65.291 14.651 15.252 150 H1U RCY 21 H1U RCY 21 70.028 12.049 7.247 151 H1S RCY 21 H1S RCY 21 69.041 11.743 11.972 152 HB1 RCY 21 HB1 RCY 21 70.968 10.927 15.302 153 HB2 RCY 21 HB2 RCY 21 72.307 10.908 14.154 154 HA RCY 21 HA RCY 21 71.864 13.212 14.531 155 HN1 RCY 21 HN1 RCY 21 68.931 12.894 14.093 156 H THR 22 HN THR 22 72.998 13.574 12.643 157 HA THR 22 HA THR 22 71.622 13.135 10.044 158 HB THR 22 HB THR 22 71.921 15.378 9.312 159 HG1 THR 22 HG1 THR 22 73.622 16.362 10.000 160 HG21 THR 22 HG21 THR 22 70.580 16.633 10.844 161 HG22 THR 22 HG22 THR 22 71.136 15.676 12.217 162 HG23 THR 22 HG23 THR 22 70.073 14.952 11.010 163 HA PRO 23 HA PRO 23 75.912 11.477 9.852 164 HB2 PRO 23 HB2 PRO 23 74.804 10.725 7.175 165 HB3 PRO 23 HB1 PRO 23 75.727 9.743 8.330 166 HG2 PRO 23 HG2 PRO 23 73.100 9.441 8.041 167 HG3 PRO 23 HG1 PRO 23 73.877 9.298 9.627 168 HD2 PRO 23 HD2 PRO 23 72.194 11.519 8.550 169 HD3 PRO 23 HD1 PRO 23 72.381 10.954 10.225 170 H ARG 24 HN ARG 24 77.318 11.495 7.529 171 HA ARG 24 HA ARG 24 77.377 14.392 6.801 172 HE ARG 24 HE ARG 24 81.270 10.732 8.120 173 HB2 ARG 24 HB2 ARG 24 79.584 12.384 6.313 174 HB3 ARG 24 HB1 ARG 24 79.701 14.141 6.373 175 HG2 ARG 24 HG2 ARG 24 80.480 13.633 8.492 176 HG3 ARG 24 HG1 ARG 24 78.755 13.767 8.836 177 HD2 ARG 24 HD2 ARG 24 79.001 11.685 9.723 178 HD3 ARG 24 HD1 ARG 24 78.932 11.156 8.042 179 HH11 ARG 24 HH21 ARG 24 80.116 12.483 10.857 180 HH12 ARG 24 HH22 ARG 24 81.589 12.314 11.753 181 HH21 ARG 24 HH11 ARG 24 83.199 10.501 9.274 182 HH22 ARG 24 HH12 ARG 24 83.334 11.192 10.857 183 H LYS 25 HN LYS 25 76.591 14.871 4.817 184 HA LYS 25 HA LYS 25 77.105 13.001 2.570 185 HB2 LYS 25 HB2 LYS 25 74.727 13.186 1.835 186 HB3 LYS 25 HB1 LYS 25 74.897 12.338 3.372 187 HG2 LYS 25 HG2 LYS 25 74.558 14.697 4.437 188 HG3 LYS 25 HG1 LYS 25 73.890 15.129 2.863 189 HD2 LYS 25 HD2 LYS 25 72.233 13.357 3.021 190 HD3 LYS 25 HD1 LYS 25 72.953 12.772 4.522 191 HE2 LYS 25 HE2 LYS 25 71.881 15.584 4.217 192 HE3 LYS 25 HE1 LYS 25 70.890 14.245 4.795 193 HZ1 LYS 25 HZ1 LYS 25 72.604 13.860 6.521 194 HZ2 LYS 25 HZ2 LYS 25 71.819 15.359 6.667 195 HZ3 LYS 25 HZ3 LYS 25 73.388 15.279 6.020 196 H GLY 26 HN GLY 26 75.525 16.090 3.464 197 HA2 GLY 26 HA2 GLY 26 75.563 18.169 2.375 198 HA3 GLY 26 HA1 GLY 26 77.215 17.743 1.928 199 HA PRO 27 HA PRO 27 74.608 18.336 -1.948 200 HB2 PRO 27 HB2 PRO 27 77.400 18.983 -2.812 201 HB3 PRO 27 HB1 PRO 27 75.876 19.795 -3.222 202 HG2 PRO 27 HG2 PRO 27 77.572 20.832 -1.454 203 HG3 PRO 27 HG1 PRO 27 75.818 20.972 -1.250 204 HD2 PRO 27 HD2 PRO 27 77.751 19.255 0.234 205 HD3 PRO 27 HD1 PRO 27 76.208 19.950 0.778 206 HA PRO 28 HA PRO 28 75.545 14.024 -3.001 207 HB2 PRO 28 HB2 PRO 28 74.314 14.978 -5.567 208 HB3 PRO 28 HB1 PRO 28 73.990 13.495 -4.648 209 HG2 PRO 28 HG2 PRO 28 72.336 15.583 -4.554 210 HG3 PRO 28 HG1 PRO 28 72.639 14.573 -3.131 211 HD2 PRO 28 HD2 PRO 28 73.552 17.347 -3.688 212 HD3 PRO 28 HD1 PRO 28 73.303 16.533 -2.128 213 H LYS 29 HN LYS 29 77.469 13.257 -3.791 214 HA LYS 29 HA LYS 29 78.567 13.833 -6.331 215 HB2 LYS 29 HB2 LYS 29 79.010 15.938 -4.414 216 HB3 LYS 29 HB1 LYS 29 80.556 15.172 -4.773 217 HG2 LYS 29 HG2 LYS 29 80.258 15.525 -7.146 218 HG3 LYS 29 HG1 LYS 29 78.603 16.086 -6.904 219 HD2 LYS 29 HD2 LYS 29 79.331 18.080 -5.819 220 HD3 LYS 29 HD1 LYS 29 80.974 17.467 -5.634 221 HE2 LYS 29 HE2 LYS 29 80.501 19.162 -7.552 222 HE3 LYS 29 HE1 LYS 29 81.464 17.731 -7.919 223 HZ1 LYS 29 HZ1 LYS 29 79.677 16.699 -8.956 224 HZ2 LYS 29 HZ2 LYS 29 79.549 18.311 -9.475 225 HZ3 LYS 29 HZ3 LYS 29 78.530 17.728 -8.248 226 H1U RCY 30 H1U RCY 30 78.137 5.978 -11.295 227 H1S RCY 30 H1S RCY 30 80.262 8.602 -9.036 228 HB1 RCY 30 HB1 RCY 30 81.458 8.999 -6.077 229 HB2 RCY 30 HB2 RCY 30 82.040 10.200 -7.229 230 HA RCY 30 HA RCY 30 80.933 10.584 -4.476 231 HN1 RCY 30 HN1 RCY 30 80.187 12.346 -6.722 232 H LYS 31 HN LYS 31 82.331 12.097 -3.334 233 HA LYS 31 HA LYS 31 85.079 11.884 -4.075 234 HB2 LYS 31 HB2 LYS 31 84.551 13.609 -5.713 235 HB3 LYS 31 HB1 LYS 31 83.749 14.582 -4.480 236 HG2 LYS 31 HG2 LYS 31 86.092 15.343 -5.004 237 HG3 LYS 31 HG1 LYS 31 85.841 14.933 -3.307 238 HD2 LYS 31 HD2 LYS 31 86.887 12.778 -3.598 239 HD3 LYS 31 HD1 LYS 31 86.958 12.992 -5.347 240 HE2 LYS 31 HE2 LYS 31 88.468 14.934 -5.034 241 HE3 LYS 31 HE1 LYS 31 88.426 14.670 -3.291 242 HZ1 LYS 31 HZ1 LYS 31 89.099 12.353 -4.900 243 HZ2 LYS 31 HZ2 LYS 31 89.767 12.892 -3.434 244 HZ3 LYS 31 HZ3 LYS 31 90.252 13.597 -4.902 245 H GLN 32 HN GLN 32 82.529 12.868 -2.047 246 HA GLN 32 HA GLN 32 83.790 14.404 -0.055 247 HB2 GLN 32 HB2 GLN 32 81.643 12.282 0.136 248 HB3 GLN 32 HB1 GLN 32 82.158 13.236 1.528 249 HG2 GLN 32 HG2 GLN 32 81.239 14.484 -1.073 250 HG3 GLN 32 HG1 GLN 32 80.148 14.159 0.275 251 HE21 GLN 32 HE21 GLN 32 81.326 14.975 2.515 252 HE22 GLN 32 HE22 GLN 32 81.898 16.570 2.425 253 H ARG 33 HN ARG 33 82.976 11.307 1.214 254 HA ARG 33 HA ARG 33 85.693 11.021 2.292 255 HE ARG 33 HE ARG 33 84.779 11.902 6.897 256 HB2 ARG 33 HB2 ARG 33 83.131 9.450 2.642 257 HB3 ARG 33 HB1 ARG 33 84.656 8.946 3.370 258 HG2 ARG 33 HG2 ARG 33 83.752 11.776 3.763 259 HG3 ARG 33 HG1 ARG 33 82.976 10.504 4.708 260 HD2 ARG 33 HD2 ARG 33 85.012 9.862 5.730 261 HD3 ARG 33 HD1 ARG 33 85.981 10.709 4.526 262 HH11 ARG 33 HH21 ARG 33 85.841 12.364 3.649 263 HH12 ARG 33 HH22 ARG 33 86.135 14.060 3.846 264 HH21 ARG 33 HH11 ARG 33 85.157 14.113 7.172 265 HH22 ARG 33 HH12 ARG 33 85.747 15.050 5.840 266 H GLN 34 HN GLN 34 87.165 9.429 1.702 267 HA GLN 34 HA GLN 34 86.376 7.323 -0.204 268 HB2 GLN 34 HB2 GLN 34 88.288 8.014 -1.751 269 HB3 GLN 34 HB1 GLN 34 86.863 9.052 -1.790 270 HG2 GLN 34 HG2 GLN 34 87.908 10.718 -0.450 271 HG3 GLN 34 HG1 GLN 34 89.210 9.627 0.024 272 HE21 GLN 34 HE21 GLN 34 87.869 11.353 -2.824 273 HE22 GLN 34 HE22 GLN 34 89.336 11.407 -3.675 274 H THR 35 HN THR 35 88.042 5.658 -0.360 275 HA THR 35 HA THR 35 90.520 5.933 1.134 276 HB THR 35 HB THR 35 88.469 4.033 2.290 277 HG1 THR 35 HG1 THR 35 89.257 6.271 3.702 278 HG21 THR 35 HG21 THR 35 90.970 3.633 2.574 279 HG22 THR 35 HG22 THR 35 90.044 3.772 4.069 280 HG23 THR 35 HG23 THR 35 91.012 5.132 3.501 281 H ARG 36 HN ARG 36 88.333 3.140 0.604 282 HA ARG 36 HA ARG 36 89.628 2.160 -1.730 283 HE ARG 36 HE ARG 36 92.619 -2.289 1.177 284 HB2 ARG 36 HB2 ARG 36 91.653 1.739 -0.672 285 HB3 ARG 36 HB1 ARG 36 90.894 1.469 0.894 286 HG2 ARG 36 HG2 ARG 36 90.202 -0.722 0.313 287 HG3 ARG 36 HG1 ARG 36 90.457 -0.435 -1.409 288 HD2 ARG 36 HD2 ARG 36 92.718 -0.789 -1.273 289 HD3 ARG 36 HD1 ARG 36 92.832 -0.102 0.347 290 HH11 ARG 36 HH21 ARG 36 91.225 -1.981 -1.961 291 HH12 ARG 36 HH22 ARG 36 90.809 -3.657 -2.086 292 HH21 ARG 36 HH11 ARG 36 92.083 -4.480 1.032 293 HH22 ARG 36 HH12 ARG 36 91.294 -5.072 -0.392 294 H GLN 37 HN GLN 37 87.867 1.033 -2.492 295 HA GLN 37 HA GLN 37 86.941 -1.329 -1.149 296 HB2 GLN 37 HB2 GLN 37 85.901 0.697 0.168 297 HB3 GLN 37 HB1 GLN 37 84.794 0.774 -1.200 298 HG2 GLN 37 HG2 GLN 37 83.727 -0.668 0.355 299 HG3 GLN 37 HG1 GLN 37 84.443 -1.751 -0.840 300 HE21 GLN 37 HE21 GLN 37 85.624 -0.072 2.144 301 HE22 GLN 37 HE22 GLN 37 86.378 -1.450 2.789 302 H1U RCY 38 H1U RCY 38 82.368 1.562 -0.104 303 H1S RCY 38 H1S RCY 38 81.679 -0.363 -4.350 304 HB1 RCY 38 HB1 RCY 38 84.807 0.656 -6.415 305 HB2 RCY 38 HB2 RCY 38 84.643 0.716 -4.662 306 HA RCY 38 HA RCY 38 85.915 -1.759 -5.456 307 HN1 RCY 38 HN1 RCY 38 87.587 -0.062 -3.924 308 H LYS 39 HN LYS 39 87.802 -2.097 -6.648 309 HA LYS 39 HA LYS 39 88.253 -0.449 -8.911 310 HB2 LYS 39 HB2 LYS 39 89.298 0.989 -7.015 311 HB3 LYS 39 HB1 LYS 39 90.582 -0.219 -7.007 312 HG2 LYS 39 HG2 LYS 39 90.715 0.147 -9.546 313 HG3 LYS 39 HG1 LYS 39 89.740 1.591 -9.270 314 HD2 LYS 39 HD2 LYS 39 91.866 2.494 -9.077 315 HD3 LYS 39 HD1 LYS 39 91.560 2.055 -7.396 316 HE2 LYS 39 HE2 LYS 39 93.707 1.165 -7.839 317 HE3 LYS 39 HE1 LYS 39 92.627 -0.220 -7.996 318 HZ1 LYS 39 HZ1 LYS 39 93.168 -0.438 -10.120 319 HZ2 LYS 39 HZ2 LYS 39 94.378 0.732 -9.890 320 HZ3 LYS 39 HZ3 LYS 39 92.841 1.194 -10.449 321 H SER 40 HN SER 40 88.560 -2.212 -10.188 322 HA SER 40 HA SER 40 89.490 -4.205 -11.011 323 HG SER 40 HG SER 40 91.873 -5.186 -11.273 324 HB2 SER 40 HB2 SER 40 91.475 -2.969 -11.386 325 HB3 SER 40 HB1 SER 40 91.824 -2.844 -9.664 326 H LYS 41 HN LYS 41 88.625 -6.005 -10.055 327 HA LYS 41 HA LYS 41 90.028 -7.084 -7.692 328 HB2 LYS 41 HB2 LYS 41 88.114 -7.345 -6.332 329 HB3 LYS 41 HB1 LYS 41 87.985 -5.705 -6.950 330 HG2 LYS 41 HG2 LYS 41 86.600 -8.124 -8.152 331 HG3 LYS 41 HG1 LYS 41 85.821 -6.923 -7.122 332 HD2 LYS 41 HD2 LYS 41 87.132 -6.383 -9.803 333 HD3 LYS 41 HD1 LYS 41 85.397 -6.411 -9.486 334 HE2 LYS 41 HE2 LYS 41 86.092 -4.637 -7.613 335 HE3 LYS 41 HE1 LYS 41 87.432 -4.361 -8.726 336 HZ1 LYS 41 HZ1 LYS 41 84.881 -4.557 -10.031 337 HZ2 LYS 41 HZ2 LYS 41 86.098 -3.384 -10.197 338 HZ3 LYS 41 HZ3 LYS 41 84.966 -3.264 -8.936 339 HA PRO 42 HA PRO 42 89.428 -10.736 -10.152 340 HB2 PRO 42 HB2 PRO 42 90.166 -12.632 -8.341 341 HB3 PRO 42 HB1 PRO 42 91.334 -11.537 -9.108 342 HG2 PRO 42 HG2 PRO 42 90.108 -11.380 -6.399 343 HG3 PRO 42 HG1 PRO 42 91.776 -11.061 -6.904 344 HD2 PRO 42 HD2 PRO 42 89.939 -9.069 -6.450 345 HD3 PRO 42 HD1 PRO 42 91.300 -8.901 -7.580 346 HA PRO 43 HA PRO 43 85.404 -12.289 -9.016 347 HB2 PRO 43 HB2 PRO 43 85.267 -14.520 -10.556 348 HB3 PRO 43 HB1 PRO 43 85.233 -12.887 -11.252 349 HG2 PRO 43 HG2 PRO 43 87.499 -14.810 -11.077 350 HG3 PRO 43 HG1 PRO 43 87.028 -13.737 -12.406 351 HD2 PRO 43 HD2 PRO 43 89.061 -13.162 -10.635 352 HD3 PRO 43 HD1 PRO 43 88.134 -11.922 -11.508 353 H LYS 44 HN LYS 44 84.877 -13.300 -7.116 354 HA LYS 44 HA LYS 44 86.010 -15.997 -6.565 355 HB2 LYS 44 HB2 LYS 44 86.115 -13.622 -4.683 356 HB3 LYS 44 HB1 LYS 44 86.369 -15.287 -4.162 357 HG2 LYS 44 HG2 LYS 44 87.980 -13.937 -6.348 358 HG3 LYS 44 HG1 LYS 44 88.505 -14.055 -4.668 359 HD2 LYS 44 HD2 LYS 44 87.970 -16.627 -5.027 360 HD3 LYS 44 HD1 LYS 44 88.227 -16.216 -6.723 361 HE2 LYS 44 HE2 LYS 44 90.171 -15.838 -4.432 362 HE3 LYS 44 HE1 LYS 44 90.356 -16.902 -5.826 363 HZ1 LYS 44 HZ1 LYS 44 90.476 -13.956 -5.726 364 HZ2 LYS 44 HZ2 LYS 44 90.134 -14.765 -7.180 365 HZ3 LYS 44 HZ3 LYS 44 91.604 -15.044 -6.375 366 H LYS 45 HN LYS 45 84.566 -14.591 -3.862 367 HA LYS 45 HA LYS 45 81.787 -15.093 -4.610 368 HB2 LYS 45 HB2 LYS 45 81.569 -16.904 -2.798 369 HB3 LYS 45 HB1 LYS 45 82.327 -17.390 -4.314 370 HG2 LYS 45 HG2 LYS 45 84.558 -17.036 -3.315 371 HG3 LYS 45 HG1 LYS 45 83.800 -16.559 -1.795 372 HD2 LYS 45 HD2 LYS 45 82.815 -18.757 -1.527 373 HD3 LYS 45 HD1 LYS 45 83.370 -19.248 -3.128 374 HE2 LYS 45 HE2 LYS 45 85.742 -18.754 -2.291 375 HE3 LYS 45 HE1 LYS 45 85.041 -18.681 -0.674 376 HZ1 LYS 45 HZ1 LYS 45 84.018 -20.936 -1.323 377 HZ2 LYS 45 HZ2 LYS 45 85.654 -20.879 -0.869 378 HZ3 LYS 45 HZ3 LYS 45 85.228 -20.976 -2.511 379 H GLY 46 HN GLY 46 84.226 -13.985 -2.469 380 HA2 GLY 46 HA2 GLY 46 82.802 -11.978 -1.236 381 HA3 GLY 46 HA1 GLY 46 82.441 -13.386 -0.236 382 H VAL 47 HN VAL 47 84.750 -14.749 -0.059 383 HA VAL 47 HA VAL 47 86.322 -13.214 1.767 384 HB VAL 47 HB VAL 47 87.997 -15.156 1.409 385 HG11 VAL 47 HG11 VAL 47 85.126 -15.744 2.200 386 HG12 VAL 47 HG12 VAL 47 86.367 -15.071 3.258 387 HG13 VAL 47 HG13 VAL 47 86.529 -16.716 2.645 388 HG21 VAL 47 HG21 VAL 47 87.033 -15.638 -0.906 389 HG22 VAL 47 HG22 VAL 47 85.632 -16.322 -0.081 390 HG23 VAL 47 HG23 VAL 47 87.226 -17.042 0.144 391 H GLN 48 HN GLN 48 86.633 -11.306 0.254 392 HA GLN 48 HA GLN 48 89.314 -11.435 -0.890 393 HB2 GLN 48 HB2 GLN 48 88.694 -10.804 -3.164 394 HB3 GLN 48 HB1 GLN 48 87.902 -12.325 -2.750 395 HG2 GLN 48 HG2 GLN 48 85.870 -10.977 -2.078 396 HG3 GLN 48 HG1 GLN 48 86.666 -9.560 -2.764 397 HE21 GLN 48 HE21 GLN 48 84.195 -10.670 -3.823 398 HE22 GLN 48 HE22 GLN 48 84.520 -11.234 -5.390 399 H GLY 49 HN GLY 49 90.178 -9.319 -1.224 400 HA2 GLY 49 HA2 GLY 49 89.036 -7.258 0.414 401 HA3 GLY 49 HA1 GLY 49 90.385 -7.038 -0.702 402 H1U RCY 50 H1U RCY 50 80.389 -2.823 -3.579 403 H1S RCY 50 H1S RCY 50 85.021 -3.749 -3.383 404 HB1 RCY 50 HB1 RCY 50 86.838 -3.198 -3.163 405 HB2 RCY 50 HB2 RCY 50 87.887 -3.363 -1.754 406 HA RCY 50 HA RCY 50 87.453 -5.623 -3.717 407 HN1 RCY 50 HN1 RCY 50 89.886 -5.410 -2.090 408 H GLY 51 HN GLY 51 89.169 -2.607 -3.077 409 HA2 GLY 51 HA2 GLY 51 91.058 -2.957 -5.263 410 HA3 GLY 51 HA1 GLY 51 89.700 -1.925 -5.709 411 H ASP 52 HN ASP 52 89.996 0.212 -5.314 412 HA ASP 52 HA ASP 52 91.330 1.116 -2.874 413 HB2 ASP 52 HB2 ASP 52 93.107 0.564 -4.759 414 HB3 ASP 52 HB1 ASP 52 92.589 2.119 -5.407 415 H ASP 53 HN ASP 53 88.721 1.531 -3.733 416 HA ASP 53 HA ASP 53 88.576 4.419 -3.729 417 HB2 ASP 53 HB2 ASP 53 89.105 3.808 -6.174 418 HB3 ASP 53 HB1 ASP 53 87.481 3.121 -6.229 419 H ILE 54 HN ILE 54 86.482 5.100 -3.139 420 HA ILE 54 HA ILE 54 84.691 2.947 -2.245 421 HB ILE 54 HB ILE 54 85.141 5.779 -1.595 422 HG12 ILE 54 HG12 ILE 54 84.135 4.969 0.580 423 HG13 ILE 54 HG11 ILE 54 83.891 3.400 -0.189 424 HG21 ILE 54 HG21 ILE 54 82.310 4.730 -1.854 425 HG22 ILE 54 HG22 ILE 54 82.997 6.147 -2.648 426 HG23 ILE 54 HG23 ILE 54 82.743 6.150 -0.903 427 HD11 ILE 54 HD11 ILE 54 86.520 4.811 0.322 428 HD12 ILE 54 HD12 ILE 54 86.373 3.405 -0.732 429 HD13 ILE 54 HD13 ILE 54 85.982 3.266 0.982 430 HA PRO 55 HA PRO 55 82.143 3.335 -5.885 431 HB2 PRO 55 HB2 PRO 55 79.978 1.916 -5.076 432 HB3 PRO 55 HB1 PRO 55 81.538 1.141 -5.419 433 HG2 PRO 55 HG2 PRO 55 80.343 1.873 -2.791 434 HG3 PRO 55 HG1 PRO 55 81.230 0.413 -3.260 435 HD2 PRO 55 HD2 PRO 55 82.375 2.509 -1.883 436 HD3 PRO 55 HD1 PRO 55 83.292 1.399 -2.926 437 H GLY 56 HN GLY 56 82.053 5.616 -4.070 438 HA2 GLY 56 HA2 GLY 56 80.695 7.500 -3.723 439 HA3 GLY 56 HA1 GLY 56 79.589 6.815 -4.915 440 H MET 57 HN MET 57 80.467 6.764 -1.488 441 HA MET 57 HA MET 57 78.663 4.970 -0.405 442 HB2 MET 57 HB2 MET 57 78.618 6.345 1.600 443 HB3 MET 57 HB1 MET 57 80.237 6.416 0.903 444 HG2 MET 57 HG2 MET 57 79.428 8.527 -0.329 445 HG3 MET 57 HG1 MET 57 78.062 8.508 0.787 446 HE1 MET 57 HE1 MET 57 78.772 10.855 1.261 447 HE2 MET 57 HE2 MET 57 79.620 11.171 2.772 448 HE3 MET 57 HE3 MET 57 78.196 10.134 2.769 449 H GLU 58 HN GLU 58 77.920 8.283 -1.498 450 HA GLU 58 HA GLU 58 75.164 7.502 -2.054 451 HB2 GLU 58 HB2 GLU 58 75.216 7.978 0.449 452 HB3 GLU 58 HB1 GLU 58 75.588 9.652 0.035 453 HG2 GLU 58 HG2 GLU 58 73.520 9.765 -1.323 454 HG3 GLU 58 HG1 GLU 58 73.139 8.105 -0.865 455 H GLY 59 HN GLY 59 74.190 8.971 -3.488 456 HA2 GLY 59 HA2 GLY 59 75.165 11.658 -3.890 457 HA3 GLY 59 HA1 GLY 59 75.799 10.570 -5.126 458 H1U RCY 60 H1U RCY 60 75.596 4.016 -5.230 459 H1S RCY 60 H1S RCY 60 72.383 6.901 -7.432 460 HB1 RCY 60 HB1 RCY 60 70.814 9.436 -7.580 461 HB2 RCY 60 HB2 RCY 60 71.180 8.072 -6.523 462 HA RCY 60 HA RCY 60 71.222 11.006 -5.925 463 HN1 RCY 60 HN1 RCY 60 72.901 9.289 -4.195 464 H GLY 61 HN GLY 61 69.181 8.925 -6.156 465 HA2 GLY 61 HA2 GLY 61 68.166 9.046 -3.371 466 HA3 GLY 61 HA1 GLY 61 67.193 8.707 -4.806 467 H THR 62 HN THR 62 66.445 6.640 -4.658 468 HA THR 62 HA THR 62 68.105 4.379 -4.842 469 HB THR 62 HB THR 62 68.987 4.460 -2.707 470 HG1 THR 62 HG1 THR 62 67.457 3.224 -1.307 471 HG21 THR 62 HG21 THR 62 67.221 5.188 -0.793 472 HG22 THR 62 HG22 THR 62 66.553 6.072 -2.165 473 HG23 THR 62 HG23 THR 62 68.222 6.348 -1.666 474 H ASP 63 HN ASP 63 65.297 5.722 -5.239 475 HA ASP 63 HA ASP 63 63.355 3.873 -4.223 476 HB2 ASP 63 HB2 ASP 63 63.170 5.416 -6.827 477 HB3 ASP 63 HB1 ASP 63 61.835 4.842 -5.826 478 H ILE 64 HN ILE 64 64.827 1.942 -4.664 479 HA ILE 64 HA ILE 64 65.627 0.203 -6.069 480 HB ILE 64 HB ILE 64 63.549 -0.711 -5.364 481 HG12 ILE 64 HG12 ILE 64 63.078 -0.957 -8.295 482 HG13 ILE 64 HG11 ILE 64 64.673 -1.431 -7.710 483 HG21 ILE 64 HG21 ILE 64 61.414 -0.107 -6.533 484 HG22 ILE 64 HG22 ILE 64 62.298 1.136 -7.419 485 HG23 ILE 64 HG23 ILE 64 62.139 1.248 -5.666 486 HD11 ILE 64 HD11 ILE 64 63.672 -2.978 -6.111 487 HD12 ILE 64 HD12 ILE 64 63.053 -3.331 -7.724 488 HD13 ILE 64 HD13 ILE 64 62.053 -2.448 -6.570 489 H THR 65 HN THR 65 66.798 1.833 -7.464 490 HA THR 65 HA THR 65 65.695 2.802 -9.904 491 HB THR 65 HB THR 65 68.544 1.811 -9.592 492 HG1 THR 65 HG1 THR 65 67.603 3.273 -7.881 493 HG21 THR 65 HG21 THR 65 69.053 3.533 -11.206 494 HG22 THR 65 HG22 THR 65 67.410 4.168 -11.119 495 HG23 THR 65 HG23 THR 65 67.708 2.586 -11.840 496 H VAL 66 HN VAL 66 66.580 -0.323 -8.832 497 HA VAL 66 HA VAL 66 65.455 -1.585 -11.206 498 HB VAL 66 HB VAL 66 67.774 -3.027 -11.172 499 HG11 VAL 66 HG11 VAL 66 67.466 -0.481 -12.783 500 HG12 VAL 66 HG12 VAL 66 66.545 -1.948 -13.115 501 HG13 VAL 66 HG13 VAL 66 68.302 -1.959 -13.260 502 HG21 VAL 66 HG21 VAL 66 68.667 -1.278 -9.515 503 HG22 VAL 66 HG22 VAL 66 68.686 -0.158 -10.877 504 HG23 VAL 66 HG23 VAL 66 69.679 -1.615 -10.919 505 H ILE 67 HN ILE 67 67.885 -2.760 -8.901 506 HA ILE 67 HA ILE 67 65.765 -4.151 -7.377 507 HB ILE 67 HB ILE 67 66.818 -5.649 -9.229 508 HG12 ILE 67 HG12 ILE 67 67.130 -6.741 -6.433 509 HG13 ILE 67 HG11 ILE 67 65.539 -6.322 -7.068 510 HG21 ILE 67 HG21 ILE 67 68.990 -6.453 -8.926 511 HG22 ILE 67 HG22 ILE 67 69.017 -6.024 -7.215 512 HG23 ILE 67 HG23 ILE 67 69.166 -4.766 -8.442 513 HD11 ILE 67 HD11 ILE 67 66.523 -8.766 -7.391 514 HD12 ILE 67 HD12 ILE 67 67.343 -8.011 -8.757 515 HD13 ILE 67 HD13 ILE 67 65.582 -7.998 -8.669 516 H1U RCY 68 H1U RCY 68 70.450 -0.941 0.338 517 H1S RCY 68 H1S RCY 68 68.915 1.027 -3.186 518 HB1 RCY 68 HB1 RCY 68 67.513 -1.757 -2.432 519 HB2 RCY 68 HB2 RCY 68 66.083 -2.097 -3.399 520 HA RCY 68 HA RCY 68 68.816 -2.147 -4.666 521 HN1 RCY 68 HN1 RCY 68 66.174 -2.795 -5.578 522 HA PRO 69 HA PRO 69 70.309 -5.739 -2.593 523 HB2 PRO 69 HB2 PRO 69 70.340 -4.212 -0.021 524 HB3 PRO 69 HB1 PRO 69 71.644 -5.124 -0.807 525 HG2 PRO 69 HG2 PRO 69 71.579 -2.460 -0.853 526 HG3 PRO 69 HG1 PRO 69 72.165 -3.398 -2.237 527 HD2 PRO 69 HD2 PRO 69 69.588 -1.921 -1.922 528 HD3 PRO 69 HD1 PRO 69 70.533 -2.243 -3.393 529 H TRP 70 HN TRP 70 67.405 -4.230 -1.622 530 HA TRP 70 HA TRP 70 66.720 -6.171 0.453 531 HD1 TRP 70 HD1 TRP 70 65.841 -4.850 -2.891 532 HE1 TRP 70 HE1 TRP 70 63.903 -4.033 -4.379 533 HE3 TRP 70 HE3 TRP 70 62.516 -3.410 0.707 534 HZ2 TRP 70 HZ2 TRP 70 61.283 -2.913 -4.082 535 HZ3 TRP 70 HZ3 TRP 70 60.313 -2.474 0.079 536 HH2 TRP 70 HH2 TRP 70 59.690 -2.223 -2.306 537 HB2 TRP 70 HB2 TRP 70 64.702 -4.982 0.707 538 HB3 TRP 70 HB1 TRP 70 65.866 -3.741 0.260 539 H GLU 71 HN GLU 71 67.105 -6.591 -2.740 540 HA GLU 71 HA GLU 71 64.976 -8.689 -2.830 541 HB2 GLU 71 HB2 GLU 71 65.535 -6.487 -4.778 542 HB3 GLU 71 HB1 GLU 71 65.085 -8.062 -5.434 543 HG2 GLU 71 HG2 GLU 71 63.059 -8.073 -4.025 544 HG3 GLU 71 HG1 GLU 71 63.505 -6.497 -3.370 545 H ALA 72 HN ALA 72 67.719 -7.541 -4.841 546 HA ALA 72 HA ALA 72 68.487 -10.288 -5.453 547 HB1 ALA 72 HB1 ALA 72 68.835 -8.391 -7.043 548 HB2 ALA 72 HB2 ALA 72 70.320 -9.279 -6.705 549 HB3 ALA 72 HB3 ALA 72 70.028 -7.721 -5.932 550 H1U RCY 73 H1U RCY 73 74.176 -5.639 0.830 551 H1S RCY 73 H1S RCY 73 72.901 -10.029 0.835 552 HB1 RCY 73 HB1 RCY 73 69.091 -11.585 -0.607 553 HB2 RCY 73 HB2 RCY 73 68.924 -9.856 -0.299 554 HA RCY 73 HA RCY 73 71.023 -9.474 -1.614 555 HN1 RCY 73 HN1 RCY 73 68.517 -10.346 -2.792 556 H ASN 74 HN ASN 74 72.339 -10.487 -3.436 557 HA ASN 74 HA ASN 74 72.563 -13.393 -3.482 558 HB2 ASN 74 HB2 ASN 74 74.279 -11.189 -4.659 559 HB3 ASN 74 HB1 ASN 74 74.581 -12.908 -4.917 560 HD21 ASN 74 HD21 ASN 74 73.220 -14.036 -6.405 561 HD22 ASN 74 HD22 ASN 74 71.992 -13.274 -7.296 562 H HIS 75 HN HIS 75 75.684 -12.382 -3.582 563 HA HIS 75 HA HIS 75 76.221 -13.465 -0.894 564 HD1 HIS 75 HD1 HIS 75 78.223 -14.360 -4.868 565 HD2 HIS 75 HD2 HIS 75 76.768 -15.857 -1.257 566 HE1 HIS 75 HE1 HIS 75 77.662 -16.795 -5.278 567 HE2 HIS 75 HE2 HIS 75 76.775 -17.719 -3.088 568 HB2 HIS 75 HB2 HIS 75 78.056 -12.572 -3.138 569 HB3 HIS 75 HB1 HIS 75 78.616 -13.262 -1.615 570 H1U RCY 76 H1U RCY 76 72.436 -3.540 2.281 571 H1S RCY 76 H1S RCY 76 74.922 -6.525 0.904 572 HB1 RCY 76 HB1 RCY 76 75.614 -9.949 1.980 573 HB2 RCY 76 HB2 RCY 76 75.640 -9.325 0.331 574 HA RCY 76 HA RCY 76 78.156 -9.529 0.383 575 HN1 RCY 76 HN1 RCY 76 77.351 -12.278 0.743 576 H GLU 77 HN GLU 77 79.443 -11.737 1.479 577 HA GLU 77 HA GLU 77 79.168 -11.819 4.364 578 HB2 GLU 77 HB2 GLU 77 80.258 -13.531 2.636 579 HB3 GLU 77 HB1 GLU 77 81.719 -12.621 3.009 580 HG2 GLU 77 HG2 GLU 77 81.635 -14.419 4.589 581 HG3 GLU 77 HG1 GLU 77 81.161 -12.967 5.471 582 H LEU 78 HN LEU 78 81.071 -11.200 5.813 583 HA LEU 78 HA LEU 78 82.355 -9.452 6.714 584 HG LEU 78 HG LEU 78 85.259 -10.636 4.876 585 HB2 LEU 78 HB2 LEU 78 83.304 -9.650 3.858 586 HB3 LEU 78 HB1 LEU 78 83.992 -8.450 4.947 587 HD11 LEU 78 HD11 LEU 78 84.967 -8.949 6.902 588 HD12 LEU 78 HD12 LEU 78 85.813 -10.481 7.124 589 HD13 LEU 78 HD13 LEU 78 84.132 -10.320 7.633 590 HD21 LEU 78 HD21 LEU 78 84.296 -12.596 5.861 591 HD22 LEU 78 HD22 LEU 78 83.100 -11.994 4.714 592 HD23 LEU 78 HD23 LEU 78 82.894 -11.697 6.440 593 H HIS 79 HN HIS 79 83.198 -7.025 5.300 594 HA HIS 79 HA HIS 79 82.383 -4.864 4.950 595 HD1 HIS 79 HD1 HIS 79 78.944 -3.648 4.227 596 HD2 HIS 79 HD2 HIS 79 78.735 -7.790 3.775 597 HE1 HIS 79 HE1 HIS 79 76.518 -4.285 4.582 598 HE2 HIS 79 HE2 HIS 79 76.377 -6.804 4.309 599 HB2 HIS 79 HB2 HIS 79 81.078 -4.749 3.092 600 HB3 HIS 79 HB1 HIS 79 81.151 -6.507 3.093 601 H GLU 80 HN GLU 80 81.546 -6.578 7.358 602 HA GLU 80 HA GLU 80 78.939 -5.894 8.212 603 HB2 GLU 80 HB2 GLU 80 81.355 -6.054 10.029 604 HB3 GLU 80 HB1 GLU 80 79.678 -6.426 10.430 605 HG2 GLU 80 HG2 GLU 80 79.718 -8.301 8.811 606 HG3 GLU 80 HG1 GLU 80 81.410 -7.946 8.458 607 H LEU 81 HN LEU 81 80.719 -4.507 10.629 608 HA LEU 81 HA LEU 81 79.785 -1.805 9.848 609 HG LEU 81 HG LEU 81 78.584 -2.470 13.244 610 HB2 LEU 81 HB2 LEU 81 80.855 -2.956 12.439 611 HB3 LEU 81 HB1 LEU 81 80.491 -1.245 12.229 612 HD11 LEU 81 HD11 LEU 81 77.631 -1.849 10.488 613 HD12 LEU 81 HD12 LEU 81 78.467 -0.563 11.358 614 HD13 LEU 81 HD13 LEU 81 77.014 -1.290 12.042 615 HD21 LEU 81 HD21 LEU 81 79.231 -4.592 11.844 616 HD22 LEU 81 HD22 LEU 81 78.200 -3.870 10.608 617 HD23 LEU 81 HD23 LEU 81 77.529 -4.278 12.187 618 H ALA 82 HN ALA 82 82.476 -3.516 9.224 619 HA ALA 82 HA ALA 82 84.589 -1.742 10.050 620 HB1 ALA 82 HB1 ALA 82 84.456 -3.748 7.780 621 HB2 ALA 82 HB2 ALA 82 85.081 -4.041 9.403 622 HB3 ALA 82 HB3 ALA 82 85.930 -2.942 8.316 623 H GLN 83 HN GLN 83 84.081 -2.344 6.608 624 HA GLN 83 HA GLN 83 84.196 -0.822 4.818 625 HB2 GLN 83 HB2 GLN 83 82.589 1.128 6.433 626 HB3 GLN 83 HB1 GLN 83 82.386 0.626 4.754 627 HG2 GLN 83 HG2 GLN 83 81.751 -1.678 5.679 628 HG3 GLN 83 HG1 GLN 83 81.624 -0.891 7.253 629 HE21 GLN 83 HE21 GLN 83 79.474 -2.039 5.371 630 HE22 GLN 83 HE22 GLN 83 78.361 -0.769 5.196 631 H TYR 84 HN TYR 84 86.461 -0.397 5.164 632 HA TYR 84 HA TYR 84 87.710 1.318 6.913 633 HD1 TYR 84 HD1 TYR 84 88.990 -0.729 6.976 634 HD2 TYR 84 HD2 TYR 84 88.436 -0.475 2.724 635 HE1 TYR 84 HE1 TYR 84 89.206 -3.194 6.801 636 HE2 TYR 84 HE2 TYR 84 88.652 -2.940 2.549 637 HH TYR 84 HH TYR 84 89.262 -4.813 3.652 638 HB2 TYR 84 HB2 TYR 84 88.395 1.475 3.986 639 HB3 TYR 84 HB1 TYR 84 89.478 1.469 5.379 640 H GLY 85 HN GLY 85 86.371 3.102 7.502 641 HA2 GLY 85 HA2 GLY 85 86.313 5.517 7.294 642 HA3 GLY 85 HA1 GLY 85 86.501 5.342 5.552 643 H ILE 86 HN ILE 86 84.176 3.218 6.989 644 HA ILE 86 HA ILE 86 81.965 5.134 6.554 645 HB ILE 86 HB ILE 86 81.322 2.636 5.194 646 HG12 ILE 86 HG12 ILE 86 83.611 4.284 4.066 647 HG13 ILE 86 HG11 ILE 86 83.761 2.650 4.715 648 HG21 ILE 86 HG21 ILE 86 81.508 5.482 4.162 649 HG22 ILE 86 HG22 ILE 86 80.123 4.838 5.043 650 HG23 ILE 86 HG23 ILE 86 80.557 4.167 3.471 651 HD11 ILE 86 HD11 ILE 86 82.329 3.558 2.224 652 HD12 ILE 86 HD12 ILE 86 81.909 2.033 3.003 653 HD13 ILE 86 HD13 ILE 86 83.544 2.292 2.396 654 H1U RCY 87 H1U RCY 87 77.860 -1.461 4.550 655 H1S RCY 87 H1S RCY 87 77.758 -0.282 9.131 656 HB1 RCY 87 HB1 RCY 87 77.753 2.888 7.701 657 HB2 RCY 87 HB2 RCY 87 77.944 3.981 9.072 658 HA RCY 87 HA RCY 87 79.993 2.915 9.739 659 HN1 RCY 87 HN1 RCY 87 79.814 4.030 7.133 Start of MODEL 24 1 HA MET 1 HA MET 1 58.786 -18.314 -1.259 2 HB2 MET 1 HB2 MET 1 60.609 -16.950 -3.249 3 HB3 MET 1 HB1 MET 1 60.851 -17.153 -1.514 4 HG2 MET 1 HG2 MET 1 60.841 -19.360 -3.592 5 HG3 MET 1 HG1 MET 1 62.248 -18.755 -2.717 6 HE1 MET 1 HE1 MET 1 63.149 -19.895 -0.711 7 HE2 MET 1 HE2 MET 1 62.129 -20.101 0.712 8 HE3 MET 1 HE3 MET 1 62.204 -18.535 -0.092 9 H ASN 2 HN ASN 2 57.116 -17.224 -3.870 10 HA ASN 2 HA ASN 2 55.939 -15.245 -4.351 11 HB2 ASN 2 HB2 ASN 2 55.076 -16.002 -2.038 12 HB3 ASN 2 HB1 ASN 2 56.091 -14.719 -1.379 13 HD21 ASN 2 HD21 ASN 2 55.377 -13.420 -4.254 14 HD22 ASN 2 HD22 ASN 2 53.914 -12.634 -3.905 15 H LEU 3 HN LEU 3 56.155 -12.830 -2.560 16 HA LEU 3 HA LEU 3 58.438 -11.627 -3.920 17 HG LEU 3 HG LEU 3 58.962 -9.366 -2.657 18 HB2 LEU 3 HB2 LEU 3 56.250 -10.442 -3.401 19 HB3 LEU 3 HB1 LEU 3 56.753 -10.417 -1.712 20 HD11 LEU 3 HD11 LEU 3 56.962 -8.900 -4.884 21 HD12 LEU 3 HD12 LEU 3 58.547 -9.661 -5.011 22 HD13 LEU 3 HD13 LEU 3 58.423 -7.934 -4.678 23 HD21 LEU 3 HD21 LEU 3 56.324 -7.867 -2.553 24 HD22 LEU 3 HD22 LEU 3 57.913 -7.103 -2.509 25 HD23 LEU 3 HD23 LEU 3 57.410 -8.167 -1.196 26 H GLU 4 HN GLU 4 58.280 -10.248 -0.883 27 HA GLU 4 HA GLU 4 60.601 -11.880 0.079 28 HB2 GLU 4 HB2 GLU 4 60.120 -8.899 0.111 29 HB3 GLU 4 HB1 GLU 4 61.259 -9.652 1.226 30 HG2 GLU 4 HG2 GLU 4 61.361 -10.055 -1.773 31 HG3 GLU 4 HG1 GLU 4 62.293 -8.817 -0.929 32 HA PRO 5 HA PRO 5 58.597 -12.941 3.859 33 HB2 PRO 5 HB2 PRO 5 60.761 -11.322 5.166 34 HB3 PRO 5 HB1 PRO 5 60.164 -12.941 5.580 35 HG2 PRO 5 HG2 PRO 5 62.434 -12.562 4.204 36 HG3 PRO 5 HG1 PRO 5 61.381 -13.959 3.934 37 HD2 PRO 5 HD2 PRO 5 61.888 -11.654 2.167 38 HD3 PRO 5 HD1 PRO 5 61.186 -13.238 1.774 39 HA PRO 6 HA PRO 6 56.489 -8.934 4.412 40 HB2 PRO 6 HB2 PRO 6 54.056 -9.921 5.091 41 HB3 PRO 6 HB1 PRO 6 54.638 -9.912 3.415 42 HG2 PRO 6 HG2 PRO 6 54.519 -12.156 5.358 43 HG3 PRO 6 HG1 PRO 6 54.231 -12.156 3.611 44 HD2 PRO 6 HD2 PRO 6 56.596 -12.989 4.820 45 HD3 PRO 6 HD1 PRO 6 56.452 -12.478 3.124 46 H LYS 7 HN LYS 7 55.867 -7.734 6.282 47 HA LYS 7 HA LYS 7 55.501 -9.062 8.856 48 HB2 LYS 7 HB2 LYS 7 57.505 -7.752 9.843 49 HB3 LYS 7 HB1 LYS 7 57.862 -9.217 8.929 50 HG2 LYS 7 HG2 LYS 7 58.502 -7.980 6.997 51 HG3 LYS 7 HG1 LYS 7 57.808 -6.488 7.632 52 HD2 LYS 7 HD2 LYS 7 60.227 -6.402 7.894 53 HD3 LYS 7 HD1 LYS 7 59.485 -6.553 9.487 54 HE2 LYS 7 HE2 LYS 7 60.054 -8.845 9.662 55 HE3 LYS 7 HE1 LYS 7 60.383 -8.981 7.935 56 HZ1 LYS 7 HZ1 LYS 7 61.994 -7.621 10.007 57 HZ2 LYS 7 HZ2 LYS 7 62.196 -7.281 8.355 58 HZ3 LYS 7 HZ3 LYS 7 62.469 -8.852 8.941 59 H ALA 8 HN ALA 8 57.016 -6.107 9.335 60 HA ALA 8 HA ALA 8 54.932 -4.266 8.628 61 HB1 ALA 8 HB1 ALA 8 54.886 -5.393 11.439 62 HB2 ALA 8 HB2 ALA 8 53.565 -5.365 10.270 63 HB3 ALA 8 HB3 ALA 8 54.124 -3.862 11.005 64 H GLU 9 HN GLU 9 55.507 -2.113 9.239 65 HA GLU 9 HA GLU 9 57.701 -1.617 11.088 66 HB2 GLU 9 HB2 GLU 9 58.835 -2.479 8.976 67 HB3 GLU 9 HB1 GLU 9 58.231 -1.035 8.164 68 HG2 GLU 9 HG2 GLU 9 59.447 0.408 9.669 69 HG3 GLU 9 HG1 GLU 9 59.900 -0.957 10.691 70 H1U RCY 10 H1U RCY 10 52.489 5.474 15.761 71 H1S RCY 10 H1S RCY 10 55.480 3.888 12.296 72 HB1 RCY 10 HB1 RCY 10 57.644 4.265 11.061 73 HB2 RCY 10 HB2 RCY 10 58.773 2.926 11.266 74 HA RCY 10 HA RCY 10 55.838 2.327 11.290 75 HN1 RCY 10 HN1 RCY 10 58.152 0.738 11.240 76 H ARG 11 HN ARG 11 58.416 3.433 9.141 77 HA ARG 11 HA ARG 11 56.824 3.089 6.724 78 HE ARG 11 HE ARG 11 57.188 7.289 11.130 79 HB2 ARG 11 HB2 ARG 11 56.618 5.555 6.291 80 HB3 ARG 11 HB1 ARG 11 55.613 4.982 7.621 81 HG2 ARG 11 HG2 ARG 11 58.132 5.632 8.747 82 HG3 ARG 11 HG1 ARG 11 57.703 6.967 7.677 83 HD2 ARG 11 HD2 ARG 11 55.507 7.156 8.769 84 HD3 ARG 11 HD1 ARG 11 55.907 5.802 9.826 85 HH11 ARG 11 HH21 ARG 11 56.598 8.524 7.966 86 HH12 ARG 11 HH22 ARG 11 57.307 10.070 8.293 87 HH21 ARG 11 HH11 ARG 11 58.117 9.301 11.576 88 HH22 ARG 11 HH12 ARG 11 58.167 10.510 10.337 89 H SER 12 HN SER 12 59.570 4.588 8.364 90 HA SER 12 HA SER 12 61.308 3.842 6.130 91 HG SER 12 HG SER 12 63.059 5.618 6.071 92 HB2 SER 12 HB2 SER 12 60.726 5.895 5.151 93 HB3 SER 12 HB1 SER 12 60.582 6.705 6.708 94 H ALA 13 HN ALA 13 60.770 4.059 9.308 95 HA ALA 13 HA ALA 13 62.145 4.000 11.209 96 HB1 ALA 13 HB1 ALA 13 63.211 2.222 9.703 97 HB2 ALA 13 HB2 ALA 13 64.252 2.910 10.949 98 HB3 ALA 13 HB3 ALA 13 64.406 3.447 9.277 99 H THR 14 HN THR 14 62.263 6.389 9.014 100 HA THR 14 HA THR 14 63.541 8.261 10.742 101 HB THR 14 HB THR 14 65.670 7.377 10.269 102 HG1 THR 14 HG1 THR 14 65.319 9.658 9.638 103 HG21 THR 14 HG21 THR 14 64.515 6.875 7.537 104 HG22 THR 14 HG22 THR 14 65.279 5.734 8.643 105 HG23 THR 14 HG23 THR 14 66.262 6.912 7.773 106 H ARG 15 HN ARG 15 62.592 7.366 7.472 107 HA ARG 15 HA ARG 15 61.565 8.619 5.778 108 HE ARG 15 HE ARG 15 58.745 10.743 3.791 109 HB2 ARG 15 HB2 ARG 15 60.032 9.132 7.750 110 HB3 ARG 15 HB1 ARG 15 60.942 10.626 7.958 111 HG2 ARG 15 HG2 ARG 15 59.256 11.377 6.556 112 HG3 ARG 15 HG1 ARG 15 60.456 10.888 5.360 113 HD2 ARG 15 HD2 ARG 15 59.322 8.586 5.395 114 HD3 ARG 15 HD1 ARG 15 58.003 9.372 6.263 115 HH11 ARG 15 HH21 ARG 15 56.896 8.257 5.304 116 HH12 ARG 15 HH22 ARG 15 55.683 8.223 4.068 117 HH21 ARG 15 HH11 ARG 15 57.172 10.713 2.168 118 HH22 ARG 15 HH12 ARG 15 55.839 9.614 2.293 119 H VAL 16 HN VAL 16 62.584 11.350 7.831 120 HA VAL 16 HA VAL 16 64.939 11.931 6.261 121 HB VAL 16 HB VAL 16 63.200 12.531 4.596 122 HG11 VAL 16 HG11 VAL 16 62.325 14.802 6.342 123 HG12 VAL 16 HG12 VAL 16 61.618 13.210 6.617 124 HG13 VAL 16 HG13 VAL 16 61.452 13.989 5.043 125 HG21 VAL 16 HG21 VAL 16 65.406 13.908 5.128 126 HG22 VAL 16 HG22 VAL 16 64.251 15.154 5.600 127 HG23 VAL 16 HG23 VAL 16 64.234 14.513 3.957 128 H MET 17 HN MET 17 64.892 11.760 8.897 129 HA MET 17 HA MET 17 64.075 13.913 10.493 130 HB2 MET 17 HB2 MET 17 65.160 11.827 11.342 131 HB3 MET 17 HB1 MET 17 66.706 12.420 10.736 132 HG2 MET 17 HG2 MET 17 66.528 12.964 13.104 133 HG3 MET 17 HG1 MET 17 66.435 14.454 12.166 134 HE1 MET 17 HE1 MET 17 65.707 15.167 14.609 135 HE2 MET 17 HE2 MET 17 64.019 15.658 14.726 136 HE3 MET 17 HE3 MET 17 64.988 16.179 13.350 137 H GLY 18 HN GLY 18 67.265 13.576 8.886 138 HA2 GLY 18 HA2 GLY 18 68.539 15.297 7.860 139 HA3 GLY 18 HA1 GLY 18 67.295 16.457 8.327 140 H GLY 19 HN GLY 19 68.173 14.502 10.938 141 HA2 GLY 19 HA2 GLY 19 69.184 16.638 12.501 142 HA3 GLY 19 HA1 GLY 19 69.426 14.931 12.876 143 HA PRO 20 HA PRO 20 73.597 16.967 12.140 144 HB2 PRO 20 HB2 PRO 20 74.212 14.622 13.898 145 HB3 PRO 20 HB1 PRO 20 74.846 16.278 13.965 146 HG2 PRO 20 HG2 PRO 20 73.005 15.419 15.686 147 HG3 PRO 20 HG1 PRO 20 73.002 17.081 15.073 148 HD2 PRO 20 HD2 PRO 20 71.175 14.825 14.394 149 HD3 PRO 20 HD1 PRO 20 70.863 16.575 14.381 150 H1U RCY 21 H1U RCY 21 73.938 4.457 10.514 151 H1S RCY 21 H1S RCY 21 74.070 9.204 11.383 152 HB1 RCY 21 HB1 RCY 21 71.705 11.724 9.959 153 HB2 RCY 21 HB2 RCY 21 72.706 11.457 11.387 154 HA RCY 21 HA RCY 21 74.515 12.814 10.131 155 HN1 RCY 21 HN1 RCY 21 72.143 13.925 11.485 156 H THR 22 HN THR 22 75.006 13.473 8.100 157 HA THR 22 HA THR 22 73.359 15.126 6.497 158 HB THR 22 HB THR 22 74.932 14.630 4.677 159 HG1 THR 22 HG1 THR 22 75.147 12.424 4.954 160 HG21 THR 22 HG21 THR 22 75.670 16.153 6.457 161 HG22 THR 22 HG22 THR 22 77.030 15.202 5.859 162 HG23 THR 22 HG23 THR 22 76.268 14.783 7.394 163 HA PRO 23 HA PRO 23 70.590 11.858 5.093 164 HB2 PRO 23 HB2 PRO 23 68.894 13.400 3.639 165 HB3 PRO 23 HB1 PRO 23 68.896 13.410 5.414 166 HG2 PRO 23 HG2 PRO 23 70.093 15.369 3.521 167 HG3 PRO 23 HG1 PRO 23 69.243 15.650 5.049 168 HD2 PRO 23 HD2 PRO 23 71.998 15.683 4.787 169 HD3 PRO 23 HD1 PRO 23 71.147 15.345 6.311 170 H ARG 24 HN ARG 24 69.346 11.963 2.559 171 HA ARG 24 HA ARG 24 71.221 10.791 0.847 172 HE ARG 24 HE ARG 24 66.243 9.378 1.544 173 HB2 ARG 24 HB2 ARG 24 68.887 12.463 -0.113 174 HB3 ARG 24 HB1 ARG 24 69.625 11.083 -0.927 175 HG2 ARG 24 HG2 ARG 24 68.971 9.699 1.119 176 HG3 ARG 24 HG1 ARG 24 67.984 11.074 1.614 177 HD2 ARG 24 HD2 ARG 24 67.025 10.931 -0.818 178 HD3 ARG 24 HD1 ARG 24 67.667 9.289 -0.785 179 HH11 ARG 24 HH21 ARG 24 65.585 10.329 -1.703 180 HH12 ARG 24 HH22 ARG 24 63.884 10.022 -1.589 181 HH21 ARG 24 HH11 ARG 24 64.026 8.971 1.712 182 HH22 ARG 24 HH12 ARG 24 63.002 9.253 0.344 183 H LYS 25 HN LYS 25 69.859 13.954 -0.041 184 HA LYS 25 HA LYS 25 70.885 15.818 -1.023 185 HB2 LYS 25 HB2 LYS 25 72.417 15.110 1.246 186 HB3 LYS 25 HB1 LYS 25 73.591 15.401 -0.035 187 HG2 LYS 25 HG2 LYS 25 73.259 17.543 0.895 188 HG3 LYS 25 HG1 LYS 25 72.209 17.547 -0.522 189 HD2 LYS 25 HD2 LYS 25 70.290 16.913 0.908 190 HD3 LYS 25 HD1 LYS 25 71.343 16.949 2.323 191 HE2 LYS 25 HE2 LYS 25 71.835 19.339 1.877 192 HE3 LYS 25 HE1 LYS 25 70.733 19.295 0.500 193 HZ1 LYS 25 HZ1 LYS 25 70.104 19.746 3.169 194 HZ2 LYS 25 HZ2 LYS 25 69.447 18.232 2.766 195 HZ3 LYS 25 HZ3 LYS 25 69.034 19.608 1.860 196 H GLY 26 HN GLY 26 73.293 16.280 -2.182 197 HA2 GLY 26 HA2 GLY 26 74.825 15.543 -3.846 198 HA3 GLY 26 HA1 GLY 26 74.180 13.910 -3.678 199 HA PRO 27 HA PRO 27 71.536 16.768 -6.745 200 HB2 PRO 27 HB2 PRO 27 73.930 17.465 -8.375 201 HB3 PRO 27 HB1 PRO 27 72.537 18.470 -7.929 202 HG2 PRO 27 HG2 PRO 27 74.938 18.806 -6.814 203 HG3 PRO 27 HG1 PRO 27 73.436 19.057 -5.909 204 HD2 PRO 27 HD2 PRO 27 75.358 16.765 -5.772 205 HD3 PRO 27 HD1 PRO 27 74.376 17.494 -4.481 206 HA PRO 28 HA PRO 28 71.262 13.644 -9.861 207 HB2 PRO 28 HB2 PRO 28 72.009 15.527 -12.061 208 HB3 PRO 28 HB1 PRO 28 70.584 14.480 -11.907 209 HG2 PRO 28 HG2 PRO 28 70.422 17.104 -11.517 210 HG3 PRO 28 HG1 PRO 28 69.482 15.967 -10.535 211 HD2 PRO 28 HD2 PRO 28 71.927 17.526 -9.789 212 HD3 PRO 28 HD1 PRO 28 70.546 17.039 -8.779 213 H LYS 29 HN LYS 29 72.502 12.352 -11.486 214 HA LYS 29 HA LYS 29 74.487 11.553 -12.480 215 HB2 LYS 29 HB2 LYS 29 75.071 14.157 -12.457 216 HB3 LYS 29 HB1 LYS 29 76.168 13.661 -11.170 217 HG2 LYS 29 HG2 LYS 29 77.602 13.170 -12.868 218 HG3 LYS 29 HG1 LYS 29 76.621 11.716 -13.057 219 HD2 LYS 29 HD2 LYS 29 76.020 14.329 -14.466 220 HD3 LYS 29 HD1 LYS 29 76.960 13.025 -15.192 221 HE2 LYS 29 HE2 LYS 29 74.086 12.876 -14.239 222 HE3 LYS 29 HE1 LYS 29 74.653 12.789 -15.907 223 HZ1 LYS 29 HZ1 LYS 29 74.413 10.713 -14.025 224 HZ2 LYS 29 HZ2 LYS 29 76.050 10.874 -14.453 225 HZ3 LYS 29 HZ3 LYS 29 74.876 10.616 -15.654 226 H1U RCY 30 H1U RCY 30 77.260 4.394 -13.575 227 H1S RCY 30 H1S RCY 30 78.611 6.042 -10.118 228 HB1 RCY 30 HB1 RCY 30 77.755 8.242 -10.859 229 HB2 RCY 30 HB2 RCY 30 76.023 8.024 -10.615 230 HA RCY 30 HA RCY 30 76.216 9.806 -8.780 231 HN1 RCY 30 HN1 RCY 30 76.560 10.533 -11.660 232 H LYS 31 HN LYS 31 77.849 12.049 -10.203 233 HA LYS 31 HA LYS 31 80.017 12.969 -10.055 234 HB2 LYS 31 HB2 LYS 31 79.032 12.986 -7.668 235 HB3 LYS 31 HB1 LYS 31 80.088 11.609 -7.358 236 HG2 LYS 31 HG2 LYS 31 81.486 13.356 -6.735 237 HG3 LYS 31 HG1 LYS 31 81.926 13.185 -8.435 238 HD2 LYS 31 HD2 LYS 31 80.395 14.985 -9.051 239 HD3 LYS 31 HD1 LYS 31 79.841 15.119 -7.382 240 HE2 LYS 31 HE2 LYS 31 81.480 16.859 -7.762 241 HE3 LYS 31 HE1 LYS 31 82.210 15.644 -6.713 242 HZ1 LYS 31 HZ1 LYS 31 82.519 15.357 -9.613 243 HZ2 LYS 31 HZ2 LYS 31 83.570 14.895 -8.361 244 HZ3 LYS 31 HZ3 LYS 31 83.456 16.527 -8.819 245 H GLN 32 HN GLN 32 80.422 10.981 -11.661 246 HA GLN 32 HA GLN 32 81.936 8.743 -10.725 247 HB2 GLN 32 HB2 GLN 32 82.507 9.843 -13.444 248 HB3 GLN 32 HB1 GLN 32 82.168 8.185 -12.952 249 HG2 GLN 32 HG2 GLN 32 80.178 8.702 -14.025 250 HG3 GLN 32 HG1 GLN 32 79.780 9.197 -12.379 251 HE21 GLN 32 HE21 GLN 32 78.958 11.284 -12.221 252 HE22 GLN 32 HE22 GLN 32 79.246 12.534 -13.334 253 H ARG 33 HN ARG 33 84.182 8.435 -10.569 254 HA ARG 33 HA ARG 33 86.141 10.337 -11.426 255 HE ARG 33 HE ARG 33 83.340 11.026 -6.357 256 HB2 ARG 33 HB2 ARG 33 86.818 11.101 -9.093 257 HB3 ARG 33 HB1 ARG 33 85.339 11.821 -9.726 258 HG2 ARG 33 HG2 ARG 33 83.957 10.481 -8.364 259 HG3 ARG 33 HG1 ARG 33 85.243 9.313 -8.055 260 HD2 ARG 33 HD2 ARG 33 86.082 10.522 -6.331 261 HD3 ARG 33 HD1 ARG 33 85.914 12.045 -7.204 262 HH11 ARG 33 HH21 ARG 33 86.223 12.637 -5.370 263 HH12 ARG 33 HH22 ARG 33 85.459 13.497 -4.076 264 HH21 ARG 33 HH11 ARG 33 82.324 12.140 -4.673 265 HH22 ARG 33 HH12 ARG 33 83.251 13.215 -3.681 266 H GLN 34 HN GLN 34 86.336 7.788 -11.877 267 HA GLN 34 HA GLN 34 87.626 5.857 -11.540 268 HB2 GLN 34 HB2 GLN 34 89.283 7.521 -9.640 269 HB3 GLN 34 HB1 GLN 34 89.811 6.195 -10.677 270 HG2 GLN 34 HG2 GLN 34 89.281 7.577 -12.675 271 HG3 GLN 34 HG1 GLN 34 88.839 8.913 -11.610 272 HE21 GLN 34 HE21 GLN 34 90.518 10.352 -11.203 273 HE22 GLN 34 HE22 GLN 34 92.171 9.975 -11.289 274 H THR 35 HN THR 35 88.558 4.423 -9.651 275 HA THR 35 HA THR 35 87.098 4.822 -7.104 276 HB THR 35 HB THR 35 86.045 2.632 -7.179 277 HG1 THR 35 HG1 THR 35 86.228 1.637 -9.426 278 HG21 THR 35 HG21 THR 35 84.912 4.595 -8.289 279 HG22 THR 35 HG22 THR 35 84.403 3.021 -8.900 280 HG23 THR 35 HG23 THR 35 85.535 4.003 -9.829 281 H ARG 36 HN ARG 36 89.723 5.114 -7.158 282 HA ARG 36 HA ARG 36 91.768 4.277 -6.369 283 HE ARG 36 HE ARG 36 88.046 2.863 -4.033 284 HB2 ARG 36 HB2 ARG 36 89.905 2.295 -5.024 285 HB3 ARG 36 HB1 ARG 36 91.587 2.584 -4.578 286 HG2 ARG 36 HG2 ARG 36 91.123 4.808 -3.863 287 HG3 ARG 36 HG1 ARG 36 89.537 4.804 -4.635 288 HD2 ARG 36 HD2 ARG 36 90.257 2.885 -2.411 289 HD3 ARG 36 HD1 ARG 36 89.546 4.469 -2.099 290 HH11 ARG 36 HH21 ARG 36 88.626 3.688 -0.736 291 HH12 ARG 36 HH22 ARG 36 87.049 3.213 -0.201 292 HH21 ARG 36 HH11 ARG 36 85.983 2.238 -3.353 293 HH22 ARG 36 HH12 ARG 36 85.552 2.392 -1.683 294 H GLN 37 HN GLN 37 90.525 1.043 -6.115 295 HA GLN 37 HA GLN 37 91.166 0.138 -8.765 296 HB2 GLN 37 HB2 GLN 37 93.460 0.777 -7.609 297 HB3 GLN 37 HB1 GLN 37 93.245 -0.769 -6.790 298 HG2 GLN 37 HG2 GLN 37 93.315 -0.304 -9.786 299 HG3 GLN 37 HG1 GLN 37 94.531 -1.141 -8.820 300 HE21 GLN 37 HE21 GLN 37 91.614 -1.576 -10.597 301 HE22 GLN 37 HE22 GLN 37 91.296 -3.173 -10.117 302 H1U RCY 38 H1U RCY 38 82.345 -3.931 -6.323 303 H1S RCY 38 H1S RCY 38 86.309 -3.316 -4.879 304 HB1 RCY 38 HB1 RCY 38 88.109 -3.574 -5.587 305 HB2 RCY 38 HB2 RCY 38 88.394 -2.252 -6.719 306 HA RCY 38 HA RCY 38 90.052 -2.498 -4.216 307 HN1 RCY 38 HN1 RCY 38 90.961 -0.634 -5.316 308 H LYS 39 HN LYS 39 91.993 -3.774 -4.327 309 HA LYS 39 HA LYS 39 92.652 -5.404 -6.607 310 HB2 LYS 39 HB2 LYS 39 93.468 -6.342 -3.894 311 HB3 LYS 39 HB1 LYS 39 94.436 -6.138 -5.352 312 HG2 LYS 39 HG2 LYS 39 95.243 -4.347 -4.147 313 HG3 LYS 39 HG1 LYS 39 93.859 -3.558 -4.903 314 HD2 LYS 39 HD2 LYS 39 92.532 -4.379 -2.827 315 HD3 LYS 39 HD1 LYS 39 94.118 -4.607 -2.090 316 HE2 LYS 39 HE2 LYS 39 93.117 -2.014 -3.303 317 HE3 LYS 39 HE1 LYS 39 93.186 -2.367 -1.576 318 HZ1 LYS 39 HZ1 LYS 39 95.141 -1.203 -2.053 319 HZ2 LYS 39 HZ2 LYS 39 95.434 -2.081 -3.478 320 HZ3 LYS 39 HZ3 LYS 39 95.626 -2.826 -1.963 321 H SER 40 HN SER 40 90.661 -6.460 -7.174 322 HA SER 40 HA SER 40 88.994 -8.117 -7.019 323 HG SER 40 HG SER 40 92.134 -9.606 -7.412 324 HB2 SER 40 HB2 SER 40 91.247 -9.507 -5.539 325 HB3 SER 40 HB1 SER 40 89.845 -10.299 -6.250 326 H LYS 41 HN LYS 41 88.442 -9.991 -5.004 327 HA LYS 41 HA LYS 41 88.036 -8.349 -2.547 328 HB2 LYS 41 HB2 LYS 41 85.861 -10.009 -3.843 329 HB3 LYS 41 HB1 LYS 41 85.702 -8.954 -2.439 330 HG2 LYS 41 HG2 LYS 41 86.207 -6.994 -3.813 331 HG3 LYS 41 HG1 LYS 41 86.464 -8.024 -5.223 332 HD2 LYS 41 HD2 LYS 41 84.093 -8.833 -4.973 333 HD3 LYS 41 HD1 LYS 41 83.868 -7.620 -3.713 334 HE2 LYS 41 HE2 LYS 41 83.087 -6.587 -5.709 335 HE3 LYS 41 HE1 LYS 41 84.690 -5.905 -5.436 336 HZ1 LYS 41 HZ1 LYS 41 83.967 -6.927 -7.749 337 HZ2 LYS 41 HZ2 LYS 41 84.534 -8.351 -7.015 338 HZ3 LYS 41 HZ3 LYS 41 85.565 -7.011 -7.186 339 HA PRO 42 HA PRO 42 89.404 -12.506 -1.278 340 HB2 PRO 42 HB2 PRO 42 90.654 -11.758 1.013 341 HB3 PRO 42 HB1 PRO 42 91.393 -11.539 -0.586 342 HG2 PRO 42 HG2 PRO 42 90.076 -9.545 1.174 343 HG3 PRO 42 HG1 PRO 42 91.469 -9.360 0.099 344 HD2 PRO 42 HD2 PRO 42 88.865 -8.548 -0.504 345 HD3 PRO 42 HD1 PRO 42 90.153 -8.818 -1.698 346 HA PRO 43 HA PRO 43 86.201 -13.471 1.633 347 HB2 PRO 43 HB2 PRO 43 87.261 -15.618 2.950 348 HB3 PRO 43 HB1 PRO 43 86.699 -15.698 1.269 349 HG2 PRO 43 HG2 PRO 43 89.471 -15.439 2.319 350 HG3 PRO 43 HG1 PRO 43 88.863 -16.396 0.958 351 HD2 PRO 43 HD2 PRO 43 90.141 -13.987 0.642 352 HD3 PRO 43 HD1 PRO 43 88.934 -14.607 -0.506 353 H LYS 44 HN LYS 44 85.616 -13.373 3.904 354 HA LYS 44 HA LYS 44 85.767 -12.393 6.033 355 HB2 LYS 44 HB2 LYS 44 88.584 -13.506 5.855 356 HB3 LYS 44 HB1 LYS 44 87.743 -13.049 7.336 357 HG2 LYS 44 HG2 LYS 44 86.002 -14.745 6.860 358 HG3 LYS 44 HG1 LYS 44 86.876 -15.221 5.404 359 HD2 LYS 44 HD2 LYS 44 88.859 -15.766 6.821 360 HD3 LYS 44 HD1 LYS 44 87.895 -15.403 8.254 361 HE2 LYS 44 HE2 LYS 44 87.239 -17.521 6.184 362 HE3 LYS 44 HE1 LYS 44 87.907 -17.828 7.787 363 HZ1 LYS 44 HZ1 LYS 44 85.209 -17.060 7.013 364 HZ2 LYS 44 HZ2 LYS 44 85.813 -16.350 8.433 365 HZ3 LYS 44 HZ3 LYS 44 85.734 -18.041 8.293 366 H LYS 45 HN LYS 45 85.665 -10.175 5.729 367 HA LYS 45 HA LYS 45 87.523 -8.505 4.463 368 HB2 LYS 45 HB2 LYS 45 85.447 -8.138 6.561 369 HB3 LYS 45 HB1 LYS 45 86.665 -6.867 6.464 370 HG2 LYS 45 HG2 LYS 45 84.794 -6.305 4.997 371 HG3 LYS 45 HG1 LYS 45 86.214 -6.672 4.017 372 HD2 LYS 45 HD2 LYS 45 85.388 -8.961 3.651 373 HD3 LYS 45 HD1 LYS 45 83.975 -8.618 4.650 374 HE2 LYS 45 HE2 LYS 45 83.440 -6.720 3.052 375 HE3 LYS 45 HE1 LYS 45 84.704 -7.353 1.998 376 HZ1 LYS 45 HZ1 LYS 45 83.401 -9.010 1.332 377 HZ2 LYS 45 HZ2 LYS 45 82.108 -8.156 2.030 378 HZ3 LYS 45 HZ3 LYS 45 82.895 -9.378 2.909 379 H GLY 46 HN GLY 46 89.697 -8.753 4.868 380 HA2 GLY 46 HA2 GLY 46 90.743 -9.286 7.522 381 HA3 GLY 46 HA1 GLY 46 91.704 -8.896 6.095 382 H VAL 47 HN VAL 47 92.119 -6.677 5.613 383 HA VAL 47 HA VAL 47 91.131 -4.632 7.505 384 HB VAL 47 HB VAL 47 93.556 -3.869 7.855 385 HG11 VAL 47 HG11 VAL 47 92.783 -6.553 9.036 386 HG12 VAL 47 HG12 VAL 47 92.128 -5.008 9.577 387 HG13 VAL 47 HG13 VAL 47 93.849 -5.349 9.760 388 HG21 VAL 47 HG21 VAL 47 95.285 -5.557 7.583 389 HG22 VAL 47 HG22 VAL 47 94.462 -5.351 6.037 390 HG23 VAL 47 HG23 VAL 47 94.094 -6.745 7.053 391 H GLN 48 HN GLN 48 90.429 -4.736 4.889 392 HA GLN 48 HA GLN 48 92.205 -3.450 3.053 393 HB2 GLN 48 HB2 GLN 48 90.134 -4.650 2.372 394 HB3 GLN 48 HB1 GLN 48 89.171 -3.371 3.109 395 HG2 GLN 48 HG2 GLN 48 89.377 -2.969 0.701 396 HG3 GLN 48 HG1 GLN 48 90.245 -1.719 1.592 397 HE21 GLN 48 HE21 GLN 48 92.557 -1.642 1.393 398 HE22 GLN 48 HE22 GLN 48 93.418 -2.645 0.327 399 H GLY 49 HN GLY 49 89.331 -1.996 4.630 400 HA2 GLY 49 HA2 GLY 49 89.156 0.135 5.660 401 HA3 GLY 49 HA1 GLY 49 90.871 0.395 5.341 402 H1U RCY 50 H1U RCY 50 82.299 -1.297 4.435 403 H1S RCY 50 H1S RCY 50 85.583 1.573 4.464 404 HB1 RCY 50 HB1 RCY 50 87.262 3.510 1.599 405 HB2 RCY 50 HB2 RCY 50 87.032 3.654 3.342 406 HA RCY 50 HA RCY 50 89.493 2.704 1.863 407 HN1 RCY 50 HN1 RCY 50 89.414 2.546 4.812 408 H GLY 51 HN GLY 51 88.215 5.273 1.757 409 HA2 GLY 51 HA2 GLY 51 88.566 7.545 2.327 410 HA3 GLY 51 HA1 GLY 51 89.527 7.016 3.708 411 H ASP 52 HN ASP 52 90.190 5.815 0.488 412 HA ASP 52 HA ASP 52 92.908 6.909 0.646 413 HB2 ASP 52 HB2 ASP 52 91.636 5.418 -1.663 414 HB3 ASP 52 HB1 ASP 52 93.356 5.589 -1.314 415 H ASP 53 HN ASP 53 89.953 7.490 -1.205 416 HA ASP 53 HA ASP 53 90.828 10.178 -1.869 417 HB2 ASP 53 HB2 ASP 53 91.367 8.011 -3.741 418 HB3 ASP 53 HB1 ASP 53 90.285 9.204 -4.458 419 H ILE 54 HN ILE 54 88.519 7.817 -1.407 420 HA ILE 54 HA ILE 54 86.365 9.421 -2.717 421 HB ILE 54 HB ILE 54 86.283 6.588 -1.635 422 HG12 ILE 54 HG12 ILE 54 87.679 7.220 -3.781 423 HG13 ILE 54 HG11 ILE 54 86.605 5.820 -3.817 424 HG21 ILE 54 HG21 ILE 54 84.076 7.448 -1.549 425 HG22 ILE 54 HG22 ILE 54 84.152 6.601 -3.094 426 HG23 ILE 54 HG23 ILE 54 84.284 8.359 -3.045 427 HD11 ILE 54 HD11 ILE 54 86.443 7.500 -5.779 428 HD12 ILE 54 HD12 ILE 54 85.627 8.557 -4.627 429 HD13 ILE 54 HD13 ILE 54 84.937 6.983 -5.021 430 HA PRO 55 HA PRO 55 85.703 10.413 1.686 431 HB2 PRO 55 HB2 PRO 55 84.576 12.849 1.317 432 HB3 PRO 55 HB1 PRO 55 86.326 12.588 1.182 433 HG2 PRO 55 HG2 PRO 55 84.295 12.903 -0.962 434 HG3 PRO 55 HG1 PRO 55 85.971 13.472 -0.898 435 HD2 PRO 55 HD2 PRO 55 85.109 11.193 -2.263 436 HD3 PRO 55 HD1 PRO 55 86.787 11.518 -1.778 437 H GLY 56 HN GLY 56 83.906 8.656 0.281 438 HA2 GLY 56 HA2 GLY 56 81.708 7.868 0.514 439 HA3 GLY 56 HA1 GLY 56 81.502 9.064 1.795 440 H MET 57 HN MET 57 81.863 9.038 -1.774 441 HA MET 57 HA MET 57 80.386 11.502 -2.092 442 HB2 MET 57 HB2 MET 57 80.480 11.023 -4.472 443 HB3 MET 57 HB1 MET 57 82.035 10.600 -3.757 444 HG2 MET 57 HG2 MET 57 81.656 8.666 -4.958 445 HG3 MET 57 HG1 MET 57 80.827 8.231 -3.464 446 HE1 MET 57 HE1 MET 57 80.280 6.612 -5.592 447 HE2 MET 57 HE2 MET 57 80.358 7.626 -7.031 448 HE3 MET 57 HE3 MET 57 78.841 6.843 -6.593 449 H GLU 58 HN GLU 58 78.204 11.770 -2.100 450 HA GLU 58 HA GLU 58 76.494 9.317 -2.266 451 HB2 GLU 58 HB2 GLU 58 76.105 11.965 -0.854 452 HB3 GLU 58 HB1 GLU 58 74.786 10.821 -1.104 453 HG2 GLU 58 HG2 GLU 58 76.078 9.076 0.077 454 HG3 GLU 58 HG1 GLU 58 77.386 10.229 0.343 455 H GLY 59 HN GLY 59 74.117 10.157 -2.978 456 HA2 GLY 59 HA2 GLY 59 73.032 11.845 -4.506 457 HA3 GLY 59 HA1 GLY 59 74.517 11.791 -5.457 458 H1U RCY 60 H1U RCY 60 75.323 4.466 0.225 459 H1S RCY 60 H1S RCY 60 73.036 6.486 -3.276 460 HB1 RCY 60 HB1 RCY 60 73.681 7.385 -7.090 461 HB2 RCY 60 HB2 RCY 60 72.882 6.010 -6.326 462 HA RCY 60 HA RCY 60 71.572 8.269 -6.586 463 HN1 RCY 60 HN1 RCY 60 72.587 9.153 -4.014 464 H GLY 61 HN GLY 61 70.957 8.706 -3.585 465 HA2 GLY 61 HA2 GLY 61 70.030 6.022 -2.787 466 HA3 GLY 61 HA1 GLY 61 69.887 7.493 -1.825 467 H THR 62 HN THR 62 68.893 8.309 -4.869 468 HA THR 62 HA THR 62 66.029 7.807 -4.153 469 HB THR 62 HB THR 62 65.474 9.817 -5.304 470 HG1 THR 62 HG1 THR 62 68.120 9.662 -6.303 471 HG21 THR 62 HG21 THR 62 68.147 10.466 -4.055 472 HG22 THR 62 HG22 THR 62 66.739 10.026 -3.087 473 HG23 THR 62 HG23 THR 62 66.696 11.468 -4.102 474 H ASP 63 HN ASP 63 68.329 7.877 -6.872 475 HA ASP 63 HA ASP 63 66.444 6.841 -8.797 476 HB2 ASP 63 HB2 ASP 63 68.435 8.057 -9.520 477 HB3 ASP 63 HB1 ASP 63 69.477 6.837 -8.788 478 H ILE 64 HN ILE 64 67.323 5.347 -6.095 479 HA ILE 64 HA ILE 64 67.278 2.657 -7.388 480 HB ILE 64 HB ILE 64 68.948 3.291 -4.945 481 HG12 ILE 64 HG12 ILE 64 69.710 4.584 -6.976 482 HG13 ILE 64 HG11 ILE 64 70.895 3.420 -6.380 483 HG21 ILE 64 HG21 ILE 64 70.042 1.150 -5.594 484 HG22 ILE 64 HG22 ILE 64 68.891 0.989 -6.920 485 HG23 ILE 64 HG23 ILE 64 68.325 0.944 -5.251 486 HD11 ILE 64 HD11 ILE 64 70.892 2.373 -8.369 487 HD12 ILE 64 HD12 ILE 64 69.743 3.563 -8.981 488 HD13 ILE 64 HD13 ILE 64 69.159 2.081 -8.224 489 H THR 65 HN THR 65 65.876 4.818 -5.297 490 HA THR 65 HA THR 65 65.137 3.521 -2.982 491 HB THR 65 HB THR 65 62.994 4.792 -4.675 492 HG1 THR 65 HG1 THR 65 64.477 6.290 -4.972 493 HG21 THR 65 HG21 THR 65 62.275 5.685 -2.527 494 HG22 THR 65 HG22 THR 65 63.722 5.048 -1.744 495 HG23 THR 65 HG23 THR 65 62.503 3.942 -2.379 496 H VAL 66 HN VAL 66 63.541 3.074 -6.152 497 HA VAL 66 HA VAL 66 61.563 1.266 -5.574 498 HB VAL 66 HB VAL 66 63.497 0.652 -7.809 499 HG11 VAL 66 HG11 VAL 66 60.468 0.669 -7.715 500 HG12 VAL 66 HG12 VAL 66 61.445 -0.760 -7.375 501 HG13 VAL 66 HG13 VAL 66 61.493 -0.019 -8.975 502 HG21 VAL 66 HG21 VAL 66 63.304 3.022 -7.971 503 HG22 VAL 66 HG22 VAL 66 61.600 2.990 -7.518 504 HG23 VAL 66 HG23 VAL 66 62.104 2.389 -9.098 505 H ILE 67 HN ILE 67 64.889 0.180 -6.351 506 HA ILE 67 HA ILE 67 64.546 -1.975 -4.313 507 HB ILE 67 HB ILE 67 65.545 -2.352 -7.149 508 HG12 ILE 67 HG12 ILE 67 63.073 -2.338 -6.828 509 HG13 ILE 67 HG11 ILE 67 63.672 -3.925 -7.312 510 HG21 ILE 67 HG21 ILE 67 65.688 -4.794 -6.315 511 HG22 ILE 67 HG22 ILE 67 65.676 -4.102 -4.693 512 HG23 ILE 67 HG23 ILE 67 66.972 -3.692 -5.817 513 HD11 ILE 67 HD11 ILE 67 62.447 -4.645 -5.526 514 HD12 ILE 67 HD12 ILE 67 62.468 -3.063 -4.747 515 HD13 ILE 67 HD13 ILE 67 63.863 -4.133 -4.607 516 H1U RCY 68 H1U RCY 68 68.274 7.166 -0.504 517 H1S RCY 68 H1S RCY 68 69.169 2.420 -0.871 518 HB1 RCY 68 HB1 RCY 68 68.087 0.719 -1.370 519 HB2 RCY 68 HB2 RCY 68 67.227 1.333 -2.778 520 HA RCY 68 HA RCY 68 68.791 -0.646 -3.892 521 HN1 RCY 68 HN1 RCY 68 65.967 -0.870 -2.928 522 HA PRO 69 HA PRO 69 70.347 -4.012 -1.519 523 HB2 PRO 69 HB2 PRO 69 71.647 -1.871 0.128 524 HB3 PRO 69 HB1 PRO 69 72.336 -3.378 -0.502 525 HG2 PRO 69 HG2 PRO 69 72.620 -0.920 -1.691 526 HG3 PRO 69 HG1 PRO 69 72.777 -2.471 -2.527 527 HD2 PRO 69 HD2 PRO 69 70.764 -0.459 -2.942 528 HD3 PRO 69 HD1 PRO 69 70.893 -2.044 -3.737 529 H TRP 70 HN TRP 70 69.541 -1.277 0.727 530 HA TRP 70 HA TRP 70 68.892 -3.007 2.896 531 HD1 TRP 70 HD1 TRP 70 69.738 1.132 1.717 532 HE1 TRP 70 HE1 TRP 70 68.356 2.598 0.111 533 HE3 TRP 70 HE3 TRP 70 65.178 -1.121 2.172 534 HZ2 TRP 70 HZ2 TRP 70 65.666 2.790 -0.856 535 HZ3 TRP 70 HZ3 TRP 70 63.228 -0.279 0.901 536 HH2 TRP 70 HH2 TRP 70 63.463 1.670 -0.611 537 HB2 TRP 70 HB2 TRP 70 67.485 -1.051 3.730 538 HB3 TRP 70 HB1 TRP 70 69.184 -0.703 3.429 539 H GLU 71 HN GLU 71 67.438 -2.934 -0.040 540 HA GLU 71 HA GLU 71 64.711 -3.505 1.025 541 HB2 GLU 71 HB2 GLU 71 65.243 -1.864 -0.957 542 HB3 GLU 71 HB1 GLU 71 65.408 -3.343 -1.902 543 HG2 GLU 71 HG2 GLU 71 62.978 -2.645 -0.225 544 HG3 GLU 71 HG1 GLU 71 63.090 -2.403 -1.969 545 H ALA 72 HN ALA 72 66.609 -4.777 -1.728 546 HA ALA 72 HA ALA 72 65.461 -7.431 -1.362 547 HB1 ALA 72 HB1 ALA 72 67.770 -6.561 -3.126 548 HB2 ALA 72 HB2 ALA 72 66.072 -6.513 -3.600 549 HB3 ALA 72 HB3 ALA 72 66.852 -8.060 -3.270 550 H1U RCY 73 H1U RCY 73 68.520 -5.559 -6.166 551 H1S RCY 73 H1S RCY 73 69.894 -6.120 -2.414 552 HB1 RCY 73 HB1 RCY 73 71.760 -7.016 0.712 553 HB2 RCY 73 HB2 RCY 73 70.803 -5.722 -0.010 554 HA RCY 73 HA RCY 73 69.969 -8.623 -0.185 555 HN1 RCY 73 HN1 RCY 73 68.861 -6.275 -1.301 556 H ASN 74 HN ASN 74 68.187 -6.019 1.329 557 HA ASN 74 HA ASN 74 67.346 -5.824 3.509 558 HB2 ASN 74 HB2 ASN 74 68.310 -8.599 4.148 559 HB3 ASN 74 HB1 ASN 74 66.826 -7.791 4.653 560 HD21 ASN 74 HD21 ASN 74 67.752 -10.290 2.766 561 HD22 ASN 74 HD22 ASN 74 66.586 -10.200 1.536 562 H HIS 75 HN HIS 75 70.101 -8.046 4.033 563 HA HIS 75 HA HIS 75 71.289 -5.960 5.825 564 HD1 HIS 75 HD1 HIS 75 71.465 -5.794 8.045 565 HD2 HIS 75 HD2 HIS 75 74.087 -9.015 7.652 566 HE1 HIS 75 HE1 HIS 75 73.265 -5.470 9.797 567 HE2 HIS 75 HE2 HIS 75 74.867 -7.424 9.568 568 HB2 HIS 75 HB2 HIS 75 70.590 -8.280 6.745 569 HB3 HIS 75 HB1 HIS 75 71.989 -8.897 5.867 570 H1U RCY 76 H1U RCY 76 70.503 -1.137 6.223 571 H1S RCY 76 H1S RCY 76 73.388 -3.872 5.262 572 HB1 RCY 76 HB1 RCY 76 74.665 -3.777 3.527 573 HB2 RCY 76 HB2 RCY 76 76.310 -4.405 3.474 574 HA RCY 76 HA RCY 76 74.588 -6.125 2.889 575 HN1 RCY 76 HN1 RCY 76 73.462 -5.401 5.520 576 H GLU 77 HN GLU 77 75.845 -6.031 6.251 577 HA GLU 77 HA GLU 77 78.214 -7.475 5.790 578 HB2 GLU 77 HB2 GLU 77 76.403 -7.441 8.222 579 HB3 GLU 77 HB1 GLU 77 78.007 -8.177 8.209 580 HG2 GLU 77 HG2 GLU 77 78.960 -5.980 7.489 581 HG3 GLU 77 HG1 GLU 77 77.355 -5.267 7.656 582 H LEU 78 HN LEU 78 78.425 -9.817 6.960 583 HA LEU 78 HA LEU 78 77.881 -12.102 6.863 584 HG LEU 78 HG LEU 78 76.246 -13.777 6.801 585 HB2 LEU 78 HB2 LEU 78 75.490 -10.922 7.381 586 HB3 LEU 78 HB1 LEU 78 75.141 -11.615 5.800 587 HD11 LEU 78 HD11 LEU 78 75.450 -12.212 9.274 588 HD12 LEU 78 HD12 LEU 78 77.066 -12.791 8.866 589 HD13 LEU 78 HD13 LEU 78 75.790 -13.943 9.263 590 HD21 LEU 78 HD21 LEU 78 73.504 -12.691 7.468 591 HD22 LEU 78 HD22 LEU 78 73.975 -14.343 7.864 592 HD23 LEU 78 HD23 LEU 78 73.945 -13.814 6.182 593 H HIS 79 HN HIS 79 76.463 -13.554 4.989 594 HA HIS 79 HA HIS 79 76.894 -12.496 2.305 595 HD1 HIS 79 HD1 HIS 79 78.258 -12.440 0.281 596 HD2 HIS 79 HD2 HIS 79 79.119 -16.415 1.208 597 HE1 HIS 79 HE1 HIS 79 78.597 -13.632 -1.928 598 HE2 HIS 79 HE2 HIS 79 79.122 -16.053 -1.378 599 HB2 HIS 79 HB2 HIS 79 79.209 -13.081 2.906 600 HB3 HIS 79 HB1 HIS 79 78.694 -14.714 3.330 601 H GLU 80 HN GLU 80 74.530 -13.302 3.063 602 HA GLU 80 HA GLU 80 74.033 -15.705 1.501 603 HB2 GLU 80 HB2 GLU 80 74.758 -16.618 3.741 604 HB3 GLU 80 HB1 GLU 80 73.358 -15.813 4.452 605 HG2 GLU 80 HG2 GLU 80 71.872 -17.072 2.915 606 HG3 GLU 80 HG1 GLU 80 73.280 -17.910 2.262 607 H LEU 81 HN LEU 81 72.905 -13.126 3.599 608 HA LEU 81 HA LEU 81 70.086 -13.519 2.939 609 HG LEU 81 HG LEU 81 71.812 -13.182 5.442 610 HB2 LEU 81 HB2 LEU 81 71.475 -11.093 4.120 611 HB3 LEU 81 HB1 LEU 81 69.739 -11.402 4.124 612 HD11 LEU 81 HD11 LEU 81 71.720 -11.193 6.740 613 HD12 LEU 81 HD12 LEU 81 70.615 -12.308 7.544 614 HD13 LEU 81 HD13 LEU 81 69.979 -11.030 6.509 615 HD21 LEU 81 HD21 LEU 81 69.992 -14.573 4.956 616 HD22 LEU 81 HD22 LEU 81 68.821 -13.265 5.130 617 HD23 LEU 81 HD23 LEU 81 69.571 -13.974 6.561 618 H ALA 82 HN ALA 82 72.523 -12.716 0.991 619 HA ALA 82 HA ALA 82 71.640 -10.268 -0.242 620 HB1 ALA 82 HB1 ALA 82 73.081 -12.392 -1.801 621 HB2 ALA 82 HB2 ALA 82 73.910 -11.609 -0.456 622 HB3 ALA 82 HB3 ALA 82 73.321 -10.644 -1.810 623 H GLN 83 HN GLN 83 69.784 -12.807 0.111 624 HA GLN 83 HA GLN 83 68.017 -13.775 -1.098 625 HB2 GLN 83 HB2 GLN 83 68.269 -10.968 -2.034 626 HB3 GLN 83 HB1 GLN 83 67.346 -12.033 -3.092 627 HG2 GLN 83 HG2 GLN 83 66.820 -12.036 -0.130 628 HG3 GLN 83 HG1 GLN 83 66.103 -10.790 -1.152 629 HE21 GLN 83 HE21 GLN 83 65.162 -13.537 0.237 630 HE22 GLN 83 HE22 GLN 83 64.183 -14.209 -0.976 631 H TYR 84 HN TYR 84 69.270 -12.030 -3.903 632 HA TYR 84 HA TYR 84 69.184 -14.125 -5.718 633 HD1 TYR 84 HD1 TYR 84 68.006 -12.579 -7.104 634 HD2 TYR 84 HD2 TYR 84 70.857 -9.918 -5.303 635 HE1 TYR 84 HE1 TYR 84 66.370 -10.721 -7.259 636 HE2 TYR 84 HE2 TYR 84 69.221 -8.060 -5.459 637 HH TYR 84 HH TYR 84 67.260 -7.437 -6.680 638 HB2 TYR 84 HB2 TYR 84 71.459 -12.132 -5.681 639 HB3 TYR 84 HB1 TYR 84 70.718 -12.900 -7.085 640 H GLY 85 HN GLY 85 72.210 -13.154 -4.047 641 HA2 GLY 85 HA2 GLY 85 72.955 -15.685 -3.094 642 HA3 GLY 85 HA1 GLY 85 73.558 -15.608 -4.750 643 H ILE 86 HN ILE 86 73.868 -12.612 -4.454 644 HA ILE 86 HA ILE 86 75.909 -12.284 -2.384 645 HB ILE 86 HB ILE 86 77.222 -13.461 -4.092 646 HG12 ILE 86 HG12 ILE 86 77.900 -10.519 -4.283 647 HG13 ILE 86 HG11 ILE 86 78.133 -11.436 -2.794 648 HG21 ILE 86 HG21 ILE 86 75.709 -12.788 -5.996 649 HG22 ILE 86 HG22 ILE 86 77.429 -12.613 -6.348 650 HG23 ILE 86 HG23 ILE 86 76.460 -11.193 -5.953 651 HD11 ILE 86 HD11 ILE 86 79.427 -11.924 -5.486 652 HD12 ILE 86 HD12 ILE 86 79.472 -13.105 -4.176 653 HD13 ILE 86 HD13 ILE 86 80.222 -11.522 -3.963 654 H1U RCY 87 H1U RCY 87 72.700 -7.584 -12.844 655 H1S RCY 87 H1S RCY 87 75.596 -9.482 -9.446 656 HB1 RCY 87 HB1 RCY 87 73.205 -7.869 -6.507 657 HB2 RCY 87 HB2 RCY 87 73.241 -9.620 -6.713 658 HA RCY 87 HA RCY 87 75.004 -8.268 -4.674 659 HN1 RCY 87 HN1 RCY 87 74.296 -11.045 -5.279 Start of MODEL 25 1 HA MET 1 HA MET 1 55.906 13.297 -13.473 2 HB2 MET 1 HB2 MET 1 54.073 15.042 -13.234 3 HB3 MET 1 HB1 MET 1 55.377 15.475 -14.341 4 HG2 MET 1 HG2 MET 1 54.054 14.969 -16.258 5 HG3 MET 1 HG1 MET 1 52.841 14.132 -15.290 6 HE1 MET 1 HE1 MET 1 50.315 16.741 -15.685 7 HE2 MET 1 HE2 MET 1 50.697 15.097 -15.179 8 HE3 MET 1 HE3 MET 1 51.160 15.646 -16.787 9 H ASN 2 HN ASN 2 55.028 10.814 -13.994 10 HA ASN 2 HA ASN 2 52.567 10.650 -12.381 11 HB2 ASN 2 HB2 ASN 2 52.757 9.570 -15.206 12 HB3 ASN 2 HB1 ASN 2 51.529 9.055 -14.049 13 HD21 ASN 2 HD21 ASN 2 51.520 10.846 -16.647 14 HD22 ASN 2 HD22 ASN 2 50.594 12.186 -16.168 15 H LEU 3 HN LEU 3 54.782 9.892 -11.269 16 HA LEU 3 HA LEU 3 55.583 7.171 -11.981 17 HG LEU 3 HG LEU 3 55.625 8.156 -8.439 18 HB2 LEU 3 HB2 LEU 3 57.168 7.338 -10.197 19 HB3 LEU 3 HB1 LEU 3 57.127 8.921 -10.966 20 HD11 LEU 3 HD11 LEU 3 58.079 9.872 -8.909 21 HD12 LEU 3 HD12 LEU 3 58.023 8.336 -8.044 22 HD13 LEU 3 HD13 LEU 3 57.216 9.754 -7.375 23 HD21 LEU 3 HD21 LEU 3 55.370 10.733 -8.385 24 HD22 LEU 3 HD22 LEU 3 54.341 9.844 -9.506 25 HD23 LEU 3 HD23 LEU 3 55.779 10.677 -10.099 26 H GLU 4 HN GLU 4 54.973 5.287 -10.940 27 HA GLU 4 HA GLU 4 52.988 5.539 -8.715 28 HB2 GLU 4 HB2 GLU 4 52.835 3.948 -11.267 29 HB3 GLU 4 HB1 GLU 4 52.002 3.373 -9.824 30 HG2 GLU 4 HG2 GLU 4 50.829 5.547 -9.645 31 HG3 GLU 4 HG1 GLU 4 51.641 6.095 -11.112 32 HA PRO 5 HA PRO 5 55.320 2.778 -6.201 33 HB2 PRO 5 HB2 PRO 5 52.981 0.913 -6.467 34 HB3 PRO 5 HB1 PRO 5 53.876 1.389 -5.011 35 HG2 PRO 5 HG2 PRO 5 51.495 2.460 -5.646 36 HG3 PRO 5 HG1 PRO 5 52.758 3.374 -4.807 37 HD2 PRO 5 HD2 PRO 5 51.763 3.702 -7.564 38 HD3 PRO 5 HD1 PRO 5 52.721 4.825 -6.574 39 HA PRO 6 HA PRO 6 57.064 -0.003 -9.248 40 HB2 PRO 6 HB2 PRO 6 58.883 -1.289 -7.680 41 HB3 PRO 6 HB1 PRO 6 59.091 0.396 -8.200 42 HG2 PRO 6 HG2 PRO 6 58.131 -0.671 -5.586 43 HG3 PRO 6 HG1 PRO 6 59.222 0.686 -5.919 44 HD2 PRO 6 HD2 PRO 6 56.563 1.016 -5.310 45 HD3 PRO 6 HD1 PRO 6 57.485 2.161 -6.309 46 H LYS 7 HN LYS 7 56.525 -2.044 -9.989 47 HA LYS 7 HA LYS 7 54.635 -3.657 -8.581 48 HB2 LYS 7 HB2 LYS 7 55.168 -5.376 -10.336 49 HB3 LYS 7 HB1 LYS 7 54.797 -3.785 -11.002 50 HG2 LYS 7 HG2 LYS 7 57.219 -3.294 -11.162 51 HG3 LYS 7 HG1 LYS 7 57.578 -4.898 -10.524 52 HD2 LYS 7 HD2 LYS 7 57.729 -5.299 -12.812 53 HD3 LYS 7 HD1 LYS 7 56.039 -5.707 -12.516 54 HE2 LYS 7 HE2 LYS 7 56.274 -4.240 -14.494 55 HE3 LYS 7 HE1 LYS 7 55.361 -3.442 -13.214 56 HZ1 LYS 7 HZ1 LYS 7 57.138 -2.089 -12.673 57 HZ2 LYS 7 HZ2 LYS 7 57.242 -2.163 -14.367 58 HZ3 LYS 7 HZ3 LYS 7 58.283 -3.103 -13.408 59 H ALA 8 HN ALA 8 54.988 -5.866 -7.745 60 HA ALA 8 HA ALA 8 57.721 -6.723 -7.164 61 HB1 ALA 8 HB1 ALA 8 55.925 -5.775 -4.910 62 HB2 ALA 8 HB2 ALA 8 57.428 -5.011 -5.426 63 HB3 ALA 8 HB3 ALA 8 57.460 -6.617 -4.699 64 H GLU 9 HN GLU 9 57.466 -8.858 -7.623 65 HA GLU 9 HA GLU 9 54.909 -10.212 -7.104 66 HB2 GLU 9 HB2 GLU 9 57.551 -11.200 -8.220 67 HB3 GLU 9 HB1 GLU 9 56.105 -12.199 -8.070 68 HG2 GLU 9 HG2 GLU 9 54.871 -10.753 -9.567 69 HG3 GLU 9 HG1 GLU 9 56.195 -9.587 -9.604 70 H1U RCY 10 H1U RCY 10 51.049 -15.759 -2.133 71 H1S RCY 10 H1S RCY 10 55.697 -14.766 -3.488 72 HB1 RCY 10 HB1 RCY 10 59.433 -12.793 -3.927 73 HB2 RCY 10 HB2 RCY 10 58.178 -12.963 -5.153 74 HA RCY 10 HA RCY 10 57.143 -11.182 -3.207 75 HN1 RCY 10 HN1 RCY 10 58.105 -9.996 -5.676 76 H ARG 11 HN ARG 11 57.961 -9.334 -2.197 77 HA ARG 11 HA ARG 11 60.793 -8.600 -2.634 78 HE ARG 11 HE ARG 11 61.683 -4.106 -2.532 79 HB2 ARG 11 HB2 ARG 11 58.708 -6.998 -2.306 80 HB3 ARG 11 HB1 ARG 11 59.035 -7.268 -0.595 81 HG2 ARG 11 HG2 ARG 11 61.376 -6.539 -0.934 82 HG3 ARG 11 HG1 ARG 11 61.033 -6.250 -2.639 83 HD2 ARG 11 HD2 ARG 11 59.074 -4.758 -1.677 84 HD3 ARG 11 HD1 ARG 11 60.086 -4.727 -0.233 85 HH11 ARG 11 HH21 ARG 11 59.186 -2.891 -0.485 86 HH12 ARG 11 HH22 ARG 11 59.608 -1.230 -0.736 87 HH21 ARG 11 HH11 ARG 11 62.244 -1.944 -2.872 88 HH22 ARG 11 HH12 ARG 11 61.338 -0.694 -2.087 89 H SER 12 HN SER 12 60.479 -11.140 -1.471 90 HA SER 12 HA SER 12 61.274 -12.398 0.339 91 HG SER 12 HG SER 12 63.406 -9.635 -0.398 92 HB2 SER 12 HB2 SER 12 62.464 -9.858 1.449 93 HB3 SER 12 HB1 SER 12 63.079 -11.505 1.567 94 H ALA 13 HN ALA 13 60.383 -13.026 2.286 95 HA ALA 13 HA ALA 13 58.826 -12.995 4.046 96 HB1 ALA 13 HB1 ALA 13 59.035 -11.102 5.569 97 HB2 ALA 13 HB2 ALA 13 59.796 -10.133 4.308 98 HB3 ALA 13 HB3 ALA 13 60.636 -11.536 4.970 99 H THR 14 HN THR 14 56.933 -11.488 4.976 100 HA THR 14 HA THR 14 54.946 -11.265 3.008 101 HB THR 14 HB THR 14 55.108 -9.525 5.481 102 HG1 THR 14 HG1 THR 14 55.046 -12.197 5.234 103 HG21 THR 14 HG21 THR 14 52.731 -9.474 5.363 104 HG22 THR 14 HG22 THR 14 52.689 -10.765 4.163 105 HG23 THR 14 HG23 THR 14 53.288 -9.167 3.718 106 H ARG 15 HN ARG 15 56.815 -8.557 4.428 107 HA ARG 15 HA ARG 15 57.243 -7.255 1.927 108 HE ARG 15 HE ARG 15 52.494 -6.965 0.365 109 HB2 ARG 15 HB2 ARG 15 54.591 -6.985 2.946 110 HB3 ARG 15 HB1 ARG 15 55.376 -5.426 3.149 111 HG2 ARG 15 HG2 ARG 15 56.036 -5.433 0.776 112 HG3 ARG 15 HG1 ARG 15 55.275 -7.010 0.566 113 HD2 ARG 15 HD2 ARG 15 53.780 -4.555 1.524 114 HD3 ARG 15 HD1 ARG 15 53.852 -5.051 -0.165 115 HH11 ARG 15 HH21 ARG 15 53.320 -5.016 3.096 116 HH12 ARG 15 HH22 ARG 15 52.115 -5.718 4.122 117 HH21 ARG 15 HH11 ARG 15 50.923 -7.885 1.697 118 HH22 ARG 15 HH12 ARG 15 50.761 -7.339 3.332 119 H VAL 16 HN VAL 16 58.840 -7.773 4.114 120 HA VAL 16 HA VAL 16 60.042 -6.784 5.914 121 HB VAL 16 HB VAL 16 61.226 -4.685 4.982 122 HG11 VAL 16 HG11 VAL 16 62.523 -6.072 3.380 123 HG12 VAL 16 HG12 VAL 16 61.259 -7.300 3.445 124 HG13 VAL 16 HG13 VAL 16 62.203 -6.929 4.888 125 HG21 VAL 16 HG21 VAL 16 60.941 -4.279 2.598 126 HG22 VAL 16 HG22 VAL 16 59.374 -4.122 3.387 127 HG23 VAL 16 HG23 VAL 16 59.761 -5.583 2.480 128 H MET 17 HN MET 17 59.876 -3.537 5.135 129 HA MET 17 HA MET 17 59.036 -1.751 6.427 130 HB2 MET 17 HB2 MET 17 56.741 -3.375 5.446 131 HB3 MET 17 HB1 MET 17 56.368 -2.213 6.716 132 HG2 MET 17 HG2 MET 17 56.078 -1.135 4.556 133 HG3 MET 17 HG1 MET 17 57.482 -0.433 5.358 134 HE1 MET 17 HE1 MET 17 57.877 0.578 3.278 135 HE2 MET 17 HE2 MET 17 58.863 -0.092 1.981 136 HE3 MET 17 HE3 MET 17 59.557 0.119 3.587 137 H GLY 18 HN GLY 18 60.303 -3.460 8.106 138 HA2 GLY 18 HA2 GLY 18 58.846 -4.726 10.152 139 HA3 GLY 18 HA1 GLY 18 60.426 -3.979 10.396 140 H GLY 19 HN GLY 19 59.178 -3.607 12.573 141 HA2 GLY 19 HA2 GLY 19 57.648 -1.036 12.388 142 HA3 GLY 19 HA1 GLY 19 57.441 -2.211 13.685 143 HA PRO 20 HA PRO 20 60.522 -0.544 16.341 144 HB2 PRO 20 HB2 PRO 20 62.385 -2.804 15.720 145 HB3 PRO 20 HB1 PRO 20 61.832 -2.198 17.294 146 HG2 PRO 20 HG2 PRO 20 60.861 -4.449 16.244 147 HG3 PRO 20 HG1 PRO 20 59.847 -3.346 17.191 148 HD2 PRO 20 HD2 PRO 20 59.862 -3.821 14.247 149 HD3 PRO 20 HD1 PRO 20 58.530 -3.305 15.303 150 H1U RCY 21 H1U RCY 21 68.421 3.182 15.155 151 H1S RCY 21 H1S RCY 21 67.813 0.755 11.029 152 HB1 RCY 21 HB1 RCY 21 64.584 -2.160 12.908 153 HB2 RCY 21 HB2 RCY 21 65.158 -0.858 13.948 154 HA RCY 21 HA RCY 21 63.527 0.669 13.096 155 HN1 RCY 21 HN1 RCY 21 61.966 -1.860 13.352 156 H THR 22 HN THR 22 62.573 1.516 11.292 157 HA THR 22 HA THR 22 62.606 -0.137 8.825 158 HB THR 22 HB THR 22 60.201 1.305 9.958 159 HG1 THR 22 HG1 THR 22 60.737 -1.335 9.084 160 HG21 THR 22 HG21 THR 22 60.228 1.964 7.667 161 HG22 THR 22 HG22 THR 22 59.128 0.588 7.749 162 HG23 THR 22 HG23 THR 22 60.768 0.370 7.141 163 HA PRO 23 HA PRO 23 64.715 3.585 7.418 164 HB2 PRO 23 HB2 PRO 23 63.491 2.704 4.827 165 HB3 PRO 23 HB1 PRO 23 65.160 3.197 5.175 166 HG2 PRO 23 HG2 PRO 23 64.489 0.632 4.885 167 HG3 PRO 23 HG1 PRO 23 65.726 1.150 6.042 168 HD2 PRO 23 HD2 PRO 23 62.975 0.157 6.563 169 HD3 PRO 23 HD1 PRO 23 64.408 0.123 7.614 170 H ARG 24 HN ARG 24 63.230 4.514 4.811 171 HA ARG 24 HA ARG 24 60.677 5.520 5.739 172 HE ARG 24 HE ARG 24 58.677 7.049 5.262 173 HB2 ARG 24 HB2 ARG 24 62.405 6.911 7.021 174 HB3 ARG 24 HB1 ARG 24 62.859 7.596 5.462 175 HG2 ARG 24 HG2 ARG 24 61.227 9.067 6.485 176 HG3 ARG 24 HG1 ARG 24 60.464 8.260 5.117 177 HD2 ARG 24 HD2 ARG 24 60.228 6.864 7.733 178 HD3 ARG 24 HD1 ARG 24 59.332 8.375 7.578 179 HH11 ARG 24 HH21 ARG 24 58.745 6.230 8.610 180 HH12 ARG 24 HH22 ARG 24 57.428 5.111 8.500 181 HH21 ARG 24 HH11 ARG 24 56.956 5.593 5.098 182 HH22 ARG 24 HH12 ARG 24 56.414 4.750 6.511 183 H LYS 25 HN LYS 25 63.184 5.218 3.410 184 HA LYS 25 HA LYS 25 63.213 5.571 1.090 185 HB2 LYS 25 HB2 LYS 25 61.179 4.084 1.355 186 HB3 LYS 25 HB1 LYS 25 60.196 5.546 1.368 187 HG2 LYS 25 HG2 LYS 25 60.212 4.731 -0.895 188 HG3 LYS 25 HG1 LYS 25 61.236 6.165 -0.851 189 HD2 LYS 25 HD2 LYS 25 63.194 4.949 -1.119 190 HD3 LYS 25 HD1 LYS 25 62.523 3.497 -0.378 191 HE2 LYS 25 HE2 LYS 25 61.099 3.143 -2.369 192 HE3 LYS 25 HE1 LYS 25 61.791 4.585 -3.113 193 HZ1 LYS 25 HZ1 LYS 25 63.989 3.222 -2.430 194 HZ2 LYS 25 HZ2 LYS 25 63.251 3.135 -3.958 195 HZ3 LYS 25 HZ3 LYS 25 62.929 1.947 -2.787 196 H GLY 26 HN GLY 26 64.021 7.794 1.547 197 HA2 GLY 26 HA2 GLY 26 62.082 9.984 1.532 198 HA3 GLY 26 HA1 GLY 26 63.836 10.157 1.507 199 HA PRO 27 HA PRO 27 61.587 11.052 -2.702 200 HB2 PRO 27 HB2 PRO 27 63.393 13.409 -2.290 201 HB3 PRO 27 HB1 PRO 27 61.783 13.342 -3.033 202 HG2 PRO 27 HG2 PRO 27 62.140 14.254 -0.551 203 HG3 PRO 27 HG1 PRO 27 60.700 13.329 -1.010 204 HD2 PRO 27 HD2 PRO 27 63.004 12.491 0.674 205 HD3 PRO 27 HD1 PRO 27 61.332 11.889 0.663 206 HA PRO 28 HA PRO 28 65.027 9.023 -4.751 207 HB2 PRO 28 HB2 PRO 28 64.138 10.749 -7.036 208 HB3 PRO 28 HB1 PRO 28 64.487 9.010 -7.009 209 HG2 PRO 28 HG2 PRO 28 61.982 9.958 -7.011 210 HG3 PRO 28 HG1 PRO 28 62.432 8.473 -6.158 211 HD2 PRO 28 HD2 PRO 28 61.699 11.116 -5.035 212 HD3 PRO 28 HD1 PRO 28 61.648 9.510 -4.274 213 H LYS 29 HN LYS 29 67.179 9.608 -4.743 214 HA LYS 29 HA LYS 29 68.150 12.056 -5.889 215 HB2 LYS 29 HB2 LYS 29 67.025 12.690 -3.579 216 HB3 LYS 29 HB1 LYS 29 68.523 12.051 -2.908 217 HG2 LYS 29 HG2 LYS 29 68.877 14.400 -3.236 218 HG3 LYS 29 HG1 LYS 29 69.770 13.575 -4.513 219 HD2 LYS 29 HD2 LYS 29 68.334 14.293 -6.177 220 HD3 LYS 29 HD1 LYS 29 66.938 14.342 -5.102 221 HE2 LYS 29 HE2 LYS 29 67.964 16.595 -5.915 222 HE3 LYS 29 HE1 LYS 29 67.538 16.429 -4.212 223 HZ1 LYS 29 HZ1 LYS 29 69.742 16.136 -3.605 224 HZ2 LYS 29 HZ2 LYS 29 69.835 17.341 -4.799 225 HZ3 LYS 29 HZ3 LYS 29 70.238 15.735 -5.176 226 H1U RCY 30 H1U RCY 30 73.636 12.479 -12.663 227 H1S RCY 30 H1S RCY 30 71.800 10.456 -10.104 228 HB1 RCY 30 HB1 RCY 30 72.918 9.144 -6.060 229 HB2 RCY 30 HB2 RCY 30 71.955 10.621 -6.017 230 HA RCY 30 HA RCY 30 70.691 7.876 -5.977 231 HN1 RCY 30 HN1 RCY 30 68.857 9.346 -6.139 232 H LYS 31 HN LYS 31 72.533 10.206 -4.162 233 HA LYS 31 HA LYS 31 71.793 9.132 -1.553 234 HB2 LYS 31 HB2 LYS 31 74.357 8.415 -1.290 235 HB3 LYS 31 HB1 LYS 31 73.144 7.287 -1.892 236 HG2 LYS 31 HG2 LYS 31 75.190 7.328 -3.311 237 HG3 LYS 31 HG1 LYS 31 73.746 7.805 -4.202 238 HD2 LYS 31 HD2 LYS 31 74.348 10.088 -4.194 239 HD3 LYS 31 HD1 LYS 31 75.491 9.873 -2.869 240 HE2 LYS 31 HE2 LYS 31 76.968 8.563 -4.329 241 HE3 LYS 31 HE1 LYS 31 75.814 8.717 -5.654 242 HZ1 LYS 31 HZ1 LYS 31 77.149 10.992 -4.290 243 HZ2 LYS 31 HZ2 LYS 31 76.103 11.091 -5.626 244 HZ3 LYS 31 HZ3 LYS 31 77.621 10.345 -5.785 245 H GLN 32 HN GLN 32 73.043 11.510 -3.507 246 HA GLN 32 HA GLN 32 74.201 13.522 -3.088 247 HB2 GLN 32 HB2 GLN 32 72.730 13.095 -0.469 248 HB3 GLN 32 HB1 GLN 32 73.489 14.613 -0.950 249 HG2 GLN 32 HG2 GLN 32 72.063 14.469 -3.081 250 HG3 GLN 32 HG1 GLN 32 71.151 13.208 -2.251 251 HE21 GLN 32 HE21 GLN 32 69.790 13.834 -0.458 252 HE22 GLN 32 HE22 GLN 32 69.485 15.461 -0.081 253 H ARG 33 HN ARG 33 76.400 13.073 -3.038 254 HA ARG 33 HA ARG 33 77.643 11.673 -0.822 255 HE ARG 33 HE ARG 33 78.628 11.021 -5.123 256 HB2 ARG 33 HB2 ARG 33 79.784 12.461 -1.926 257 HB3 ARG 33 HB1 ARG 33 78.717 11.511 -2.957 258 HG2 ARG 33 HG2 ARG 33 78.101 14.380 -3.060 259 HG3 ARG 33 HG1 ARG 33 79.752 14.030 -3.568 260 HD2 ARG 33 HD2 ARG 33 77.200 12.854 -4.700 261 HD3 ARG 33 HD1 ARG 33 78.358 13.894 -5.528 262 HH11 ARG 33 HH21 ARG 33 80.228 14.046 -5.544 263 HH12 ARG 33 HH22 ARG 33 81.674 13.342 -6.185 264 HH21 ARG 33 HH11 ARG 33 80.508 10.085 -5.955 265 HH22 ARG 33 HH12 ARG 33 81.833 11.100 -6.417 266 H GLN 34 HN GLN 34 76.115 13.969 0.065 267 HA GLN 34 HA GLN 34 77.608 16.304 0.566 268 HB2 GLN 34 HB2 GLN 34 75.539 14.840 2.214 269 HB3 GLN 34 HB1 GLN 34 76.269 16.342 2.782 270 HG2 GLN 34 HG2 GLN 34 74.996 16.097 0.051 271 HG3 GLN 34 HG1 GLN 34 74.082 16.585 1.479 272 HE21 GLN 34 HE21 GLN 34 76.058 17.766 -1.042 273 HE22 GLN 34 HE22 GLN 34 76.387 19.298 -0.388 274 H THR 35 HN THR 35 77.082 14.480 3.483 275 HA THR 35 HA THR 35 79.917 14.756 4.183 276 HB THR 35 HB THR 35 78.023 13.129 5.851 277 HG1 THR 35 HG1 THR 35 76.636 14.669 5.941 278 HG21 THR 35 HG21 THR 35 79.837 15.418 6.627 279 HG22 THR 35 HG22 THR 35 80.436 13.771 6.440 280 HG23 THR 35 HG23 THR 35 79.210 14.131 7.657 281 H ARG 36 HN ARG 36 79.173 11.923 5.619 282 HA ARG 36 HA ARG 36 79.938 9.736 5.182 283 HE ARG 36 HE ARG 36 79.319 5.437 3.702 284 HB2 ARG 36 HB2 ARG 36 77.815 9.675 4.005 285 HB3 ARG 36 HB1 ARG 36 78.509 10.496 2.614 286 HG2 ARG 36 HG2 ARG 36 78.193 7.956 2.437 287 HG3 ARG 36 HG1 ARG 36 79.765 8.591 1.978 288 HD2 ARG 36 HD2 ARG 36 80.734 7.910 4.083 289 HD3 ARG 36 HD1 ARG 36 79.144 7.531 4.748 290 HH11 ARG 36 HH21 ARG 36 81.331 7.789 2.173 291 HH12 ARG 36 HH22 ARG 36 81.941 6.686 0.986 292 HH21 ARG 36 HH11 ARG 36 80.108 3.993 2.162 293 HH22 ARG 36 HH12 ARG 36 81.253 4.538 0.982 294 H GLN 37 HN GLN 37 81.697 12.077 4.450 295 HA GLN 37 HA GLN 37 83.118 11.895 2.094 296 HB2 GLN 37 HB2 GLN 37 84.563 11.972 4.748 297 HB3 GLN 37 HB1 GLN 37 85.015 12.763 3.238 298 HG2 GLN 37 HG2 GLN 37 82.646 13.438 5.003 299 HG3 GLN 37 HG1 GLN 37 84.069 14.437 4.713 300 HE21 GLN 37 HE21 GLN 37 83.999 15.839 2.925 301 HE22 GLN 37 HE22 GLN 37 82.783 15.818 1.742 302 H1U RCY 38 H1U RCY 38 85.645 -0.361 1.247 303 H1S RCY 38 H1S RCY 38 83.870 3.968 1.328 304 HB1 RCY 38 HB1 RCY 38 83.288 7.663 3.165 305 HB2 RCY 38 HB2 RCY 38 83.654 6.837 4.677 306 HA RCY 38 HA RCY 38 85.530 8.110 5.078 307 HN1 RCY 38 HN1 RCY 38 84.402 10.160 4.942 308 H LYS 39 HN LYS 39 87.115 6.741 3.929 309 HA LYS 39 HA LYS 39 89.072 6.694 2.623 310 HB2 LYS 39 HB2 LYS 39 86.782 7.040 0.705 311 HB3 LYS 39 HB1 LYS 39 88.425 6.984 0.086 312 HG2 LYS 39 HG2 LYS 39 87.118 4.857 1.818 313 HG3 LYS 39 HG1 LYS 39 87.357 4.740 0.080 314 HD2 LYS 39 HD2 LYS 39 89.431 4.667 2.272 315 HD3 LYS 39 HD1 LYS 39 89.158 3.514 0.975 316 HE2 LYS 39 HE2 LYS 39 90.390 6.267 0.760 317 HE3 LYS 39 HE1 LYS 39 91.125 4.716 0.370 318 HZ1 LYS 39 HZ1 LYS 39 89.933 6.327 -1.416 319 HZ2 LYS 39 HZ2 LYS 39 88.669 5.255 -1.042 320 HZ3 LYS 39 HZ3 LYS 39 90.150 4.658 -1.623 321 H SER 40 HN SER 40 90.253 8.489 3.306 322 HA SER 40 HA SER 40 89.901 10.975 1.668 323 HG SER 40 HG SER 40 91.520 12.549 2.847 324 HB2 SER 40 HB2 SER 40 89.387 11.242 4.114 325 HB3 SER 40 HB1 SER 40 91.045 10.767 4.470 326 H LYS 41 HN LYS 41 91.683 8.358 1.622 327 HA LYS 41 HA LYS 41 94.252 9.831 1.186 328 HB2 LYS 41 HB2 LYS 41 94.070 6.900 1.892 329 HB3 LYS 41 HB1 LYS 41 95.479 7.954 1.969 330 HG2 LYS 41 HG2 LYS 41 94.991 8.263 4.160 331 HG3 LYS 41 HG1 LYS 41 93.618 9.227 3.624 332 HD2 LYS 41 HD2 LYS 41 92.625 7.627 5.033 333 HD3 LYS 41 HD1 LYS 41 92.378 6.942 3.428 334 HE2 LYS 41 HE2 LYS 41 94.386 5.535 3.712 335 HE3 LYS 41 HE1 LYS 41 94.647 6.228 5.312 336 HZ1 LYS 41 HZ1 LYS 41 93.275 4.001 4.903 337 HZ2 LYS 41 HZ2 LYS 41 92.006 5.126 4.801 338 HZ3 LYS 41 HZ3 LYS 41 92.966 5.048 6.200 339 HA PRO 42 HA PRO 42 94.154 8.635 -3.078 340 HB2 PRO 42 HB2 PRO 42 96.926 7.591 -2.656 341 HB3 PRO 42 HB1 PRO 42 96.325 8.727 -3.878 342 HG2 PRO 42 HG2 PRO 42 97.744 9.538 -1.758 343 HG3 PRO 42 HG1 PRO 42 96.458 10.525 -2.472 344 HD2 PRO 42 HD2 PRO 42 96.466 9.036 0.101 345 HD3 PRO 42 HD1 PRO 42 95.522 10.463 -0.381 346 HA PRO 43 HA PRO 43 93.341 4.260 -3.112 347 HB2 PRO 43 HB2 PRO 43 93.611 3.667 -5.760 348 HB3 PRO 43 HB1 PRO 43 92.253 4.618 -5.126 349 HG2 PRO 43 HG2 PRO 43 94.734 5.544 -6.495 350 HG3 PRO 43 HG1 PRO 43 93.066 6.119 -6.671 351 HD2 PRO 43 HD2 PRO 43 94.952 7.424 -5.159 352 HD3 PRO 43 HD1 PRO 43 93.208 7.506 -4.827 353 H LYS 44 HN LYS 44 94.694 2.651 -2.409 354 HA LYS 44 HA LYS 44 96.931 1.733 -3.996 355 HB2 LYS 44 HB2 LYS 44 97.430 3.860 -2.122 356 HB3 LYS 44 HB1 LYS 44 98.235 2.403 -1.542 357 HG2 LYS 44 HG2 LYS 44 99.310 2.116 -3.747 358 HG3 LYS 44 HG1 LYS 44 98.507 3.576 -4.327 359 HD2 LYS 44 HD2 LYS 44 99.622 4.815 -2.406 360 HD3 LYS 44 HD1 LYS 44 100.586 3.362 -2.138 361 HE2 LYS 44 HE2 LYS 44 100.450 4.901 -4.748 362 HE3 LYS 44 HE1 LYS 44 101.770 4.997 -3.583 363 HZ1 LYS 44 HZ1 LYS 44 102.167 2.641 -3.874 364 HZ2 LYS 44 HZ2 LYS 44 102.257 3.439 -5.371 365 HZ3 LYS 44 HZ3 LYS 44 100.879 2.528 -4.972 366 H LYS 45 HN LYS 45 96.410 1.887 -0.458 367 HA LYS 45 HA LYS 45 95.777 -1.028 -0.492 368 HB2 LYS 45 HB2 LYS 45 97.971 0.357 1.053 369 HB3 LYS 45 HB1 LYS 45 97.266 -1.156 1.624 370 HG2 LYS 45 HG2 LYS 45 98.038 -2.370 -0.229 371 HG3 LYS 45 HG1 LYS 45 98.231 -0.923 -1.219 372 HD2 LYS 45 HD2 LYS 45 100.408 -1.885 -0.415 373 HD3 LYS 45 HD1 LYS 45 100.149 -0.214 0.083 374 HE2 LYS 45 HE2 LYS 45 99.258 -2.442 1.892 375 HE3 LYS 45 HE1 LYS 45 100.960 -1.983 1.853 376 HZ1 LYS 45 HZ1 LYS 45 99.775 0.405 2.003 377 HZ2 LYS 45 HZ2 LYS 45 100.312 -0.473 3.355 378 HZ3 LYS 45 HZ3 LYS 45 98.679 -0.536 2.891 379 H GLY 46 HN GLY 46 93.611 -0.553 0.064 380 HA2 GLY 46 HA2 GLY 46 92.959 1.227 2.269 381 HA3 GLY 46 HA1 GLY 46 91.831 0.148 1.445 382 H VAL 47 HN VAL 47 93.977 0.493 4.157 383 HA VAL 47 HA VAL 47 93.787 -2.322 4.954 384 HB VAL 47 HB VAL 47 94.972 -1.574 6.986 385 HG11 VAL 47 HG11 VAL 47 96.110 -0.272 4.495 386 HG12 VAL 47 HG12 VAL 47 96.216 -1.996 4.852 387 HG13 VAL 47 HG13 VAL 47 97.017 -0.827 5.902 388 HG21 VAL 47 HG21 VAL 47 95.644 0.877 7.059 389 HG22 VAL 47 HG22 VAL 47 93.939 0.564 7.383 390 HG23 VAL 47 HG23 VAL 47 94.441 1.165 5.802 391 H GLN 48 HN GLN 48 93.381 -1.781 7.792 392 HA GLN 48 HA GLN 48 90.503 -1.962 7.864 393 HB2 GLN 48 HB2 GLN 48 92.481 -2.739 9.559 394 HB3 GLN 48 HB1 GLN 48 91.951 -1.267 10.370 395 HG2 GLN 48 HG2 GLN 48 90.592 -2.995 11.278 396 HG3 GLN 48 HG1 GLN 48 89.562 -2.174 10.105 397 HE21 GLN 48 HE21 GLN 48 88.908 -4.810 10.735 398 HE22 GLN 48 HE22 GLN 48 89.290 -5.832 9.434 399 H GLY 49 HN GLY 49 89.449 -0.424 9.736 400 HA2 GLY 49 HA2 GLY 49 88.943 1.786 10.432 401 HA3 GLY 49 HA1 GLY 49 90.358 2.357 9.545 402 H1U RCY 50 H1U RCY 50 81.963 -3.023 9.313 403 H1S RCY 50 H1S RCY 50 84.063 1.371 9.709 404 HB1 RCY 50 HB1 RCY 50 85.221 3.955 6.798 405 HB2 RCY 50 HB2 RCY 50 85.612 4.317 8.478 406 HA RCY 50 HA RCY 50 87.533 3.364 6.334 407 HN1 RCY 50 HN1 RCY 50 88.477 4.010 9.057 408 H GLY 51 HN GLY 51 87.805 5.705 8.975 409 HA2 GLY 51 HA2 GLY 51 88.894 7.737 7.276 410 HA3 GLY 51 HA1 GLY 51 87.184 8.069 7.561 411 H ASP 52 HN ASP 52 86.485 8.268 9.833 412 HA ASP 52 HA ASP 52 88.556 8.555 11.887 413 HB2 ASP 52 HB2 ASP 52 86.954 10.987 11.040 414 HB3 ASP 52 HB1 ASP 52 88.183 10.921 12.305 415 H ASP 53 HN ASP 53 85.297 8.280 10.851 416 HA ASP 53 HA ASP 53 84.429 7.417 13.472 417 HB2 ASP 53 HB2 ASP 53 82.763 9.189 13.873 418 HB3 ASP 53 HB1 ASP 53 84.393 9.863 13.844 419 H ILE 54 HN ILE 54 81.711 8.778 12.354 420 HA ILE 54 HA ILE 54 81.201 6.930 10.108 421 HB ILE 54 HB ILE 54 80.768 5.540 12.094 422 HG12 ILE 54 HG12 ILE 54 78.084 6.363 10.975 423 HG13 ILE 54 HG11 ILE 54 79.277 5.533 9.975 424 HG21 ILE 54 HG21 ILE 54 80.043 7.815 13.366 425 HG22 ILE 54 HG22 ILE 54 79.528 6.218 13.905 426 HG23 ILE 54 HG23 ILE 54 78.444 7.210 12.931 427 HD11 ILE 54 HD11 ILE 54 79.311 3.634 11.461 428 HD12 ILE 54 HD12 ILE 54 77.620 3.999 11.115 429 HD13 ILE 54 HD13 ILE 54 78.330 4.485 12.655 430 HA PRO 55 HA PRO 55 78.726 10.809 9.877 431 HB2 PRO 55 HB2 PRO 55 79.924 11.937 7.753 432 HB3 PRO 55 HB1 PRO 55 80.660 12.004 9.365 433 HG2 PRO 55 HG2 PRO 55 81.383 10.329 7.027 434 HG3 PRO 55 HG1 PRO 55 82.415 11.008 8.294 435 HD2 PRO 55 HD2 PRO 55 81.413 8.345 8.179 436 HD3 PRO 55 HD1 PRO 55 82.243 9.106 9.554 437 H GLY 56 HN GLY 56 77.499 8.533 9.079 438 HA2 GLY 56 HA2 GLY 56 76.329 9.296 6.489 439 HA3 GLY 56 HA1 GLY 56 77.135 7.727 6.506 440 H MET 57 HN MET 57 76.218 7.731 9.526 441 HA MET 57 HA MET 57 74.500 6.560 10.635 442 HB2 MET 57 HB2 MET 57 72.775 8.239 8.786 443 HB3 MET 57 HB1 MET 57 72.283 7.531 10.325 444 HG2 MET 57 HG2 MET 57 73.956 8.903 11.503 445 HG3 MET 57 HG1 MET 57 74.470 9.603 9.968 446 HE1 MET 57 HE1 MET 57 72.866 10.704 8.319 447 HE2 MET 57 HE2 MET 57 73.683 11.895 9.328 448 HE3 MET 57 HE3 MET 57 71.974 12.094 8.953 449 H GLU 58 HN GLU 58 71.986 6.604 8.471 450 HA GLU 58 HA GLU 58 72.698 4.500 6.651 451 HB2 GLU 58 HB2 GLU 58 71.438 2.646 7.699 452 HB3 GLU 58 HB1 GLU 58 72.793 3.143 8.709 453 HG2 GLU 58 HG2 GLU 58 69.933 4.087 9.085 454 HG3 GLU 58 HG1 GLU 58 70.696 2.802 10.017 455 H GLY 59 HN GLY 59 71.267 6.987 6.599 456 HA2 GLY 59 HA2 GLY 59 68.409 6.325 6.432 457 HA3 GLY 59 HA1 GLY 59 69.129 7.899 6.104 458 H1U RCY 60 H1U RCY 60 70.000 -0.050 4.000 459 H1S RCY 60 H1S RCY 60 71.098 2.799 0.070 460 HB1 RCY 60 HB1 RCY 60 70.220 4.968 2.483 461 HB2 RCY 60 HB2 RCY 60 71.635 5.869 1.937 462 HA RCY 60 HA RCY 60 70.366 7.882 1.677 463 HN1 RCY 60 HN1 RCY 60 70.487 7.977 4.026 464 H GLY 61 HN GLY 61 68.356 5.023 1.873 465 HA2 GLY 61 HA2 GLY 61 65.855 5.206 1.997 466 HA3 GLY 61 HA1 GLY 61 65.999 6.681 1.044 467 H THR 62 HN THR 62 67.760 5.923 -0.950 468 HA THR 62 HA THR 62 66.031 4.131 -2.521 469 HB THR 62 HB THR 62 67.224 4.903 -4.424 470 HG1 THR 62 HG1 THR 62 69.276 5.292 -4.328 471 HG21 THR 62 HG21 THR 62 65.841 6.619 -3.153 472 HG22 THR 62 HG22 THR 62 67.058 7.282 -4.243 473 HG23 THR 62 HG23 THR 62 67.361 7.236 -2.506 474 H ASP 63 HN ASP 63 66.523 2.123 -1.370 475 HA ASP 63 HA ASP 63 69.226 1.095 -1.230 476 HB2 ASP 63 HB2 ASP 63 67.965 -1.136 -0.923 477 HB3 ASP 63 HB1 ASP 63 67.671 0.117 0.284 478 H ILE 64 HN ILE 64 67.148 1.633 -3.790 479 HA ILE 64 HA ILE 64 68.855 0.399 -5.725 480 HB ILE 64 HB ILE 64 67.981 -1.718 -5.035 481 HG12 ILE 64 HG12 ILE 64 66.068 -1.173 -7.279 482 HG13 ILE 64 HG11 ILE 64 67.788 -0.934 -7.585 483 HG21 ILE 64 HG21 ILE 64 65.304 -0.307 -5.050 484 HG22 ILE 64 HG22 ILE 64 66.121 -1.061 -3.682 485 HG23 ILE 64 HG23 ILE 64 65.456 -2.061 -4.974 486 HD11 ILE 64 HD11 ILE 64 66.926 -3.259 -8.103 487 HD12 ILE 64 HD12 ILE 64 66.654 -3.466 -6.373 488 HD13 ILE 64 HD13 ILE 64 68.288 -3.209 -6.984 489 H THR 65 HN THR 65 68.307 2.796 -6.077 490 HA THR 65 HA THR 65 65.838 3.827 -6.819 491 HB THR 65 HB THR 65 68.386 4.330 -8.387 492 HG1 THR 65 HG1 THR 65 67.606 5.913 -6.235 493 HG21 THR 65 HG21 THR 65 66.354 5.329 -9.339 494 HG22 THR 65 HG22 THR 65 67.395 6.582 -8.662 495 HG23 THR 65 HG23 THR 65 65.965 6.050 -7.777 496 H VAL 66 HN VAL 66 67.738 1.440 -8.449 497 HA VAL 66 HA VAL 66 65.529 0.855 -10.273 498 HB VAL 66 HB VAL 66 67.561 0.910 -12.139 499 HG11 VAL 66 HG11 VAL 66 65.693 3.220 -11.529 500 HG12 VAL 66 HG12 VAL 66 65.211 1.748 -12.371 501 HG13 VAL 66 HG13 VAL 66 66.408 2.824 -13.091 502 HG21 VAL 66 HG21 VAL 66 67.818 3.490 -10.580 503 HG22 VAL 66 HG22 VAL 66 68.811 2.931 -11.926 504 HG23 VAL 66 HG23 VAL 66 68.930 2.140 -10.354 505 H ILE 67 HN ILE 67 69.037 0.248 -10.452 506 HA ILE 67 HA ILE 67 68.542 -2.583 -9.661 507 HB ILE 67 HB ILE 67 70.042 -1.610 -12.109 508 HG12 ILE 67 HG12 ILE 67 67.860 -3.696 -11.873 509 HG13 ILE 67 HG11 ILE 67 67.512 -1.991 -12.160 510 HG21 ILE 67 HG21 ILE 67 71.455 -3.296 -11.236 511 HG22 ILE 67 HG22 ILE 67 70.431 -4.157 -12.384 512 HG23 ILE 67 HG23 ILE 67 70.094 -4.257 -10.655 513 HD11 ILE 67 HD11 ILE 67 67.617 -3.189 -14.295 514 HD12 ILE 67 HD12 ILE 67 69.234 -3.775 -13.904 515 HD13 ILE 67 HD13 ILE 67 68.962 -2.054 -14.175 516 H1U RCY 68 H1U RCY 68 71.949 4.039 -9.293 517 H1S RCY 68 H1S RCY 68 71.228 2.297 -6.341 518 HB1 RCY 68 HB1 RCY 68 71.849 -2.603 -5.255 519 HB2 RCY 68 HB2 RCY 68 70.205 -2.104 -5.645 520 HA RCY 68 HA RCY 68 72.068 -0.776 -7.407 521 HN1 RCY 68 HN1 RCY 68 69.553 -2.141 -7.632 522 HA PRO 69 HA PRO 69 74.991 -3.655 -9.106 523 HB2 PRO 69 HB2 PRO 69 76.459 -3.083 -6.554 524 HB3 PRO 69 HB1 PRO 69 77.061 -3.082 -8.223 525 HG2 PRO 69 HG2 PRO 69 76.480 -0.817 -6.889 526 HG3 PRO 69 HG1 PRO 69 76.293 -0.974 -8.642 527 HD2 PRO 69 HD2 PRO 69 74.204 -0.750 -6.573 528 HD3 PRO 69 HD1 PRO 69 74.079 -0.508 -8.330 529 H TRP 70 HN TRP 70 73.563 -4.019 -5.955 530 HA TRP 70 HA TRP 70 74.732 -6.486 -5.153 531 HD1 TRP 70 HD1 TRP 70 74.750 -7.634 -3.102 532 HE1 TRP 70 HE1 TRP 70 73.684 -9.667 -1.927 533 HE3 TRP 70 HE3 TRP 70 69.814 -6.686 -4.007 534 HZ2 TRP 70 HZ2 TRP 70 71.081 -10.748 -1.437 535 HZ3 TRP 70 HZ3 TRP 70 68.064 -8.232 -3.177 536 HH2 TRP 70 HH2 TRP 70 68.690 -10.260 -1.894 537 HB2 TRP 70 HB2 TRP 70 73.296 -5.110 -3.673 538 HB3 TRP 70 HB1 TRP 70 71.897 -5.522 -4.665 539 H GLU 71 HN GLU 71 73.173 -5.916 -7.980 540 HA GLU 71 HA GLU 71 72.282 -8.766 -8.182 541 HB2 GLU 71 HB2 GLU 71 70.902 -6.306 -9.295 542 HB3 GLU 71 HB1 GLU 71 70.477 -7.962 -9.730 543 HG2 GLU 71 HG2 GLU 71 69.862 -8.480 -7.458 544 HG3 GLU 71 HG1 GLU 71 70.504 -6.943 -6.878 545 H ALA 72 HN ALA 72 73.191 -5.848 -10.040 546 HA ALA 72 HA ALA 72 73.784 -7.266 -12.462 547 HB1 ALA 72 HB1 ALA 72 75.012 -5.213 -13.103 548 HB2 ALA 72 HB2 ALA 72 74.884 -4.629 -11.444 549 HB3 ALA 72 HB3 ALA 72 73.431 -4.831 -12.422 550 H1U RCY 73 H1U RCY 73 85.125 -8.082 -14.139 551 H1S RCY 73 H1S RCY 73 81.421 -7.535 -12.626 552 HB1 RCY 73 HB1 RCY 73 78.819 -5.639 -9.126 553 HB2 RCY 73 HB2 RCY 73 78.451 -4.912 -10.690 554 HA RCY 73 HA RCY 73 78.286 -7.498 -11.399 555 HN1 RCY 73 HN1 RCY 73 76.274 -5.569 -10.561 556 H ASN 74 HN ASN 74 76.216 -8.836 -10.038 557 HA ASN 74 HA ASN 74 77.032 -9.284 -7.262 558 HB2 ASN 74 HB2 ASN 74 74.652 -9.481 -8.083 559 HB3 ASN 74 HB1 ASN 74 75.137 -10.937 -8.953 560 HD21 ASN 74 HD21 ASN 74 74.850 -9.549 -5.670 561 HD22 ASN 74 HD22 ASN 74 74.822 -11.043 -4.867 562 H HIS 75 HN HIS 75 78.651 -10.009 -9.907 563 HA HIS 75 HA HIS 75 79.087 -12.885 -9.514 564 HD1 HIS 75 HD1 HIS 75 79.162 -14.455 -11.325 565 HD2 HIS 75 HD2 HIS 75 78.382 -10.915 -13.390 566 HE1 HIS 75 HE1 HIS 75 77.475 -15.032 -13.127 567 HE2 HIS 75 HE2 HIS 75 76.994 -12.885 -14.389 568 HB2 HIS 75 HB2 HIS 75 80.214 -10.773 -11.338 569 HB3 HIS 75 HB1 HIS 75 81.053 -12.314 -11.168 570 H1U RCY 76 H1U RCY 76 78.511 -7.892 0.169 571 H1S RCY 76 H1S RCY 76 78.981 -7.090 -5.290 572 HB1 RCY 76 HB1 RCY 76 83.096 -8.828 -8.152 573 HB2 RCY 76 HB2 RCY 76 83.335 -8.901 -6.406 574 HA RCY 76 HA RCY 76 82.979 -11.149 -7.514 575 HN1 RCY 76 HN1 RCY 76 80.473 -9.896 -8.391 576 H GLU 77 HN GLU 77 79.986 -11.616 -6.456 577 HA GLU 77 HA GLU 77 80.116 -11.015 -3.649 578 HB2 GLU 77 HB2 GLU 77 78.041 -11.606 -5.010 579 HB3 GLU 77 HB1 GLU 77 78.559 -13.288 -4.903 580 HG2 GLU 77 HG2 GLU 77 78.529 -13.158 -2.448 581 HG3 GLU 77 HG1 GLU 77 78.058 -11.461 -2.534 582 H LEU 78 HN LEU 78 79.425 -14.296 -3.849 583 HA LEU 78 HA LEU 78 80.506 -16.149 -2.906 584 HG LEU 78 HG LEU 78 80.566 -16.486 -5.275 585 HB2 LEU 78 HB2 LEU 78 82.560 -14.844 -4.659 586 HB3 LEU 78 HB1 LEU 78 83.060 -16.185 -3.628 587 HD11 LEU 78 HD11 LEU 78 82.073 -15.711 -6.959 588 HD12 LEU 78 HD12 LEU 78 82.070 -17.470 -7.081 589 HD13 LEU 78 HD13 LEU 78 83.411 -16.643 -6.288 590 HD21 LEU 78 HD21 LEU 78 81.479 -18.155 -3.525 591 HD22 LEU 78 HD22 LEU 78 82.753 -18.492 -4.696 592 HD23 LEU 78 HD23 LEU 78 81.068 -18.802 -5.113 593 H HIS 79 HN HIS 79 83.579 -14.567 -2.700 594 HA HIS 79 HA HIS 79 83.412 -13.237 -0.225 595 HD1 HIS 79 HD1 HIS 79 85.224 -16.342 -1.603 596 HD2 HIS 79 HD2 HIS 79 82.091 -17.812 0.727 597 HE1 HIS 79 HE1 HIS 79 84.806 -18.719 -2.378 598 HE2 HIS 79 HE2 HIS 79 82.902 -19.622 -0.967 599 HB2 HIS 79 HB2 HIS 79 84.482 -15.206 1.168 600 HB3 HIS 79 HB1 HIS 79 82.732 -15.111 0.992 601 H GLU 80 HN GLU 80 84.917 -12.741 -2.420 602 HA GLU 80 HA GLU 80 87.594 -13.874 -2.195 603 HB2 GLU 80 HB2 GLU 80 86.213 -11.908 -3.926 604 HB3 GLU 80 HB1 GLU 80 87.921 -11.566 -3.654 605 HG2 GLU 80 HG2 GLU 80 86.974 -14.324 -4.441 606 HG3 GLU 80 HG1 GLU 80 87.331 -13.091 -5.650 607 H LEU 81 HN LEU 81 87.025 -10.385 -2.234 608 HA LEU 81 HA LEU 81 89.104 -9.891 -0.320 609 HG LEU 81 HG LEU 81 86.145 -7.763 0.141 610 HB2 LEU 81 HB2 LEU 81 88.505 -7.594 -0.493 611 HB3 LEU 81 HB1 LEU 81 88.152 -8.274 -2.079 612 HD11 LEU 81 HD11 LEU 81 86.710 -5.707 -0.945 613 HD12 LEU 81 HD12 LEU 81 85.186 -6.237 -1.657 614 HD13 LEU 81 HD13 LEU 81 86.697 -6.468 -2.536 615 HD21 LEU 81 HD21 LEU 81 85.924 -9.117 -2.556 616 HD22 LEU 81 HD22 LEU 81 84.523 -8.407 -1.755 617 HD23 LEU 81 HD23 LEU 81 85.402 -9.728 -0.986 618 H ALA 82 HN ALA 82 86.347 -11.445 0.255 619 HA ALA 82 HA ALA 82 85.230 -10.077 2.522 620 HB1 ALA 82 HB1 ALA 82 83.819 -11.688 1.547 621 HB2 ALA 82 HB2 ALA 82 84.355 -12.473 3.033 622 HB3 ALA 82 HB3 ALA 82 85.094 -12.905 1.489 623 H GLN 83 HN GLN 83 88.212 -10.468 2.555 624 HA GLN 83 HA GLN 83 89.149 -12.398 4.325 625 HB2 GLN 83 HB2 GLN 83 89.863 -9.447 4.296 626 HB3 GLN 83 HB1 GLN 83 90.820 -10.709 5.069 627 HG2 GLN 83 HG2 GLN 83 90.084 -10.994 2.166 628 HG3 GLN 83 HG1 GLN 83 91.418 -9.934 2.621 629 HE21 GLN 83 HE21 GLN 83 92.938 -11.108 4.391 630 HE22 GLN 83 HE22 GLN 83 93.358 -12.706 4.002 631 H TYR 84 HN TYR 84 87.158 -9.597 5.015 632 HA TYR 84 HA TYR 84 86.121 -10.641 7.444 633 HD1 TYR 84 HD1 TYR 84 87.933 -7.293 6.468 634 HD2 TYR 84 HD2 TYR 84 90.287 -10.345 8.369 635 HE1 TYR 84 HE1 TYR 84 89.971 -6.412 5.363 636 HE2 TYR 84 HE2 TYR 84 92.323 -9.462 7.263 637 HH TYR 84 HH TYR 84 92.506 -6.466 5.869 638 HB2 TYR 84 HB2 TYR 84 87.329 -8.656 8.825 639 HB3 TYR 84 HB1 TYR 84 87.990 -10.289 8.743 640 H GLY 85 HN GLY 85 86.306 -8.452 4.974 641 HA2 GLY 85 HA2 GLY 85 84.782 -6.271 6.201 642 HA3 GLY 85 HA1 GLY 85 85.190 -6.417 4.494 643 H ILE 86 HN ILE 86 83.378 -8.538 6.738 644 HA ILE 86 HA ILE 86 81.285 -8.808 4.644 645 HB ILE 86 HB ILE 86 82.158 -10.882 5.629 646 HG12 ILE 86 HG12 ILE 86 79.368 -10.375 6.703 647 HG13 ILE 86 HG11 ILE 86 79.707 -10.617 4.989 648 HG21 ILE 86 HG21 ILE 86 81.096 -9.770 8.245 649 HG22 ILE 86 HG22 ILE 86 82.803 -9.907 7.818 650 HG23 ILE 86 HG23 ILE 86 81.821 -11.360 8.014 651 HD11 ILE 86 HD11 ILE 86 80.593 -12.822 5.398 652 HD12 ILE 86 HD12 ILE 86 79.032 -12.716 6.212 653 HD13 ILE 86 HD13 ILE 86 80.522 -12.582 7.145 654 H1U RCY 87 H1U RCY 87 76.679 -2.222 -1.088 655 H1S RCY 87 H1S RCY 87 76.310 -6.049 2.521 656 HB1 RCY 87 HB1 RCY 87 76.670 -5.757 6.000 657 HB2 RCY 87 HB2 RCY 87 76.452 -7.468 5.639 658 HA RCY 87 HA RCY 87 78.753 -6.097 7.000 659 HN1 RCY 87 HN1 RCY 87 79.109 -8.247 5.074 Start of MODEL 26 1 HA MET 1 HA MET 1 52.859 -6.746 -5.761 2 HB2 MET 1 HB2 MET 1 50.896 -7.554 -6.943 3 HB3 MET 1 HB1 MET 1 52.125 -8.819 -6.976 4 HG2 MET 1 HG2 MET 1 50.989 -9.731 -4.850 5 HG3 MET 1 HG1 MET 1 49.642 -8.671 -5.264 6 HE1 MET 1 HE1 MET 1 50.901 -12.301 -5.733 7 HE2 MET 1 HE2 MET 1 52.115 -11.191 -6.364 8 HE3 MET 1 HE3 MET 1 51.287 -12.296 -7.458 9 H ASN 2 HN ASN 2 51.785 -8.126 -2.853 10 HA ASN 2 HA ASN 2 50.507 -5.690 -2.009 11 HB2 ASN 2 HB2 ASN 2 48.797 -6.973 -3.577 12 HB3 ASN 2 HB1 ASN 2 48.535 -7.953 -2.135 13 HD21 ASN 2 HD21 ASN 2 46.511 -6.183 -3.222 14 HD22 ASN 2 HD22 ASN 2 46.232 -4.958 -2.081 15 H LEU 3 HN LEU 3 48.880 -6.685 0.030 16 HA LEU 3 HA LEU 3 50.805 -7.486 1.984 17 HG LEU 3 HG LEU 3 49.966 -5.965 3.452 18 HB2 LEU 3 HB2 LEU 3 47.790 -7.423 1.924 19 HB3 LEU 3 HB1 LEU 3 48.640 -8.114 3.306 20 HD11 LEU 3 HD11 LEU 3 48.813 -3.994 2.313 21 HD12 LEU 3 HD12 LEU 3 47.947 -5.181 1.337 22 HD13 LEU 3 HD13 LEU 3 49.705 -5.076 1.244 23 HD21 LEU 3 HD21 LEU 3 46.946 -5.851 3.727 24 HD22 LEU 3 HD22 LEU 3 48.046 -4.660 4.421 25 HD23 LEU 3 HD23 LEU 3 48.102 -6.336 4.967 26 H GLU 4 HN GLU 4 49.859 -9.280 -0.545 27 HA GLU 4 HA GLU 4 48.970 -11.760 0.360 28 HB2 GLU 4 HB2 GLU 4 49.520 -11.072 -2.033 29 HB3 GLU 4 HB1 GLU 4 51.202 -11.445 -1.659 30 HG2 GLU 4 HG2 GLU 4 48.971 -13.435 -1.206 31 HG3 GLU 4 HG1 GLU 4 49.847 -13.333 -2.734 32 HA PRO 5 HA PRO 5 51.918 -12.945 3.523 33 HB2 PRO 5 HB2 PRO 5 51.416 -15.625 2.260 34 HB3 PRO 5 HB1 PRO 5 51.467 -15.186 3.979 35 HG2 PRO 5 HG2 PRO 5 49.156 -15.521 2.678 36 HG3 PRO 5 HG1 PRO 5 49.346 -14.306 3.952 37 HD2 PRO 5 HD2 PRO 5 49.049 -13.912 1.033 38 HD3 PRO 5 HD1 PRO 5 48.747 -12.770 2.360 39 HA PRO 6 HA PRO 6 55.730 -13.302 1.258 40 HB2 PRO 6 HB2 PRO 6 57.394 -14.263 3.186 41 HB3 PRO 6 HB1 PRO 6 56.753 -12.608 3.217 42 HG2 PRO 6 HG2 PRO 6 55.845 -15.006 4.732 43 HG3 PRO 6 HG1 PRO 6 56.016 -13.327 5.271 44 HD2 PRO 6 HD2 PRO 6 53.605 -14.443 4.568 45 HD3 PRO 6 HD1 PRO 6 53.955 -12.706 4.427 46 H LYS 7 HN LYS 7 57.157 -14.856 0.269 47 HA LYS 7 HA LYS 7 57.229 -17.633 0.971 48 HB2 LYS 7 HB2 LYS 7 55.947 -18.471 -1.052 49 HB3 LYS 7 HB1 LYS 7 54.947 -17.767 0.218 50 HG2 LYS 7 HG2 LYS 7 54.670 -15.729 -0.986 51 HG3 LYS 7 HG1 LYS 7 55.959 -16.138 -2.118 52 HD2 LYS 7 HD2 LYS 7 54.585 -18.066 -2.918 53 HD3 LYS 7 HD1 LYS 7 53.276 -17.528 -1.866 54 HE2 LYS 7 HE2 LYS 7 52.998 -15.497 -3.077 55 HE3 LYS 7 HE1 LYS 7 54.531 -15.704 -3.923 56 HZ1 LYS 7 HZ1 LYS 7 53.557 -16.938 -5.467 57 HZ2 LYS 7 HZ2 LYS 7 52.058 -16.494 -4.802 58 HZ3 LYS 7 HZ3 LYS 7 52.812 -17.937 -4.316 59 H ALA 8 HN ALA 8 58.121 -14.962 -0.852 60 HA ALA 8 HA ALA 8 59.415 -16.249 -3.084 61 HB1 ALA 8 HB1 ALA 8 60.048 -13.594 -1.757 62 HB2 ALA 8 HB2 ALA 8 58.882 -13.831 -3.058 63 HB3 ALA 8 HB3 ALA 8 60.598 -14.106 -3.352 64 H GLU 9 HN GLU 9 61.313 -17.359 -3.105 65 HA GLU 9 HA GLU 9 62.724 -17.948 -0.679 66 HB2 GLU 9 HB2 GLU 9 64.327 -19.115 -2.110 67 HB3 GLU 9 HB1 GLU 9 62.688 -19.458 -2.660 68 HG2 GLU 9 HG2 GLU 9 64.464 -17.300 -3.838 69 HG3 GLU 9 HG1 GLU 9 64.255 -18.906 -4.537 70 H1U RCY 10 H1U RCY 10 62.941 -15.277 6.152 71 H1S RCY 10 H1S RCY 10 64.127 -15.141 2.309 72 HB1 RCY 10 HB1 RCY 10 65.550 -12.982 -0.290 73 HB2 RCY 10 HB2 RCY 10 65.512 -14.724 -0.019 74 HA RCY 10 HA RCY 10 64.009 -13.188 -2.159 75 HN1 RCY 10 HN1 RCY 10 62.594 -15.062 -2.094 76 H ARG 11 HN ARG 11 64.637 -14.315 -4.334 77 HA ARG 11 HA ARG 11 67.293 -15.533 -4.405 78 HE ARG 11 HE ARG 11 67.710 -17.738 -9.487 79 HB2 ARG 11 HB2 ARG 11 65.396 -16.011 -6.045 80 HB3 ARG 11 HB1 ARG 11 65.732 -14.431 -6.752 81 HG2 ARG 11 HG2 ARG 11 68.164 -15.206 -6.958 82 HG3 ARG 11 HG1 ARG 11 67.569 -16.827 -6.600 83 HD2 ARG 11 HD2 ARG 11 65.932 -16.547 -8.509 84 HD3 ARG 11 HD1 ARG 11 66.779 -15.058 -8.929 85 HH11 ARG 11 HH21 ARG 11 68.649 -14.545 -8.587 86 HH12 ARG 11 HH22 ARG 11 70.233 -14.673 -9.276 87 HH21 ARG 11 HH11 ARG 11 69.772 -17.924 -10.393 88 HH22 ARG 11 HH12 ARG 11 70.869 -16.586 -10.299 89 H SER 12 HN SER 12 66.171 -12.729 -6.305 90 HA SER 12 HA SER 12 68.192 -10.966 -5.164 91 HG SER 12 HG SER 12 69.405 -9.887 -7.830 92 HB2 SER 12 HB2 SER 12 69.540 -12.440 -6.691 93 HB3 SER 12 HB1 SER 12 68.556 -11.869 -8.036 94 H ALA 13 HN ALA 13 65.499 -11.640 -7.163 95 HA ALA 13 HA ALA 13 65.266 -9.223 -8.645 96 HB1 ALA 13 HB1 ALA 13 63.828 -11.312 -8.867 97 HB2 ALA 13 HB2 ALA 13 62.948 -9.784 -8.911 98 HB3 ALA 13 HB3 ALA 13 62.951 -10.758 -7.440 99 H THR 14 HN THR 14 63.798 -7.385 -8.163 100 HA THR 14 HA THR 14 64.298 -6.309 -5.528 101 HB THR 14 HB THR 14 62.991 -4.391 -6.285 102 HG1 THR 14 HG1 THR 14 62.208 -4.848 -8.628 103 HG21 THR 14 HG21 THR 14 64.726 -5.636 -8.431 104 HG22 THR 14 HG22 THR 14 65.227 -4.494 -7.184 105 HG23 THR 14 HG23 THR 14 64.156 -3.968 -8.483 106 H ARG 15 HN ARG 15 61.477 -5.095 -5.501 107 HA ARG 15 HA ARG 15 59.764 -7.372 -4.833 108 HE ARG 15 HE ARG 15 57.016 -8.407 -2.175 109 HB2 ARG 15 HB2 ARG 15 61.395 -6.816 -2.829 110 HB3 ARG 15 HB1 ARG 15 60.294 -5.467 -2.561 111 HG2 ARG 15 HG2 ARG 15 59.098 -8.175 -2.989 112 HG3 ARG 15 HG1 ARG 15 59.861 -7.849 -1.432 113 HD2 ARG 15 HD2 ARG 15 58.354 -6.146 -0.899 114 HD3 ARG 15 HD1 ARG 15 57.939 -5.848 -2.587 115 HH11 ARG 15 HH21 ARG 15 56.711 -5.397 -0.523 116 HH12 ARG 15 HH22 ARG 15 55.131 -5.745 0.096 117 HH21 ARG 15 HH11 ARG 15 54.955 -8.879 -1.377 118 HH22 ARG 15 HH12 ARG 15 54.137 -7.716 -0.387 119 H VAL 16 HN VAL 16 60.003 -3.943 -3.809 120 HA VAL 16 HA VAL 16 57.837 -3.155 -5.585 121 HB VAL 16 HB VAL 16 56.524 -4.293 -3.844 122 HG11 VAL 16 HG11 VAL 16 56.843 -3.990 -1.590 123 HG12 VAL 16 HG12 VAL 16 57.320 -2.303 -1.778 124 HG13 VAL 16 HG13 VAL 16 58.475 -3.590 -2.124 125 HG21 VAL 16 HG21 VAL 16 56.249 -1.329 -3.346 126 HG22 VAL 16 HG22 VAL 16 54.977 -2.545 -3.460 127 HG23 VAL 16 HG23 VAL 16 55.838 -2.031 -4.911 128 H MET 17 HN MET 17 59.690 -1.702 -6.050 129 HA MET 17 HA MET 17 60.918 0.289 -5.762 130 HB2 MET 17 HB2 MET 17 58.205 0.929 -4.588 131 HB3 MET 17 HB1 MET 17 59.463 2.151 -4.774 132 HG2 MET 17 HG2 MET 17 58.499 0.413 -7.057 133 HG3 MET 17 HG1 MET 17 57.827 2.005 -6.707 134 HE1 MET 17 HE1 MET 17 60.650 3.821 -5.889 135 HE2 MET 17 HE2 MET 17 58.962 3.948 -6.378 136 HE3 MET 17 HE3 MET 17 60.230 4.547 -7.446 137 H GLY 18 HN GLY 18 59.133 1.007 -2.847 138 HA2 GLY 18 HA2 GLY 18 60.554 -0.178 -0.808 139 HA3 GLY 18 HA1 GLY 18 61.618 1.132 -1.320 140 H GLY 19 HN GLY 19 58.088 0.778 -0.786 141 HA2 GLY 19 HA2 GLY 19 57.487 3.412 -0.136 142 HA3 GLY 19 HA1 GLY 19 56.665 2.039 0.606 143 HA PRO 20 HA PRO 20 58.462 2.381 4.612 144 HB2 PRO 20 HB2 PRO 20 60.542 0.315 3.988 145 HB3 PRO 20 HB1 PRO 20 59.435 0.418 5.372 146 HG2 PRO 20 HG2 PRO 20 59.002 -1.280 3.368 147 HG3 PRO 20 HG1 PRO 20 57.667 -0.458 4.192 148 HD2 PRO 20 HD2 PRO 20 58.774 0.026 1.470 149 HD3 PRO 20 HD1 PRO 20 57.132 0.306 2.087 150 H1U RCY 21 H1U RCY 21 57.436 2.904 4.048 151 H1S RCY 21 H1S RCY 21 61.523 0.810 3.266 152 HB1 RCY 21 HB1 RCY 21 64.171 3.781 2.095 153 HB2 RCY 21 HB2 RCY 21 63.107 2.708 1.186 154 HA RCY 21 HA RCY 21 62.280 4.538 3.460 155 HN1 RCY 21 HN1 RCY 21 60.405 2.864 1.854 156 H THR 22 HN THR 22 61.319 6.464 2.752 157 HA THR 22 HA THR 22 60.362 7.070 0.185 158 HB THR 22 HB THR 22 61.873 9.027 1.928 159 HG1 THR 22 HG1 THR 22 60.304 8.905 3.308 160 HG21 THR 22 HG21 THR 22 61.146 9.794 -0.322 161 HG22 THR 22 HG22 THR 22 60.300 10.639 0.974 162 HG23 THR 22 HG23 THR 22 59.488 9.351 0.084 163 HA PRO 23 HA PRO 23 64.430 6.880 -1.827 164 HB2 PRO 23 HB2 PRO 23 63.556 6.550 -4.363 165 HB3 PRO 23 HB1 PRO 23 63.499 5.232 -3.174 166 HG2 PRO 23 HG2 PRO 23 61.307 6.990 -4.142 167 HG3 PRO 23 HG1 PRO 23 61.279 5.267 -3.738 168 HD2 PRO 23 HD2 PRO 23 60.387 7.308 -2.058 169 HD3 PRO 23 HD1 PRO 23 60.840 5.675 -1.522 170 H ARG 24 HN ARG 24 65.603 8.297 -3.300 171 HA ARG 24 HA ARG 24 66.145 10.391 -4.195 172 HE ARG 24 HE ARG 24 63.134 12.224 -3.739 173 HB2 ARG 24 HB2 ARG 24 64.335 9.693 -5.802 174 HB3 ARG 24 HB1 ARG 24 63.181 10.573 -4.804 175 HG2 ARG 24 HG2 ARG 24 65.434 12.278 -5.306 176 HG3 ARG 24 HG1 ARG 24 64.872 11.620 -6.843 177 HD2 ARG 24 HD2 ARG 24 63.728 13.766 -6.128 178 HD3 ARG 24 HD1 ARG 24 62.636 12.422 -6.461 179 HH11 ARG 24 HH21 ARG 24 62.049 14.657 -5.927 180 HH12 ARG 24 HH22 ARG 24 61.055 15.456 -4.756 181 HH21 ARG 24 HH11 ARG 24 61.842 13.253 -2.196 182 HH22 ARG 24 HH12 ARG 24 60.938 14.661 -2.643 183 H LYS 25 HN LYS 25 66.540 12.283 -3.158 184 HA LYS 25 HA LYS 25 64.448 13.370 -1.318 185 HB2 LYS 25 HB2 LYS 25 67.395 13.394 -0.641 186 HB3 LYS 25 HB1 LYS 25 66.028 13.718 0.423 187 HG2 LYS 25 HG2 LYS 25 66.396 11.542 1.055 188 HG3 LYS 25 HG1 LYS 25 65.387 11.212 -0.354 189 HD2 LYS 25 HD2 LYS 25 67.566 11.200 -1.712 190 HD3 LYS 25 HD1 LYS 25 68.402 11.125 -0.161 191 HE2 LYS 25 HE2 LYS 25 66.275 9.162 -1.065 192 HE3 LYS 25 HE1 LYS 25 68.011 8.866 -1.146 193 HZ1 LYS 25 HZ1 LYS 25 66.346 9.272 1.269 194 HZ2 LYS 25 HZ2 LYS 25 68.043 9.352 1.303 195 HZ3 LYS 25 HZ3 LYS 25 67.268 7.909 0.854 196 H GLY 26 HN GLY 26 67.678 14.127 -2.672 197 HA2 GLY 26 HA2 GLY 26 66.609 16.602 -3.846 198 HA3 GLY 26 HA1 GLY 26 67.796 16.837 -2.562 199 HA PRO 27 HA PRO 27 69.934 16.598 -6.764 200 HB2 PRO 27 HB2 PRO 27 71.719 18.351 -5.117 201 HB3 PRO 27 HB1 PRO 27 71.238 18.513 -6.818 202 HG2 PRO 27 HG2 PRO 27 70.168 20.036 -4.911 203 HG3 PRO 27 HG1 PRO 27 69.218 19.469 -6.295 204 HD2 PRO 27 HD2 PRO 27 69.119 18.573 -3.455 205 HD3 PRO 27 HD1 PRO 27 67.839 18.563 -4.688 206 HA PRO 28 HA PRO 28 72.776 13.325 -5.861 207 HB2 PRO 28 HB2 PRO 28 74.885 15.107 -7.038 208 HB3 PRO 28 HB1 PRO 28 74.537 13.400 -7.377 209 HG2 PRO 28 HG2 PRO 28 73.761 15.369 -9.021 210 HG3 PRO 28 HG1 PRO 28 72.810 13.893 -8.794 211 HD2 PRO 28 HD2 PRO 28 72.214 16.644 -7.894 212 HD3 PRO 28 HD1 PRO 28 71.114 15.265 -8.104 213 H LYS 29 HN LYS 29 74.136 12.779 -4.136 214 HA LYS 29 HA LYS 29 75.692 14.910 -2.795 215 HB2 LYS 29 HB2 LYS 29 73.276 13.559 -1.648 216 HB3 LYS 29 HB1 LYS 29 74.629 13.891 -0.566 217 HG2 LYS 29 HG2 LYS 29 74.593 16.271 -1.294 218 HG3 LYS 29 HG1 LYS 29 73.183 15.921 -2.295 219 HD2 LYS 29 HD2 LYS 29 71.808 15.501 -0.428 220 HD3 LYS 29 HD1 LYS 29 73.187 15.265 0.647 221 HE2 LYS 29 HE2 LYS 29 72.057 17.466 0.997 222 HE3 LYS 29 HE1 LYS 29 73.746 17.635 0.518 223 HZ1 LYS 29 HZ1 LYS 29 71.314 18.105 -1.075 224 HZ2 LYS 29 HZ2 LYS 29 72.778 17.723 -1.847 225 HZ3 LYS 29 HZ3 LYS 29 72.667 19.107 -0.868 226 H1U RCY 30 H1U RCY 30 80.046 16.017 -6.950 227 H1S RCY 30 H1S RCY 30 78.173 11.578 -6.494 228 HB1 RCY 30 HB1 RCY 30 79.116 10.330 -3.246 229 HB2 RCY 30 HB2 RCY 30 79.446 11.891 -3.999 230 HA RCY 30 HA RCY 30 77.918 11.299 -1.472 231 HN1 RCY 30 HN1 RCY 30 77.667 13.991 -2.674 232 H LYS 31 HN LYS 31 79.408 14.277 -2.620 233 HA LYS 31 HA LYS 31 81.434 15.317 -2.005 234 HB2 LYS 31 HB2 LYS 31 80.877 14.145 0.723 235 HB3 LYS 31 HB1 LYS 31 81.594 15.706 0.327 236 HG2 LYS 31 HG2 LYS 31 78.730 14.910 -0.271 237 HG3 LYS 31 HG1 LYS 31 79.235 15.938 1.070 238 HD2 LYS 31 HD2 LYS 31 80.317 17.460 -0.659 239 HD3 LYS 31 HD1 LYS 31 79.480 16.515 -1.891 240 HE2 LYS 31 HE2 LYS 31 78.216 18.564 -1.202 241 HE3 LYS 31 HE1 LYS 31 77.319 17.071 -0.923 242 HZ1 LYS 31 HZ1 LYS 31 78.965 18.402 1.154 243 HZ2 LYS 31 HZ2 LYS 31 77.864 17.125 1.367 244 HZ3 LYS 31 HZ3 LYS 31 77.302 18.677 0.965 245 H GLN 32 HN GLN 32 83.304 14.584 -0.007 246 HA GLN 32 HA GLN 32 84.528 12.211 -1.322 247 HB2 GLN 32 HB2 GLN 32 85.716 14.274 0.561 248 HB3 GLN 32 HB1 GLN 32 86.611 12.969 -0.219 249 HG2 GLN 32 HG2 GLN 32 86.266 13.888 -2.388 250 HG3 GLN 32 HG1 GLN 32 85.018 14.989 -1.806 251 HE21 GLN 32 HE21 GLN 32 86.113 16.957 -2.397 252 HE22 GLN 32 HE22 GLN 32 87.562 17.449 -1.661 253 H ARG 33 HN ARG 33 86.229 11.421 0.774 254 HA ARG 33 HA ARG 33 84.826 10.995 3.249 255 HE ARG 33 HE ARG 33 84.411 7.700 -1.641 256 HB2 ARG 33 HB2 ARG 33 84.635 8.418 2.792 257 HB3 ARG 33 HB1 ARG 33 83.359 9.490 2.214 258 HG2 ARG 33 HG2 ARG 33 84.194 9.459 -0.013 259 HG3 ARG 33 HG1 ARG 33 85.734 8.762 0.493 260 HD2 ARG 33 HD2 ARG 33 84.756 6.644 0.934 261 HD3 ARG 33 HD1 ARG 33 83.121 7.305 0.907 262 HH11 ARG 33 HH21 ARG 33 82.937 5.371 0.431 263 HH12 ARG 33 HH22 ARG 33 82.409 4.353 -0.868 264 HH21 ARG 33 HH11 ARG 33 83.730 6.384 -3.349 265 HH22 ARG 33 HH12 ARG 33 82.858 4.927 -3.008 266 H GLN 34 HN GLN 34 86.813 11.383 4.240 267 HA GLN 34 HA GLN 34 88.650 9.159 4.426 268 HB2 GLN 34 HB2 GLN 34 89.296 10.224 2.212 269 HB3 GLN 34 HB1 GLN 34 89.765 11.658 3.126 270 HG2 GLN 34 HG2 GLN 34 91.403 10.391 4.388 271 HG3 GLN 34 HG1 GLN 34 90.856 8.880 3.660 272 HE21 GLN 34 HE21 GLN 34 91.260 8.609 1.288 273 HE22 GLN 34 HE22 GLN 34 92.525 9.467 0.551 274 H THR 35 HN THR 35 89.109 9.261 6.567 275 HA THR 35 HA THR 35 90.300 11.633 7.737 276 HB THR 35 HB THR 35 87.670 10.848 8.982 277 HG1 THR 35 HG1 THR 35 86.640 12.296 7.721 278 HG21 THR 35 HG21 THR 35 89.366 13.360 8.985 279 HG22 THR 35 HG22 THR 35 89.208 12.205 10.309 280 HG23 THR 35 HG23 THR 35 87.824 13.186 9.824 281 H ARG 36 HN ARG 36 90.198 8.472 7.467 282 HA ARG 36 HA ARG 36 90.982 6.686 8.766 283 HE ARG 36 HE ARG 36 94.263 4.610 10.637 284 HB2 ARG 36 HB2 ARG 36 92.724 8.572 9.246 285 HB3 ARG 36 HB1 ARG 36 91.917 8.699 10.808 286 HG2 ARG 36 HG2 ARG 36 93.532 7.109 11.310 287 HG3 ARG 36 HG1 ARG 36 92.207 6.061 10.802 288 HD2 ARG 36 HD2 ARG 36 93.141 5.936 8.538 289 HD3 ARG 36 HD1 ARG 36 94.439 7.039 8.995 290 HH11 ARG 36 HH21 ARG 36 95.558 6.224 7.880 291 HH12 ARG 36 HH22 ARG 36 96.946 5.194 7.763 292 HH21 ARG 36 HH11 ARG 36 96.068 3.256 10.501 293 HH22 ARG 36 HH12 ARG 36 97.234 3.514 9.247 294 H GLN 37 HN GLN 37 88.297 8.010 9.287 295 HA GLN 37 HA GLN 37 87.409 6.333 11.393 296 HB2 GLN 37 HB2 GLN 37 88.708 8.746 12.301 297 HB3 GLN 37 HB1 GLN 37 86.997 8.831 12.713 298 HG2 GLN 37 HG2 GLN 37 88.659 6.366 13.269 299 HG3 GLN 37 HG1 GLN 37 88.527 7.689 14.429 300 HE21 GLN 37 HE21 GLN 37 87.038 7.046 15.998 301 HE22 GLN 37 HE22 GLN 37 85.537 6.322 15.673 302 H1U RCY 38 H1U RCY 38 81.480 6.957 3.673 303 H1S RCY 38 H1S RCY 38 80.973 7.924 7.599 304 HB1 RCY 38 HB1 RCY 38 82.652 6.161 11.346 305 HB2 RCY 38 HB2 RCY 38 83.177 5.380 9.854 306 HA RCY 38 HA RCY 38 83.891 7.625 8.996 307 HN1 RCY 38 HN1 RCY 38 85.286 6.089 10.890 308 H LYS 39 HN LYS 39 83.146 7.706 12.499 309 HA LYS 39 HA LYS 39 83.206 10.622 12.537 310 HB2 LYS 39 HB2 LYS 39 80.775 10.817 13.186 311 HB3 LYS 39 HB1 LYS 39 81.041 10.393 11.496 312 HG2 LYS 39 HG2 LYS 39 80.118 8.325 11.739 313 HG3 LYS 39 HG1 LYS 39 80.867 8.076 13.317 314 HD2 LYS 39 HD2 LYS 39 79.188 9.586 14.339 315 HD3 LYS 39 HD1 LYS 39 78.421 9.782 12.762 316 HE2 LYS 39 HE2 LYS 39 77.701 7.540 12.697 317 HE3 LYS 39 HE1 LYS 39 78.855 7.039 13.933 318 HZ1 LYS 39 HZ1 LYS 39 76.642 8.939 14.459 319 HZ2 LYS 39 HZ2 LYS 39 77.630 8.152 15.596 320 HZ3 LYS 39 HZ3 LYS 39 76.497 7.265 14.692 321 H SER 40 HN SER 40 82.649 7.537 14.059 322 HA SER 40 HA SER 40 83.917 8.213 16.484 323 HG SER 40 HG SER 40 80.529 7.958 15.790 324 HB2 SER 40 HB2 SER 40 81.679 8.172 17.893 325 HB3 SER 40 HB1 SER 40 82.261 9.685 17.206 326 H LYS 41 HN LYS 41 82.230 6.158 14.460 327 HA LYS 41 HA LYS 41 82.500 3.906 16.416 328 HB2 LYS 41 HB2 LYS 41 80.380 4.023 14.261 329 HB3 LYS 41 HB1 LYS 41 80.482 2.909 15.623 330 HG2 LYS 41 HG2 LYS 41 80.246 5.884 16.063 331 HG3 LYS 41 HG1 LYS 41 78.815 4.883 15.815 332 HD2 LYS 41 HD2 LYS 41 80.706 3.749 17.754 333 HD3 LYS 41 HD1 LYS 41 80.045 5.307 18.249 334 HE2 LYS 41 HE2 LYS 41 78.580 3.526 19.046 335 HE3 LYS 41 HE1 LYS 41 77.752 4.439 17.785 336 HZ1 LYS 41 HZ1 LYS 41 78.040 1.764 17.809 337 HZ2 LYS 41 HZ2 LYS 41 79.331 2.234 16.809 338 HZ3 LYS 41 HZ3 LYS 41 77.742 2.689 16.419 339 HA PRO 42 HA PRO 42 84.871 2.972 12.578 340 HB2 PRO 42 HB2 PRO 42 87.195 2.233 13.769 341 HB3 PRO 42 HB1 PRO 42 86.773 3.933 13.487 342 HG2 PRO 42 HG2 PRO 42 86.669 2.352 15.994 343 HG3 PRO 42 HG1 PRO 42 87.063 4.060 15.748 344 HD2 PRO 42 HD2 PRO 42 84.590 3.082 16.630 345 HD3 PRO 42 HD1 PRO 42 84.878 4.705 15.966 346 HA PRO 43 HA PRO 43 84.229 -1.413 12.728 347 HB2 PRO 43 HB2 PRO 43 86.068 -2.311 10.914 348 HB3 PRO 43 HB1 PRO 43 84.598 -1.434 10.446 349 HG2 PRO 43 HG2 PRO 43 87.388 -0.430 10.708 350 HG3 PRO 43 HG1 PRO 43 86.163 -0.058 9.483 351 HD2 PRO 43 HD2 PRO 43 86.733 1.618 11.576 352 HD3 PRO 43 HD1 PRO 43 85.134 1.541 10.803 353 H LYS 44 HN LYS 44 84.881 -2.991 14.147 354 HA LYS 44 HA LYS 44 87.418 -2.721 15.545 355 HB2 LYS 44 HB2 LYS 44 85.386 -3.558 16.683 356 HB3 LYS 44 HB1 LYS 44 85.376 -4.965 15.618 357 HG2 LYS 44 HG2 LYS 44 87.410 -5.799 16.527 358 HG3 LYS 44 HG1 LYS 44 87.770 -4.268 17.326 359 HD2 LYS 44 HD2 LYS 44 86.952 -5.851 18.987 360 HD3 LYS 44 HD1 LYS 44 85.742 -4.589 18.754 361 HE2 LYS 44 HE2 LYS 44 84.339 -6.001 17.485 362 HE3 LYS 44 HE1 LYS 44 85.637 -7.153 17.170 363 HZ1 LYS 44 HZ1 LYS 44 84.165 -8.024 18.837 364 HZ2 LYS 44 HZ2 LYS 44 84.342 -6.628 19.789 365 HZ3 LYS 44 HZ3 LYS 44 85.662 -7.671 19.553 366 H LYS 45 HN LYS 45 86.464 -4.190 12.639 367 HA LYS 45 HA LYS 45 87.952 -6.560 12.498 368 HB2 LYS 45 HB2 LYS 45 87.713 -4.476 10.305 369 HB3 LYS 45 HB1 LYS 45 88.066 -6.190 10.084 370 HG2 LYS 45 HG2 LYS 45 85.857 -6.693 11.210 371 HG3 LYS 45 HG1 LYS 45 85.502 -4.967 11.134 372 HD2 LYS 45 HD2 LYS 45 85.850 -5.053 8.658 373 HD3 LYS 45 HD1 LYS 45 86.051 -6.801 8.783 374 HE2 LYS 45 HE2 LYS 45 83.582 -5.178 9.439 375 HE3 LYS 45 HE1 LYS 45 83.754 -6.421 8.199 376 HZ1 LYS 45 HZ1 LYS 45 83.900 -6.832 11.137 377 HZ2 LYS 45 HZ2 LYS 45 84.170 -8.039 9.972 378 HZ3 LYS 45 HZ3 LYS 45 82.637 -7.320 10.114 379 H GLY 46 HN GLY 46 89.265 -3.735 10.798 380 HA2 GLY 46 HA2 GLY 46 91.579 -3.292 12.341 381 HA3 GLY 46 HA1 GLY 46 91.978 -4.594 11.219 382 H VAL 47 HN VAL 47 91.178 -4.056 8.859 383 HA VAL 47 HA VAL 47 92.678 -1.956 7.816 384 HB VAL 47 HB VAL 47 91.870 -3.498 6.235 385 HG11 VAL 47 HG11 VAL 47 89.161 -2.987 7.486 386 HG12 VAL 47 HG12 VAL 47 90.071 -4.498 7.461 387 HG13 VAL 47 HG13 VAL 47 89.360 -3.872 5.973 388 HG21 VAL 47 HG21 VAL 47 90.768 -2.176 4.602 389 HG22 VAL 47 HG22 VAL 47 91.628 -1.003 5.600 390 HG23 VAL 47 HG23 VAL 47 89.895 -1.249 5.822 391 H GLN 48 HN GLN 48 92.530 0.188 8.242 392 HA GLN 48 HA GLN 48 89.830 1.441 8.301 393 HB2 GLN 48 HB2 GLN 48 90.512 2.799 10.281 394 HB3 GLN 48 HB1 GLN 48 90.390 1.079 10.648 395 HG2 GLN 48 HG2 GLN 48 92.946 1.055 10.009 396 HG3 GLN 48 HG1 GLN 48 92.849 2.782 10.359 397 HE21 GLN 48 HE21 GLN 48 90.821 2.539 12.472 398 HE22 GLN 48 HE22 GLN 48 91.583 1.811 13.802 399 H GLY 49 HN GLY 49 89.997 2.773 6.566 400 HA2 GLY 49 HA2 GLY 49 92.021 4.894 6.605 401 HA3 GLY 49 HA1 GLY 49 92.165 3.783 5.240 402 H1U RCY 50 H1U RCY 50 84.527 0.893 5.723 403 H1S RCY 50 H1S RCY 50 87.208 2.313 6.818 404 HB1 RCY 50 HB1 RCY 50 87.358 4.448 4.352 405 HB2 RCY 50 HB2 RCY 50 86.227 5.746 4.734 406 HA RCY 50 HA RCY 50 88.582 6.544 4.351 407 HN1 RCY 50 HN1 RCY 50 89.378 5.273 6.919 408 H GLY 51 HN GLY 51 86.033 7.405 5.338 409 HA2 GLY 51 HA2 GLY 51 85.985 8.545 7.896 410 HA3 GLY 51 HA1 GLY 51 86.858 9.698 6.885 411 H ASP 52 HN ASP 52 84.272 10.147 8.109 412 HA ASP 52 HA ASP 52 82.822 11.003 5.712 413 HB2 ASP 52 HB2 ASP 52 82.111 8.583 6.182 414 HB3 ASP 52 HB1 ASP 52 81.363 9.201 7.654 415 H ASP 53 HN ASP 53 83.996 12.566 7.644 416 HA ASP 53 HA ASP 53 82.198 13.243 9.806 417 HB2 ASP 53 HB2 ASP 53 84.717 13.750 9.627 418 HB3 ASP 53 HB1 ASP 53 84.251 15.101 8.593 419 H ILE 54 HN ILE 54 81.325 13.296 6.817 420 HA ILE 54 HA ILE 54 80.228 16.077 6.791 421 HB ILE 54 HB ILE 54 80.363 14.096 4.500 422 HG12 ILE 54 HG12 ILE 54 82.588 14.999 5.565 423 HG13 ILE 54 HG11 ILE 54 82.385 15.060 3.814 424 HG21 ILE 54 HG21 ILE 54 78.690 15.711 4.039 425 HG22 ILE 54 HG22 ILE 54 80.127 16.325 3.222 426 HG23 ILE 54 HG23 ILE 54 79.630 17.013 4.768 427 HD11 ILE 54 HD11 ILE 54 83.216 17.210 4.965 428 HD12 ILE 54 HD12 ILE 54 81.572 17.369 5.583 429 HD13 ILE 54 HD13 ILE 54 81.865 17.375 3.844 430 HA PRO 55 HA PRO 55 76.542 13.535 7.729 431 HB2 PRO 55 HB2 PRO 55 75.198 15.416 9.154 432 HB3 PRO 55 HB1 PRO 55 76.523 14.464 9.852 433 HG2 PRO 55 HG2 PRO 55 76.530 17.265 8.863 434 HG3 PRO 55 HG1 PRO 55 77.381 16.549 10.241 435 HD2 PRO 55 HD2 PRO 55 78.543 17.086 7.766 436 HD3 PRO 55 HD1 PRO 55 79.182 15.934 8.959 437 H GLY 56 HN GLY 56 76.926 14.848 5.188 438 HA2 GLY 56 HA2 GLY 56 74.906 16.724 4.518 439 HA3 GLY 56 HA1 GLY 56 75.641 15.598 3.375 440 H MET 57 HN MET 57 74.725 13.377 3.323 441 HA MET 57 HA MET 57 72.302 12.668 4.649 442 HB2 MET 57 HB2 MET 57 71.957 14.577 2.550 443 HB3 MET 57 HB1 MET 57 71.310 13.047 1.966 444 HG2 MET 57 HG2 MET 57 70.602 14.345 4.615 445 HG3 MET 57 HG1 MET 57 69.587 14.354 3.172 446 HE1 MET 57 HE1 MET 57 68.165 11.004 2.732 447 HE2 MET 57 HE2 MET 57 68.927 12.362 1.908 448 HE3 MET 57 HE3 MET 57 67.612 12.655 3.044 449 H GLU 58 HN GLU 58 74.700 11.364 3.964 450 HA GLU 58 HA GLU 58 75.459 9.339 3.060 451 HB2 GLU 58 HB2 GLU 58 72.557 8.771 2.417 452 HB3 GLU 58 HB1 GLU 58 73.841 7.610 2.752 453 HG2 GLU 58 HG2 GLU 58 72.716 9.613 4.732 454 HG3 GLU 58 HG1 GLU 58 72.377 7.882 4.717 455 H GLY 59 HN GLY 59 72.630 9.771 0.934 456 HA2 GLY 59 HA2 GLY 59 73.392 11.083 -1.250 457 HA3 GLY 59 HA1 GLY 59 74.477 9.698 -1.389 458 H1U RCY 60 H1U RCY 60 73.993 4.632 3.960 459 H1S RCY 60 H1S RCY 60 70.973 6.134 1.664 460 HB1 RCY 60 HB1 RCY 60 71.771 5.465 -1.855 461 HB2 RCY 60 HB2 RCY 60 70.149 5.995 -2.296 462 HA RCY 60 HA RCY 60 72.180 6.734 -3.777 463 HN1 RCY 60 HN1 RCY 60 73.698 7.909 -2.389 464 H GLY 61 HN GLY 61 71.601 8.425 -5.262 465 HA2 GLY 61 HA2 GLY 61 69.504 10.321 -4.721 466 HA3 GLY 61 HA1 GLY 61 70.114 9.901 -6.323 467 H THR 62 HN THR 62 69.202 8.000 -7.380 468 HA THR 62 HA THR 62 66.746 6.874 -6.156 469 HB THR 62 HB THR 62 65.366 8.149 -7.414 470 HG1 THR 62 HG1 THR 62 66.679 7.371 -9.770 471 HG21 THR 62 HG21 THR 62 67.071 9.887 -7.461 472 HG22 THR 62 HG22 THR 62 66.281 9.812 -9.037 473 HG23 THR 62 HG23 THR 62 67.879 9.099 -8.816 474 H ASP 63 HN ASP 63 68.629 6.926 -9.207 475 HA ASP 63 HA ASP 63 67.982 4.325 -10.075 476 HB2 ASP 63 HB2 ASP 63 69.284 6.045 -11.376 477 HB3 ASP 63 HB1 ASP 63 70.688 5.656 -10.381 478 H ILE 64 HN ILE 64 70.574 5.371 -7.870 479 HA ILE 64 HA ILE 64 71.619 2.702 -7.512 480 HB ILE 64 HB ILE 64 73.285 4.108 -6.832 481 HG12 ILE 64 HG12 ILE 64 71.643 4.417 -4.305 482 HG13 ILE 64 HG11 ILE 64 72.469 2.917 -4.727 483 HG21 ILE 64 HG21 ILE 64 72.813 6.404 -5.937 484 HG22 ILE 64 HG22 ILE 64 71.089 6.054 -6.067 485 HG23 ILE 64 HG23 ILE 64 72.090 6.109 -7.518 486 HD11 ILE 64 HD11 ILE 64 73.729 4.599 -3.210 487 HD12 ILE 64 HD12 ILE 64 73.950 5.543 -4.683 488 HD13 ILE 64 HD13 ILE 64 74.605 3.909 -4.576 489 H THR 65 HN THR 65 69.639 4.799 -5.440 490 HA THR 65 HA THR 65 69.148 3.317 -3.222 491 HB THR 65 HB THR 65 66.820 4.386 -4.829 492 HG1 THR 65 HG1 THR 65 68.461 5.931 -4.816 493 HG21 THR 65 HG21 THR 65 66.292 3.209 -2.730 494 HG22 THR 65 HG22 THR 65 65.956 4.934 -2.583 495 HG23 THR 65 HG23 THR 65 67.414 4.254 -1.859 496 H VAL 66 HN VAL 66 68.129 2.396 -6.463 497 HA VAL 66 HA VAL 66 67.057 -0.157 -5.309 498 HB VAL 66 HB VAL 66 65.617 -0.189 -7.443 499 HG11 VAL 66 HG11 VAL 66 63.885 1.198 -6.390 500 HG12 VAL 66 HG12 VAL 66 65.103 1.969 -5.373 501 HG13 VAL 66 HG13 VAL 66 64.736 0.257 -5.165 502 HG21 VAL 66 HG21 VAL 66 65.200 1.933 -8.517 503 HG22 VAL 66 HG22 VAL 66 66.946 1.684 -8.510 504 HG23 VAL 66 HG23 VAL 66 66.207 2.783 -7.345 505 H ILE 67 HN ILE 67 68.793 1.409 -7.958 506 HA ILE 67 HA ILE 67 70.043 -1.231 -8.590 507 HB ILE 67 HB ILE 67 69.169 0.829 -10.641 508 HG12 ILE 67 HG12 ILE 67 68.066 -1.948 -10.116 509 HG13 ILE 67 HG11 ILE 67 67.294 -0.462 -9.562 510 HG21 ILE 67 HG21 ILE 67 70.425 -1.922 -10.887 511 HG22 ILE 67 HG22 ILE 67 71.177 -0.384 -11.316 512 HG23 ILE 67 HG23 ILE 67 69.801 -0.982 -12.243 513 HD11 ILE 67 HD11 ILE 67 66.255 -1.086 -11.651 514 HD12 ILE 67 HD12 ILE 67 67.825 -1.286 -12.429 515 HD13 ILE 67 HD13 ILE 67 67.271 0.322 -11.961 516 H1U RCY 68 H1U RCY 68 74.214 0.628 -0.156 517 H1S RCY 68 H1S RCY 68 73.523 1.933 -4.237 518 HB1 RCY 68 HB1 RCY 68 73.971 2.023 -6.224 519 HB2 RCY 68 HB2 RCY 68 74.662 0.401 -6.267 520 HA RCY 68 HA RCY 68 73.295 1.857 -8.371 521 HN1 RCY 68 HN1 RCY 68 71.939 -0.650 -7.507 522 HA PRO 69 HA PRO 69 76.452 0.220 -10.922 523 HB2 PRO 69 HB2 PRO 69 78.330 0.848 -8.661 524 HB3 PRO 69 HB1 PRO 69 78.504 1.193 -10.394 525 HG2 PRO 69 HG2 PRO 69 77.729 3.064 -8.638 526 HG3 PRO 69 HG1 PRO 69 77.131 3.023 -10.304 527 HD2 PRO 69 HD2 PRO 69 75.679 2.454 -7.803 528 HD3 PRO 69 HD1 PRO 69 75.035 2.819 -9.418 529 H TRP 70 HN TRP 70 76.505 -0.831 -7.533 530 HA TRP 70 HA TRP 70 78.199 -3.094 -7.846 531 HD1 TRP 70 HD1 TRP 70 78.228 -5.437 -6.592 532 HE1 TRP 70 HE1 TRP 70 76.998 -7.492 -5.641 533 HE3 TRP 70 HE3 TRP 70 74.113 -3.159 -4.603 534 HZ2 TRP 70 HZ2 TRP 70 74.583 -8.093 -4.222 535 HZ3 TRP 70 HZ3 TRP 70 72.368 -4.492 -3.461 536 HH2 TRP 70 HH2 TRP 70 72.595 -6.952 -3.267 537 HB2 TRP 70 HB2 TRP 70 77.742 -2.641 -5.610 538 HB3 TRP 70 HB1 TRP 70 76.039 -2.309 -5.919 539 H GLU 71 HN GLU 71 74.621 -2.981 -7.868 540 HA GLU 71 HA GLU 71 74.138 -5.651 -8.569 541 HB2 GLU 71 HB2 GLU 71 72.641 -3.145 -9.384 542 HB3 GLU 71 HB1 GLU 71 72.016 -4.782 -9.598 543 HG2 GLU 71 HG2 GLU 71 72.982 -3.854 -6.900 544 HG3 GLU 71 HG1 GLU 71 71.346 -3.481 -7.445 545 H ALA 72 HN ALA 72 74.668 -2.890 -10.781 546 HA ALA 72 HA ALA 72 74.524 -4.584 -13.143 547 HB1 ALA 72 HB1 ALA 72 73.992 -2.091 -13.028 548 HB2 ALA 72 HB2 ALA 72 75.003 -2.602 -14.380 549 HB3 ALA 72 HB3 ALA 72 75.734 -1.819 -12.979 550 H1U RCY 73 H1U RCY 73 76.245 -0.172 -6.836 551 H1S RCY 73 H1S RCY 73 78.730 -0.014 -10.399 552 HB1 RCY 73 HB1 RCY 73 80.726 -3.728 -10.976 553 HB2 RCY 73 HB2 RCY 73 79.278 -3.405 -10.022 554 HA RCY 73 HA RCY 73 79.229 -4.096 -12.972 555 HN1 RCY 73 HN1 RCY 73 77.132 -3.337 -11.108 556 H ASN 74 HN ASN 74 78.090 -5.493 -9.869 557 HA ASN 74 HA ASN 74 78.436 -8.191 -10.841 558 HB2 ASN 74 HB2 ASN 74 80.837 -7.248 -10.386 559 HB3 ASN 74 HB1 ASN 74 80.417 -7.474 -8.688 560 HD21 ASN 74 HD21 ASN 74 82.310 -9.014 -10.616 561 HD22 ASN 74 HD22 ASN 74 81.857 -10.635 -10.404 562 H HIS 75 HN HIS 75 78.249 -9.776 -8.902 563 HA HIS 75 HA HIS 75 76.127 -8.730 -7.139 564 HD1 HIS 75 HD1 HIS 75 79.154 -11.137 -6.791 565 HD2 HIS 75 HD2 HIS 75 76.581 -12.919 -9.548 566 HE1 HIS 75 HE1 HIS 75 80.551 -12.788 -8.110 567 HE2 HIS 75 HE2 HIS 75 78.996 -13.880 -9.792 568 HB2 HIS 75 HB2 HIS 75 76.136 -11.229 -6.401 569 HB3 HIS 75 HB1 HIS 75 75.559 -10.837 -8.021 570 H1U RCY 76 H1U RCY 76 80.652 -1.981 0.448 571 H1S RCY 76 H1S RCY 76 80.205 -5.680 -1.906 572 HB1 RCY 76 HB1 RCY 76 77.343 -7.066 -3.328 573 HB2 RCY 76 HB2 RCY 76 78.990 -7.247 -3.926 574 HA RCY 76 HA RCY 76 78.918 -9.629 -3.658 575 HN1 RCY 76 HN1 RCY 76 76.222 -9.174 -4.788 576 H GLU 77 HN GLU 77 75.501 -9.696 -3.472 577 HA GLU 77 HA GLU 77 75.215 -10.007 -0.621 578 HB2 GLU 77 HB2 GLU 77 72.974 -10.683 -1.081 579 HB3 GLU 77 HB1 GLU 77 73.366 -9.491 -2.317 580 HG2 GLU 77 HG2 GLU 77 73.361 -12.506 -2.616 581 HG3 GLU 77 HG1 GLU 77 72.311 -11.350 -3.435 582 H LEU 78 HN LEU 78 76.362 -12.075 -3.129 583 HA LEU 78 HA LEU 78 75.723 -14.636 -2.130 584 HG LEU 78 HG LEU 78 78.072 -16.169 -4.400 585 HB2 LEU 78 HB2 LEU 78 77.076 -13.859 -4.271 586 HB3 LEU 78 HB1 LEU 78 78.471 -14.088 -3.222 587 HD11 LEU 78 HD11 LEU 78 77.931 -17.657 -2.545 588 HD12 LEU 78 HD12 LEU 78 76.899 -16.549 -1.639 589 HD13 LEU 78 HD13 LEU 78 78.602 -16.164 -1.888 590 HD21 LEU 78 HD21 LEU 78 75.998 -17.089 -4.755 591 HD22 LEU 78 HD22 LEU 78 75.478 -15.420 -4.520 592 HD23 LEU 78 HD23 LEU 78 75.385 -16.569 -3.185 593 H HIS 79 HN HIS 79 78.821 -12.924 -1.578 594 HA HIS 79 HA HIS 79 79.246 -14.560 0.848 595 HD1 HIS 79 HD1 HIS 79 81.792 -15.770 -1.224 596 HD2 HIS 79 HD2 HIS 79 80.433 -12.102 -2.672 597 HE1 HIS 79 HE1 HIS 79 81.914 -15.909 -3.750 598 HE2 HIS 79 HE2 HIS 79 81.089 -13.682 -4.644 599 HB2 HIS 79 HB2 HIS 79 81.158 -12.390 0.144 600 HB3 HIS 79 HB1 HIS 79 81.476 -14.058 0.621 601 H GLU 80 HN GLU 80 80.390 -13.046 2.675 602 HA GLU 80 HA GLU 80 78.296 -11.055 3.376 603 HB2 GLU 80 HB2 GLU 80 80.477 -12.393 5.003 604 HB3 GLU 80 HB1 GLU 80 79.404 -11.149 5.644 605 HG2 GLU 80 HG2 GLU 80 77.457 -12.609 4.898 606 HG3 GLU 80 HG1 GLU 80 78.639 -13.884 4.598 607 H LEU 81 HN LEU 81 81.148 -10.504 5.063 608 HA LEU 81 HA LEU 81 81.505 -7.914 3.784 609 HG LEU 81 HG LEU 81 84.501 -9.464 5.182 610 HB2 LEU 81 HB2 LEU 81 83.101 -7.466 5.494 611 HB3 LEU 81 HB1 LEU 81 81.856 -8.443 6.266 612 HD11 LEU 81 HD11 LEU 81 83.425 -8.991 7.970 613 HD12 LEU 81 HD12 LEU 81 84.893 -8.330 7.250 614 HD13 LEU 81 HD13 LEU 81 84.804 -10.044 7.653 615 HD21 LEU 81 HD21 LEU 81 83.688 -11.575 6.424 616 HD22 LEU 81 HD22 LEU 81 82.924 -11.214 4.875 617 HD23 LEU 81 HD23 LEU 81 82.088 -10.833 6.381 618 H ALA 82 HN ALA 82 82.525 -10.989 2.979 619 HA ALA 82 HA ALA 82 85.230 -10.469 2.138 620 HB1 ALA 82 HB1 ALA 82 85.131 -12.577 1.056 621 HB2 ALA 82 HB2 ALA 82 83.384 -12.477 0.842 622 HB3 ALA 82 HB3 ALA 82 84.062 -12.748 2.448 623 H GLN 83 HN GLN 83 82.425 -11.061 -0.013 624 HA GLN 83 HA GLN 83 82.053 -10.246 -2.194 625 HB2 GLN 83 HB2 GLN 83 81.398 -8.312 -0.712 626 HB3 GLN 83 HB1 GLN 83 83.021 -7.659 -0.942 627 HG2 GLN 83 HG2 GLN 83 82.633 -7.671 -3.409 628 HG3 GLN 83 HG1 GLN 83 80.977 -8.203 -3.116 629 HE21 GLN 83 HE21 GLN 83 80.398 -6.062 -4.203 630 HE22 GLN 83 HE22 GLN 83 80.379 -4.659 -3.248 631 H TYR 84 HN TYR 84 83.871 -11.442 -3.116 632 HA TYR 84 HA TYR 84 85.899 -11.614 -4.287 633 HD1 TYR 84 HD2 TYR 84 86.518 -11.147 -7.107 634 HD2 TYR 84 HD1 TYR 84 82.893 -9.517 -5.479 635 HE1 TYR 84 HE2 TYR 84 85.223 -12.188 -8.949 636 HE2 TYR 84 HE1 TYR 84 81.598 -10.557 -7.320 637 HH TYR 84 HH TYR 84 82.927 -11.656 -10.107 638 HB2 TYR 84 HB2 TYR 84 85.067 -8.743 -4.711 639 HB3 TYR 84 HB1 TYR 84 86.561 -9.366 -5.412 640 H GLY 85 HN GLY 85 85.759 -10.482 -1.349 641 HA2 GLY 85 HA2 GLY 85 87.600 -10.364 0.182 642 HA3 GLY 85 HA1 GLY 85 88.681 -10.057 -1.178 643 H ILE 86 HN ILE 86 87.775 -7.900 -2.408 644 HA ILE 86 HA ILE 86 87.117 -5.822 -0.391 645 HB ILE 86 HB ILE 86 88.991 -4.407 -1.489 646 HG12 ILE 86 HG12 ILE 86 90.047 -7.184 -2.096 647 HG13 ILE 86 HG11 ILE 86 89.366 -6.109 -3.318 648 HG21 ILE 86 HG21 ILE 86 90.642 -5.265 0.110 649 HG22 ILE 86 HG22 ILE 86 89.742 -6.775 0.253 650 HG23 ILE 86 HG23 ILE 86 89.037 -5.269 0.841 651 HD11 ILE 86 HD11 ILE 86 91.679 -5.348 -1.515 652 HD12 ILE 86 HD12 ILE 86 91.072 -4.447 -2.905 653 HD13 ILE 86 HD13 ILE 86 91.879 -5.998 -3.143 654 H1U RCY 87 H1U RCY 87 80.024 0.035 -1.818 655 H1S RCY 87 H1S RCY 87 83.561 -1.612 -2.849 656 HB1 RCY 87 HB1 RCY 87 85.267 -1.544 -4.103 657 HB2 RCY 87 HB2 RCY 87 86.965 -1.512 -3.629 658 HA RCY 87 HA RCY 87 85.120 -3.903 -3.782 659 HN1 RCY 87 HN1 RCY 87 87.365 -3.590 -1.967 Start of MODEL 27 1 HA MET 1 HA MET 1 47.943 12.723 -2.357 2 HB2 MET 1 HB2 MET 1 46.932 10.588 -3.445 3 HB3 MET 1 HB1 MET 1 48.603 10.158 -3.806 4 HG2 MET 1 HG2 MET 1 47.619 10.883 -1.033 5 HG3 MET 1 HG1 MET 1 47.753 9.225 -1.621 6 HE1 MET 1 HE1 MET 1 50.689 9.452 0.834 7 HE2 MET 1 HE2 MET 1 49.021 8.963 0.540 8 HE3 MET 1 HE3 MET 1 49.377 10.625 1.005 9 H ASN 2 HN ASN 2 49.938 11.516 -5.079 10 HA ASN 2 HA ASN 2 52.394 11.777 -3.533 11 HB2 ASN 2 HB2 ASN 2 51.930 10.163 -5.497 12 HB3 ASN 2 HB1 ASN 2 52.232 11.552 -6.541 13 HD21 ASN 2 HD21 ASN 2 54.320 11.157 -7.355 14 HD22 ASN 2 HD22 ASN 2 55.678 10.841 -6.388 15 H LEU 3 HN LEU 3 54.028 12.942 -5.629 16 HA LEU 3 HA LEU 3 53.004 15.734 -5.788 17 HG LEU 3 HG LEU 3 55.449 17.463 -3.877 18 HB2 LEU 3 HB2 LEU 3 54.858 14.963 -3.883 19 HB3 LEU 3 HB1 LEU 3 55.892 15.522 -5.193 20 HD11 LEU 3 HD11 LEU 3 54.820 17.394 -6.493 21 HD12 LEU 3 HD12 LEU 3 54.656 18.858 -5.524 22 HD13 LEU 3 HD13 LEU 3 53.245 17.850 -5.844 23 HD21 LEU 3 HD21 LEU 3 52.897 18.044 -3.548 24 HD22 LEU 3 HD22 LEU 3 53.686 16.914 -2.448 25 HD23 LEU 3 HD23 LEU 3 52.678 16.307 -3.762 26 H GLU 4 HN GLU 4 56.058 14.027 -6.560 27 HA GLU 4 HA GLU 4 56.130 15.327 -9.182 28 HB2 GLU 4 HB2 GLU 4 58.172 14.812 -7.757 29 HB3 GLU 4 HB1 GLU 4 57.929 13.115 -8.168 30 HG2 GLU 4 HG2 GLU 4 59.505 13.980 -9.757 31 HG3 GLU 4 HG1 GLU 4 57.970 13.816 -10.611 32 HA PRO 5 HA PRO 5 53.556 12.345 -11.309 33 HB2 PRO 5 HB2 PRO 5 55.664 12.750 -13.409 34 HB3 PRO 5 HB1 PRO 5 53.897 12.731 -13.580 35 HG2 PRO 5 HG2 PRO 5 55.284 15.015 -13.520 36 HG3 PRO 5 HG1 PRO 5 53.666 14.882 -12.813 37 HD2 PRO 5 HD2 PRO 5 56.279 15.164 -11.448 38 HD3 PRO 5 HD1 PRO 5 54.647 15.524 -10.843 39 HA PRO 6 HA PRO 6 56.136 8.729 -10.477 40 HB2 PRO 6 HB2 PRO 6 54.215 6.827 -10.737 41 HB3 PRO 6 HB1 PRO 6 54.304 7.899 -9.326 42 HG2 PRO 6 HG2 PRO 6 52.515 8.053 -11.698 43 HG3 PRO 6 HG1 PRO 6 52.161 8.376 -9.993 44 HD2 PRO 6 HD2 PRO 6 52.651 10.351 -11.867 45 HD3 PRO 6 HD1 PRO 6 52.906 10.553 -10.120 46 H LYS 7 HN LYS 7 56.942 6.863 -11.679 47 HA LYS 7 HA LYS 7 56.127 6.732 -14.548 48 HB2 LYS 7 HB2 LYS 7 59.018 6.714 -13.647 49 HB3 LYS 7 HB1 LYS 7 58.408 6.779 -15.299 50 HG2 LYS 7 HG2 LYS 7 58.793 9.028 -15.017 51 HG3 LYS 7 HG1 LYS 7 57.180 8.966 -14.305 52 HD2 LYS 7 HD2 LYS 7 58.439 10.092 -12.667 53 HD3 LYS 7 HD1 LYS 7 58.428 8.426 -12.086 54 HE2 LYS 7 HE2 LYS 7 60.703 9.582 -12.078 55 HE3 LYS 7 HE1 LYS 7 60.639 8.027 -12.906 56 HZ1 LYS 7 HZ1 LYS 7 60.605 9.060 -14.988 57 HZ2 LYS 7 HZ2 LYS 7 61.778 9.920 -14.109 58 HZ3 LYS 7 HZ3 LYS 7 60.230 10.582 -14.339 59 H ALA 8 HN ALA 8 56.591 4.658 -15.524 60 HA ALA 8 HA ALA 8 56.182 2.409 -13.856 61 HB1 ALA 8 HB1 ALA 8 55.725 2.255 -16.228 62 HB2 ALA 8 HB2 ALA 8 56.982 1.077 -15.847 63 HB3 ALA 8 HB3 ALA 8 57.409 2.603 -16.622 64 H GLU 9 HN GLU 9 57.661 0.765 -13.131 65 HA GLU 9 HA GLU 9 60.549 1.225 -13.434 66 HB2 GLU 9 HB2 GLU 9 60.796 1.171 -10.864 67 HB3 GLU 9 HB1 GLU 9 60.281 2.689 -11.595 68 HG2 GLU 9 HG2 GLU 9 58.030 0.914 -11.000 69 HG3 GLU 9 HG1 GLU 9 58.949 1.347 -9.559 70 H1U RCY 10 H1U RCY 10 63.835 -4.218 -6.087 71 H1S RCY 10 H1S RCY 10 63.668 -4.015 -10.882 72 HB1 RCY 10 HB1 RCY 10 60.768 -3.898 -10.144 73 HB2 RCY 10 HB2 RCY 10 60.851 -2.275 -9.461 74 HA RCY 10 HA RCY 10 59.358 -3.032 -11.992 75 HN1 RCY 10 HN1 RCY 10 59.112 -0.391 -10.665 76 H ARG 11 HN ARG 11 59.311 -2.393 -8.522 77 HA ARG 11 HA ARG 11 56.620 -3.671 -8.401 78 HE ARG 11 HE ARG 11 60.361 -4.098 -4.739 79 HB2 ARG 11 HB2 ARG 11 58.573 -3.106 -6.150 80 HB3 ARG 11 HB1 ARG 11 57.124 -4.109 -6.064 81 HG2 ARG 11 HG2 ARG 11 58.066 -5.715 -7.611 82 HG3 ARG 11 HG1 ARG 11 59.454 -4.670 -7.918 83 HD2 ARG 11 HD2 ARG 11 58.767 -5.794 -5.189 84 HD3 ARG 11 HD1 ARG 11 59.922 -6.540 -6.295 85 HH11 ARG 11 HH21 ARG 11 61.188 -6.016 -7.482 86 HH12 ARG 11 HH22 ARG 11 62.779 -5.349 -7.636 87 HH21 ARG 11 HH11 ARG 11 62.434 -3.216 -4.924 88 HH22 ARG 11 HH12 ARG 11 63.484 -3.763 -6.187 89 H SER 12 HN SER 12 55.631 -2.700 -6.052 90 HA SER 12 HA SER 12 55.001 0.091 -6.783 91 HG SER 12 HG SER 12 52.057 -1.610 -6.077 92 HB2 SER 12 HB2 SER 12 53.868 -1.834 -4.743 93 HB3 SER 12 HB1 SER 12 53.371 -0.147 -4.830 94 H ALA 13 HN ALA 13 56.967 -1.640 -4.522 95 HA ALA 13 HA ALA 13 58.345 -0.895 -2.775 96 HB1 ALA 13 HB1 ALA 13 59.037 0.642 -4.709 97 HB2 ALA 13 HB2 ALA 13 59.388 1.227 -3.082 98 HB3 ALA 13 HB3 ALA 13 58.002 1.863 -3.967 99 H THR 14 HN THR 14 57.277 -1.006 -0.841 100 HA THR 14 HA THR 14 54.873 0.160 -0.088 101 HB THR 14 HB THR 14 56.159 -1.450 1.310 102 HG1 THR 14 HG1 THR 14 55.219 -0.697 3.054 103 HG21 THR 14 HG21 THR 14 58.019 -0.702 2.650 104 HG22 THR 14 HG22 THR 14 57.802 0.964 2.113 105 HG23 THR 14 HG23 THR 14 58.361 -0.263 0.976 106 H ARG 15 HN ARG 15 57.877 1.768 -0.645 107 HA ARG 15 HA ARG 15 58.501 4.021 -0.418 108 HE ARG 15 HE ARG 15 57.389 8.440 -1.857 109 HB2 ARG 15 HB2 ARG 15 56.348 4.161 -1.801 110 HB3 ARG 15 HB1 ARG 15 55.531 4.580 -0.295 111 HG2 ARG 15 HG2 ARG 15 56.954 6.522 0.004 112 HG3 ARG 15 HG1 ARG 15 57.936 6.065 -1.388 113 HD2 ARG 15 HD2 ARG 15 55.746 6.186 -2.745 114 HD3 ARG 15 HD1 ARG 15 55.082 7.047 -1.357 115 HH11 ARG 15 HH21 ARG 15 54.773 7.308 -3.796 116 HH12 ARG 15 HH22 ARG 15 54.881 8.607 -4.937 117 HH21 ARG 15 HH11 ARG 15 57.546 10.143 -3.335 118 HH22 ARG 15 HH12 ARG 15 56.451 10.212 -4.676 119 H VAL 16 HN VAL 16 59.403 3.978 1.669 120 HA VAL 16 HA VAL 16 58.031 5.499 3.699 121 HB VAL 16 HB VAL 16 56.951 3.165 3.840 122 HG11 VAL 16 HG11 VAL 16 59.467 2.402 5.300 123 HG12 VAL 16 HG12 VAL 16 59.346 2.132 3.562 124 HG13 VAL 16 HG13 VAL 16 58.198 1.361 4.656 125 HG21 VAL 16 HG21 VAL 16 56.838 4.820 5.666 126 HG22 VAL 16 HG22 VAL 16 58.411 4.283 6.257 127 HG23 VAL 16 HG23 VAL 16 57.027 3.191 6.317 128 H MET 17 HN MET 17 60.714 3.983 2.344 129 HA MET 17 HA MET 17 62.542 3.856 4.516 130 HB2 MET 17 HB2 MET 17 63.061 4.511 1.600 131 HB3 MET 17 HB1 MET 17 64.302 4.070 2.772 132 HG2 MET 17 HG2 MET 17 63.808 2.025 1.707 133 HG3 MET 17 HG1 MET 17 62.856 1.956 3.190 134 HE1 MET 17 HE1 MET 17 62.884 3.169 -0.461 135 HE2 MET 17 HE2 MET 17 61.493 2.320 -1.132 136 HE3 MET 17 HE3 MET 17 62.846 1.401 -0.477 137 H GLY 18 HN GLY 18 61.558 6.573 2.453 138 HA2 GLY 18 HA2 GLY 18 62.075 8.550 4.404 139 HA3 GLY 18 HA1 GLY 18 63.525 8.427 3.407 140 H GLY 19 HN GLY 19 60.084 8.130 2.488 141 HA2 GLY 19 HA2 GLY 19 58.877 9.264 0.823 142 HA3 GLY 19 HA1 GLY 19 59.768 10.695 1.342 143 HA PRO 20 HA PRO 20 60.776 9.975 -3.159 144 HB2 PRO 20 HB2 PRO 20 61.600 12.810 -2.639 145 HB3 PRO 20 HB1 PRO 20 60.747 12.122 -4.036 146 HG2 PRO 20 HG2 PRO 20 59.456 13.514 -2.175 147 HG3 PRO 20 HG1 PRO 20 58.716 12.104 -2.952 148 HD2 PRO 20 HD2 PRO 20 59.806 12.370 -0.188 149 HD3 PRO 20 HD1 PRO 20 58.504 11.321 -0.794 150 H1U RCY 21 H1U RCY 21 64.688 4.917 1.307 151 H1S RCY 21 H1S RCY 21 67.391 7.142 -1.583 152 HB1 RCY 21 HB1 RCY 21 65.271 8.955 -5.155 153 HB2 RCY 21 HB2 RCY 21 64.465 7.840 -4.052 154 HA RCY 21 HA RCY 21 65.084 9.579 -2.212 155 HN1 RCY 21 HN1 RCY 21 62.849 9.742 -4.130 156 H THR 22 HN THR 22 65.751 11.720 -1.839 157 HA THR 22 HA THR 22 66.174 13.550 -4.081 158 HB THR 22 HB THR 22 65.588 14.743 -2.171 159 HG1 THR 22 HG1 THR 22 68.390 14.615 -1.815 160 HG21 THR 22 HG21 THR 22 65.540 13.014 -0.546 161 HG22 THR 22 HG22 THR 22 66.696 14.190 0.080 162 HG23 THR 22 HG23 THR 22 67.271 12.716 -0.698 163 HA PRO 23 HA PRO 23 70.287 12.666 -5.424 164 HB2 PRO 23 HB2 PRO 23 70.905 15.434 -4.420 165 HB3 PRO 23 HB1 PRO 23 71.362 14.669 -5.956 166 HG2 PRO 23 HG2 PRO 23 69.329 16.380 -5.809 167 HG3 PRO 23 HG1 PRO 23 69.273 14.967 -6.875 168 HD2 PRO 23 HD2 PRO 23 67.772 15.475 -4.370 169 HD3 PRO 23 HD1 PRO 23 67.385 14.378 -5.712 170 H ARG 24 HN ARG 24 72.209 14.648 -3.690 171 HA ARG 24 HA ARG 24 73.274 12.512 -2.059 172 HE ARG 24 HE ARG 24 73.686 16.821 -0.188 173 HB2 ARG 24 HB2 ARG 24 74.592 14.572 -1.065 174 HB3 ARG 24 HB1 ARG 24 74.918 14.034 -2.713 175 HG2 ARG 24 HG2 ARG 24 73.778 15.821 -3.671 176 HG3 ARG 24 HG1 ARG 24 72.758 16.063 -2.252 177 HD2 ARG 24 HD2 ARG 24 75.712 16.473 -1.977 178 HD3 ARG 24 HD1 ARG 24 74.756 17.726 -2.769 179 HH11 ARG 24 HH21 ARG 24 75.701 18.993 -1.952 180 HH12 ARG 24 HH22 ARG 24 75.668 20.224 -0.734 181 HH21 ARG 24 HH11 ARG 24 73.631 18.417 1.413 182 HH22 ARG 24 HH12 ARG 24 74.496 19.898 1.171 183 H LYS 25 HN LYS 25 72.947 15.600 -0.506 184 HA LYS 25 HA LYS 25 71.973 16.211 1.528 185 HB2 LYS 25 HB2 LYS 25 69.885 14.203 0.626 186 HB3 LYS 25 HB1 LYS 25 69.687 15.322 1.972 187 HG2 LYS 25 HG2 LYS 25 70.434 16.325 -0.770 188 HG3 LYS 25 HG1 LYS 25 68.748 16.030 -0.342 189 HD2 LYS 25 HD2 LYS 25 69.088 17.502 1.678 190 HD3 LYS 25 HD1 LYS 25 70.679 17.915 1.037 191 HE2 LYS 25 HE2 LYS 25 67.977 18.486 -0.193 192 HE3 LYS 25 HE1 LYS 25 69.221 19.644 0.279 193 HZ1 LYS 25 HZ1 LYS 25 69.736 19.525 -1.892 194 HZ2 LYS 25 HZ2 LYS 25 69.024 17.996 -2.103 195 HZ3 LYS 25 HZ3 LYS 25 70.578 18.127 -1.429 196 H GLY 26 HN GLY 26 72.763 15.642 3.461 197 HA2 GLY 26 HA2 GLY 26 73.332 14.321 5.317 198 HA3 GLY 26 HA1 GLY 26 72.339 13.032 4.635 199 HA PRO 27 HA PRO 27 76.583 12.587 2.390 200 HB2 PRO 27 HB2 PRO 27 78.373 14.539 3.681 201 HB3 PRO 27 HB1 PRO 27 78.023 14.312 1.958 202 HG2 PRO 27 HG2 PRO 27 77.185 16.454 3.361 203 HG3 PRO 27 HG1 PRO 27 76.289 15.789 1.984 204 HD2 PRO 27 HD2 PRO 27 75.739 15.472 4.920 205 HD3 PRO 27 HD1 PRO 27 74.593 15.667 3.573 206 HA PRO 28 HA PRO 28 78.800 10.005 5.211 207 HB2 PRO 28 HB2 PRO 28 81.385 11.439 4.765 208 HB3 PRO 28 HB1 PRO 28 81.011 9.712 4.602 209 HG2 PRO 28 HG2 PRO 28 81.317 11.278 2.471 210 HG3 PRO 28 HG1 PRO 28 80.124 9.969 2.496 211 HD2 PRO 28 HD2 PRO 28 79.685 12.919 2.706 212 HD3 PRO 28 HD1 PRO 28 78.640 11.669 1.995 213 H LYS 29 HN LYS 29 78.774 10.088 7.416 214 HA LYS 29 HA LYS 29 79.687 12.615 8.748 215 HB2 LYS 29 HB2 LYS 29 77.358 10.786 9.359 216 HB3 LYS 29 HB1 LYS 29 78.006 11.899 10.563 217 HG2 LYS 29 HG2 LYS 29 77.380 12.977 7.842 218 HG3 LYS 29 HG1 LYS 29 76.035 12.643 8.934 219 HD2 LYS 29 HD2 LYS 29 77.015 14.075 10.647 220 HD3 LYS 29 HD1 LYS 29 78.445 14.340 9.649 221 HE2 LYS 29 HE2 LYS 29 77.188 15.551 8.010 222 HE3 LYS 29 HE1 LYS 29 75.654 15.059 8.727 223 HZ1 LYS 29 HZ1 LYS 29 77.482 16.431 10.508 224 HZ2 LYS 29 HZ2 LYS 29 75.802 16.606 10.325 225 HZ3 LYS 29 HZ3 LYS 29 76.862 17.379 9.245 226 H1U RCY 30 H1U RCY 30 79.167 7.825 5.048 227 H1S RCY 30 H1S RCY 30 83.334 7.361 7.007 228 HB1 RCY 30 HB1 RCY 30 83.293 9.280 11.039 229 HB2 RCY 30 HB2 RCY 30 82.857 10.364 9.719 230 HA RCY 30 HA RCY 30 81.513 7.758 9.552 231 HN1 RCY 30 HN1 RCY 30 80.296 9.352 8.317 232 H LYS 31 HN LYS 31 79.565 7.298 10.877 233 HA LYS 31 HA LYS 31 79.456 8.568 13.539 234 HB2 LYS 31 HB2 LYS 31 77.775 6.468 12.152 235 HB3 LYS 31 HB1 LYS 31 77.532 6.911 13.843 236 HG2 LYS 31 HG2 LYS 31 77.158 9.249 13.199 237 HG3 LYS 31 HG1 LYS 31 77.453 8.845 11.507 238 HD2 LYS 31 HD2 LYS 31 75.482 7.532 11.362 239 HD3 LYS 31 HD1 LYS 31 75.306 7.459 13.116 240 HE2 LYS 31 HE2 LYS 31 75.155 10.046 11.552 241 HE3 LYS 31 HE1 LYS 31 73.735 9.077 11.947 242 HZ1 LYS 31 HZ1 LYS 31 73.893 9.563 14.143 243 HZ2 LYS 31 HZ2 LYS 31 74.594 10.981 13.524 244 HZ3 LYS 31 HZ3 LYS 31 75.581 9.731 14.116 245 H GLN 32 HN GLN 32 81.854 7.133 12.963 246 HA GLN 32 HA GLN 32 83.073 5.171 13.580 247 HB2 GLN 32 HB2 GLN 32 82.932 5.188 16.266 248 HB3 GLN 32 HB1 GLN 32 83.795 6.427 15.363 249 HG2 GLN 32 HG2 GLN 32 82.377 7.583 16.921 250 HG3 GLN 32 HG1 GLN 32 81.629 7.760 15.333 251 HE21 GLN 32 HE21 GLN 32 79.557 8.078 16.620 252 HE22 GLN 32 HE22 GLN 32 78.718 6.701 17.153 253 H ARG 33 HN ARG 33 80.530 4.302 12.730 254 HA ARG 33 HA ARG 33 79.421 2.534 14.789 255 HE ARG 33 HE ARG 33 77.560 3.252 15.928 256 HB2 ARG 33 HB2 ARG 33 78.119 3.635 12.855 257 HB3 ARG 33 HB1 ARG 33 78.854 2.412 11.822 258 HG2 ARG 33 HG2 ARG 33 76.923 1.288 12.426 259 HG3 ARG 33 HG1 ARG 33 77.981 0.778 13.742 260 HD2 ARG 33 HD2 ARG 33 76.277 3.263 13.950 261 HD3 ARG 33 HD1 ARG 33 75.658 1.674 14.400 262 HH11 ARG 33 HH21 ARG 33 76.510 0.089 15.045 263 HH12 ARG 33 HH22 ARG 33 77.099 -0.656 16.494 264 HH21 ARG 33 HH11 ARG 33 78.336 2.298 17.825 265 HH22 ARG 33 HH12 ARG 33 78.133 0.595 18.068 266 H GLN 34 HN GLN 34 79.197 0.629 12.211 267 HA GLN 34 HA GLN 34 80.190 -1.455 11.746 268 HB2 GLN 34 HB2 GLN 34 81.610 0.142 10.458 269 HB3 GLN 34 HB1 GLN 34 82.690 0.262 11.845 270 HG2 GLN 34 HG2 GLN 34 82.130 -2.513 11.095 271 HG3 GLN 34 HG1 GLN 34 82.903 -1.602 9.798 272 HE21 GLN 34 HE21 GLN 34 84.754 -0.026 10.875 273 HE22 GLN 34 HE22 GLN 34 85.820 -0.856 11.903 274 H THR 35 HN THR 35 79.581 -1.632 14.291 275 HA THR 35 HA THR 35 81.542 -1.683 16.290 276 HB THR 35 HB THR 35 79.420 -3.820 15.961 277 HG1 THR 35 HG1 THR 35 79.020 -1.426 17.355 278 HG21 THR 35 HG21 THR 35 79.443 -3.797 18.413 279 HG22 THR 35 HG22 THR 35 80.653 -2.514 18.404 280 HG23 THR 35 HG23 THR 35 81.062 -4.117 17.794 281 H ARG 36 HN ARG 36 80.707 -4.290 13.996 282 HA ARG 36 HA ARG 36 83.467 -5.185 13.899 283 HE ARG 36 HE ARG 36 85.679 -7.738 17.950 284 HB2 ARG 36 HB2 ARG 36 81.708 -6.329 15.894 285 HB3 ARG 36 HB1 ARG 36 82.152 -7.570 14.724 286 HG2 ARG 36 HG2 ARG 36 84.505 -7.158 15.072 287 HG3 ARG 36 HG1 ARG 36 84.162 -5.737 16.060 288 HD2 ARG 36 HD2 ARG 36 83.414 -7.009 17.869 289 HD3 ARG 36 HD1 ARG 36 83.030 -8.403 16.859 290 HH11 ARG 36 HH21 ARG 36 83.760 -9.482 15.678 291 HH12 ARG 36 HH22 ARG 36 84.952 -10.710 15.412 292 HH21 ARG 36 HH11 ARG 36 87.247 -9.332 17.616 293 HH22 ARG 36 HH12 ARG 36 86.926 -10.625 16.510 294 H GLN 37 HN GLN 37 82.661 -4.599 11.671 295 HA GLN 37 HA GLN 37 81.772 -5.179 9.568 296 HB2 GLN 37 HB2 GLN 37 82.659 -7.854 10.683 297 HB3 GLN 37 HB1 GLN 37 82.151 -7.620 9.009 298 HG2 GLN 37 HG2 GLN 37 84.570 -7.441 9.108 299 HG3 GLN 37 HG1 GLN 37 83.904 -5.839 8.787 300 HE21 GLN 37 HE21 GLN 37 84.095 -4.217 10.454 301 HE22 GLN 37 HE22 GLN 37 85.021 -4.462 11.855 302 H1U RCY 38 H1U RCY 38 77.482 -2.935 5.196 303 H1S RCY 38 H1S RCY 38 78.952 -7.553 5.488 304 HB1 RCY 38 HB1 RCY 38 77.562 -6.941 8.888 305 HB2 RCY 38 HB2 RCY 38 76.993 -8.610 8.927 306 HA RCY 38 HA RCY 38 78.082 -7.661 11.078 307 HN1 RCY 38 HN1 RCY 38 80.718 -8.293 9.921 308 H LYS 39 HN LYS 39 77.779 -9.383 12.389 309 HA LYS 39 HA LYS 39 79.004 -11.981 11.747 310 HB2 LYS 39 HB2 LYS 39 77.145 -11.572 14.071 311 HB3 LYS 39 HB1 LYS 39 78.601 -12.560 13.965 312 HG2 LYS 39 HG2 LYS 39 79.462 -10.808 15.188 313 HG3 LYS 39 HG1 LYS 39 79.727 -10.158 13.570 314 HD2 LYS 39 HD2 LYS 39 78.587 -8.366 14.430 315 HD3 LYS 39 HD1 LYS 39 77.186 -9.333 13.968 316 HE2 LYS 39 HE2 LYS 39 76.715 -8.797 16.203 317 HE3 LYS 39 HE1 LYS 39 77.445 -10.397 16.338 318 HZ1 LYS 39 HZ1 LYS 39 78.974 -9.509 17.646 319 HZ2 LYS 39 HZ2 LYS 39 78.344 -7.949 17.411 320 HZ3 LYS 39 HZ3 LYS 39 79.522 -8.561 16.351 321 H SER 40 HN SER 40 77.228 -11.486 9.774 322 HA SER 40 HA SER 40 75.140 -13.522 10.285 323 HG SER 40 HG SER 40 73.141 -13.114 9.159 324 HB2 SER 40 HB2 SER 40 73.945 -11.481 10.804 325 HB3 SER 40 HB1 SER 40 74.561 -10.696 9.353 326 H LYS 41 HN LYS 41 76.650 -14.659 8.815 327 HA LYS 41 HA LYS 41 76.224 -13.856 5.959 328 HB2 LYS 41 HB2 LYS 41 78.481 -15.296 5.764 329 HB3 LYS 41 HB1 LYS 41 78.508 -13.563 6.088 330 HG2 LYS 41 HG2 LYS 41 78.782 -13.915 8.442 331 HG3 LYS 41 HG1 LYS 41 78.433 -15.638 8.290 332 HD2 LYS 41 HD2 LYS 41 80.495 -16.079 7.216 333 HD3 LYS 41 HD1 LYS 41 80.761 -14.376 6.841 334 HE2 LYS 41 HE2 LYS 41 81.012 -13.885 9.250 335 HE3 LYS 41 HE1 LYS 41 80.760 -15.591 9.621 336 HZ1 LYS 41 HZ1 LYS 41 82.984 -14.417 8.045 337 HZ2 LYS 41 HZ2 LYS 41 82.702 -16.086 8.196 338 HZ3 LYS 41 HZ3 LYS 41 83.091 -15.160 9.566 339 HA PRO 42 HA PRO 42 74.571 -18.117 6.556 340 HB2 PRO 42 HB2 PRO 42 72.129 -17.711 5.457 341 HB3 PRO 42 HB1 PRO 42 72.497 -17.243 7.129 342 HG2 PRO 42 HG2 PRO 42 72.274 -15.555 4.701 343 HG3 PRO 42 HG1 PRO 42 71.829 -15.194 6.376 344 HD2 PRO 42 HD2 PRO 42 74.181 -14.347 5.101 345 HD3 PRO 42 HD1 PRO 42 73.903 -14.359 6.856 346 HA PRO 43 HA PRO 43 75.488 -19.643 2.506 347 HB2 PRO 43 HB2 PRO 43 73.471 -21.551 2.176 348 HB3 PRO 43 HB1 PRO 43 74.993 -21.812 3.048 349 HG2 PRO 43 HG2 PRO 43 72.291 -21.194 4.108 350 HG3 PRO 43 HG1 PRO 43 73.561 -22.236 4.775 351 HD2 PRO 43 HD2 PRO 43 73.063 -19.765 5.781 352 HD3 PRO 43 HD1 PRO 43 74.703 -20.454 5.748 353 H LYS 44 HN LYS 44 75.086 -18.574 0.621 354 HA LYS 44 HA LYS 44 72.321 -18.376 -0.388 355 HB2 LYS 44 HB2 LYS 44 73.453 -16.233 1.050 356 HB3 LYS 44 HB1 LYS 44 73.612 -15.773 -0.641 357 HG2 LYS 44 HG2 LYS 44 71.461 -14.986 0.009 358 HG3 LYS 44 HG1 LYS 44 71.150 -16.467 -0.897 359 HD2 LYS 44 HD2 LYS 44 70.657 -17.700 1.032 360 HD3 LYS 44 HD1 LYS 44 71.525 -16.582 2.085 361 HE2 LYS 44 HE2 LYS 44 69.112 -15.646 0.550 362 HE3 LYS 44 HE1 LYS 44 68.913 -16.518 2.070 363 HZ1 LYS 44 HZ1 LYS 44 70.832 -14.719 2.664 364 HZ2 LYS 44 HZ2 LYS 44 69.178 -14.523 2.999 365 HZ3 LYS 44 HZ3 LYS 44 69.851 -13.837 1.598 366 H LYS 45 HN LYS 45 75.755 -17.574 -0.860 367 HA LYS 45 HA LYS 45 75.458 -18.398 -3.710 368 HB2 LYS 45 HB2 LYS 45 75.403 -15.858 -3.444 369 HB3 LYS 45 HB1 LYS 45 77.070 -15.974 -2.882 370 HG2 LYS 45 HG2 LYS 45 77.768 -16.984 -4.973 371 HG3 LYS 45 HG1 LYS 45 76.097 -17.080 -5.531 372 HD2 LYS 45 HD2 LYS 45 77.176 -14.406 -4.724 373 HD3 LYS 45 HD1 LYS 45 77.660 -15.071 -6.284 374 HE2 LYS 45 HE2 LYS 45 75.471 -15.075 -7.110 375 HE3 LYS 45 HE1 LYS 45 74.758 -15.070 -5.497 376 HZ1 LYS 45 HZ1 LYS 45 76.349 -12.781 -5.783 377 HZ2 LYS 45 HZ2 LYS 45 74.666 -12.877 -5.571 378 HZ3 LYS 45 HZ3 LYS 45 75.329 -12.882 -7.135 379 H GLY 46 HN GLY 46 78.190 -16.971 -1.921 380 HA2 GLY 46 HA2 GLY 46 79.720 -18.832 -0.880 381 HA3 GLY 46 HA1 GLY 46 79.746 -19.438 -2.537 382 H VAL 47 HN VAL 47 81.393 -18.709 -3.778 383 HA VAL 47 HA VAL 47 82.737 -16.150 -2.977 384 HB VAL 47 HB VAL 47 84.788 -17.108 -3.980 385 HG11 VAL 47 HG11 VAL 47 84.590 -17.453 -1.630 386 HG12 VAL 47 HG12 VAL 47 85.039 -19.024 -2.294 387 HG13 VAL 47 HG13 VAL 47 83.364 -18.703 -1.843 388 HG21 VAL 47 HG21 VAL 47 83.002 -19.527 -4.381 389 HG22 VAL 47 HG22 VAL 47 84.758 -19.556 -4.543 390 HG23 VAL 47 HG23 VAL 47 83.787 -18.576 -5.642 391 H GLN 48 HN GLN 48 81.470 -18.092 -5.626 392 HA GLN 48 HA GLN 48 80.906 -17.491 -7.819 393 HB2 GLN 48 HB2 GLN 48 79.955 -15.488 -6.427 394 HB3 GLN 48 HB1 GLN 48 81.327 -14.598 -7.087 395 HG2 GLN 48 HG2 GLN 48 80.616 -15.208 -9.376 396 HG3 GLN 48 HG1 GLN 48 79.231 -16.074 -8.709 397 HE21 GLN 48 HE21 GLN 48 79.917 -13.349 -6.796 398 HE22 GLN 48 HE22 GLN 48 78.779 -12.285 -7.469 399 H GLY 49 HN GLY 49 83.182 -14.856 -6.977 400 HA2 GLY 49 HA2 GLY 49 85.411 -16.043 -8.359 401 HA3 GLY 49 HA1 GLY 49 84.593 -14.886 -9.409 402 H1U RCY 50 H1U RCY 50 83.299 -5.600 -6.266 403 H1S RCY 50 H1S RCY 50 81.474 -9.386 -5.675 404 HB1 RCY 50 HB1 RCY 50 84.386 -10.313 -7.578 405 HB2 RCY 50 HB2 RCY 50 84.902 -9.878 -5.949 406 HA RCY 50 HA RCY 50 86.349 -11.624 -7.046 407 HN1 RCY 50 HN1 RCY 50 83.807 -13.040 -7.342 408 H GLY 51 HN GLY 51 87.643 -12.603 -5.511 409 HA2 GLY 51 HA2 GLY 51 86.446 -13.214 -2.851 410 HA3 GLY 51 HA1 GLY 51 87.990 -13.837 -3.433 411 H ASP 52 HN ASP 52 89.835 -12.443 -3.386 412 HA ASP 52 HA ASP 52 91.190 -10.801 -2.399 413 HB2 ASP 52 HB2 ASP 52 89.662 -9.421 -3.942 414 HB3 ASP 52 HB1 ASP 52 88.748 -9.021 -2.487 415 H ASP 53 HN ASP 53 91.614 -11.395 -0.302 416 HA ASP 53 HA ASP 53 91.390 -11.527 2.030 417 HB2 ASP 53 HB2 ASP 53 91.228 -9.023 1.660 418 HB3 ASP 53 HB1 ASP 53 89.473 -9.206 1.696 419 H ILE 54 HN ILE 54 89.789 -12.024 3.775 420 HA ILE 54 HA ILE 54 87.185 -13.016 2.673 421 HB ILE 54 HB ILE 54 89.000 -14.401 4.675 422 HG12 ILE 54 HG12 ILE 54 89.762 -14.577 2.328 423 HG13 ILE 54 HG11 ILE 54 89.171 -16.131 2.919 424 HG21 ILE 54 HG21 ILE 54 86.192 -14.909 3.718 425 HG22 ILE 54 HG22 ILE 54 86.828 -14.962 5.362 426 HG23 ILE 54 HG23 ILE 54 87.212 -16.255 4.226 427 HD11 ILE 54 HD11 ILE 54 87.980 -14.294 0.894 428 HD12 ILE 54 HD12 ILE 54 86.865 -15.175 1.939 429 HD13 ILE 54 HD13 ILE 54 88.012 -16.057 0.931 430 HA PRO 55 HA PRO 55 86.414 -10.452 6.431 431 HB2 PRO 55 HB2 PRO 55 84.763 -8.626 5.322 432 HB3 PRO 55 HB1 PRO 55 86.526 -8.508 5.159 433 HG2 PRO 55 HG2 PRO 55 84.505 -9.401 3.183 434 HG3 PRO 55 HG1 PRO 55 86.019 -8.519 2.934 435 HD2 PRO 55 HD2 PRO 55 85.645 -11.281 2.541 436 HD3 PRO 55 HD1 PRO 55 87.210 -10.450 2.658 437 H GLY 56 HN GLY 56 84.417 -12.122 4.158 438 HA2 GLY 56 HA2 GLY 56 82.666 -13.252 6.034 439 HA3 GLY 56 HA1 GLY 56 81.871 -11.783 5.464 440 H MET 57 HN MET 57 83.677 -14.535 4.057 441 HA MET 57 HA MET 57 83.430 -15.443 1.870 442 HB2 MET 57 HB2 MET 57 81.031 -16.513 1.795 443 HB3 MET 57 HB1 MET 57 82.188 -17.055 3.008 444 HG2 MET 57 HG2 MET 57 81.201 -15.524 4.662 445 HG3 MET 57 HG1 MET 57 80.061 -14.937 3.451 446 HE1 MET 57 HE1 MET 57 78.514 -16.158 2.238 447 HE2 MET 57 HE2 MET 57 77.531 -15.906 3.678 448 HE3 MET 57 HE3 MET 57 77.524 -17.476 2.878 449 H GLU 58 HN GLU 58 80.075 -15.002 1.554 450 HA GLU 58 HA GLU 58 80.049 -12.393 0.339 451 HB2 GLU 58 HB2 GLU 58 81.404 -14.030 -1.268 452 HB3 GLU 58 HB1 GLU 58 79.784 -14.526 -1.752 453 HG2 GLU 58 HG2 GLU 58 80.933 -11.723 -1.833 454 HG3 GLU 58 HG1 GLU 58 80.465 -12.721 -3.210 455 H GLY 59 HN GLY 59 78.340 -13.489 2.144 456 HA2 GLY 59 HA2 GLY 59 75.933 -14.307 0.572 457 HA3 GLY 59 HA1 GLY 59 76.159 -14.628 2.293 458 H1U RCY 60 H1U RCY 60 78.490 -7.516 4.669 459 H1S RCY 60 H1S RCY 60 73.656 -7.465 4.172 460 HB1 RCY 60 HB1 RCY 60 73.352 -11.573 4.426 461 HB2 RCY 60 HB2 RCY 60 73.290 -11.639 2.665 462 HA RCY 60 HA RCY 60 75.367 -10.098 2.727 463 HN1 RCY 60 HN1 RCY 60 76.320 -12.639 3.702 464 H GLY 61 HN GLY 61 74.090 -9.251 5.151 465 HA2 GLY 61 HA2 GLY 61 75.754 -10.001 7.417 466 HA3 GLY 61 HA1 GLY 61 76.202 -8.434 6.742 467 H THR 62 HN THR 62 72.983 -8.778 6.111 468 HA THR 62 HA THR 62 71.122 -7.640 6.995 469 HB THR 62 HB THR 62 70.773 -8.125 9.482 470 HG1 THR 62 HG1 THR 62 72.462 -10.048 9.782 471 HG21 THR 62 HG21 THR 62 70.476 -10.579 9.071 472 HG22 THR 62 HG22 THR 62 71.352 -10.388 7.552 473 HG23 THR 62 HG23 THR 62 69.808 -9.570 7.787 474 H ASP 63 HN ASP 63 74.104 -6.487 7.346 475 HA ASP 63 HA ASP 63 73.819 -4.588 9.504 476 HB2 ASP 63 HB2 ASP 63 75.706 -3.393 8.269 477 HB3 ASP 63 HB1 ASP 63 76.047 -5.058 8.741 478 H ILE 64 HN ILE 64 72.286 -4.889 6.546 479 HA ILE 64 HA ILE 64 71.587 -1.976 6.526 480 HB ILE 64 HB ILE 64 72.920 -2.617 4.529 481 HG12 ILE 64 HG12 ILE 64 70.006 -1.898 4.245 482 HG13 ILE 64 HG11 ILE 64 71.420 -0.857 4.077 483 HG21 ILE 64 HG21 ILE 64 72.363 -4.385 3.143 484 HG22 ILE 64 HG22 ILE 64 70.653 -4.315 3.566 485 HG23 ILE 64 HG23 ILE 64 71.810 -5.032 4.687 486 HD11 ILE 64 HD11 ILE 64 70.869 -1.188 1.844 487 HD12 ILE 64 HD12 ILE 64 70.273 -2.824 2.127 488 HD13 ILE 64 HD13 ILE 64 72.008 -2.510 2.097 489 H THR 65 HN THR 65 69.971 -3.195 8.160 490 HA THR 65 HA THR 65 67.905 -4.865 7.288 491 HB THR 65 HB THR 65 66.404 -3.595 8.853 492 HG1 THR 65 HG1 THR 65 68.677 -1.929 9.157 493 HG21 THR 65 HG21 THR 65 67.827 -3.926 10.885 494 HG22 THR 65 HG22 THR 65 69.217 -4.167 9.826 495 HG23 THR 65 HG23 THR 65 67.866 -5.301 9.781 496 H VAL 66 HN VAL 66 68.505 -1.479 6.681 497 HA VAL 66 HA VAL 66 67.004 -1.522 4.194 498 HB VAL 66 HB VAL 66 66.084 0.458 6.302 499 HG11 VAL 66 HG11 VAL 66 65.911 0.867 3.742 500 HG12 VAL 66 HG12 VAL 66 64.461 1.103 4.719 501 HG13 VAL 66 HG13 VAL 66 64.660 -0.375 3.779 502 HG21 VAL 66 HG21 VAL 66 63.990 -0.924 6.375 503 HG22 VAL 66 HG22 VAL 66 65.394 -1.758 7.042 504 HG23 VAL 66 HG23 VAL 66 64.819 -2.157 5.423 505 H ILE 67 HN ILE 67 68.336 0.637 6.695 506 HA ILE 67 HA ILE 67 70.115 1.850 4.642 507 HB ILE 67 HB ILE 67 68.475 3.434 6.647 508 HG12 ILE 67 HG12 ILE 67 68.264 3.264 3.623 509 HG13 ILE 67 HG11 ILE 67 67.130 2.532 4.760 510 HG21 ILE 67 HG21 ILE 67 70.705 4.390 6.149 511 HG22 ILE 67 HG22 ILE 67 69.414 5.386 5.477 512 HG23 ILE 67 HG23 ILE 67 70.343 4.318 4.425 513 HD11 ILE 67 HD11 ILE 67 66.895 4.918 5.744 514 HD12 ILE 67 HD12 ILE 67 66.108 4.585 4.201 515 HD13 ILE 67 HD13 ILE 67 67.639 5.458 4.238 516 H1U RCY 68 H1U RCY 68 70.611 2.680 1.090 517 H1S RCY 68 H1S RCY 68 71.560 0.525 5.152 518 HB1 RCY 68 HB1 RCY 68 74.208 -0.295 7.862 519 HB2 RCY 68 HB2 RCY 68 74.941 0.987 6.901 520 HA RCY 68 HA RCY 68 72.461 1.026 8.408 521 HN1 RCY 68 HN1 RCY 68 72.070 1.114 5.520 522 HA PRO 69 HA PRO 69 73.432 5.279 9.258 523 HB2 PRO 69 HB2 PRO 69 75.785 4.050 10.660 524 HB3 PRO 69 HB1 PRO 69 74.658 5.294 11.235 525 HG2 PRO 69 HG2 PRO 69 74.472 2.728 11.997 526 HG3 PRO 69 HG1 PRO 69 73.053 3.768 11.803 527 HD2 PRO 69 HD2 PRO 69 73.916 1.481 10.149 528 HD3 PRO 69 HD1 PRO 69 72.320 2.254 10.254 529 H TRP 70 HN TRP 70 76.466 3.402 8.805 530 HA TRP 70 HA TRP 70 77.763 5.624 7.484 531 HD1 TRP 70 HD1 TRP 70 77.398 2.536 9.871 532 HE1 TRP 70 HE1 TRP 70 77.033 -0.003 9.631 533 HE3 TRP 70 HE3 TRP 70 79.588 1.757 5.324 534 HZ2 TRP 70 HZ2 TRP 70 77.596 -2.094 7.755 535 HZ3 TRP 70 HZ3 TRP 70 79.660 -0.511 4.336 536 HH2 TRP 70 HH2 TRP 70 78.669 -2.436 5.542 537 HB2 TRP 70 HB2 TRP 70 79.441 3.755 6.820 538 HB3 TRP 70 HB1 TRP 70 79.263 4.140 8.530 539 H GLU 71 HN GLU 71 75.561 5.594 6.086 540 HA GLU 71 HA GLU 71 76.404 4.641 3.425 541 HB2 GLU 71 HB2 GLU 71 74.622 3.205 3.028 542 HB3 GLU 71 HB1 GLU 71 74.878 2.912 4.745 543 HG2 GLU 71 HG2 GLU 71 72.581 3.312 4.703 544 HG3 GLU 71 HG1 GLU 71 73.202 4.930 5.036 545 H ALA 72 HN ALA 72 75.002 6.878 5.463 546 HA ALA 72 HA ALA 72 72.988 8.105 3.913 547 HB1 ALA 72 HB1 ALA 72 73.315 10.033 5.280 548 HB2 ALA 72 HB2 ALA 72 75.007 9.630 5.569 549 HB3 ALA 72 HB3 ALA 72 73.732 8.660 6.303 550 H1U RCY 73 H1U RCY 73 72.279 4.297 -0.688 551 H1S RCY 73 H1S RCY 73 75.847 6.355 1.748 552 HB1 RCY 73 HB1 RCY 73 78.444 8.293 2.381 553 HB2 RCY 73 HB2 RCY 73 78.635 8.980 0.768 554 HA RCY 73 HA RCY 73 76.759 10.110 1.701 555 HN1 RCY 73 HN1 RCY 73 76.217 7.646 3.100 556 H ASN 74 HN ASN 74 74.118 9.283 1.099 557 HA ASN 74 HA ASN 74 73.676 7.788 -1.207 558 HB2 ASN 74 HB2 ASN 74 72.396 10.394 -0.340 559 HB3 ASN 74 HB1 ASN 74 71.790 9.412 -1.675 560 HD21 ASN 74 HD21 ASN 74 71.823 6.852 -0.838 561 HD22 ASN 74 HD22 ASN 74 70.979 6.641 0.619 562 H HIS 75 HN HIS 75 75.608 10.574 -0.920 563 HA HIS 75 HA HIS 75 75.315 11.861 -3.407 564 HD1 HIS 75 HD1 HIS 75 79.851 12.850 -2.536 565 HD2 HIS 75 HD2 HIS 75 76.624 12.877 -5.179 566 HE1 HIS 75 HE1 HIS 75 80.693 13.898 -4.683 567 HE2 HIS 75 HE2 HIS 75 78.738 13.921 -6.300 568 HB2 HIS 75 HB2 HIS 75 76.794 12.756 -1.696 569 HB3 HIS 75 HB1 HIS 75 77.830 11.333 -1.798 570 H1U RCY 76 H1U RCY 76 78.994 0.654 -5.532 571 H1S RCY 76 H1S RCY 76 77.321 4.712 -5.537 572 HB1 RCY 76 HB1 RCY 76 77.042 6.924 -5.984 573 HB2 RCY 76 HB2 RCY 76 75.860 7.888 -5.098 574 HA RCY 76 HA RCY 76 78.680 7.697 -4.075 575 HN1 RCY 76 HN1 RCY 76 77.582 9.192 -2.627 576 H GLU 77 HN GLU 77 80.146 9.461 -4.764 577 HA GLU 77 HA GLU 77 79.743 11.209 -6.921 578 HB2 GLU 77 HB2 GLU 77 82.216 11.115 -7.233 579 HB3 GLU 77 HB1 GLU 77 81.759 11.299 -5.539 580 HG2 GLU 77 HG2 GLU 77 81.922 8.776 -5.329 581 HG3 GLU 77 HG1 GLU 77 82.643 8.765 -6.939 582 H LEU 78 HN LEU 78 80.972 10.915 -9.123 583 HA LEU 78 HA LEU 78 79.663 8.866 -10.604 584 HG LEU 78 HG LEU 78 79.206 10.459 -12.287 585 HB2 LEU 78 HB2 LEU 78 82.033 10.643 -11.196 586 HB3 LEU 78 HB1 LEU 78 81.467 9.448 -12.364 587 HD11 LEU 78 HD11 LEU 78 79.163 12.810 -11.191 588 HD12 LEU 78 HD12 LEU 78 80.577 12.260 -10.292 589 HD13 LEU 78 HD13 LEU 78 79.042 11.406 -10.130 590 HD21 LEU 78 HD21 LEU 78 81.288 12.601 -12.785 591 HD22 LEU 78 HD22 LEU 78 79.736 12.397 -13.598 592 HD23 LEU 78 HD23 LEU 78 81.039 11.242 -13.881 593 H HIS 79 HN HIS 79 80.565 6.949 -11.590 594 HA HIS 79 HA HIS 79 82.626 5.665 -9.886 595 HD1 HIS 79 HD1 HIS 79 78.854 5.835 -10.981 596 HD2 HIS 79 HD2 HIS 79 80.953 3.907 -14.027 597 HE1 HIS 79 HE1 HIS 79 77.447 6.063 -13.075 598 HE2 HIS 79 HE2 HIS 79 78.714 4.893 -14.936 599 HB2 HIS 79 HB2 HIS 79 81.927 3.648 -11.417 600 HB3 HIS 79 HB1 HIS 79 80.816 4.204 -10.165 601 H GLU 80 HN GLU 80 83.091 7.734 -12.130 602 HA GLU 80 HA GLU 80 84.463 6.315 -14.248 603 HB2 GLU 80 HB2 GLU 80 85.287 8.512 -14.909 604 HB3 GLU 80 HB1 GLU 80 83.586 8.651 -14.462 605 HG2 GLU 80 HG2 GLU 80 84.383 9.292 -12.127 606 HG3 GLU 80 HG1 GLU 80 86.000 9.438 -12.817 607 H LEU 81 HN LEU 81 85.196 6.471 -11.061 608 HA LEU 81 HA LEU 81 88.127 6.804 -11.428 609 HG LEU 81 HG LEU 81 85.867 8.396 -10.050 610 HB2 LEU 81 HB2 LEU 81 86.568 6.298 -8.877 611 HB3 LEU 81 HB1 LEU 81 88.245 6.830 -9.006 612 HD11 LEU 81 HD11 LEU 81 87.526 8.735 -7.533 613 HD12 LEU 81 HD12 LEU 81 85.815 8.316 -7.609 614 HD13 LEU 81 HD13 LEU 81 86.356 9.912 -8.128 615 HD21 LEU 81 HD21 LEU 81 87.721 10.220 -9.979 616 HD22 LEU 81 HD22 LEU 81 87.759 9.052 -11.299 617 HD23 LEU 81 HD23 LEU 81 88.845 8.862 -9.922 618 H ALA 82 HN ALA 82 86.167 4.396 -12.096 619 HA ALA 82 HA ALA 82 87.083 2.197 -10.493 620 HB1 ALA 82 HB1 ALA 82 86.156 0.779 -12.267 621 HB2 ALA 82 HB2 ALA 82 86.067 2.167 -13.351 622 HB3 ALA 82 HB3 ALA 82 85.048 2.104 -11.913 623 H GLN 83 HN GLN 83 88.785 0.749 -10.840 624 HA GLN 83 HA GLN 83 90.476 0.943 -13.219 625 HB2 GLN 83 HB2 GLN 83 91.144 2.873 -11.634 626 HB3 GLN 83 HB1 GLN 83 91.780 1.614 -10.577 627 HG2 GLN 83 HG2 GLN 83 93.123 0.759 -12.534 628 HG3 GLN 83 HG1 GLN 83 92.607 2.184 -13.436 629 HE21 GLN 83 HE21 GLN 83 95.384 1.526 -12.583 630 HE22 GLN 83 HE22 GLN 83 95.885 2.809 -11.591 631 H TYR 84 HN TYR 84 89.042 -1.213 -12.148 632 HA TYR 84 HA TYR 84 89.296 -3.408 -11.337 633 HD1 TYR 84 HD2 TYR 84 89.773 -5.844 -12.487 634 HD2 TYR 84 HD1 TYR 84 90.753 -2.401 -14.862 635 HE1 TYR 84 HE2 TYR 84 88.442 -6.762 -14.367 636 HE2 TYR 84 HE1 TYR 84 89.422 -3.320 -16.742 637 HH TYR 84 HH TYR 84 87.343 -6.063 -16.353 638 HB2 TYR 84 HB2 TYR 84 91.852 -2.766 -12.784 639 HB3 TYR 84 HB1 TYR 84 91.709 -4.304 -11.933 640 H GLY 85 HN GLY 85 89.773 -1.299 -9.416 641 HA2 GLY 85 HA2 GLY 85 91.473 -2.834 -7.526 642 HA3 GLY 85 HA1 GLY 85 91.870 -1.134 -7.786 643 H ILE 86 HN ILE 86 88.588 -1.440 -8.175 644 HA ILE 86 HA ILE 86 88.107 -0.568 -5.354 645 HB ILE 86 HB ILE 86 85.918 0.313 -6.412 646 HG12 ILE 86 HG12 ILE 86 87.503 0.271 -8.967 647 HG13 ILE 86 HG11 ILE 86 86.499 -1.116 -8.542 648 HG21 ILE 86 HG21 ILE 86 88.586 1.478 -7.267 649 HG22 ILE 86 HG22 ILE 86 87.789 1.765 -5.720 650 HG23 ILE 86 HG23 ILE 86 87.057 2.355 -7.212 651 HD11 ILE 86 HD11 ILE 86 85.559 1.757 -8.787 652 HD12 ILE 86 HD12 ILE 86 84.548 0.401 -8.287 653 HD13 ILE 86 HD13 ILE 86 85.213 0.451 -9.920 654 H1U RCY 87 H1U RCY 87 77.189 -5.686 -3.998 655 H1S RCY 87 H1S RCY 87 80.257 -2.854 -5.970 656 HB1 RCY 87 HB1 RCY 87 82.741 -3.592 -7.294 657 HB2 RCY 87 HB2 RCY 87 83.269 -1.910 -7.334 658 HA RCY 87 HA RCY 87 84.732 -3.584 -5.395 659 HN1 RCY 87 HN1 RCY 87 85.343 -1.353 -7.193 Start of MODEL 28 1 HA MET 1 HA MET 1 57.182 15.434 14.040 2 HB2 MET 1 HB2 MET 1 55.581 17.483 14.319 3 HB3 MET 1 HB1 MET 1 54.697 16.764 12.973 4 HG2 MET 1 HG2 MET 1 54.564 14.624 14.243 5 HG3 MET 1 HG1 MET 1 55.360 15.413 15.605 6 HE1 MET 1 HE1 MET 1 53.643 16.030 17.637 7 HE2 MET 1 HE2 MET 1 53.574 14.449 16.862 8 HE3 MET 1 HE3 MET 1 52.080 15.295 17.258 9 H ASN 2 HN ASN 2 58.080 15.464 11.182 10 HA ASN 2 HA ASN 2 55.962 13.958 9.782 11 HB2 ASN 2 HB2 ASN 2 57.532 15.625 8.649 12 HB3 ASN 2 HB1 ASN 2 58.805 14.420 8.854 13 HD21 ASN 2 HD21 ASN 2 59.057 13.192 6.990 14 HD22 ASN 2 HD22 ASN 2 57.801 12.720 5.951 15 H LEU 3 HN LEU 3 58.454 13.280 11.960 16 HA LEU 3 HA LEU 3 59.255 10.694 10.893 17 HG LEU 3 HG LEU 3 60.493 13.174 11.853 18 HB2 LEU 3 HB2 LEU 3 59.483 11.731 13.735 19 HB3 LEU 3 HB1 LEU 3 60.390 10.394 13.031 20 HD11 LEU 3 HD11 LEU 3 62.306 11.966 13.966 21 HD12 LEU 3 HD12 LEU 3 61.214 13.331 14.200 22 HD13 LEU 3 HD13 LEU 3 62.600 13.486 13.121 23 HD21 LEU 3 HD21 LEU 3 62.752 12.229 11.105 24 HD22 LEU 3 HD22 LEU 3 61.327 11.496 10.367 25 HD23 LEU 3 HD23 LEU 3 62.173 10.662 11.672 26 H GLU 4 HN GLU 4 57.352 9.472 10.562 27 HA GLU 4 HA GLU 4 55.529 9.078 12.858 28 HB2 GLU 4 HB2 GLU 4 55.348 7.788 10.128 29 HB3 GLU 4 HB1 GLU 4 54.054 8.009 11.308 30 HG2 GLU 4 HG2 GLU 4 54.293 10.478 11.058 31 HG3 GLU 4 HG1 GLU 4 55.503 10.208 9.803 32 HA PRO 5 HA PRO 5 57.545 5.459 14.489 33 HB2 PRO 5 HB2 PRO 5 54.754 4.359 14.396 34 HB3 PRO 5 HB1 PRO 5 55.940 4.307 15.716 35 HG2 PRO 5 HG2 PRO 5 53.908 6.048 15.703 36 HG3 PRO 5 HG1 PRO 5 55.491 6.452 16.383 37 HD2 PRO 5 HD2 PRO 5 54.216 7.460 13.913 38 HD3 PRO 5 HD1 PRO 5 55.538 8.167 14.866 39 HA PRO 6 HA PRO 6 57.565 3.232 10.503 40 HB2 PRO 6 HB2 PRO 6 60.118 2.343 10.615 41 HB3 PRO 6 HB1 PRO 6 59.725 4.029 10.225 42 HG2 PRO 6 HG2 PRO 6 60.698 2.865 12.780 43 HG3 PRO 6 HG1 PRO 6 61.093 4.415 12.021 44 HD2 PRO 6 HD2 PRO 6 59.268 4.089 14.102 45 HD3 PRO 6 HD1 PRO 6 59.312 5.481 12.999 46 H LYS 7 HN LYS 7 57.304 1.028 9.996 47 HA LYS 7 HA LYS 7 57.092 -0.796 12.318 48 HB2 LYS 7 HB2 LYS 7 56.409 -1.472 9.453 49 HB3 LYS 7 HB1 LYS 7 55.761 -2.181 10.930 50 HG2 LYS 7 HG2 LYS 7 54.048 -0.724 10.177 51 HG3 LYS 7 HG1 LYS 7 54.860 0.177 11.458 52 HD2 LYS 7 HD2 LYS 7 55.659 1.741 10.017 53 HD3 LYS 7 HD1 LYS 7 56.051 0.541 8.786 54 HE2 LYS 7 HE2 LYS 7 54.263 2.048 8.002 55 HE3 LYS 7 HE1 LYS 7 53.667 0.396 8.164 56 HZ1 LYS 7 HZ1 LYS 7 52.053 1.400 9.335 57 HZ2 LYS 7 HZ2 LYS 7 52.995 2.768 9.691 58 HZ3 LYS 7 HZ3 LYS 7 53.181 1.345 10.601 59 H ALA 8 HN ALA 8 59.610 -0.623 12.335 60 HA ALA 8 HA ALA 8 61.055 -2.054 10.265 61 HB1 ALA 8 HB1 ALA 8 62.915 -2.019 12.013 62 HB2 ALA 8 HB2 ALA 8 61.789 -1.152 13.059 63 HB3 ALA 8 HB3 ALA 8 62.294 -0.441 11.526 64 H GLU 9 HN GLU 9 60.517 -4.186 9.993 65 HA GLU 9 HA GLU 9 61.102 -6.034 12.193 66 HB2 GLU 9 HB2 GLU 9 58.456 -5.174 11.890 67 HB3 GLU 9 HB1 GLU 9 58.489 -6.729 11.061 68 HG2 GLU 9 HG2 GLU 9 59.428 -6.200 13.898 69 HG3 GLU 9 HG1 GLU 9 57.960 -7.060 13.433 70 H1U RCY 10 H1U RCY 10 61.575 -15.248 13.099 71 H1S RCY 10 H1S RCY 10 62.966 -12.263 10.764 72 HB1 RCY 10 HB1 RCY 10 62.144 -10.933 9.124 73 HB2 RCY 10 HB2 RCY 10 60.927 -10.770 10.390 74 HA RCY 10 HA RCY 10 62.162 -8.529 8.762 75 HN1 RCY 10 HN1 RCY 10 60.874 -8.363 11.349 76 H ARG 11 HN ARG 11 59.802 -7.200 8.292 77 HA ARG 11 HA ARG 11 57.527 -8.739 7.639 78 HE ARG 11 HE ARG 11 54.813 -4.543 7.958 79 HB2 ARG 11 HB2 ARG 11 58.638 -6.301 6.213 80 HB3 ARG 11 HB1 ARG 11 57.003 -6.933 6.011 81 HG2 ARG 11 HG2 ARG 11 56.555 -6.581 8.404 82 HG3 ARG 11 HG1 ARG 11 58.197 -5.977 8.630 83 HD2 ARG 11 HD2 ARG 11 57.119 -3.963 8.322 84 HD3 ARG 11 HD1 ARG 11 57.457 -4.351 6.636 85 HH11 ARG 11 HH21 ARG 11 56.875 -5.036 5.239 86 HH12 ARG 11 HH22 ARG 11 55.570 -5.197 4.111 87 HH21 ARG 11 HH11 ARG 11 53.098 -4.750 6.501 88 HH22 ARG 11 HH12 ARG 11 53.432 -5.035 4.825 89 H SER 12 HN SER 12 56.991 -8.610 4.965 90 HA SER 12 HA SER 12 57.287 -9.948 3.051 91 HG SER 12 HG SER 12 60.056 -9.274 1.098 92 HB2 SER 12 HB2 SER 12 58.861 -8.135 2.545 93 HB3 SER 12 HB1 SER 12 60.118 -8.941 3.479 94 H ALA 13 HN ALA 13 60.591 -10.616 3.952 95 HA ALA 13 HA ALA 13 61.648 -12.655 4.434 96 HB1 ALA 13 HB1 ALA 13 59.121 -13.332 5.951 97 HB2 ALA 13 HB2 ALA 13 60.310 -12.185 6.568 98 HB3 ALA 13 HB3 ALA 13 60.767 -13.866 6.291 99 H THR 14 HN THR 14 61.744 -13.802 2.520 100 HA THR 14 HA THR 14 59.884 -16.014 2.176 101 HB THR 14 HB THR 14 59.895 -13.755 0.151 102 HG1 THR 14 HG1 THR 14 57.506 -14.278 0.701 103 HG21 THR 14 HG21 THR 14 58.209 -15.281 -1.008 104 HG22 THR 14 HG22 THR 14 58.795 -16.569 0.044 105 HG23 THR 14 HG23 THR 14 59.895 -15.792 -1.095 106 H ARG 15 HN ARG 15 62.057 -14.037 0.114 107 HA ARG 15 HA ARG 15 64.010 -16.223 0.024 108 HE ARG 15 HE ARG 15 65.415 -19.163 -3.216 109 HB2 ARG 15 HB2 ARG 15 62.131 -16.687 -1.721 110 HB3 ARG 15 HB1 ARG 15 62.847 -15.350 -2.618 111 HG2 ARG 15 HG2 ARG 15 64.062 -17.123 -3.492 112 HG3 ARG 15 HG1 ARG 15 65.099 -16.671 -2.139 113 HD2 ARG 15 HD2 ARG 15 64.060 -18.393 -0.736 114 HD3 ARG 15 HD1 ARG 15 62.963 -18.822 -2.049 115 HH11 ARG 15 HH21 ARG 15 64.018 -20.125 -0.215 116 HH12 ARG 15 HH22 ARG 15 64.951 -21.580 -0.095 117 HH21 ARG 15 HH11 ARG 15 66.641 -21.057 -3.077 118 HH22 ARG 15 HH12 ARG 15 66.436 -22.108 -1.715 119 H VAL 16 HN VAL 16 66.000 -15.550 -0.996 120 HA VAL 16 HA VAL 16 67.673 -13.857 -0.980 121 HB VAL 16 HB VAL 16 67.047 -12.279 -3.052 122 HG11 VAL 16 HG11 VAL 16 68.814 -13.994 -3.028 123 HG12 VAL 16 HG12 VAL 16 67.896 -14.073 -4.532 124 HG13 VAL 16 HG13 VAL 16 67.602 -15.255 -3.257 125 HG21 VAL 16 HG21 VAL 16 65.174 -14.655 -3.311 126 HG22 VAL 16 HG22 VAL 16 65.483 -13.451 -4.562 127 HG23 VAL 16 HG23 VAL 16 64.674 -12.981 -3.067 128 H MET 17 HN MET 17 65.403 -11.546 -2.265 129 HA MET 17 HA MET 17 64.882 -10.271 0.313 130 HB2 MET 17 HB2 MET 17 67.233 -9.588 -0.155 131 HB3 MET 17 HB1 MET 17 66.701 -8.884 -1.680 132 HG2 MET 17 HG2 MET 17 65.073 -7.981 0.573 133 HG3 MET 17 HG1 MET 17 66.777 -7.573 0.777 134 HE1 MET 17 HE1 MET 17 67.697 -5.172 -1.874 135 HE2 MET 17 HE2 MET 17 68.139 -6.867 -1.679 136 HE3 MET 17 HE3 MET 17 67.965 -5.840 -0.258 137 H GLY 18 HN GLY 18 63.852 -11.106 -2.596 138 HA2 GLY 18 HA2 GLY 18 61.470 -9.817 -2.743 139 HA3 GLY 18 HA1 GLY 18 62.551 -8.591 -3.406 140 H GLY 19 HN GLY 19 61.685 -12.035 -3.815 141 HA2 GLY 19 HA2 GLY 19 62.919 -12.502 -6.292 142 HA3 GLY 19 HA1 GLY 19 61.417 -13.280 -5.791 143 HA PRO 20 HA PRO 20 58.711 -11.101 -8.492 144 HB2 PRO 20 HB2 PRO 20 57.889 -9.243 -6.287 145 HB3 PRO 20 HB1 PRO 20 56.878 -10.185 -7.402 146 HG2 PRO 20 HG2 PRO 20 57.254 -10.943 -4.874 147 HG3 PRO 20 HG1 PRO 20 57.112 -12.120 -6.190 148 HD2 PRO 20 HD2 PRO 20 59.523 -11.321 -4.642 149 HD3 PRO 20 HD1 PRO 20 59.178 -12.845 -5.489 150 H1U RCY 21 H1U RCY 21 56.882 -5.420 -5.060 151 H1S RCY 21 H1S RCY 21 61.173 -3.567 -6.371 152 HB1 RCY 21 HB1 RCY 21 63.035 -7.533 -6.420 153 HB2 RCY 21 HB2 RCY 21 61.501 -6.998 -5.733 154 HA RCY 21 HA RCY 21 60.677 -6.810 -8.166 155 HN1 RCY 21 HN1 RCY 21 60.999 -9.290 -6.632 156 H THR 22 HN THR 22 61.274 -6.939 -10.290 157 HA THR 22 HA THR 22 63.581 -8.611 -11.071 158 HB THR 22 HB THR 22 62.891 -7.632 -13.403 159 HG1 THR 22 HG1 THR 22 60.467 -7.243 -12.024 160 HG21 THR 22 HG21 THR 22 62.478 -9.935 -12.866 161 HG22 THR 22 HG22 THR 22 60.963 -9.277 -13.484 162 HG23 THR 22 HG23 THR 22 61.183 -9.503 -11.749 163 HA PRO 23 HA PRO 23 66.811 -5.603 -11.172 164 HB2 PRO 23 HB2 PRO 23 66.814 -6.050 -14.143 165 HB3 PRO 23 HB1 PRO 23 68.181 -6.010 -13.011 166 HG2 PRO 23 HG2 PRO 23 67.164 -8.310 -13.928 167 HG3 PRO 23 HG1 PRO 23 67.821 -8.155 -12.291 168 HD2 PRO 23 HD2 PRO 23 65.009 -8.482 -13.143 169 HD3 PRO 23 HD1 PRO 23 65.748 -8.788 -11.556 170 H ARG 24 HN ARG 24 67.349 -3.433 -12.156 171 HA ARG 24 HA ARG 24 64.903 -1.900 -12.586 172 HE ARG 24 HE ARG 24 67.804 1.460 -12.433 173 HB2 ARG 24 HB2 ARG 24 66.372 0.046 -12.593 174 HB3 ARG 24 HB1 ARG 24 66.845 -1.027 -11.275 175 HG2 ARG 24 HG2 ARG 24 68.527 -2.052 -12.919 176 HG3 ARG 24 HG1 ARG 24 68.200 -0.659 -13.951 177 HD2 ARG 24 HD2 ARG 24 69.289 -0.620 -11.124 178 HD3 ARG 24 HD1 ARG 24 70.127 -0.125 -12.594 179 HH11 ARG 24 HH21 ARG 24 70.670 0.800 -10.634 180 HH12 ARG 24 HH22 ARG 24 70.760 2.385 -9.941 181 HH21 ARG 24 HH11 ARG 24 67.904 3.534 -11.539 182 HH22 ARG 24 HH12 ARG 24 69.194 3.933 -10.454 183 H LYS 25 HN LYS 25 65.544 -0.001 -14.438 184 HA LYS 25 HA LYS 25 64.779 -0.956 -16.891 185 HB2 LYS 25 HB2 LYS 25 65.450 1.473 -16.086 186 HB3 LYS 25 HB1 LYS 25 66.984 1.085 -16.861 187 HG2 LYS 25 HG2 LYS 25 65.786 2.034 -18.632 188 HG3 LYS 25 HG1 LYS 25 65.467 0.315 -18.863 189 HD2 LYS 25 HD2 LYS 25 63.303 0.475 -17.897 190 HD3 LYS 25 HD1 LYS 25 63.644 2.061 -17.203 191 HE2 LYS 25 HE2 LYS 25 62.222 1.865 -19.421 192 HE3 LYS 25 HE1 LYS 25 63.412 3.155 -19.242 193 HZ1 LYS 25 HZ1 LYS 25 63.382 1.579 -21.333 194 HZ2 LYS 25 HZ2 LYS 25 64.330 0.599 -20.319 195 HZ3 LYS 25 HZ3 LYS 25 64.834 2.178 -20.693 196 H GLY 26 HN GLY 26 68.217 -0.634 -15.908 197 HA2 GLY 26 HA2 GLY 26 68.922 -3.099 -17.258 198 HA3 GLY 26 HA1 GLY 26 69.434 -1.688 -18.183 199 HA PRO 27 HA PRO 27 72.806 -3.042 -15.157 200 HB2 PRO 27 HB2 PRO 27 74.301 -1.900 -17.486 201 HB3 PRO 27 HB1 PRO 27 74.665 -3.336 -16.509 202 HG2 PRO 27 HG2 PRO 27 73.620 -3.544 -18.947 203 HG3 PRO 27 HG1 PRO 27 73.161 -4.653 -17.643 204 HD2 PRO 27 HD2 PRO 27 71.595 -2.420 -18.850 205 HD3 PRO 27 HD1 PRO 27 71.021 -3.926 -18.100 206 HA PRO 28 HA PRO 28 72.918 1.042 -13.306 207 HB2 PRO 28 HB2 PRO 28 75.726 0.185 -12.675 208 HB3 PRO 28 HB1 PRO 28 74.509 0.923 -11.613 209 HG2 PRO 28 HG2 PRO 28 75.039 -1.696 -11.546 210 HG3 PRO 28 HG1 PRO 28 73.408 -1.062 -11.275 211 HD2 PRO 28 HD2 PRO 28 74.464 -2.561 -13.603 212 HD3 PRO 28 HD1 PRO 28 72.785 -2.370 -13.052 213 H LYS 29 HN LYS 29 73.940 3.103 -13.707 214 HA LYS 29 HA LYS 29 76.278 3.409 -15.346 215 HB2 LYS 29 HB2 LYS 29 75.139 4.289 -17.391 216 HB3 LYS 29 HB1 LYS 29 74.853 2.569 -17.138 217 HG2 LYS 29 HG2 LYS 29 72.720 3.299 -15.877 218 HG3 LYS 29 HG1 LYS 29 72.967 4.871 -16.638 219 HD2 LYS 29 HD2 LYS 29 72.952 3.805 -18.861 220 HD3 LYS 29 HD1 LYS 29 72.711 2.229 -18.106 221 HE2 LYS 29 HE2 LYS 29 70.617 3.214 -17.028 222 HE3 LYS 29 HE1 LYS 29 70.814 4.585 -18.119 223 HZ1 LYS 29 HZ1 LYS 29 70.931 1.919 -19.295 224 HZ2 LYS 29 HZ2 LYS 29 70.277 3.356 -19.921 225 HZ3 LYS 29 HZ3 LYS 29 69.411 2.457 -18.768 226 H1U RCY 30 H1U RCY 30 67.790 10.367 -11.810 227 H1S RCY 30 H1S RCY 30 71.052 10.287 -14.240 228 HB1 RCY 30 HB1 RCY 30 73.678 7.080 -13.389 229 HB2 RCY 30 HB2 RCY 30 72.590 7.093 -14.774 230 HA RCY 30 HA RCY 30 74.480 8.078 -16.136 231 HN1 RCY 30 HN1 RCY 30 74.714 5.803 -16.651 232 H LYS 31 HN LYS 31 76.824 6.179 -14.869 233 HA LYS 31 HA LYS 31 77.951 7.751 -12.767 234 HB2 LYS 31 HB2 LYS 31 79.197 5.867 -14.783 235 HB3 LYS 31 HB1 LYS 31 80.120 6.623 -13.483 236 HG2 LYS 31 HG2 LYS 31 78.866 5.524 -11.800 237 HG3 LYS 31 HG1 LYS 31 77.581 5.087 -12.927 238 HD2 LYS 31 HD2 LYS 31 79.196 3.622 -14.140 239 HD3 LYS 31 HD1 LYS 31 80.410 3.996 -12.916 240 HE2 LYS 31 HE2 LYS 31 79.146 2.935 -11.194 241 HE3 LYS 31 HE1 LYS 31 77.704 2.852 -12.205 242 HZ1 LYS 31 HZ1 LYS 31 78.482 1.077 -13.338 243 HZ2 LYS 31 HZ2 LYS 31 79.349 0.816 -11.900 244 HZ3 LYS 31 HZ3 LYS 31 80.105 1.559 -13.228 245 H GLN 32 HN GLN 32 80.200 8.868 -13.128 246 HA GLN 32 HA GLN 32 80.381 10.288 -15.715 247 HB2 GLN 32 HB2 GLN 32 80.478 12.506 -14.464 248 HB3 GLN 32 HB1 GLN 32 78.880 11.765 -14.567 249 HG2 GLN 32 HG2 GLN 32 78.977 10.990 -12.322 250 HG3 GLN 32 HG1 GLN 32 80.713 11.284 -12.213 251 HE21 GLN 32 HE21 GLN 32 80.086 12.642 -10.252 252 HE22 GLN 32 HE22 GLN 32 79.574 14.240 -10.511 253 H ARG 33 HN ARG 33 81.831 8.726 -13.205 254 HA ARG 33 HA ARG 33 84.050 8.544 -12.481 255 HE ARG 33 HE ARG 33 87.749 6.564 -12.478 256 HB2 ARG 33 HB2 ARG 33 84.292 8.309 -15.005 257 HB3 ARG 33 HB1 ARG 33 84.724 10.018 -15.036 258 HG2 ARG 33 HG2 ARG 33 86.836 9.126 -14.801 259 HG3 ARG 33 HG1 ARG 33 86.395 9.233 -13.096 260 HD2 ARG 33 HD2 ARG 33 85.542 6.880 -13.225 261 HD3 ARG 33 HD1 ARG 33 86.154 6.791 -14.876 262 HH11 ARG 33 HH21 ARG 33 87.652 7.784 -15.702 263 HH12 ARG 33 HH22 ARG 33 89.366 7.694 -15.930 264 HH21 ARG 33 HH11 ARG 33 89.989 6.440 -12.757 265 HH22 ARG 33 HH12 ARG 33 90.690 6.933 -14.263 266 H GLN 34 HN GLN 34 84.380 9.846 -10.724 267 HA GLN 34 HA GLN 34 85.459 12.556 -11.224 268 HB2 GLN 34 HB2 GLN 34 82.900 12.640 -10.832 269 HB3 GLN 34 HB1 GLN 34 83.277 12.203 -9.166 270 HG2 GLN 34 HG2 GLN 34 83.251 14.562 -9.124 271 HG3 GLN 34 HG1 GLN 34 84.966 14.170 -9.252 272 HE21 GLN 34 HE21 GLN 34 85.962 14.352 -11.450 273 HE22 GLN 34 HE22 GLN 34 85.265 15.384 -12.603 274 H THR 35 HN THR 35 84.674 12.665 -8.105 275 HA THR 35 HA THR 35 86.681 10.783 -7.050 276 HB THR 35 HB THR 35 87.962 12.646 -5.946 277 HG1 THR 35 HG1 THR 35 85.980 14.051 -7.132 278 HG21 THR 35 HG21 THR 35 87.969 12.949 -8.952 279 HG22 THR 35 HG22 THR 35 88.602 11.511 -8.151 280 HG23 THR 35 HG23 THR 35 89.332 13.086 -7.842 281 H ARG 36 HN ARG 36 85.526 9.942 -5.379 282 HA ARG 36 HA ARG 36 83.285 11.024 -4.126 283 HE ARG 36 HE ARG 36 82.765 9.529 -5.358 284 HB2 ARG 36 HB2 ARG 36 84.616 8.709 -3.820 285 HB3 ARG 36 HB1 ARG 36 85.215 9.537 -2.387 286 HG2 ARG 36 HG2 ARG 36 83.186 8.280 -1.828 287 HG3 ARG 36 HG1 ARG 36 82.868 10.011 -1.707 288 HD2 ARG 36 HD2 ARG 36 81.313 8.259 -3.125 289 HD3 ARG 36 HD1 ARG 36 81.404 9.990 -3.447 290 HH11 ARG 36 HH21 ARG 36 82.090 6.760 -3.418 291 HH12 ARG 36 HH22 ARG 36 82.649 5.628 -4.604 292 HH21 ARG 36 HH11 ARG 36 83.499 8.066 -6.918 293 HH22 ARG 36 HH12 ARG 36 83.447 6.367 -6.585 294 H GLN 37 HN GLN 37 83.081 12.952 -3.105 295 HA GLN 37 HA GLN 37 85.411 14.360 -2.061 296 HB2 GLN 37 HB2 GLN 37 83.263 15.367 -3.130 297 HB3 GLN 37 HB1 GLN 37 82.550 15.153 -1.531 298 HG2 GLN 37 HG2 GLN 37 83.427 17.348 -1.471 299 HG3 GLN 37 HG1 GLN 37 84.649 16.380 -0.646 300 HE21 GLN 37 HE21 GLN 37 86.747 16.655 -1.415 301 HE22 GLN 37 HE22 GLN 37 87.150 17.239 -2.957 302 H1U RCY 38 H1U RCY 38 75.416 11.667 3.856 303 H1S RCY 38 H1S RCY 38 79.831 10.682 2.073 304 HB1 RCY 38 HB1 RCY 38 81.174 11.842 1.004 305 HB2 RCY 38 HB2 RCY 38 80.951 13.379 1.839 306 HA RCY 38 HA RCY 38 83.302 13.656 2.159 307 HN1 RCY 38 HN1 RCY 38 82.375 13.229 -0.510 308 H LYS 39 HN LYS 39 85.035 12.650 3.047 309 HA LYS 39 HA LYS 39 85.200 9.780 3.217 310 HB2 LYS 39 HB2 LYS 39 87.193 9.400 1.869 311 HB3 LYS 39 HB1 LYS 39 85.947 10.115 0.846 312 HG2 LYS 39 HG2 LYS 39 86.990 12.378 1.355 313 HG3 LYS 39 HG1 LYS 39 88.338 11.500 2.080 314 HD2 LYS 39 HD2 LYS 39 87.367 11.184 -0.776 315 HD3 LYS 39 HD1 LYS 39 88.814 12.060 -0.278 316 HE2 LYS 39 HE2 LYS 39 89.705 9.974 -0.827 317 HE3 LYS 39 HE1 LYS 39 89.432 9.794 0.906 318 HZ1 LYS 39 HZ1 LYS 39 88.267 8.001 0.320 319 HZ2 LYS 39 HZ2 LYS 39 88.138 8.482 -1.305 320 HZ3 LYS 39 HZ3 LYS 39 87.052 9.088 -0.148 321 H SER 40 HN SER 40 86.277 12.947 3.891 322 HA SER 40 HA SER 40 88.680 12.256 5.362 323 HG SER 40 HG SER 40 85.947 14.178 5.215 324 HB2 SER 40 HB2 SER 40 88.423 14.582 6.293 325 HB3 SER 40 HB1 SER 40 88.427 14.517 4.533 326 H LYS 41 HN LYS 41 86.775 10.467 6.212 327 HA LYS 41 HA LYS 41 85.696 11.492 8.776 328 HB2 LYS 41 HB2 LYS 41 84.759 9.079 8.864 329 HB3 LYS 41 HB1 LYS 41 84.095 10.170 7.648 330 HG2 LYS 41 HG2 LYS 41 85.510 9.222 5.930 331 HG3 LYS 41 HG1 LYS 41 86.376 8.248 7.119 332 HD2 LYS 41 HD2 LYS 41 84.235 7.080 7.659 333 HD3 LYS 41 HD1 LYS 41 83.450 7.988 6.366 334 HE2 LYS 41 HE2 LYS 41 85.563 5.856 6.162 335 HE3 LYS 41 HE1 LYS 41 84.041 5.997 5.282 336 HZ1 LYS 41 HZ1 LYS 41 85.011 8.056 4.257 337 HZ2 LYS 41 HZ2 LYS 41 85.734 6.593 3.784 338 HZ3 LYS 41 HZ3 LYS 41 86.506 7.597 4.916 339 HA PRO 42 HA PRO 42 89.200 9.726 10.908 340 HB2 PRO 42 HB2 PRO 42 88.264 9.853 13.461 341 HB3 PRO 42 HB1 PRO 42 88.754 11.297 12.554 342 HG2 PRO 42 HG2 PRO 42 86.021 10.231 13.061 343 HG3 PRO 42 HG1 PRO 42 86.600 11.906 13.071 344 HD2 PRO 42 HD2 PRO 42 85.247 10.789 10.952 345 HD3 PRO 42 HD1 PRO 42 86.402 12.128 10.780 346 HA PRO 43 HA PRO 43 88.296 5.434 11.577 347 HB2 PRO 43 HB2 PRO 43 90.176 4.747 13.448 348 HB3 PRO 43 HB1 PRO 43 90.571 5.072 11.748 349 HG2 PRO 43 HG2 PRO 43 90.864 6.840 14.123 350 HG3 PRO 43 HG1 PRO 43 91.946 6.620 12.737 351 HD2 PRO 43 HD2 PRO 43 90.245 8.756 12.973 352 HD3 PRO 43 HD1 PRO 43 90.759 8.095 11.405 353 H LYS 44 HN LYS 44 87.134 4.047 12.985 354 HA LYS 44 HA LYS 44 86.721 4.876 15.792 355 HB2 LYS 44 HB2 LYS 44 85.011 6.070 14.303 356 HB3 LYS 44 HB1 LYS 44 84.327 4.476 13.986 357 HG2 LYS 44 HG2 LYS 44 84.230 4.186 16.535 358 HG3 LYS 44 HG1 LYS 44 84.534 5.921 16.633 359 HD2 LYS 44 HD2 LYS 44 82.531 6.418 15.387 360 HD3 LYS 44 HD1 LYS 44 82.279 4.713 15.010 361 HE2 LYS 44 HE2 LYS 44 80.857 5.636 16.913 362 HE3 LYS 44 HE1 LYS 44 81.786 4.186 17.292 363 HZ1 LYS 44 HZ1 LYS 44 83.146 5.305 18.675 364 HZ2 LYS 44 HZ2 LYS 44 81.824 6.366 18.794 365 HZ3 LYS 44 HZ3 LYS 44 83.118 6.729 17.753 366 H LYS 45 HN LYS 45 84.137 3.014 14.918 367 HA LYS 45 HA LYS 45 84.863 0.719 16.316 368 HB2 LYS 45 HB2 LYS 45 82.656 1.497 14.862 369 HB3 LYS 45 HB1 LYS 45 83.252 0.143 13.905 370 HG2 LYS 45 HG2 LYS 45 83.298 -1.266 15.943 371 HG3 LYS 45 HG1 LYS 45 82.660 0.086 16.880 372 HD2 LYS 45 HD2 LYS 45 80.684 -1.007 16.381 373 HD3 LYS 45 HD1 LYS 45 80.794 0.062 14.983 374 HE2 LYS 45 HE2 LYS 45 80.364 -2.066 14.042 375 HE3 LYS 45 HE1 LYS 45 82.106 -1.859 13.858 376 HZ1 LYS 45 HZ1 LYS 45 81.975 -2.957 16.281 377 HZ2 LYS 45 HZ2 LYS 45 82.164 -3.855 14.851 378 HZ3 LYS 45 HZ3 LYS 45 80.626 -3.686 15.554 379 H GLY 46 HN GLY 46 84.770 0.727 12.729 380 HA2 GLY 46 HA2 GLY 46 86.960 -1.287 12.770 381 HA3 GLY 46 HA1 GLY 46 85.909 -0.947 11.393 382 H VAL 47 HN VAL 47 88.884 -0.938 11.509 383 HA VAL 47 HA VAL 47 89.940 1.687 11.562 384 HB VAL 47 HB VAL 47 91.356 -0.326 11.446 385 HG11 VAL 47 HG11 VAL 47 89.672 -1.338 9.676 386 HG12 VAL 47 HG12 VAL 47 91.377 -1.789 9.636 387 HG13 VAL 47 HG13 VAL 47 90.760 -0.575 8.516 388 HG21 VAL 47 HG21 VAL 47 91.805 1.310 8.940 389 HG22 VAL 47 HG22 VAL 47 93.018 0.565 9.981 390 HG23 VAL 47 HG23 VAL 47 92.103 1.960 10.552 391 H GLN 48 HN GLN 48 89.089 3.358 10.428 392 HA GLN 48 HA GLN 48 88.090 4.551 8.668 393 HB2 GLN 48 HB2 GLN 48 89.972 2.711 7.167 394 HB3 GLN 48 HB1 GLN 48 89.115 4.055 6.413 395 HG2 GLN 48 HG2 GLN 48 90.941 4.351 8.815 396 HG3 GLN 48 HG1 GLN 48 91.450 4.637 7.150 397 HE21 GLN 48 HE21 GLN 48 90.982 6.680 6.261 398 HE22 GLN 48 HE22 GLN 48 90.005 7.846 7.013 399 H GLY 49 HN GLY 49 85.977 3.634 9.067 400 HA2 GLY 49 HA2 GLY 49 84.839 2.358 6.741 401 HA3 GLY 49 HA1 GLY 49 84.946 1.223 8.089 402 H1U RCY 50 H1U RCY 50 82.073 4.523 2.767 403 H1S RCY 50 H1S RCY 50 82.497 3.646 7.241 404 HB1 RCY 50 HB1 RCY 50 82.453 5.561 8.172 405 HB2 RCY 50 HB2 RCY 50 81.320 6.062 9.425 406 HA RCY 50 HA RCY 50 82.957 5.126 10.757 407 HN1 RCY 50 HN1 RCY 50 84.689 4.065 9.599 408 H GLY 51 HN GLY 51 81.395 4.527 12.236 409 HA2 GLY 51 HA2 GLY 51 80.456 1.698 12.063 410 HA3 GLY 51 HA1 GLY 51 80.653 2.600 13.566 411 H ASP 52 HN ASP 52 78.723 3.133 14.440 412 HA ASP 52 HA ASP 52 76.254 3.046 12.972 413 HB2 ASP 52 HB2 ASP 52 77.011 4.129 15.690 414 HB3 ASP 52 HB1 ASP 52 75.365 4.244 15.068 415 H ASP 53 HN ASP 53 78.641 5.174 12.524 416 HA ASP 53 HA ASP 53 77.663 7.771 12.783 417 HB2 ASP 53 HB2 ASP 53 79.219 6.516 10.507 418 HB3 ASP 53 HB1 ASP 53 78.919 8.251 10.626 419 H ILE 54 HN ILE 54 75.416 7.956 12.493 420 HA ILE 54 HA ILE 54 73.805 6.853 10.527 421 HB ILE 54 HB ILE 54 72.449 9.038 10.707 422 HG12 ILE 54 HG12 ILE 54 73.300 10.320 12.832 423 HG13 ILE 54 HG11 ILE 54 74.866 9.634 12.398 424 HG21 ILE 54 HG21 ILE 54 71.930 7.113 12.093 425 HG22 ILE 54 HG22 ILE 54 71.882 8.556 13.107 426 HG23 ILE 54 HG23 ILE 54 73.277 7.478 13.172 427 HD11 ILE 54 HD11 ILE 54 73.625 11.925 11.286 428 HD12 ILE 54 HD12 ILE 54 73.594 10.682 10.036 429 HD13 ILE 54 HD13 ILE 54 75.127 11.160 10.766 430 HA PRO 55 HA PRO 55 75.469 8.668 6.796 431 HB2 PRO 55 HB2 PRO 55 73.611 7.786 5.030 432 HB3 PRO 55 HB1 PRO 55 74.779 6.690 5.794 433 HG2 PRO 55 HG2 PRO 55 71.919 7.158 6.475 434 HG3 PRO 55 HG1 PRO 55 72.834 5.642 6.424 435 HD2 PRO 55 HD2 PRO 55 72.280 7.015 8.754 436 HD3 PRO 55 HD1 PRO 55 73.667 5.921 8.557 437 H GLY 56 HN GLY 56 75.287 10.885 6.625 438 HA2 GLY 56 HA2 GLY 56 74.274 13.010 6.453 439 HA3 GLY 56 HA1 GLY 56 73.355 12.222 5.170 440 H MET 57 HN MET 57 73.305 11.782 8.721 441 HA MET 57 HA MET 57 71.496 11.829 10.213 442 HB2 MET 57 HB2 MET 57 70.143 13.737 8.305 443 HB3 MET 57 HB1 MET 57 70.067 13.703 10.067 444 HG2 MET 57 HG2 MET 57 72.633 14.145 9.955 445 HG3 MET 57 HG1 MET 57 72.311 14.656 8.298 446 HE1 MET 57 HE1 MET 57 72.761 17.699 10.970 447 HE2 MET 57 HE2 MET 57 73.545 16.926 9.594 448 HE3 MET 57 HE3 MET 57 73.363 16.042 11.107 449 H GLU 58 HN GLU 58 70.873 9.641 9.698 450 HA GLU 58 HA GLU 58 69.392 7.982 8.946 451 HB2 GLU 58 HB2 GLU 58 67.488 10.327 8.669 452 HB3 GLU 58 HB1 GLU 58 67.048 8.628 8.847 453 HG2 GLU 58 HG2 GLU 58 67.949 8.551 11.082 454 HG3 GLU 58 HG1 GLU 58 68.658 10.157 10.907 455 H GLY 59 HN GLY 59 70.095 7.230 6.973 456 HA2 GLY 59 HA2 GLY 59 68.793 8.310 4.573 457 HA3 GLY 59 HA1 GLY 59 70.549 8.473 4.590 458 H1U RCY 60 H1U RCY 60 63.413 7.646 3.428 459 H1S RCY 60 H1S RCY 60 66.846 5.304 2.891 460 HB1 RCY 60 HB1 RCY 60 68.940 3.318 2.245 461 HB2 RCY 60 HB2 RCY 60 70.439 4.128 2.701 462 HA RCY 60 HA RCY 60 67.909 3.797 4.260 463 HN1 RCY 60 HN1 RCY 60 67.979 6.026 4.992 464 H GLY 61 HN GLY 61 69.532 4.681 6.622 465 HA2 GLY 61 HA2 GLY 61 70.858 2.129 7.087 466 HA3 GLY 61 HA1 GLY 61 71.996 3.468 6.941 467 H THR 62 HN THR 62 70.848 5.516 8.221 468 HA THR 62 HA THR 62 70.501 6.392 10.351 469 HB THR 62 HB THR 62 68.714 5.485 11.580 470 HG1 THR 62 HG1 THR 62 68.352 3.347 11.756 471 HG21 THR 62 HG21 THR 62 68.189 4.164 8.924 472 HG22 THR 62 HG22 THR 62 68.265 5.921 9.063 473 HG23 THR 62 HG23 THR 62 67.056 5.015 9.974 474 H ASP 63 HN ASP 63 70.127 4.069 12.485 475 HA ASP 63 HA ASP 63 72.837 4.246 13.481 476 HB2 ASP 63 HB2 ASP 63 72.052 2.775 15.277 477 HB3 ASP 63 HB1 ASP 63 70.861 4.040 14.971 478 H ILE 64 HN ILE 64 70.907 1.535 12.187 479 HA ILE 64 HA ILE 64 72.980 -0.414 12.307 480 HB ILE 64 HB ILE 64 70.655 -0.242 10.387 481 HG12 ILE 64 HG12 ILE 64 70.802 -1.880 12.914 482 HG13 ILE 64 HG11 ILE 64 70.267 -0.200 12.964 483 HG21 ILE 64 HG21 ILE 64 70.969 -2.782 10.456 484 HG22 ILE 64 HG22 ILE 64 72.543 -2.466 11.185 485 HG23 ILE 64 HG23 ILE 64 72.189 -1.874 9.562 486 HD11 ILE 64 HD11 ILE 64 68.379 -0.627 11.638 487 HD12 ILE 64 HD12 ILE 64 68.477 -2.073 12.644 488 HD13 ILE 64 HD13 ILE 64 69.061 -2.115 10.980 489 H THR 65 HN THR 65 72.983 2.366 10.496 490 HA THR 65 HA THR 65 73.684 2.317 8.010 491 HB THR 65 HB THR 65 76.073 2.736 9.800 492 HG1 THR 65 HG1 THR 65 73.666 3.765 10.139 493 HG21 THR 65 HG21 THR 65 75.000 4.158 7.347 494 HG22 THR 65 HG22 THR 65 76.383 3.064 7.390 495 HG23 THR 65 HG23 THR 65 76.458 4.614 8.229 496 H VAL 66 HN VAL 66 76.064 0.738 10.156 497 HA VAL 66 HA VAL 66 77.787 -0.483 8.490 498 HB VAL 66 HB VAL 66 76.317 -2.191 10.505 499 HG11 VAL 66 HG11 VAL 66 79.273 -2.003 9.887 500 HG12 VAL 66 HG12 VAL 66 78.194 -3.094 9.017 501 HG13 VAL 66 HG13 VAL 66 78.426 -3.284 10.755 502 HG21 VAL 66 HG21 VAL 66 76.679 -0.117 11.655 503 HG22 VAL 66 HG22 VAL 66 78.285 0.068 10.950 504 HG23 VAL 66 HG23 VAL 66 77.988 -1.189 12.152 505 H ILE 67 HN ILE 67 74.930 -2.452 9.345 506 HA ILE 67 HA ILE 67 74.618 -3.084 6.442 507 HB ILE 67 HB ILE 67 74.851 -5.114 8.681 508 HG12 ILE 67 HG12 ILE 67 76.875 -4.071 7.335 509 HG13 ILE 67 HG11 ILE 67 76.814 -5.809 7.633 510 HG21 ILE 67 HG21 ILE 67 73.715 -5.301 5.901 511 HG22 ILE 67 HG22 ILE 67 73.090 -5.984 7.402 512 HG23 ILE 67 HG23 ILE 67 74.503 -6.701 6.628 513 HD11 ILE 67 HD11 ILE 67 75.542 -4.657 5.161 514 HD12 ILE 67 HD12 ILE 67 76.140 -6.293 5.440 515 HD13 ILE 67 HD13 ILE 67 77.278 -4.967 5.203 516 H1U RCY 68 H1U RCY 68 67.084 1.125 1.348 517 H1S RCY 68 H1S RCY 68 69.715 -1.636 3.050 518 HB1 RCY 68 HB1 RCY 68 70.685 -0.131 7.111 519 HB2 RCY 68 HB2 RCY 68 69.217 -0.960 6.599 520 HA RCY 68 HA RCY 68 70.546 -2.235 8.311 521 HN1 RCY 68 HN1 RCY 68 72.728 -1.793 6.479 522 HA PRO 69 HA PRO 69 68.857 -5.986 6.753 523 HB2 PRO 69 HB2 PRO 69 66.125 -5.362 6.925 524 HB3 PRO 69 HB1 PRO 69 67.124 -6.029 8.227 525 HG2 PRO 69 HG2 PRO 69 66.254 -3.242 7.751 526 HG3 PRO 69 HG1 PRO 69 66.549 -4.093 9.275 527 HD2 PRO 69 HD2 PRO 69 68.293 -2.257 8.265 528 HD3 PRO 69 HD1 PRO 69 68.826 -3.642 9.245 529 H TRP 70 HN TRP 70 67.572 -2.975 5.351 530 HA TRP 70 HA TRP 70 66.553 -4.382 2.997 531 HD1 TRP 70 HD1 TRP 70 68.468 -0.314 3.255 532 HE1 TRP 70 HE1 TRP 70 68.552 1.034 5.449 533 HE3 TRP 70 HE3 TRP 70 64.513 -2.399 5.721 534 HZ2 TRP 70 HZ2 TRP 70 67.128 1.206 7.929 535 HZ3 TRP 70 HZ3 TRP 70 63.900 -1.628 7.992 536 HH2 TRP 70 HH2 TRP 70 65.198 0.169 9.099 537 HB2 TRP 70 HB2 TRP 70 66.545 -1.824 2.174 538 HB3 TRP 70 HB1 TRP 70 65.308 -2.465 3.249 539 H GLU 71 HN GLU 71 69.334 -4.890 3.535 540 HA GLU 71 HA GLU 71 70.409 -4.247 0.895 541 HB2 GLU 71 HB2 GLU 71 71.564 -3.008 3.396 542 HB3 GLU 71 HB1 GLU 71 72.545 -3.268 1.957 543 HG2 GLU 71 HG2 GLU 71 70.576 -2.058 0.717 544 HG3 GLU 71 HG1 GLU 71 70.179 -1.449 2.324 545 H ALA 72 HN ALA 72 69.779 -6.660 2.412 546 HA ALA 72 HA ALA 72 72.278 -7.815 3.350 547 HB1 ALA 72 HB1 ALA 72 70.990 -9.944 3.371 548 HB2 ALA 72 HB2 ALA 72 69.653 -9.123 2.565 549 HB3 ALA 72 HB3 ALA 72 70.128 -8.644 4.194 550 H1U RCY 73 H1U RCY 73 70.971 -4.496 -7.540 551 H1S RCY 73 H1S RCY 73 73.199 -4.885 -3.648 552 HB1 RCY 73 HB1 RCY 73 74.278 -7.311 -2.393 553 HB2 RCY 73 HB2 RCY 73 74.655 -6.452 -0.903 554 HA RCY 73 HA RCY 73 72.659 -8.721 -1.190 555 HN1 RCY 73 HN1 RCY 73 73.065 -6.839 1.015 556 H ASN 74 HN ASN 74 73.645 -10.674 -1.124 557 HA ASN 74 HA ASN 74 76.057 -11.093 0.490 558 HB2 ASN 74 HB2 ASN 74 74.415 -12.928 -1.275 559 HB3 ASN 74 HB1 ASN 74 75.831 -13.458 -0.366 560 HD21 ASN 74 HD21 ASN 74 72.567 -13.546 -0.144 561 HD22 ASN 74 HD22 ASN 74 72.370 -13.437 1.539 562 H HIS 75 HN HIS 75 75.654 -9.751 -2.469 563 HA HIS 75 HA HIS 75 78.375 -9.930 -3.228 564 HD1 HIS 75 HD1 HIS 75 79.241 -11.517 -2.108 565 HD2 HIS 75 HD2 HIS 75 79.539 -13.175 -5.924 566 HE1 HIS 75 HE1 HIS 75 81.501 -12.656 -2.219 567 HE2 HIS 75 HE2 HIS 75 81.695 -13.669 -4.537 568 HB2 HIS 75 HB2 HIS 75 76.791 -12.256 -3.952 569 HB3 HIS 75 HB1 HIS 75 77.379 -11.445 -5.401 570 H1U RCY 76 H1U RCY 76 71.137 -1.440 -6.938 571 H1S RCY 76 H1S RCY 76 75.137 -4.063 -6.695 572 HB1 RCY 76 HB1 RCY 76 76.542 -6.203 -6.488 573 HB2 RCY 76 HB2 RCY 76 77.294 -6.675 -4.966 574 HA RCY 76 HA RCY 76 74.413 -7.029 -4.835 575 HN1 RCY 76 HN1 RCY 76 75.348 -8.712 -3.494 576 H GLU 77 HN GLU 77 73.206 -7.234 -6.684 577 HA GLU 77 HA GLU 77 73.357 -9.492 -8.353 578 HB2 GLU 77 HB2 GLU 77 72.114 -6.774 -8.651 579 HB3 GLU 77 HB1 GLU 77 72.133 -7.858 -10.042 580 HG2 GLU 77 HG2 GLU 77 71.170 -8.794 -7.338 581 HG3 GLU 77 HG1 GLU 77 70.085 -7.985 -8.470 582 H LEU 78 HN LEU 78 75.180 -6.526 -8.464 583 HA LEU 78 HA LEU 78 76.259 -7.195 -11.151 584 HG LEU 78 HG LEU 78 78.618 -5.281 -10.919 585 HB2 LEU 78 HB2 LEU 78 75.621 -4.846 -10.698 586 HB3 LEU 78 HB1 LEU 78 76.761 -4.799 -9.355 587 HD11 LEU 78 HD11 LEU 78 77.866 -4.878 -13.429 588 HD12 LEU 78 HD12 LEU 78 76.320 -5.480 -12.831 589 HD13 LEU 78 HD13 LEU 78 77.764 -6.485 -12.711 590 HD21 LEU 78 HD21 LEU 78 77.751 -2.915 -10.423 591 HD22 LEU 78 HD22 LEU 78 76.982 -2.982 -12.009 592 HD23 LEU 78 HD23 LEU 78 78.737 -3.099 -11.873 593 H HIS 79 HN HIS 79 78.554 -7.477 -11.443 594 HA HIS 79 HA HIS 79 80.283 -7.667 -9.082 595 HD1 HIS 79 HD1 HIS 79 81.496 -11.761 -8.848 596 HD2 HIS 79 HD2 HIS 79 79.640 -8.518 -6.995 597 HE1 HIS 79 HE1 HIS 79 82.096 -11.901 -6.391 598 HE2 HIS 79 HE2 HIS 79 80.972 -9.933 -5.252 599 HB2 HIS 79 HB2 HIS 79 78.823 -9.944 -9.841 600 HB3 HIS 79 HB1 HIS 79 80.428 -10.210 -10.516 601 H GLU 80 HN GLU 80 81.723 -6.275 -10.100 602 HA GLU 80 HA GLU 80 82.892 -7.223 -12.693 603 HB2 GLU 80 HB2 GLU 80 81.705 -5.019 -12.809 604 HB3 GLU 80 HB1 GLU 80 82.829 -4.392 -11.603 605 HG2 GLU 80 HG2 GLU 80 83.853 -5.684 -14.125 606 HG3 GLU 80 HG1 GLU 80 83.373 -3.987 -14.116 607 H LEU 81 HN LEU 81 84.025 -4.842 -10.299 608 HA LEU 81 HA LEU 81 86.683 -6.080 -10.367 609 HG LEU 81 HG LEU 81 85.898 -4.255 -7.322 610 HB2 LEU 81 HB2 LEU 81 87.450 -4.164 -9.218 611 HB3 LEU 81 HB1 LEU 81 86.171 -3.550 -10.261 612 HD11 LEU 81 HD11 LEU 81 87.076 -2.126 -7.768 613 HD12 LEU 81 HD12 LEU 81 85.487 -1.839 -7.058 614 HD13 LEU 81 HD13 LEU 81 85.735 -1.603 -8.788 615 HD21 LEU 81 HD21 LEU 81 83.900 -3.384 -9.421 616 HD22 LEU 81 HD22 LEU 81 83.600 -3.175 -7.696 617 HD23 LEU 81 HD23 LEU 81 83.818 -4.793 -8.363 618 H ALA 82 HN ALA 82 84.048 -7.133 -8.922 619 HA ALA 82 HA ALA 82 84.449 -7.306 -6.160 620 HB1 ALA 82 HB1 ALA 82 83.633 -9.676 -7.854 621 HB2 ALA 82 HB2 ALA 82 82.551 -8.322 -7.531 622 HB3 ALA 82 HB3 ALA 82 83.146 -9.313 -6.199 623 H GLN 83 HN GLN 83 86.327 -7.804 -5.128 624 HA GLN 83 HA GLN 83 87.914 -10.119 -6.174 625 HB2 GLN 83 HB2 GLN 83 89.907 -8.806 -5.121 626 HB3 GLN 83 HB1 GLN 83 89.300 -8.300 -6.697 627 HG2 GLN 83 HG2 GLN 83 87.914 -6.570 -5.624 628 HG3 GLN 83 HG1 GLN 83 88.493 -7.082 -4.038 629 HE21 GLN 83 HE21 GLN 83 91.196 -7.590 -5.688 630 HE22 GLN 83 HE22 GLN 83 91.913 -6.051 -5.651 631 H TYR 84 HN TYR 84 87.293 -8.108 -3.261 632 HA TYR 84 HA TYR 84 86.570 -10.131 -1.511 633 HD1 TYR 84 HD1 TYR 84 87.330 -11.374 0.761 634 HD2 TYR 84 HD2 TYR 84 90.920 -9.284 -0.332 635 HE1 TYR 84 HE1 TYR 84 87.966 -11.216 3.153 636 HE2 TYR 84 HE2 TYR 84 91.556 -9.126 2.060 637 HH TYR 84 HH TYR 84 90.930 -10.622 4.230 638 HB2 TYR 84 HB2 TYR 84 88.461 -11.462 -1.641 639 HB3 TYR 84 HB1 TYR 84 89.520 -10.102 -2.011 640 H GLY 85 HN GLY 85 85.502 -8.439 -0.493 641 HA2 GLY 85 HA2 GLY 85 85.823 -7.144 1.662 642 HA3 GLY 85 HA1 GLY 85 87.228 -6.407 0.882 643 H ILE 86 HN ILE 86 85.761 -6.458 -1.711 644 HA ILE 86 HA ILE 86 84.486 -3.840 -1.453 645 HB ILE 86 HB ILE 86 84.036 -4.497 -4.025 646 HG12 ILE 86 HG12 ILE 86 85.787 -5.995 -4.850 647 HG13 ILE 86 HG11 ILE 86 86.401 -6.218 -3.211 648 HG21 ILE 86 HG21 ILE 86 86.339 -3.605 -4.509 649 HG22 ILE 86 HG22 ILE 86 86.697 -3.737 -2.788 650 HG23 ILE 86 HG23 ILE 86 85.435 -2.638 -3.344 651 HD11 ILE 86 HD11 ILE 86 83.573 -6.920 -4.040 652 HD12 ILE 86 HD12 ILE 86 84.375 -7.328 -2.522 653 HD13 ILE 86 HD13 ILE 86 84.899 -8.083 -4.027 654 H1U RCY 87 H1U RCY 87 76.071 1.553 -2.271 655 H1S RCY 87 H1S RCY 87 78.665 -1.464 -4.136 656 HB1 RCY 87 HB1 RCY 87 78.843 -4.457 -3.407 657 HB2 RCY 87 HB2 RCY 87 80.049 -4.536 -4.691 658 HA RCY 87 HA RCY 87 80.349 -5.316 -1.788 659 HN1 RCY 87 HN1 RCY 87 82.476 -4.284 -3.513 Start of MODEL 29 1 HA MET 1 HA MET 1 57.973 -12.647 -9.820 2 HB2 MET 1 HB2 MET 1 60.156 -11.560 -9.249 3 HB3 MET 1 HB1 MET 1 59.278 -10.714 -10.523 4 HG2 MET 1 HG2 MET 1 58.445 -9.075 -8.921 5 HG3 MET 1 HG1 MET 1 59.192 -9.955 -7.588 6 HE1 MET 1 HE1 MET 1 59.558 -8.431 -10.905 7 HE2 MET 1 HE2 MET 1 61.034 -9.335 -11.234 8 HE3 MET 1 HE3 MET 1 61.115 -7.597 -10.959 9 H ASN 2 HN ASN 2 60.056 -12.418 -7.746 10 HA ASN 2 HA ASN 2 58.485 -13.567 -5.521 11 HB2 ASN 2 HB2 ASN 2 61.494 -13.311 -5.670 12 HB3 ASN 2 HB1 ASN 2 60.543 -14.474 -4.746 13 HD21 ASN 2 HD21 ASN 2 60.701 -16.505 -5.695 14 HD22 ASN 2 HD22 ASN 2 60.714 -16.805 -7.366 15 H LEU 3 HN LEU 3 57.855 -12.254 -3.882 16 HA LEU 3 HA LEU 3 59.724 -10.383 -2.667 17 HG LEU 3 HG LEU 3 56.270 -9.198 -3.049 18 HB2 LEU 3 HB2 LEU 3 58.568 -8.330 -3.123 19 HB3 LEU 3 HB1 LEU 3 58.829 -9.116 -4.678 20 HD11 LEU 3 HD11 LEU 3 56.761 -7.045 -4.233 21 HD12 LEU 3 HD12 LEU 3 55.333 -7.867 -4.860 22 HD13 LEU 3 HD13 LEU 3 56.855 -7.943 -5.748 23 HD21 LEU 3 HD21 LEU 3 56.329 -11.267 -4.161 24 HD22 LEU 3 HD22 LEU 3 57.185 -10.602 -5.552 25 HD23 LEU 3 HD23 LEU 3 55.476 -10.240 -5.313 26 H GLU 4 HN GLU 4 58.806 -9.421 -0.696 27 HA GLU 4 HA GLU 4 56.322 -10.801 0.245 28 HB2 GLU 4 HB2 GLU 4 57.659 -10.640 2.555 29 HB3 GLU 4 HB1 GLU 4 57.886 -12.007 1.464 30 HG2 GLU 4 HG2 GLU 4 59.881 -11.039 0.533 31 HG3 GLU 4 HG1 GLU 4 59.592 -9.508 1.360 32 HA PRO 5 HA PRO 5 54.501 -7.019 1.569 33 HB2 PRO 5 HB2 PRO 5 54.915 -8.053 4.359 34 HB3 PRO 5 HB1 PRO 5 53.473 -7.310 3.640 35 HG2 PRO 5 HG2 PRO 5 53.721 -9.966 3.947 36 HG3 PRO 5 HG1 PRO 5 52.831 -9.242 2.599 37 HD2 PRO 5 HD2 PRO 5 55.385 -10.702 2.550 38 HD3 PRO 5 HD1 PRO 5 54.300 -10.295 1.204 39 HA PRO 6 HA PRO 6 58.493 -5.088 2.718 40 HB2 PRO 6 HB2 PRO 6 58.256 -2.880 1.164 41 HB3 PRO 6 HB1 PRO 6 58.727 -4.457 0.501 42 HG2 PRO 6 HG2 PRO 6 56.109 -3.065 0.381 43 HG3 PRO 6 HG1 PRO 6 56.902 -4.091 -0.824 44 HD2 PRO 6 HD2 PRO 6 54.860 -4.922 0.895 45 HD3 PRO 6 HD1 PRO 6 55.972 -6.003 0.029 46 H LYS 7 HN LYS 7 58.752 -3.813 4.508 47 HA LYS 7 HA LYS 7 56.436 -2.230 5.460 48 HB2 LYS 7 HB2 LYS 7 59.090 -2.867 6.789 49 HB3 LYS 7 HB1 LYS 7 57.737 -2.037 7.555 50 HG2 LYS 7 HG2 LYS 7 57.233 -4.174 8.239 51 HG3 LYS 7 HG1 LYS 7 56.436 -4.220 6.666 52 HD2 LYS 7 HD2 LYS 7 57.738 -6.148 6.562 53 HD3 LYS 7 HD1 LYS 7 58.818 -4.969 5.817 54 HE2 LYS 7 HE2 LYS 7 60.201 -6.035 7.396 55 HE3 LYS 7 HE1 LYS 7 59.689 -4.570 8.234 56 HZ1 LYS 7 HZ1 LYS 7 59.495 -6.876 9.388 57 HZ2 LYS 7 HZ2 LYS 7 58.062 -7.001 8.483 58 HZ3 LYS 7 HZ3 LYS 7 58.267 -5.722 9.582 59 H ALA 8 HN ALA 8 56.447 -0.329 4.247 60 HA ALA 8 HA ALA 8 58.554 1.601 4.904 61 HB1 ALA 8 HB1 ALA 8 59.196 2.082 2.610 62 HB2 ALA 8 HB2 ALA 8 58.046 0.892 1.999 63 HB3 ALA 8 HB3 ALA 8 59.459 0.365 2.914 64 H GLU 9 HN GLU 9 57.548 2.955 2.252 65 HA GLU 9 HA GLU 9 54.741 3.487 2.751 66 HB2 GLU 9 HB2 GLU 9 55.132 5.931 3.339 67 HB3 GLU 9 HB1 GLU 9 55.521 4.781 4.618 68 HG2 GLU 9 HG2 GLU 9 57.616 5.729 2.661 69 HG3 GLU 9 HG1 GLU 9 57.256 6.628 4.136 70 H1U RCY 10 H1U RCY 10 56.156 -0.596 0.704 71 H1S RCY 10 H1S RCY 10 54.926 2.966 -1.187 72 HB1 RCY 10 HB1 RCY 10 53.357 6.120 -2.237 73 HB2 RCY 10 HB2 RCY 10 52.666 6.016 -0.618 74 HA RCY 10 HA RCY 10 55.440 5.013 -1.311 75 HN1 RCY 10 HN1 RCY 10 53.895 5.075 1.190 76 H ARG 11 HN ARG 11 54.148 7.584 -2.204 77 HA ARG 11 HA ARG 11 54.753 9.843 -2.340 78 HE ARG 11 HE ARG 11 55.070 10.693 1.954 79 HB2 ARG 11 HB2 ARG 11 55.647 9.667 0.538 80 HB3 ARG 11 HB1 ARG 11 54.926 11.035 -0.310 81 HG2 ARG 11 HG2 ARG 11 52.846 9.543 -0.591 82 HG3 ARG 11 HG1 ARG 11 53.577 8.502 0.630 83 HD2 ARG 11 HD2 ARG 11 52.615 11.341 0.907 84 HD3 ARG 11 HD1 ARG 11 52.244 9.944 1.918 85 HH11 ARG 11 HH21 ARG 11 51.911 11.158 3.253 86 HH12 ARG 11 HH22 ARG 11 52.480 11.746 4.779 87 HH21 ARG 11 HH11 ARG 11 55.832 11.458 3.939 88 HH22 ARG 11 HH12 ARG 11 54.700 11.916 5.168 89 H SER 12 HN SER 12 56.806 7.488 -2.435 90 HA SER 12 HA SER 12 59.293 9.027 -1.889 91 HG SER 12 HG SER 12 61.110 6.015 -2.115 92 HB2 SER 12 HB2 SER 12 59.173 6.689 -1.085 93 HB3 SER 12 HB1 SER 12 58.904 6.138 -2.736 94 H ALA 13 HN ALA 13 61.047 8.630 -3.675 95 HA ALA 13 HA ALA 13 61.715 9.171 -5.859 96 HB1 ALA 13 HB1 ALA 13 60.720 6.863 -6.172 97 HB2 ALA 13 HB2 ALA 13 60.685 7.878 -7.614 98 HB3 ALA 13 HB3 ALA 13 59.220 7.651 -6.660 99 H THR 14 HN THR 14 60.179 11.164 -4.551 100 HA THR 14 HA THR 14 58.224 12.135 -6.551 101 HB THR 14 HB THR 14 59.121 13.318 -3.905 102 HG1 THR 14 HG1 THR 14 57.959 11.384 -3.702 103 HG21 THR 14 HG21 THR 14 57.008 14.112 -5.913 104 HG22 THR 14 HG22 THR 14 58.302 15.107 -5.245 105 HG23 THR 14 HG23 THR 14 56.944 14.627 -4.228 106 H ARG 15 HN ARG 15 61.325 13.143 -5.100 107 HA ARG 15 HA ARG 15 62.013 14.540 -7.594 108 HE ARG 15 HE ARG 15 60.570 18.714 -5.222 109 HB2 ARG 15 HB2 ARG 15 60.665 16.167 -6.141 110 HB3 ARG 15 HB1 ARG 15 62.024 16.122 -5.017 111 HG2 ARG 15 HG2 ARG 15 63.505 16.702 -7.031 112 HG3 ARG 15 HG1 ARG 15 62.008 17.088 -7.880 113 HD2 ARG 15 HD2 ARG 15 62.908 18.322 -5.259 114 HD3 ARG 15 HD1 ARG 15 62.982 19.105 -6.838 115 HH11 ARG 15 HH21 ARG 15 61.966 19.239 -8.330 116 HH12 ARG 15 HH22 ARG 15 60.537 19.954 -8.999 117 HH21 ARG 15 HH11 ARG 15 58.695 19.644 -6.077 118 HH22 ARG 15 HH12 ARG 15 58.685 20.183 -7.723 119 H VAL 16 HN VAL 16 63.149 14.924 -4.237 120 HA VAL 16 HA VAL 16 65.347 14.774 -3.413 121 HB VAL 16 HB VAL 16 64.443 12.443 -3.257 122 HG11 VAL 16 HG11 VAL 16 65.417 10.826 -4.985 123 HG12 VAL 16 HG12 VAL 16 65.771 12.247 -5.968 124 HG13 VAL 16 HG13 VAL 16 64.103 11.859 -5.547 125 HG21 VAL 16 HG21 VAL 16 66.474 11.593 -2.552 126 HG22 VAL 16 HG22 VAL 16 66.931 13.286 -2.740 127 HG23 VAL 16 HG23 VAL 16 67.318 12.122 -4.007 128 H MET 17 HN MET 17 67.698 13.769 -4.251 129 HA MET 17 HA MET 17 69.510 14.348 -5.627 130 HB2 MET 17 HB2 MET 17 67.355 13.781 -7.682 131 HB3 MET 17 HB1 MET 17 69.049 14.048 -8.096 132 HG2 MET 17 HG2 MET 17 68.098 11.923 -6.156 133 HG3 MET 17 HG1 MET 17 68.443 11.620 -7.859 134 HE1 MET 17 HE1 MET 17 70.046 10.276 -5.078 135 HE2 MET 17 HE2 MET 17 71.387 9.911 -6.160 136 HE3 MET 17 HE3 MET 17 69.731 9.784 -6.746 137 H GLY 18 HN GLY 18 67.829 16.525 -4.621 138 HA2 GLY 18 HA2 GLY 18 68.929 18.771 -5.731 139 HA3 GLY 18 HA1 GLY 18 67.576 18.451 -6.815 140 H GLY 19 HN GLY 19 68.478 19.446 -3.586 141 HA2 GLY 19 HA2 GLY 19 66.474 21.182 -3.011 142 HA3 GLY 19 HA1 GLY 19 65.680 19.639 -2.694 143 HA PRO 20 HA PRO 20 67.980 21.426 1.119 144 HB2 PRO 20 HB2 PRO 20 65.432 20.270 2.203 145 HB3 PRO 20 HB1 PRO 20 66.304 21.735 2.697 146 HG2 PRO 20 HG2 PRO 20 64.107 21.859 1.198 147 HG3 PRO 20 HG1 PRO 20 65.456 22.983 0.966 148 HD2 PRO 20 HD2 PRO 20 64.590 20.713 -0.751 149 HD3 PRO 20 HD1 PRO 20 65.466 22.194 -1.194 150 H1U RCY 21 H1U RCY 21 65.586 12.492 -0.208 151 H1S RCY 21 H1S RCY 21 69.158 14.951 1.423 152 HB1 RCY 21 HB1 RCY 21 71.600 17.501 1.600 153 HB2 RCY 21 HB2 RCY 21 70.948 18.161 0.101 154 HA RCY 21 HA RCY 21 68.761 16.880 1.267 155 HN1 RCY 21 HN1 RCY 21 69.470 19.600 0.634 156 H THR 22 HN THR 22 68.030 16.484 3.323 157 HA THR 22 HA THR 22 68.874 17.882 5.663 158 HB THR 22 HB THR 22 66.774 16.599 5.564 159 HG1 THR 22 HG1 THR 22 67.915 16.920 7.576 160 HG21 THR 22 HG21 THR 22 66.677 14.299 5.248 161 HG22 THR 22 HG22 THR 22 68.321 14.046 5.834 162 HG23 THR 22 HG23 THR 22 68.052 14.716 4.225 163 HA PRO 23 HA PRO 23 73.079 16.204 5.865 164 HB2 PRO 23 HB2 PRO 23 72.618 16.938 8.738 165 HB3 PRO 23 HB1 PRO 23 74.020 17.272 7.701 166 HG2 PRO 23 HG2 PRO 23 72.213 19.153 8.257 167 HG3 PRO 23 HG1 PRO 23 72.999 19.058 6.673 168 HD2 PRO 23 HD2 PRO 23 70.198 18.392 7.416 169 HD3 PRO 23 HD1 PRO 23 70.860 18.893 5.845 170 H ARG 24 HN ARG 24 74.158 14.437 7.137 171 HA ARG 24 HA ARG 24 72.395 12.191 7.507 172 HE ARG 24 HE ARG 24 73.505 11.729 5.155 173 HB2 ARG 24 HB2 ARG 24 75.000 12.337 6.964 174 HB3 ARG 24 HB1 ARG 24 75.141 12.222 8.717 175 HG2 ARG 24 HG2 ARG 24 75.069 9.971 8.288 176 HG3 ARG 24 HG1 ARG 24 73.328 10.256 8.277 177 HD2 ARG 24 HD2 ARG 24 75.173 10.174 5.874 178 HD3 ARG 24 HD1 ARG 24 73.895 9.024 6.270 179 HH11 ARG 24 HH21 ARG 24 72.227 8.891 6.639 180 HH12 ARG 24 HH22 ARG 24 70.602 9.190 6.120 181 HH21 ARG 24 HH11 ARG 24 71.390 12.135 4.468 182 HH22 ARG 24 HH12 ARG 24 70.128 11.027 4.891 183 H LYS 25 HN LYS 25 71.899 11.090 9.509 184 HA LYS 25 HA LYS 25 71.499 12.940 11.748 185 HB2 LYS 25 HB2 LYS 25 70.575 10.727 12.807 186 HB3 LYS 25 HB1 LYS 25 69.673 11.494 11.500 187 HG2 LYS 25 HG2 LYS 25 71.782 9.567 10.677 188 HG3 LYS 25 HG1 LYS 25 70.361 8.877 11.462 189 HD2 LYS 25 HD2 LYS 25 68.885 9.831 9.834 190 HD3 LYS 25 HD1 LYS 25 70.170 10.839 9.166 191 HE2 LYS 25 HE2 LYS 25 69.782 8.896 7.715 192 HE3 LYS 25 HE1 LYS 25 71.381 8.796 8.452 193 HZ1 LYS 25 HZ1 LYS 25 70.784 7.058 9.743 194 HZ2 LYS 25 HZ2 LYS 25 69.674 6.791 8.486 195 HZ3 LYS 25 HZ3 LYS 25 69.176 7.571 9.910 196 H GLY 26 HN GLY 26 73.706 13.344 12.375 197 HA2 GLY 26 HA2 GLY 26 74.725 11.967 14.535 198 HA3 GLY 26 HA1 GLY 26 75.443 11.134 13.155 199 HA PRO 27 HA PRO 27 78.089 14.814 14.592 200 HB2 PRO 27 HB2 PRO 27 80.096 12.746 13.778 201 HB3 PRO 27 HB1 PRO 27 80.126 13.862 15.157 202 HG2 PRO 27 HG2 PRO 27 79.541 11.282 15.463 203 HG3 PRO 27 HG1 PRO 27 78.751 12.538 16.431 204 HD2 PRO 27 HD2 PRO 27 77.641 10.920 14.187 205 HD3 PRO 27 HD1 PRO 27 76.806 11.644 15.578 206 HA PRO 28 HA PRO 28 78.807 16.631 10.623 207 HB2 PRO 28 HB2 PRO 28 81.722 16.616 11.342 208 HB3 PRO 28 HB1 PRO 28 80.731 17.936 10.688 209 HG2 PRO 28 HG2 PRO 28 81.389 17.806 13.278 210 HG3 PRO 28 HG1 PRO 28 79.836 18.458 12.731 211 HD2 PRO 28 HD2 PRO 28 80.395 15.921 14.147 212 HD3 PRO 28 HD1 PRO 28 78.873 16.829 14.021 213 H LYS 29 HN LYS 29 78.907 15.602 8.665 214 HA LYS 29 HA LYS 29 79.419 13.970 7.065 215 HB2 LYS 29 HB2 LYS 29 81.862 15.099 8.039 216 HB3 LYS 29 HB1 LYS 29 82.139 13.378 7.799 217 HG2 LYS 29 HG2 LYS 29 82.620 14.399 5.696 218 HG3 LYS 29 HG1 LYS 29 81.028 13.662 5.510 219 HD2 LYS 29 HD2 LYS 29 79.915 15.746 5.717 220 HD3 LYS 29 HD1 LYS 29 81.350 16.538 6.371 221 HE2 LYS 29 HE2 LYS 29 80.690 16.875 3.834 222 HE3 LYS 29 HE1 LYS 29 82.382 16.690 4.294 223 HZ1 LYS 29 HZ1 LYS 29 80.782 14.303 3.681 224 HZ2 LYS 29 HZ2 LYS 29 82.456 14.548 3.525 225 HZ3 LYS 29 HZ3 LYS 29 81.385 15.244 2.405 226 H1U RCY 30 H1U RCY 30 81.488 15.269 4.199 227 H1S RCY 30 H1S RCY 30 80.011 11.120 6.271 228 HB1 RCY 30 HB1 RCY 30 79.651 9.661 8.630 229 HB2 RCY 30 HB2 RCY 30 81.015 8.760 9.290 230 HA RCY 30 HA RCY 30 80.067 10.764 10.667 231 HN1 RCY 30 HN1 RCY 30 81.721 12.714 9.451 232 H LYS 31 HN LYS 31 82.793 9.201 9.379 233 HA LYS 31 HA LYS 31 84.583 10.189 11.546 234 HB2 LYS 31 HB2 LYS 31 83.870 7.281 11.043 235 HB3 LYS 31 HB1 LYS 31 85.171 7.822 12.101 236 HG2 LYS 31 HG2 LYS 31 83.544 7.736 13.707 237 HG3 LYS 31 HG1 LYS 31 83.116 9.322 13.064 238 HD2 LYS 31 HD2 LYS 31 81.544 8.187 11.471 239 HD3 LYS 31 HD1 LYS 31 81.891 6.661 12.285 240 HE2 LYS 31 HE2 LYS 31 80.839 9.122 13.706 241 HE3 LYS 31 HE1 LYS 31 79.811 7.814 13.119 242 HZ1 LYS 31 HZ1 LYS 31 82.026 6.841 14.631 243 HZ2 LYS 31 HZ2 LYS 31 80.365 6.545 14.834 244 HZ3 LYS 31 HZ3 LYS 31 81.079 7.917 15.538 245 H GLN 32 HN GLN 32 86.767 8.700 11.196 246 HA GLN 32 HA GLN 32 87.568 9.338 8.425 247 HB2 GLN 32 HB2 GLN 32 88.970 9.970 10.440 248 HB3 GLN 32 HB1 GLN 32 89.293 8.250 10.658 249 HG2 GLN 32 HG2 GLN 32 90.070 8.242 8.215 250 HG3 GLN 32 HG1 GLN 32 90.057 10.003 8.318 251 HE21 GLN 32 HE21 GLN 32 92.338 7.861 8.213 252 HE22 GLN 32 HE22 GLN 32 93.369 8.337 9.474 253 H ARG 33 HN ARG 33 88.592 6.629 10.449 254 HA ARG 33 HA ARG 33 88.833 4.352 9.944 255 HE ARG 33 HE ARG 33 84.679 3.824 12.304 256 HB2 ARG 33 HB2 ARG 33 86.400 4.911 8.216 257 HB3 ARG 33 HB1 ARG 33 86.965 3.316 8.713 258 HG2 ARG 33 HG2 ARG 33 86.679 3.991 11.094 259 HG3 ARG 33 HG1 ARG 33 86.020 5.535 10.552 260 HD2 ARG 33 HD2 ARG 33 84.116 4.505 9.577 261 HD3 ARG 33 HD1 ARG 33 84.851 2.903 9.641 262 HH11 ARG 33 HH21 ARG 33 82.642 3.068 9.627 263 HH12 ARG 33 HH22 ARG 33 81.305 2.575 10.612 264 HH21 ARG 33 HH11 ARG 33 82.945 3.184 13.606 265 HH22 ARG 33 HH12 ARG 33 81.477 2.640 12.865 266 H GLN 34 HN GLN 34 89.441 2.855 8.164 267 HA GLN 34 HA GLN 34 89.800 3.869 5.475 268 HB2 GLN 34 HB2 GLN 34 91.592 5.093 6.809 269 HB3 GLN 34 HB1 GLN 34 92.334 3.518 7.090 270 HG2 GLN 34 HG2 GLN 34 92.563 3.155 4.685 271 HG3 GLN 34 HG1 GLN 34 91.730 4.675 4.352 272 HE21 GLN 34 HE21 GLN 34 93.068 6.111 6.601 273 HE22 GLN 34 HE22 GLN 34 94.670 6.365 6.102 274 H THR 35 HN THR 35 90.869 1.568 7.947 275 HA THR 35 HA THR 35 91.159 -0.755 7.836 276 HB THR 35 HB THR 35 89.767 -0.723 5.159 277 HG1 THR 35 HG1 THR 35 88.331 0.427 6.228 278 HG21 THR 35 HG21 THR 35 89.000 -2.878 5.822 279 HG22 THR 35 HG22 THR 35 89.456 -2.604 7.503 280 HG23 THR 35 HG23 THR 35 90.703 -2.827 6.276 281 H ARG 36 HN ARG 36 92.317 1.372 5.464 282 HA ARG 36 HA ARG 36 94.159 1.285 4.030 283 HE ARG 36 HE ARG 36 93.488 -0.050 7.692 284 HB2 ARG 36 HB2 ARG 36 94.835 -1.120 5.751 285 HB3 ARG 36 HB1 ARG 36 95.940 -0.348 4.616 286 HG2 ARG 36 HG2 ARG 36 96.410 1.318 6.068 287 HG3 ARG 36 HG1 ARG 36 94.701 1.592 6.410 288 HD2 ARG 36 HD2 ARG 36 96.193 -0.766 7.566 289 HD3 ARG 36 HD1 ARG 36 96.160 0.801 8.376 290 HH11 ARG 36 HH21 ARG 36 96.137 -0.539 9.844 291 HH12 ARG 36 HH22 ARG 36 95.145 -1.080 11.156 292 HH21 ARG 36 HH11 ARG 36 92.176 -0.754 9.393 293 HH22 ARG 36 HH12 ARG 36 92.902 -1.202 10.901 294 H GLN 37 HN GLN 37 92.051 -1.442 4.314 295 HA GLN 37 HA GLN 37 92.051 -1.918 1.497 296 HB2 GLN 37 HB2 GLN 37 94.294 -3.017 2.614 297 HB3 GLN 37 HB1 GLN 37 93.164 -4.359 2.770 298 HG2 GLN 37 HG2 GLN 37 94.110 -4.677 0.631 299 HG3 GLN 37 HG1 GLN 37 92.573 -3.882 0.291 300 HE21 GLN 37 HE21 GLN 37 92.626 -1.733 -0.578 301 HE22 GLN 37 HE22 GLN 37 94.072 -0.950 -1.001 302 H1U RCY 38 H1U RCY 38 81.681 -2.516 -0.058 303 H1S RCY 38 H1S RCY 38 84.948 -4.965 -0.283 304 HB1 RCY 38 HB1 RCY 38 88.127 -2.792 1.366 305 HB2 RCY 38 HB2 RCY 38 87.071 -3.709 2.437 306 HA RCY 38 HA RCY 38 88.948 -4.666 3.268 307 HN1 RCY 38 HN1 RCY 38 90.597 -3.753 0.948 308 H LYS 39 HN LYS 39 91.002 -5.671 1.027 309 HA LYS 39 HA LYS 39 91.444 -7.854 0.255 310 HB2 LYS 39 HB2 LYS 39 89.698 -8.376 2.251 311 HB3 LYS 39 HB1 LYS 39 88.705 -8.857 0.880 312 HG2 LYS 39 HG2 LYS 39 89.842 -10.843 1.340 313 HG3 LYS 39 HG1 LYS 39 90.883 -10.123 0.112 314 HD2 LYS 39 HD2 LYS 39 92.275 -10.876 1.955 315 HD3 LYS 39 HD1 LYS 39 92.258 -9.113 1.949 316 HE2 LYS 39 HE2 LYS 39 91.747 -10.610 4.163 317 HE3 LYS 39 HE1 LYS 39 91.105 -8.986 3.915 318 HZ1 LYS 39 HZ1 LYS 39 89.385 -10.609 4.517 319 HZ2 LYS 39 HZ2 LYS 39 89.731 -11.491 3.107 320 HZ3 LYS 39 HZ3 LYS 39 89.107 -9.915 2.994 321 H SER 40 HN SER 40 91.363 -8.367 -1.881 322 HA SER 40 HA SER 40 89.373 -7.092 -3.583 323 HG SER 40 HG SER 40 92.259 -6.792 -4.944 324 HB2 SER 40 HB2 SER 40 91.407 -9.192 -4.371 325 HB3 SER 40 HB1 SER 40 90.624 -8.015 -5.422 326 H LYS 41 HN LYS 41 89.743 -10.212 -2.087 327 HA LYS 41 HA LYS 41 87.149 -11.025 -3.238 328 HB2 LYS 41 HB2 LYS 41 89.489 -11.955 -4.378 329 HB3 LYS 41 HB1 LYS 41 89.119 -13.226 -3.220 330 HG2 LYS 41 HG2 LYS 41 87.152 -12.126 -5.249 331 HG3 LYS 41 HG1 LYS 41 88.058 -13.627 -5.443 332 HD2 LYS 41 HD2 LYS 41 86.432 -13.202 -2.955 333 HD3 LYS 41 HD1 LYS 41 85.625 -13.698 -4.443 334 HE2 LYS 41 HE2 LYS 41 87.928 -15.138 -3.094 335 HE3 LYS 41 HE1 LYS 41 86.250 -15.679 -3.146 336 HZ1 LYS 41 HZ1 LYS 41 88.293 -15.807 -5.182 337 HZ2 LYS 41 HZ2 LYS 41 86.785 -15.263 -5.742 338 HZ3 LYS 41 HZ3 LYS 41 86.913 -16.769 -4.966 339 HA PRO 42 HA PRO 42 87.622 -12.182 1.190 340 HB2 PRO 42 HB2 PRO 42 85.432 -10.908 2.140 341 HB3 PRO 42 HB1 PRO 42 86.956 -10.054 1.833 342 HG2 PRO 42 HG2 PRO 42 84.455 -10.080 0.247 343 HG3 PRO 42 HG1 PRO 42 85.632 -8.780 0.484 344 HD2 PRO 42 HD2 PRO 42 85.467 -10.461 -1.771 345 HD3 PRO 42 HD1 PRO 42 86.834 -9.405 -1.356 346 HA PRO 43 HA PRO 43 84.701 -15.530 0.886 347 HB2 PRO 43 HB2 PRO 43 84.548 -16.324 3.488 348 HB3 PRO 43 HB1 PRO 43 85.993 -16.588 2.492 349 HG2 PRO 43 HG2 PRO 43 85.474 -14.489 4.538 350 HG3 PRO 43 HG1 PRO 43 86.951 -15.413 4.217 351 HD2 PRO 43 HD2 PRO 43 86.565 -12.834 3.342 352 HD3 PRO 43 HD1 PRO 43 87.625 -14.000 2.518 353 H LYS 44 HN LYS 44 82.518 -15.329 0.580 354 HA LYS 44 HA LYS 44 80.676 -14.775 2.693 355 HB2 LYS 44 HB2 LYS 44 79.828 -12.560 1.788 356 HB3 LYS 44 HB1 LYS 44 81.389 -12.480 2.603 357 HG2 LYS 44 HG2 LYS 44 82.500 -12.699 0.358 358 HG3 LYS 44 HG1 LYS 44 80.906 -12.573 -0.387 359 HD2 LYS 44 HD2 LYS 44 80.636 -10.391 0.940 360 HD3 LYS 44 HD1 LYS 44 82.371 -10.490 1.238 361 HE2 LYS 44 HE2 LYS 44 82.245 -9.185 -0.716 362 HE3 LYS 44 HE1 LYS 44 82.566 -10.803 -1.338 363 HZ1 LYS 44 HZ1 LYS 44 80.700 -10.655 -2.492 364 HZ2 LYS 44 HZ2 LYS 44 80.337 -9.145 -1.804 365 HZ3 LYS 44 HZ3 LYS 44 79.816 -10.573 -1.046 366 H LYS 45 HN LYS 45 81.339 -14.766 -0.776 367 HA LYS 45 HA LYS 45 78.772 -14.834 -1.857 368 HB2 LYS 45 HB2 LYS 45 81.383 -16.056 -2.602 369 HB3 LYS 45 HB1 LYS 45 79.959 -16.742 -3.382 370 HG2 LYS 45 HG2 LYS 45 80.307 -13.756 -3.262 371 HG3 LYS 45 HG1 LYS 45 81.152 -14.692 -4.496 372 HD2 LYS 45 HD2 LYS 45 78.225 -15.178 -4.072 373 HD3 LYS 45 HD1 LYS 45 78.727 -13.745 -4.970 374 HE2 LYS 45 HE2 LYS 45 79.911 -16.421 -5.657 375 HE3 LYS 45 HE1 LYS 45 78.313 -15.989 -6.266 376 HZ1 LYS 45 HZ1 LYS 45 79.514 -15.054 -7.902 377 HZ2 LYS 45 HZ2 LYS 45 80.917 -14.907 -6.955 378 HZ3 LYS 45 HZ3 LYS 45 79.666 -13.767 -6.807 379 H GLY 46 HN GLY 46 77.078 -15.971 -1.044 380 HA2 GLY 46 HA2 GLY 46 76.537 -18.611 -1.267 381 HA3 GLY 46 HA1 GLY 46 77.514 -18.607 0.203 382 H VAL 47 HN VAL 47 75.337 -15.995 -0.733 383 HA VAL 47 HA VAL 47 73.476 -15.102 0.375 384 HB VAL 47 HB VAL 47 72.945 -17.943 1.269 385 HG11 VAL 47 HG11 VAL 47 70.630 -17.248 1.224 386 HG12 VAL 47 HG12 VAL 47 71.057 -15.707 0.481 387 HG13 VAL 47 HG13 VAL 47 71.531 -16.045 2.146 388 HG21 VAL 47 HG21 VAL 47 73.406 -18.072 -1.096 389 HG22 VAL 47 HG22 VAL 47 72.465 -16.614 -1.413 390 HG23 VAL 47 HG23 VAL 47 71.653 -18.096 -0.907 391 H GLN 48 HN GLN 48 74.024 -17.785 2.648 392 HA GLN 48 HA GLN 48 73.813 -16.187 4.969 393 HB2 GLN 48 HB2 GLN 48 73.799 -18.746 4.790 394 HB3 GLN 48 HB1 GLN 48 75.560 -18.648 4.786 395 HG2 GLN 48 HG2 GLN 48 74.954 -18.963 7.069 396 HG3 GLN 48 HG1 GLN 48 75.338 -17.247 6.920 397 HE21 GLN 48 HE21 GLN 48 72.654 -19.557 7.248 398 HE22 GLN 48 HE22 GLN 48 71.487 -18.400 7.672 399 H GLY 49 HN GLY 49 75.070 -14.348 5.104 400 HA2 GLY 49 HA2 GLY 49 77.802 -14.539 5.861 401 HA3 GLY 49 HA1 GLY 49 77.745 -14.096 4.154 402 H1U RCY 50 H1U RCY 50 79.262 -5.062 6.889 403 H1S RCY 50 H1S RCY 50 77.028 -8.474 6.729 404 HB1 RCY 50 HB1 RCY 50 75.611 -11.437 8.253 405 HB2 RCY 50 HB2 RCY 50 75.089 -10.682 6.747 406 HA RCY 50 HA RCY 50 77.335 -10.105 6.151 407 HN1 RCY 50 HN1 RCY 50 78.016 -12.760 7.124 408 H GLY 51 HN GLY 51 79.722 -10.312 6.772 409 HA2 GLY 51 HA2 GLY 51 81.461 -9.720 8.232 410 HA3 GLY 51 HA1 GLY 51 80.230 -8.889 9.185 411 H ASP 52 HN ASP 52 78.974 -10.236 10.724 412 HA ASP 52 HA ASP 52 80.164 -12.854 11.418 413 HB2 ASP 52 HB2 ASP 52 80.316 -12.026 13.860 414 HB3 ASP 52 HB1 ASP 52 81.584 -11.504 12.752 415 H ASP 53 HN ASP 53 78.183 -10.571 13.312 416 HA ASP 53 HA ASP 53 75.715 -12.011 12.712 417 HB2 ASP 53 HB2 ASP 53 75.356 -12.705 15.110 418 HB3 ASP 53 HB1 ASP 53 76.634 -13.602 14.289 419 H ILE 54 HN ILE 54 76.270 -9.347 12.372 420 HA ILE 54 HA ILE 54 74.860 -8.014 14.655 421 HB ILE 54 HB ILE 54 76.768 -6.836 12.616 422 HG12 ILE 54 HG12 ILE 54 77.086 -7.155 15.614 423 HG13 ILE 54 HG11 ILE 54 77.752 -8.293 14.441 424 HG21 ILE 54 HG21 ILE 54 75.162 -5.155 13.186 425 HG22 ILE 54 HG22 ILE 54 76.578 -4.831 14.186 426 HG23 ILE 54 HG23 ILE 54 75.168 -5.629 14.884 427 HD11 ILE 54 HD11 ILE 54 79.388 -6.529 15.184 428 HD12 ILE 54 HD12 ILE 54 78.346 -5.321 14.430 429 HD13 ILE 54 HD13 ILE 54 79.117 -6.562 13.441 430 HA PRO 55 HA PRO 55 71.920 -7.660 11.179 431 HB2 PRO 55 HB2 PRO 55 69.648 -7.717 12.650 432 HB3 PRO 55 HB1 PRO 55 70.574 -9.187 12.289 433 HG2 PRO 55 HG2 PRO 55 70.460 -7.599 14.795 434 HG3 PRO 55 HG1 PRO 55 70.597 -9.349 14.570 435 HD2 PRO 55 HD2 PRO 55 72.726 -7.635 15.165 436 HD3 PRO 55 HD1 PRO 55 72.886 -9.271 14.489 437 H GLY 56 HN GLY 56 73.127 -5.360 11.472 438 HA2 GLY 56 HA2 GLY 56 72.690 -3.055 11.220 439 HA3 GLY 56 HA1 GLY 56 70.989 -3.383 11.554 440 H MET 57 HN MET 57 74.129 -2.781 13.050 441 HA MET 57 HA MET 57 73.256 -2.915 15.776 442 HB2 MET 57 HB2 MET 57 75.666 -2.794 14.870 443 HB3 MET 57 HB1 MET 57 75.410 -1.053 14.760 444 HG2 MET 57 HG2 MET 57 74.693 -1.133 17.206 445 HG3 MET 57 HG1 MET 57 75.314 -2.784 17.240 446 HE1 MET 57 HE1 MET 57 76.608 -1.902 19.233 447 HE2 MET 57 HE2 MET 57 78.332 -1.635 18.991 448 HE3 MET 57 HE3 MET 57 77.576 -3.093 18.355 449 H GLU 58 HN GLU 58 73.060 -0.417 13.319 450 HA GLU 58 HA GLU 58 71.152 1.070 14.976 451 HB2 GLU 58 HB2 GLU 58 73.955 1.875 14.757 452 HB3 GLU 58 HB1 GLU 58 72.874 3.132 14.158 453 HG2 GLU 58 HG2 GLU 58 72.549 1.744 16.834 454 HG3 GLU 58 HG1 GLU 58 73.332 3.310 16.619 455 H GLY 59 HN GLY 59 71.073 3.422 13.465 456 HA2 GLY 59 HA2 GLY 59 69.510 2.781 11.258 457 HA3 GLY 59 HA1 GLY 59 70.433 4.281 11.365 458 H1U RCY 60 H1U RCY 60 74.834 2.698 4.839 459 H1S RCY 60 H1S RCY 60 74.237 2.582 8.816 460 HB1 RCY 60 HB1 RCY 60 73.361 -0.507 8.317 461 HB2 RCY 60 HB2 RCY 60 72.297 -0.685 9.712 462 HA RCY 60 HA RCY 60 72.549 1.898 8.150 463 HN1 RCY 60 HN1 RCY 60 70.258 1.162 9.889 464 H GLY 61 HN GLY 61 69.888 2.081 7.433 465 HA2 GLY 61 HA2 GLY 61 68.372 1.365 5.792 466 HA3 GLY 61 HA1 GLY 61 69.744 0.523 5.070 467 H THR 62 HN THR 62 68.520 -0.108 8.320 468 HA THR 62 HA THR 62 68.338 -2.944 7.786 469 HB THR 62 HB THR 62 67.821 -3.168 10.054 470 HG1 THR 62 HG1 THR 62 66.306 -2.019 10.925 471 HG21 THR 62 HG21 THR 62 68.996 -0.383 10.052 472 HG22 THR 62 HG22 THR 62 69.937 -1.811 9.619 473 HG23 THR 62 HG23 THR 62 69.250 -1.665 11.236 474 H ASP 63 HN ASP 63 66.226 -0.311 7.249 475 HA ASP 63 HA ASP 63 63.666 -1.358 7.659 476 HB2 ASP 63 HB2 ASP 63 64.215 0.930 6.743 477 HB3 ASP 63 HB1 ASP 63 64.520 0.169 5.181 478 H ILE 64 HN ILE 64 66.133 -2.521 5.588 479 HA ILE 64 HA ILE 64 64.227 -4.516 4.464 480 HB ILE 64 HB ILE 64 66.255 -2.919 2.893 481 HG12 ILE 64 HG12 ILE 64 63.760 -2.189 3.387 482 HG13 ILE 64 HG11 ILE 64 64.428 -2.014 1.764 483 HG21 ILE 64 HG21 ILE 64 65.287 -4.431 0.996 484 HG22 ILE 64 HG22 ILE 64 64.863 -5.525 2.312 485 HG23 ILE 64 HG23 ILE 64 66.549 -5.086 2.039 486 HD11 ILE 64 HD11 ILE 64 62.106 -3.169 2.032 487 HD12 ILE 64 HD12 ILE 64 63.043 -4.562 2.574 488 HD13 ILE 64 HD13 ILE 64 63.294 -3.906 0.956 489 H THR 65 HN THR 65 67.610 -3.622 5.037 490 HA THR 65 HA THR 65 69.418 -4.948 5.692 491 HB THR 65 HB THR 65 67.519 -7.244 6.140 492 HG1 THR 65 HG1 THR 65 67.731 -5.836 8.338 493 HG21 THR 65 HG21 THR 65 70.055 -7.369 6.480 494 HG22 THR 65 HG22 THR 65 69.058 -7.845 7.855 495 HG23 THR 65 HG23 THR 65 69.822 -6.255 7.828 496 H VAL 66 HN VAL 66 67.350 -7.549 4.379 497 HA VAL 66 HA VAL 66 69.314 -8.878 2.945 498 HB VAL 66 HB VAL 66 67.179 -9.120 1.216 499 HG11 VAL 66 HG11 VAL 66 68.343 -10.951 2.376 500 HG12 VAL 66 HG12 VAL 66 66.598 -11.112 2.570 501 HG13 VAL 66 HG13 VAL 66 67.579 -10.487 3.896 502 HG21 VAL 66 HG21 VAL 66 66.002 -8.661 3.968 503 HG22 VAL 66 HG22 VAL 66 65.136 -8.949 2.459 504 HG23 VAL 66 HG23 VAL 66 65.987 -7.425 2.711 505 H ILE 67 HN ILE 67 67.025 -6.943 1.000 506 HA ILE 67 HA ILE 67 69.389 -5.672 -0.319 507 HB ILE 67 HB ILE 67 67.068 -7.039 -1.707 508 HG12 ILE 67 HG12 ILE 67 70.050 -7.546 -1.914 509 HG13 ILE 67 HG11 ILE 67 68.987 -8.453 -0.837 510 HG21 ILE 67 HG21 ILE 67 68.436 -6.362 -3.776 511 HG22 ILE 67 HG22 ILE 67 69.258 -5.217 -2.716 512 HG23 ILE 67 HG23 ILE 67 67.520 -5.082 -2.980 513 HD11 ILE 67 HD11 ILE 67 67.620 -9.153 -2.765 514 HD12 ILE 67 HD12 ILE 67 69.301 -9.640 -2.982 515 HD13 ILE 67 HD13 ILE 67 68.670 -8.238 -3.846 516 H1U RCY 68 H1U RCY 68 73.054 -3.987 -3.020 517 H1S RCY 68 H1S RCY 68 70.075 -2.599 0.129 518 HB1 RCY 68 HB1 RCY 68 68.299 -1.889 2.082 519 HB2 RCY 68 HB2 RCY 68 67.185 -0.621 1.575 520 HA RCY 68 HA RCY 68 66.216 -2.514 0.603 521 HN1 RCY 68 HN1 RCY 68 68.830 -3.686 0.742 522 HA PRO 69 HA PRO 69 65.678 -1.227 -3.595 523 HB2 PRO 69 HB2 PRO 69 65.285 1.488 -2.376 524 HB3 PRO 69 HB1 PRO 69 64.299 0.645 -3.587 525 HG2 PRO 69 HG2 PRO 69 63.589 0.774 -1.005 526 HG3 PRO 69 HG1 PRO 69 63.221 -0.628 -2.021 527 HD2 PRO 69 HD2 PRO 69 65.143 -0.407 0.209 528 HD3 PRO 69 HD1 PRO 69 64.431 -1.861 -0.522 529 H TRP 70 HN TRP 70 67.714 0.798 -1.491 530 HA TRP 70 HA TRP 70 69.084 2.085 -3.708 531 HD1 TRP 70 HD1 TRP 70 69.519 4.601 -3.522 532 HE1 TRP 70 HE1 TRP 70 67.814 6.408 -2.841 533 HE3 TRP 70 HE3 TRP 70 67.811 2.595 0.851 534 HZ2 TRP 70 HZ2 TRP 70 65.965 6.935 -0.717 535 HZ3 TRP 70 HZ3 TRP 70 66.082 3.766 2.181 536 HH2 TRP 70 HH2 TRP 70 65.157 5.930 1.406 537 HB2 TRP 70 HB2 TRP 70 69.595 1.909 -0.738 538 HB3 TRP 70 HB1 TRP 70 70.745 2.688 -1.822 539 H GLU 71 HN GLU 71 69.058 -0.851 -3.810 540 HA GLU 71 HA GLU 71 72.001 -1.251 -4.019 541 HB2 GLU 71 HB2 GLU 71 70.064 -3.038 -2.531 542 HB3 GLU 71 HB1 GLU 71 71.630 -3.610 -3.104 543 HG2 GLU 71 HG2 GLU 71 71.297 -1.168 -1.343 544 HG3 GLU 71 HG1 GLU 71 71.624 -2.782 -0.710 545 H ALA 72 HN ALA 72 68.817 -1.703 -5.182 546 HA ALA 72 HA ALA 72 69.389 -3.936 -6.959 547 HB1 ALA 72 HB1 ALA 72 67.087 -3.427 -6.208 548 HB2 ALA 72 HB2 ALA 72 67.206 -3.384 -7.967 549 HB3 ALA 72 HB3 ALA 72 67.159 -1.879 -7.050 550 H1U RCY 73 H1U RCY 73 73.942 -5.528 -5.761 551 H1S RCY 73 H1S RCY 73 72.261 -2.179 -7.251 552 HB1 RCY 73 HB1 RCY 73 71.547 1.546 -8.234 553 HB2 RCY 73 HB2 RCY 73 72.871 0.778 -9.111 554 HA RCY 73 HA RCY 73 70.309 0.099 -9.538 555 HN1 RCY 73 HN1 RCY 73 70.692 -0.973 -6.943 556 H ASN 74 HN ASN 74 70.223 -1.620 -11.059 557 HA ASN 74 HA ASN 74 71.117 -3.123 -12.621 558 HB2 ASN 74 HB2 ASN 74 72.702 -1.085 -12.828 559 HB3 ASN 74 HB1 ASN 74 73.842 -2.049 -11.888 560 HD21 ASN 74 HD21 ASN 74 72.155 -4.366 -13.464 561 HD22 ASN 74 HD22 ASN 74 73.074 -4.504 -14.885 562 H HIS 75 HN HIS 75 73.709 -4.409 -12.499 563 HA HIS 75 HA HIS 75 73.323 -6.096 -10.050 564 HD1 HIS 75 HD1 HIS 75 75.458 -4.999 -12.769 565 HD2 HIS 75 HD2 HIS 75 73.469 -8.118 -14.698 566 HE1 HIS 75 HE1 HIS 75 75.974 -4.758 -15.237 567 HE2 HIS 75 HE2 HIS 75 74.769 -6.651 -16.422 568 HB2 HIS 75 HB2 HIS 75 74.441 -7.892 -11.500 569 HB3 HIS 75 HB1 HIS 75 72.794 -7.443 -11.945 570 H1U RCY 76 H1U RCY 76 82.574 -5.121 -3.346 571 H1S RCY 76 H1S RCY 76 79.173 -3.351 -6.085 572 HB1 RCY 76 HB1 RCY 76 77.081 -5.716 -7.233 573 HB2 RCY 76 HB2 RCY 76 76.723 -4.398 -8.347 574 HA RCY 76 HA RCY 76 77.887 -5.830 -10.143 575 HN1 RCY 76 HN1 RCY 76 75.394 -7.170 -9.323 576 H GLU 77 HN GLU 77 76.350 -8.575 -9.483 577 HA GLU 77 HA GLU 77 77.831 -10.012 -7.580 578 HB2 GLU 77 HB2 GLU 77 76.798 -11.006 -10.256 579 HB3 GLU 77 HB1 GLU 77 77.274 -12.032 -8.902 580 HG2 GLU 77 HG2 GLU 77 75.125 -9.904 -8.720 581 HG3 GLU 77 HG1 GLU 77 74.792 -11.606 -9.044 582 H LEU 78 HN LEU 78 78.557 -9.689 -11.076 583 HA LEU 78 HA LEU 78 81.185 -10.929 -10.713 584 HG LEU 78 HG LEU 78 80.972 -12.408 -12.579 585 HB2 LEU 78 HB2 LEU 78 79.719 -9.681 -13.036 586 HB3 LEU 78 HB1 LEU 78 81.435 -10.070 -13.163 587 HD11 LEU 78 HD11 LEU 78 79.127 -12.392 -11.142 588 HD12 LEU 78 HD12 LEU 78 78.412 -12.990 -12.639 589 HD13 LEU 78 HD13 LEU 78 78.206 -11.301 -12.177 590 HD21 LEU 78 HD21 LEU 78 80.775 -11.572 -14.967 591 HD22 LEU 78 HD22 LEU 78 79.030 -11.504 -14.724 592 HD23 LEU 78 HD23 LEU 78 79.873 -13.049 -14.627 593 H HIS 79 HN HIS 79 79.870 -7.798 -10.362 594 HA HIS 79 HA HIS 79 80.889 -5.775 -9.769 595 HD1 HIS 79 HD1 HIS 79 81.259 -4.483 -8.550 596 HD2 HIS 79 HD2 HIS 79 85.276 -5.540 -8.177 597 HE1 HIS 79 HE1 HIS 79 82.400 -2.551 -7.375 598 HE2 HIS 79 HE2 HIS 79 84.847 -3.182 -7.142 599 HB2 HIS 79 HB2 HIS 79 82.473 -7.480 -8.568 600 HB3 HIS 79 HB1 HIS 79 83.592 -7.102 -9.878 601 H GLU 80 HN GLU 80 83.217 -7.461 -11.928 602 HA GLU 80 HA GLU 80 83.995 -5.140 -13.356 603 HB2 GLU 80 HB2 GLU 80 84.515 -6.842 -15.230 604 HB3 GLU 80 HB1 GLU 80 85.335 -7.064 -13.684 605 HG2 GLU 80 HG2 GLU 80 83.943 -8.859 -13.061 606 HG3 GLU 80 HG1 GLU 80 82.702 -8.423 -14.237 607 H LEU 81 HN LEU 81 80.978 -6.662 -13.290 608 HA LEU 81 HA LEU 81 80.230 -5.928 -16.047 609 HG LEU 81 HG LEU 81 78.053 -8.700 -15.805 610 HB2 LEU 81 HB2 LEU 81 79.126 -7.575 -13.901 611 HB3 LEU 81 HB1 LEU 81 77.894 -6.531 -14.606 612 HD11 LEU 81 HD11 LEU 81 77.570 -7.649 -17.752 613 HD12 LEU 81 HD12 LEU 81 79.181 -6.940 -17.861 614 HD13 LEU 81 HD13 LEU 81 77.935 -6.154 -16.891 615 HD21 LEU 81 HD21 LEU 81 80.696 -8.601 -15.334 616 HD22 LEU 81 HD22 LEU 81 80.690 -7.911 -16.957 617 HD23 LEU 81 HD23 LEU 81 80.023 -9.520 -16.680 618 H ALA 82 HN ALA 82 80.202 -4.534 -12.887 619 HA ALA 82 HA ALA 82 78.042 -2.766 -12.941 620 HB1 ALA 82 HB1 ALA 82 79.438 -1.242 -11.576 621 HB2 ALA 82 HB2 ALA 82 80.872 -2.167 -12.024 622 HB3 ALA 82 HB3 ALA 82 79.610 -2.916 -11.048 623 H GLN 83 HN GLN 83 78.184 -0.329 -13.432 624 HA GLN 83 HA GLN 83 79.989 0.368 -15.657 625 HB2 GLN 83 HB2 GLN 83 77.852 -0.825 -16.543 626 HB3 GLN 83 HB1 GLN 83 77.020 0.667 -16.104 627 HG2 GLN 83 HG2 GLN 83 78.459 1.969 -17.555 628 HG3 GLN 83 HG1 GLN 83 79.472 0.563 -17.885 629 HE21 GLN 83 HE21 GLN 83 78.834 -0.803 -19.597 630 HE22 GLN 83 HE22 GLN 83 77.371 -0.647 -20.442 631 H TYR 84 HN TYR 84 77.515 1.250 -13.325 632 HA TYR 84 HA TYR 84 77.209 3.988 -13.769 633 HD1 TYR 84 HD2 TYR 84 75.376 1.535 -13.126 634 HD2 TYR 84 HD1 TYR 84 75.376 5.251 -10.970 635 HE1 TYR 84 HE2 TYR 84 72.944 1.780 -13.548 636 HE2 TYR 84 HE1 TYR 84 72.944 5.495 -11.393 637 HH TYR 84 HH TYR 84 71.298 3.803 -13.683 638 HB2 TYR 84 HB2 TYR 84 77.209 2.254 -11.343 639 HB3 TYR 84 HB1 TYR 84 77.336 3.992 -11.069 640 H GLY 85 HN GLY 85 80.045 2.276 -12.641 641 HA2 GLY 85 HA2 GLY 85 82.006 4.013 -13.319 642 HA3 GLY 85 HA1 GLY 85 81.406 4.765 -11.841 643 H ILE 86 HN ILE 86 81.643 1.289 -12.521 644 HA ILE 86 HA ILE 86 82.772 -0.405 -11.364 645 HB ILE 86 HB ILE 86 84.816 1.771 -10.824 646 HG12 ILE 86 HG12 ILE 86 84.027 1.290 -13.279 647 HG13 ILE 86 HG11 ILE 86 85.755 1.349 -12.931 648 HG21 ILE 86 HG21 ILE 86 85.345 -0.125 -9.498 649 HG22 ILE 86 HG22 ILE 86 86.339 -0.303 -10.944 650 HG23 ILE 86 HG23 ILE 86 84.861 -1.249 -10.768 651 HD11 ILE 86 HD11 ILE 86 84.295 -1.264 -12.698 652 HD12 ILE 86 HD12 ILE 86 85.997 -0.968 -13.052 653 HD13 ILE 86 HD13 ILE 86 84.775 -0.678 -14.290 654 H1U RCY 87 H1U RCY 87 82.065 -1.503 -1.949 655 H1S RCY 87 H1S RCY 87 81.183 2.250 -4.600 656 HB1 RCY 87 HB1 RCY 87 83.173 4.038 -7.662 657 HB2 RCY 87 HB2 RCY 87 84.542 3.202 -6.929 658 HA RCY 87 HA RCY 87 83.362 1.117 -6.889 659 HN1 RCY 87 HN1 RCY 87 83.741 2.400 -9.371 Start of MODEL 30 1 HA MET 1 HA MET 1 57.677 -1.431 12.882 2 HB2 MET 1 HB2 MET 1 56.327 -1.426 15.130 3 HB3 MET 1 HB1 MET 1 54.962 -1.876 14.110 4 HG2 MET 1 HG2 MET 1 56.399 -3.741 13.174 5 HG3 MET 1 HG1 MET 1 57.583 -3.361 14.426 6 HE1 MET 1 HE1 MET 1 56.720 -6.164 14.318 7 HE2 MET 1 HE2 MET 1 56.240 -6.547 15.970 8 HE3 MET 1 HE3 MET 1 57.642 -5.519 15.682 9 H ASN 2 HN ASN 2 55.964 0.546 11.214 10 HA ASN 2 HA ASN 2 54.996 -1.520 9.335 11 HB2 ASN 2 HB2 ASN 2 53.177 0.725 10.254 12 HB3 ASN 2 HB1 ASN 2 52.776 -0.575 9.131 13 HD21 ASN 2 HD21 ASN 2 53.412 -2.890 10.257 14 HD22 ASN 2 HD22 ASN 2 52.784 -3.070 11.824 15 H LEU 3 HN LEU 3 56.787 1.128 9.839 16 HA LEU 3 HA LEU 3 56.088 3.012 7.855 17 HG LEU 3 HG LEU 3 57.127 4.705 9.090 18 HB2 LEU 3 HB2 LEU 3 58.729 2.128 9.013 19 HB3 LEU 3 HB1 LEU 3 58.677 3.328 7.721 20 HD11 LEU 3 HD11 LEU 3 56.027 3.099 10.458 21 HD12 LEU 3 HD12 LEU 3 57.027 4.034 11.569 22 HD13 LEU 3 HD13 LEU 3 57.554 2.435 11.040 23 HD21 LEU 3 HD21 LEU 3 58.817 5.307 10.869 24 HD22 LEU 3 HD22 LEU 3 59.488 5.218 9.240 25 HD23 LEU 3 HD23 LEU 3 59.751 3.895 10.376 26 H GLU 4 HN GLU 4 58.661 0.556 7.423 27 HA GLU 4 HA GLU 4 58.676 0.759 4.581 28 HB2 GLU 4 HB2 GLU 4 59.666 -1.270 6.565 29 HB3 GLU 4 HB1 GLU 4 59.690 -1.671 4.849 30 HG2 GLU 4 HG2 GLU 4 61.825 -0.628 5.649 31 HG3 GLU 4 HG1 GLU 4 61.046 0.286 4.356 32 HA PRO 5 HA PRO 5 55.076 -1.442 3.304 33 HB2 PRO 5 HB2 PRO 5 56.091 -2.880 1.147 34 HB3 PRO 5 HB1 PRO 5 55.603 -1.176 1.090 35 HG2 PRO 5 HG2 PRO 5 58.314 -2.359 1.343 36 HG3 PRO 5 HG1 PRO 5 57.785 -0.914 0.465 37 HD2 PRO 5 HD2 PRO 5 59.077 -0.763 2.855 38 HD3 PRO 5 HD1 PRO 5 57.855 0.431 2.360 39 HA PRO 6 HA PRO 6 55.019 -5.515 5.005 40 HB2 PRO 6 HB2 PRO 6 53.272 -6.832 3.317 41 HB3 PRO 6 HB1 PRO 6 52.768 -5.687 4.574 42 HG2 PRO 6 HG2 PRO 6 53.076 -5.262 1.648 43 HG3 PRO 6 HG1 PRO 6 51.847 -4.635 2.759 44 HD2 PRO 6 HD2 PRO 6 53.928 -3.111 1.879 45 HD3 PRO 6 HD1 PRO 6 53.194 -2.888 3.483 46 H LYS 7 HN LYS 7 55.525 -7.839 4.547 47 HA LYS 7 HA LYS 7 56.838 -8.393 1.955 48 HB2 LYS 7 HB2 LYS 7 58.844 -9.303 3.406 49 HB3 LYS 7 HB1 LYS 7 58.775 -7.590 2.990 50 HG2 LYS 7 HG2 LYS 7 57.860 -7.022 5.141 51 HG3 LYS 7 HG1 LYS 7 57.620 -8.721 5.550 52 HD2 LYS 7 HD2 LYS 7 60.080 -9.070 5.438 53 HD3 LYS 7 HD1 LYS 7 60.290 -7.349 5.115 54 HE2 LYS 7 HE2 LYS 7 60.618 -7.860 7.515 55 HE3 LYS 7 HE1 LYS 7 59.229 -6.801 7.266 56 HZ1 LYS 7 HZ1 LYS 7 58.617 -9.618 7.157 57 HZ2 LYS 7 HZ2 LYS 7 57.813 -8.360 7.968 58 HZ3 LYS 7 HZ3 LYS 7 59.176 -9.093 8.670 59 H ALA 8 HN ALA 8 55.640 -10.207 1.491 60 HA ALA 8 HA ALA 8 54.839 -12.089 3.572 61 HB1 ALA 8 HB1 ALA 8 53.724 -13.279 1.830 62 HB2 ALA 8 HB2 ALA 8 54.750 -12.564 0.587 63 HB3 ALA 8 HB3 ALA 8 53.552 -11.573 1.419 64 H GLU 9 HN GLU 9 57.317 -11.971 1.039 65 HA GLU 9 HA GLU 9 59.009 -13.818 2.466 66 HB2 GLU 9 HB2 GLU 9 57.338 -15.434 1.587 67 HB3 GLU 9 HB1 GLU 9 57.686 -14.879 -0.051 68 HG2 GLU 9 HG2 GLU 9 59.920 -15.699 0.034 69 HG3 GLU 9 HG1 GLU 9 59.849 -15.926 1.782 70 H1U RCY 10 H1U RCY 10 65.879 -11.765 -1.329 71 H1S RCY 10 H1S RCY 10 62.573 -14.748 -1.457 72 HB1 RCY 10 HB1 RCY 10 60.709 -12.767 -3.830 73 HB2 RCY 10 HB2 RCY 10 59.167 -13.436 -3.294 74 HA RCY 10 HA RCY 10 61.403 -12.840 -1.351 75 HN1 RCY 10 HN1 RCY 10 58.662 -13.772 -1.057 76 H ARG 11 HN ARG 11 59.725 -10.979 0.078 77 HA ARG 11 HA ARG 11 59.164 -8.699 0.092 78 HE ARG 11 HE ARG 11 63.622 -7.286 -1.691 79 HB2 ARG 11 HB2 ARG 11 61.584 -8.524 -0.377 80 HB3 ARG 11 HB1 ARG 11 61.256 -8.651 -2.106 81 HG2 ARG 11 HG2 ARG 11 60.113 -6.566 -2.151 82 HG3 ARG 11 HG1 ARG 11 59.983 -6.512 -0.392 83 HD2 ARG 11 HD2 ARG 11 61.792 -5.028 -1.440 84 HD3 ARG 11 HD1 ARG 11 62.313 -6.088 -0.130 85 HH11 ARG 11 HH21 ARG 11 61.277 -5.269 -3.214 86 HH12 ARG 11 HH22 ARG 11 61.893 -5.534 -4.812 87 HH21 ARG 11 HH11 ARG 11 64.439 -7.643 -3.768 88 HH22 ARG 11 HH12 ARG 11 63.683 -6.878 -5.125 89 H SER 12 HN SER 12 57.056 -8.569 -0.658 90 HA SER 12 HA SER 12 55.290 -8.289 -2.185 91 HG SER 12 HG SER 12 55.595 -5.690 -4.481 92 HB2 SER 12 HB2 SER 12 56.693 -6.157 -2.419 93 HB3 SER 12 HB1 SER 12 57.365 -6.882 -3.877 94 H ALA 13 HN ALA 13 56.162 -7.903 -5.165 95 HA ALA 13 HA ALA 13 57.076 -10.594 -5.891 96 HB1 ALA 13 HB1 ALA 13 54.675 -10.977 -5.435 97 HB2 ALA 13 HB2 ALA 13 55.038 -11.175 -7.150 98 HB3 ALA 13 HB3 ALA 13 54.259 -9.700 -6.578 99 H THR 14 HN THR 14 56.982 -7.368 -6.423 100 HA THR 14 HA THR 14 58.112 -7.663 -9.110 101 HB THR 14 HB THR 14 55.769 -5.781 -8.851 102 HG1 THR 14 HG1 THR 14 54.566 -7.488 -8.739 103 HG21 THR 14 HG21 THR 14 55.773 -5.953 -11.281 104 HG22 THR 14 HG22 THR 14 57.017 -7.201 -11.220 105 HG23 THR 14 HG23 THR 14 57.398 -5.551 -10.728 106 H ARG 15 HN ARG 15 59.156 -6.761 -6.603 107 HA ARG 15 HA ARG 15 60.286 -4.935 -5.643 108 HE ARG 15 HE ARG 15 63.671 -7.087 -9.757 109 HB2 ARG 15 HB2 ARG 15 60.410 -4.183 -8.580 110 HB3 ARG 15 HB1 ARG 15 61.402 -3.462 -7.311 111 HG2 ARG 15 HG2 ARG 15 62.499 -5.539 -6.859 112 HG3 ARG 15 HG1 ARG 15 61.340 -6.440 -7.837 113 HD2 ARG 15 HD2 ARG 15 62.136 -5.306 -9.863 114 HD3 ARG 15 HD1 ARG 15 63.264 -4.351 -8.901 115 HH11 ARG 15 HH21 ARG 15 64.195 -4.787 -7.242 116 HH12 ARG 15 HH22 ARG 15 65.630 -5.558 -6.655 117 HH21 ARG 15 HH11 ARG 15 65.542 -8.106 -9.004 118 HH22 ARG 15 HH12 ARG 15 66.393 -7.437 -7.653 119 H VAL 16 HN VAL 16 58.680 -3.875 -4.460 120 HA VAL 16 HA VAL 16 56.491 -2.417 -5.341 121 HB VAL 16 HB VAL 16 56.691 -1.085 -3.272 122 HG11 VAL 16 HG11 VAL 16 56.640 -2.935 -1.715 123 HG12 VAL 16 HG12 VAL 16 57.590 -3.942 -2.807 124 HG13 VAL 16 HG13 VAL 16 55.939 -3.492 -3.234 125 HG21 VAL 16 HG21 VAL 16 58.714 -1.511 -1.826 126 HG22 VAL 16 HG22 VAL 16 59.064 -0.598 -3.293 127 HG23 VAL 16 HG23 VAL 16 59.462 -2.314 -3.206 128 H MET 17 HN MET 17 59.795 -1.677 -5.898 129 HA MET 17 HA MET 17 59.085 0.633 -7.502 130 HB2 MET 17 HB2 MET 17 59.077 1.550 -5.135 131 HB3 MET 17 HB1 MET 17 60.799 1.177 -5.065 132 HG2 MET 17 HG2 MET 17 60.584 3.488 -5.732 133 HG3 MET 17 HG1 MET 17 61.102 2.572 -7.147 134 HE1 MET 17 HE1 MET 17 57.186 2.801 -5.673 135 HE2 MET 17 HE2 MET 17 57.164 4.506 -6.117 136 HE3 MET 17 HE3 MET 17 58.436 3.892 -5.063 137 H GLY 18 HN GLY 18 60.326 -0.053 -9.207 138 HA2 GLY 18 HA2 GLY 18 63.227 0.069 -8.944 139 HA3 GLY 18 HA1 GLY 18 62.634 -1.566 -9.243 140 H GLY 19 HN GLY 19 61.764 1.675 -10.506 141 HA2 GLY 19 HA2 GLY 19 61.242 0.607 -13.150 142 HA3 GLY 19 HA1 GLY 19 61.297 2.318 -12.724 143 HA PRO 20 HA PRO 20 64.903 1.143 -15.569 144 HB2 PRO 20 HB2 PRO 20 64.298 4.008 -16.216 145 HB3 PRO 20 HB1 PRO 20 64.736 2.675 -17.303 146 HG2 PRO 20 HG2 PRO 20 62.226 3.538 -17.099 147 HG3 PRO 20 HG1 PRO 20 62.604 1.824 -17.337 148 HD2 PRO 20 HD2 PRO 20 61.617 3.206 -14.891 149 HD3 PRO 20 HD1 PRO 20 61.404 1.516 -15.397 150 H1U RCY 21 H1U RCY 21 63.435 3.136 -9.969 151 H1S RCY 21 H1S RCY 21 65.453 1.556 -11.768 152 HB1 RCY 21 HB1 RCY 21 69.146 1.972 -11.692 153 HB2 RCY 21 HB2 RCY 21 68.398 0.743 -12.712 154 HA RCY 21 HA RCY 21 67.007 3.358 -12.125 155 HN1 RCY 21 HN1 RCY 21 66.300 1.074 -13.687 156 H THR 22 HN THR 22 67.518 5.157 -13.403 157 HA THR 22 HA THR 22 69.663 4.864 -15.437 158 HB THR 22 HB THR 22 69.067 7.370 -15.790 159 HG1 THR 22 HG1 THR 22 66.767 7.602 -15.082 160 HG21 THR 22 HG21 THR 22 68.390 5.770 -17.426 161 HG22 THR 22 HG22 THR 22 66.937 6.685 -17.020 162 HG23 THR 22 HG23 THR 22 67.182 5.074 -16.346 163 HA PRO 23 HA PRO 23 73.072 6.306 -13.033 164 HB2 PRO 23 HB2 PRO 23 73.141 8.630 -14.937 165 HB3 PRO 23 HB1 PRO 23 74.468 7.593 -14.379 166 HG2 PRO 23 HG2 PRO 23 73.322 7.284 -16.783 167 HG3 PRO 23 HG1 PRO 23 73.960 5.920 -15.852 168 HD2 PRO 23 HD2 PRO 23 71.152 6.609 -16.445 169 HD3 PRO 23 HD1 PRO 23 71.842 5.060 -15.915 170 H ARG 24 HN ARG 24 71.757 9.413 -14.182 171 HA ARG 24 HA ARG 24 71.016 11.288 -12.990 172 HE ARG 24 HE ARG 24 70.094 10.075 -14.980 173 HB2 ARG 24 HB2 ARG 24 70.043 9.199 -11.019 174 HB3 ARG 24 HB1 ARG 24 69.459 10.855 -11.164 175 HG2 ARG 24 HG2 ARG 24 69.307 8.784 -13.374 176 HG3 ARG 24 HG1 ARG 24 67.968 9.207 -12.305 177 HD2 ARG 24 HD2 ARG 24 67.524 10.638 -14.068 178 HD3 ARG 24 HD1 ARG 24 68.574 11.674 -13.101 179 HH11 ARG 24 HH21 ARG 24 68.094 12.852 -14.566 180 HH12 ARG 24 HH22 ARG 24 68.784 13.714 -15.900 181 HH21 ARG 24 HH11 ARG 24 71.008 11.185 -16.725 182 HH22 ARG 24 HH12 ARG 24 70.434 12.770 -17.123 183 H LYS 25 HN LYS 25 71.587 12.647 -11.197 184 HA LYS 25 HA LYS 25 73.113 11.729 -8.943 185 HB2 LYS 25 HB2 LYS 25 75.311 12.713 -9.610 186 HB3 LYS 25 HB1 LYS 25 74.863 11.317 -10.589 187 HG2 LYS 25 HG2 LYS 25 73.727 13.268 -12.070 188 HG3 LYS 25 HG1 LYS 25 75.056 14.185 -11.359 189 HD2 LYS 25 HD2 LYS 25 76.654 12.467 -12.140 190 HD3 LYS 25 HD1 LYS 25 75.324 11.569 -12.872 191 HE2 LYS 25 HE2 LYS 25 75.963 14.444 -13.575 192 HE3 LYS 25 HE1 LYS 25 76.601 13.066 -14.472 193 HZ1 LYS 25 HZ1 LYS 25 74.569 12.544 -15.307 194 HZ2 LYS 25 HZ2 LYS 25 74.354 14.221 -15.141 195 HZ3 LYS 25 HZ3 LYS 25 73.721 13.161 -13.974 196 H GLY 26 HN GLY 26 72.722 14.465 -11.203 197 HA2 GLY 26 HA2 GLY 26 72.318 16.736 -10.780 198 HA3 GLY 26 HA1 GLY 26 71.397 16.162 -9.390 199 HA PRO 27 HA PRO 27 75.168 18.905 -8.227 200 HB2 PRO 27 HB2 PRO 27 72.973 19.642 -6.320 201 HB3 PRO 27 HB1 PRO 27 74.214 20.673 -7.061 202 HG2 PRO 27 HG2 PRO 27 71.703 20.638 -7.959 203 HG3 PRO 27 HG1 PRO 27 73.084 20.835 -9.051 204 HD2 PRO 27 HD2 PRO 27 71.291 18.496 -8.708 205 HD3 PRO 27 HD1 PRO 27 72.283 18.962 -10.106 206 HA PRO 28 HA PRO 28 76.216 15.572 -5.338 207 HB2 PRO 28 HB2 PRO 28 78.109 17.699 -4.400 208 HB3 PRO 28 HB1 PRO 28 78.425 15.991 -4.763 209 HG2 PRO 28 HG2 PRO 28 79.111 17.937 -6.457 210 HG3 PRO 28 HG1 PRO 28 78.548 16.357 -7.026 211 HD2 PRO 28 HD2 PRO 28 77.146 18.978 -7.085 212 HD3 PRO 28 HD1 PRO 28 76.925 17.556 -8.128 213 H LYS 29 HN LYS 29 75.204 15.141 -3.420 214 HA LYS 29 HA LYS 29 75.198 16.931 -1.173 215 HB2 LYS 29 HB2 LYS 29 73.549 18.133 -2.611 216 HB3 LYS 29 HB1 LYS 29 72.555 16.677 -2.644 217 HG2 LYS 29 HG2 LYS 29 72.107 16.797 -0.316 218 HG3 LYS 29 HG1 LYS 29 73.408 17.956 -0.044 219 HD2 LYS 29 HD2 LYS 29 71.312 18.785 -1.977 220 HD3 LYS 29 HD1 LYS 29 70.814 18.690 -0.287 221 HE2 LYS 29 HE2 LYS 29 71.737 20.943 -1.002 222 HE3 LYS 29 HE1 LYS 29 72.538 20.220 0.393 223 HZ1 LYS 29 HZ1 LYS 29 73.495 20.031 -2.413 224 HZ2 LYS 29 HZ2 LYS 29 74.278 19.406 -1.041 225 HZ3 LYS 29 HZ3 LYS 29 74.119 21.086 -1.240 226 H1U RCY 30 H1U RCY 30 77.954 7.839 -1.541 227 H1S RCY 30 H1S RCY 30 77.459 11.870 0.932 228 HB1 RCY 30 HB1 RCY 30 75.416 13.068 -0.128 229 HB2 RCY 30 HB2 RCY 30 74.176 11.859 0.198 230 HA RCY 30 HA RCY 30 72.710 13.528 0.589 231 HN1 RCY 30 HN1 RCY 30 74.352 15.870 0.691 232 H LYS 31 HN LYS 31 71.806 13.446 2.587 233 HA LYS 31 HA LYS 31 72.802 15.080 4.746 234 HB2 LYS 31 HB2 LYS 31 70.698 12.897 4.673 235 HB3 LYS 31 HB1 LYS 31 71.012 13.915 6.079 236 HG2 LYS 31 HG2 LYS 31 70.323 15.884 4.946 237 HG3 LYS 31 HG1 LYS 31 70.405 15.101 3.368 238 HD2 LYS 31 HD2 LYS 31 68.063 15.345 4.164 239 HD3 LYS 31 HD1 LYS 31 68.519 13.653 3.958 240 HE2 LYS 31 HE2 LYS 31 67.289 14.295 6.140 241 HE3 LYS 31 HE1 LYS 31 68.743 13.307 6.286 242 HZ1 LYS 31 HZ1 LYS 31 69.047 16.217 6.324 243 HZ2 LYS 31 HZ2 LYS 31 69.944 15.021 7.132 244 HZ3 LYS 31 HZ3 LYS 31 68.411 15.471 7.709 245 H GLN 32 HN GLN 32 71.867 12.110 6.039 246 HA GLN 32 HA GLN 32 73.040 10.491 7.262 247 HB2 GLN 32 HB2 GLN 32 73.922 10.117 4.857 248 HB3 GLN 32 HB1 GLN 32 75.369 10.968 5.400 249 HG2 GLN 32 HG2 GLN 32 75.453 9.330 7.348 250 HG3 GLN 32 HG1 GLN 32 74.212 8.401 6.507 251 HE21 GLN 32 HE21 GLN 32 77.541 9.679 6.108 252 HE22 GLN 32 HE22 GLN 32 78.018 8.515 4.969 253 H ARG 33 HN ARG 33 74.702 10.321 8.893 254 HA ARG 33 HA ARG 33 76.744 12.326 9.234 255 HE ARG 33 HE ARG 33 72.429 14.814 10.117 256 HB2 ARG 33 HB2 ARG 33 75.791 13.529 11.142 257 HB3 ARG 33 HB1 ARG 33 74.735 13.712 9.741 258 HG2 ARG 33 HG2 ARG 33 73.421 11.716 10.624 259 HG3 ARG 33 HG1 ARG 33 74.353 11.874 12.114 260 HD2 ARG 33 HD2 ARG 33 72.384 13.137 12.509 261 HD3 ARG 33 HD1 ARG 33 73.610 14.340 12.111 262 HH11 ARG 33 HH21 ARG 33 71.407 11.870 11.593 263 HH12 ARG 33 HH22 ARG 33 70.055 11.652 10.533 264 HH21 ARG 33 HH11 ARG 33 70.669 14.547 8.724 265 HH22 ARG 33 HH12 ARG 33 69.637 13.168 8.908 266 H GLN 34 HN GLN 34 75.726 9.361 9.634 267 HA GLN 34 HA GLN 34 76.335 8.825 12.428 268 HB2 GLN 34 HB2 GLN 34 74.908 7.417 10.748 269 HB3 GLN 34 HB1 GLN 34 76.460 6.754 10.239 270 HG2 GLN 34 HG2 GLN 34 75.639 5.296 11.956 271 HG3 GLN 34 HG1 GLN 34 76.919 6.258 12.695 272 HE21 GLN 34 HE21 GLN 34 73.549 7.273 11.971 273 HE22 GLN 34 HE22 GLN 34 73.138 7.599 13.586 274 H THR 35 HN THR 35 78.207 7.427 13.070 275 HA THR 35 HA THR 35 80.691 8.538 12.212 276 HB THR 35 HB THR 35 80.430 5.815 13.493 277 HG1 THR 35 HG1 THR 35 79.837 6.730 15.323 278 HG21 THR 35 HG21 THR 35 82.658 6.942 12.797 279 HG22 THR 35 HG22 THR 35 82.532 6.304 14.436 280 HG23 THR 35 HG23 THR 35 82.358 8.035 14.149 281 H ARG 36 HN ARG 36 81.591 5.425 12.177 282 HA ARG 36 HA ARG 36 80.831 4.592 9.510 283 HE ARG 36 HE ARG 36 84.273 6.041 7.520 284 HB2 ARG 36 HB2 ARG 36 82.938 4.951 8.370 285 HB3 ARG 36 HB1 ARG 36 82.395 6.501 9.014 286 HG2 ARG 36 HG2 ARG 36 83.823 5.904 11.094 287 HG3 ARG 36 HG1 ARG 36 84.582 4.701 10.051 288 HD2 ARG 36 HD2 ARG 36 84.519 7.701 9.682 289 HD3 ARG 36 HD1 ARG 36 85.931 6.660 9.854 290 HH11 ARG 36 HH21 ARG 36 86.863 7.867 8.878 291 HH12 ARG 36 HH22 ARG 36 87.643 8.142 7.356 292 HH21 ARG 36 HH11 ARG 36 85.276 6.390 5.525 293 HH22 ARG 36 HH12 ARG 36 86.745 7.306 5.458 294 H GLN 37 HN GLN 37 81.115 3.524 12.253 295 HA GLN 37 HA GLN 37 83.397 1.705 12.212 296 HB2 GLN 37 HB2 GLN 37 80.938 1.922 13.962 297 HB3 GLN 37 HB1 GLN 37 82.147 0.656 14.176 298 HG2 GLN 37 HG2 GLN 37 83.899 2.426 14.394 299 HG3 GLN 37 HG1 GLN 37 82.627 3.646 14.315 300 HE21 GLN 37 HE21 GLN 37 81.674 4.210 16.286 301 HE22 GLN 37 HE22 GLN 37 81.802 3.304 17.716 302 H1U RCY 38 H1U RCY 38 83.808 -4.018 3.663 303 H1S RCY 38 H1S RCY 38 80.554 -3.327 6.750 304 HB1 RCY 38 HB1 RCY 38 82.748 -1.280 9.391 305 HB2 RCY 38 HB2 RCY 38 81.024 -0.940 9.250 306 HA RCY 38 HA RCY 38 80.553 -1.902 11.372 307 HN1 RCY 38 HN1 RCY 38 82.923 -0.736 12.441 308 H LYS 39 HN LYS 39 80.843 -3.621 12.762 309 HA LYS 39 HA LYS 39 83.477 -4.982 12.847 310 HB2 LYS 39 HB2 LYS 39 82.239 -4.481 14.964 311 HB3 LYS 39 HB1 LYS 39 80.950 -5.557 14.428 312 HG2 LYS 39 HG2 LYS 39 83.671 -6.717 14.312 313 HG3 LYS 39 HG1 LYS 39 83.074 -6.375 15.937 314 HD2 LYS 39 HD2 LYS 39 81.276 -7.763 13.975 315 HD3 LYS 39 HD1 LYS 39 82.524 -8.689 14.809 316 HE2 LYS 39 HE2 LYS 39 81.647 -7.827 16.985 317 HE3 LYS 39 HE1 LYS 39 80.338 -7.036 16.106 318 HZ1 LYS 39 HZ1 LYS 39 79.460 -9.072 16.776 319 HZ2 LYS 39 HZ2 LYS 39 80.877 -9.928 16.392 320 HZ3 LYS 39 HZ3 LYS 39 79.881 -9.329 15.153 321 H SER 40 HN SER 40 80.430 -5.260 11.306 322 HA SER 40 HA SER 40 80.153 -8.071 11.051 323 HG SER 40 HG SER 40 79.462 -6.935 7.715 324 HB2 SER 40 HB2 SER 40 78.311 -6.938 10.209 325 HB3 SER 40 HB1 SER 40 79.297 -5.707 9.426 326 H LYS 41 HN LYS 41 81.130 -9.573 9.729 327 HA LYS 41 HA LYS 41 83.091 -8.614 7.697 328 HB2 LYS 41 HB2 LYS 41 84.706 -10.329 8.499 329 HB3 LYS 41 HB1 LYS 41 84.388 -9.088 9.710 330 HG2 LYS 41 HG2 LYS 41 82.415 -10.989 10.197 331 HG3 LYS 41 HG1 LYS 41 83.838 -11.959 9.813 332 HD2 LYS 41 HD2 LYS 41 85.142 -10.581 11.461 333 HD3 LYS 41 HD1 LYS 41 83.633 -9.792 11.923 334 HE2 LYS 41 HE2 LYS 41 84.062 -11.610 13.479 335 HE3 LYS 41 HE1 LYS 41 82.686 -12.049 12.467 336 HZ1 LYS 41 HZ1 LYS 41 85.452 -12.835 11.776 337 HZ2 LYS 41 HZ2 LYS 41 83.994 -13.479 11.188 338 HZ3 LYS 41 HZ3 LYS 41 84.478 -13.787 12.788 339 HA PRO 42 HA PRO 42 80.527 -12.004 5.981 340 HB2 PRO 42 HB2 PRO 42 80.301 -11.004 3.463 341 HB3 PRO 42 HB1 PRO 42 79.293 -10.439 4.809 342 HG2 PRO 42 HG2 PRO 42 81.659 -9.161 3.556 343 HG3 PRO 42 HG1 PRO 42 80.196 -8.423 4.225 344 HD2 PRO 42 HD2 PRO 42 82.656 -8.564 5.537 345 HD3 PRO 42 HD1 PRO 42 81.090 -8.288 6.331 346 HA PRO 43 HA PRO 43 83.784 -14.274 4.007 347 HB2 PRO 43 HB2 PRO 43 82.389 -15.999 2.421 348 HB3 PRO 43 HB1 PRO 43 82.414 -16.128 4.191 349 HG2 PRO 43 HG2 PRO 43 80.321 -14.972 2.416 350 HG3 PRO 43 HG1 PRO 43 80.145 -15.970 3.869 351 HD2 PRO 43 HD2 PRO 43 79.823 -13.243 3.875 352 HD3 PRO 43 HD1 PRO 43 80.357 -14.165 5.298 353 H LYS 44 HN LYS 44 85.134 -13.556 2.418 354 HA LYS 44 HA LYS 44 84.200 -13.347 -0.347 355 HB2 LYS 44 HB2 LYS 44 84.418 -10.982 1.364 356 HB3 LYS 44 HB1 LYS 44 85.468 -10.859 -0.046 357 HG2 LYS 44 HG2 LYS 44 82.601 -11.750 -0.330 358 HG3 LYS 44 HG1 LYS 44 83.016 -10.036 -0.283 359 HD2 LYS 44 HD2 LYS 44 84.363 -10.201 -2.237 360 HD3 LYS 44 HD1 LYS 44 84.384 -11.963 -2.166 361 HE2 LYS 44 HE2 LYS 44 82.044 -12.088 -2.736 362 HE3 LYS 44 HE1 LYS 44 81.858 -10.342 -2.575 363 HZ1 LYS 44 HZ1 LYS 44 82.259 -10.300 -4.753 364 HZ2 LYS 44 HZ2 LYS 44 82.877 -11.882 -4.777 365 HZ3 LYS 44 HZ3 LYS 44 83.883 -10.581 -4.351 366 H LYS 45 HN LYS 45 86.900 -11.538 1.045 367 HA LYS 45 HA LYS 45 88.839 -13.647 0.539 368 HB2 LYS 45 HB2 LYS 45 88.068 -12.248 -1.706 369 HB3 LYS 45 HB1 LYS 45 89.466 -11.317 -1.171 370 HG2 LYS 45 HG2 LYS 45 89.469 -14.329 -1.525 371 HG3 LYS 45 HG1 LYS 45 90.059 -13.190 -2.736 372 HD2 LYS 45 HD2 LYS 45 91.754 -12.359 -1.214 373 HD3 LYS 45 HD1 LYS 45 91.101 -13.329 0.107 374 HE2 LYS 45 HE2 LYS 45 93.128 -14.340 -0.999 375 HE3 LYS 45 HE1 LYS 45 91.706 -15.384 -1.014 376 HZ1 LYS 45 HZ1 LYS 45 93.023 -15.066 -3.176 377 HZ2 LYS 45 HZ2 LYS 45 92.251 -13.555 -3.261 378 HZ3 LYS 45 HZ3 LYS 45 91.330 -14.983 -3.244 379 H GLY 46 HN GLY 46 88.894 -10.067 0.351 380 HA2 GLY 46 HA2 GLY 46 91.167 -9.989 2.197 381 HA3 GLY 46 HA1 GLY 46 90.381 -8.591 1.462 382 H VAL 47 HN VAL 47 91.095 -9.356 4.356 383 HA VAL 47 HA VAL 47 88.510 -9.569 5.692 384 HB VAL 47 HB VAL 47 91.046 -8.632 7.025 385 HG11 VAL 47 HG11 VAL 47 90.125 -9.705 8.940 386 HG12 VAL 47 HG12 VAL 47 88.961 -10.606 7.969 387 HG13 VAL 47 HG13 VAL 47 88.767 -8.867 8.188 388 HG21 VAL 47 HG21 VAL 47 91.810 -10.481 5.687 389 HG22 VAL 47 HG22 VAL 47 90.366 -11.423 6.061 390 HG23 VAL 47 HG23 VAL 47 91.561 -11.104 7.318 391 H GLN 48 HN GLN 48 89.748 -7.431 7.664 392 HA GLN 48 HA GLN 48 89.513 -4.905 6.314 393 HB2 GLN 48 HB2 GLN 48 87.278 -4.336 7.563 394 HB3 GLN 48 HB1 GLN 48 87.207 -5.206 6.030 395 HG2 GLN 48 HG2 GLN 48 86.859 -7.296 7.111 396 HG3 GLN 48 HG1 GLN 48 87.330 -6.649 8.682 397 HE21 GLN 48 HE21 GLN 48 85.004 -5.489 6.170 398 HE22 GLN 48 HE22 GLN 48 83.695 -5.351 7.241 399 H GLY 49 HN GLY 49 87.786 -5.035 9.284 400 HA2 GLY 49 HA2 GLY 49 88.657 -4.908 11.544 401 HA3 GLY 49 HA1 GLY 49 90.255 -4.571 10.877 402 H1U RCY 50 H1U RCY 50 82.830 3.006 5.332 403 H1S RCY 50 H1S RCY 50 85.539 0.310 7.245 404 HB1 RCY 50 HB1 RCY 50 87.109 -0.988 8.056 405 HB2 RCY 50 HB2 RCY 50 88.699 -0.228 8.122 406 HA RCY 50 HA RCY 50 88.766 -0.334 10.499 407 HN1 RCY 50 HN1 RCY 50 87.885 -2.843 9.224 408 H GLY 51 HN GLY 51 87.619 -0.950 12.559 409 HA2 GLY 51 HA2 GLY 51 85.578 0.484 13.416 410 HA3 GLY 51 HA1 GLY 51 84.663 -0.648 12.419 411 H ASP 52 HN ASP 52 83.785 -0.938 14.804 412 HA ASP 52 HA ASP 52 84.774 -3.509 15.721 413 HB2 ASP 52 HB2 ASP 52 86.414 -1.876 16.746 414 HB3 ASP 52 HB1 ASP 52 85.062 -1.189 17.647 415 H ASP 53 HN ASP 53 82.290 -1.755 15.016 416 HA ASP 53 HA ASP 53 80.458 -3.168 16.743 417 HB2 ASP 53 HB2 ASP 53 81.356 -1.289 18.237 418 HB3 ASP 53 HB1 ASP 53 80.513 -0.173 17.162 419 H ILE 54 HN ILE 54 78.139 -2.225 16.364 420 HA ILE 54 HA ILE 54 77.941 -1.577 13.467 421 HB ILE 54 HB ILE 54 75.760 -2.461 15.377 422 HG12 ILE 54 HG12 ILE 54 76.084 -4.674 14.124 423 HG13 ILE 54 HG11 ILE 54 77.626 -4.017 13.572 424 HG21 ILE 54 HG21 ILE 54 75.168 -1.249 13.204 425 HG22 ILE 54 HG22 ILE 54 74.458 -2.850 13.412 426 HG23 ILE 54 HG23 ILE 54 75.857 -2.636 12.359 427 HD11 ILE 54 HD11 ILE 54 77.287 -5.398 15.916 428 HD12 ILE 54 HD12 ILE 54 77.150 -3.728 16.469 429 HD13 ILE 54 HD13 ILE 54 78.598 -4.258 15.613 430 HA PRO 55 HA PRO 55 76.819 2.499 15.155 431 HB2 PRO 55 HB2 PRO 55 77.351 3.951 12.932 432 HB3 PRO 55 HB1 PRO 55 78.640 3.334 13.984 433 HG2 PRO 55 HG2 PRO 55 77.686 2.297 11.368 434 HG3 PRO 55 HG1 PRO 55 79.330 2.381 12.019 435 HD2 PRO 55 HD2 PRO 55 77.752 0.086 12.005 436 HD3 PRO 55 HD1 PRO 55 79.141 0.353 13.081 437 H GLY 56 HN GLY 56 75.740 1.231 12.011 438 HA2 GLY 56 HA2 GLY 56 73.493 3.030 11.763 439 HA3 GLY 56 HA1 GLY 56 73.712 1.532 10.857 440 H MET 57 HN MET 57 73.683 -0.429 12.687 441 HA MET 57 HA MET 57 72.137 -1.750 13.870 442 HB2 MET 57 HB2 MET 57 71.516 0.801 15.371 443 HB3 MET 57 HB1 MET 57 71.493 -0.855 15.980 444 HG2 MET 57 HG2 MET 57 73.968 -0.975 15.548 445 HG3 MET 57 HG1 MET 57 73.930 0.743 15.148 446 HE1 MET 57 HE1 MET 57 73.119 -1.981 17.411 447 HE2 MET 57 HE2 MET 57 71.849 -1.114 18.271 448 HE3 MET 57 HE3 MET 57 73.392 -1.422 19.066 449 H GLU 58 HN GLU 58 70.857 -1.581 11.731 450 HA GLU 58 HA GLU 58 68.834 -1.186 10.592 451 HB2 GLU 58 HB2 GLU 58 68.250 -2.628 12.678 452 HB3 GLU 58 HB1 GLU 58 67.561 -1.141 13.328 453 HG2 GLU 58 HG2 GLU 58 66.218 -0.937 11.195 454 HG3 GLU 58 HG1 GLU 58 66.777 -2.554 10.766 455 H GLY 59 HN GLY 59 70.302 1.190 11.206 456 HA2 GLY 59 HA2 GLY 59 68.046 3.117 11.279 457 HA3 GLY 59 HA1 GLY 59 69.368 3.359 12.422 458 H1U RCY 60 H1U RCY 60 70.818 7.488 3.172 459 H1S RCY 60 H1S RCY 60 73.909 5.442 5.724 460 HB1 RCY 60 HB1 RCY 60 71.770 2.809 7.092 461 HB2 RCY 60 HB2 RCY 60 71.961 2.964 8.838 462 HA RCY 60 HA RCY 60 70.420 5.167 8.236 463 HN1 RCY 60 HN1 RCY 60 68.841 2.843 8.920 464 H GLY 61 HN GLY 61 67.840 3.741 7.638 465 HA2 GLY 61 HA2 GLY 61 68.064 2.903 4.844 466 HA3 GLY 61 HA1 GLY 61 66.566 3.061 5.760 467 H THR 62 HN THR 62 68.682 5.771 5.885 468 HA THR 62 HA THR 62 66.729 7.342 4.313 469 HB THR 62 HB THR 62 68.224 9.271 5.099 470 HG1 THR 62 HG1 THR 62 69.174 7.571 7.067 471 HG21 THR 62 HG21 THR 62 67.340 9.127 7.433 472 HG22 THR 62 HG22 THR 62 66.876 7.455 7.116 473 HG23 THR 62 HG23 THR 62 66.120 8.767 6.210 474 H ASP 63 HN ASP 63 70.083 6.268 4.172 475 HA ASP 63 HA ASP 63 70.821 7.900 1.906 476 HB2 ASP 63 HB2 ASP 63 72.052 5.231 2.601 477 HB3 ASP 63 HB1 ASP 63 72.828 6.638 1.870 478 H ILE 64 HN ILE 64 68.285 6.334 1.697 479 HA ILE 64 HA ILE 64 68.927 4.685 -0.710 480 HB ILE 64 HB ILE 64 67.835 3.548 1.301 481 HG12 ILE 64 HG12 ILE 64 66.311 3.610 -1.325 482 HG13 ILE 64 HG11 ILE 64 67.727 2.614 -0.983 483 HG21 ILE 64 HG21 ILE 64 65.367 5.017 0.358 484 HG22 ILE 64 HG22 ILE 64 66.345 5.604 1.703 485 HG23 ILE 64 HG23 ILE 64 65.560 4.028 1.805 486 HD11 ILE 64 HD11 ILE 64 64.994 2.442 0.305 487 HD12 ILE 64 HD12 ILE 64 66.414 1.628 0.962 488 HD13 ILE 64 HD13 ILE 64 65.818 1.205 -0.643 489 H THR 65 HN THR 65 66.699 7.037 0.684 490 HA THR 65 HA THR 65 65.319 7.496 -1.855 491 HB THR 65 HB THR 65 65.356 9.110 0.715 492 HG1 THR 65 HG1 THR 65 64.209 7.516 1.413 493 HG21 THR 65 HG21 THR 65 63.542 9.136 -1.710 494 HG22 THR 65 HG22 THR 65 64.553 10.456 -1.121 495 HG23 THR 65 HG23 THR 65 63.152 9.934 -0.186 496 H VAL 66 HN VAL 66 68.107 8.686 -0.180 497 HA VAL 66 HA VAL 66 68.262 11.088 -1.910 498 HB VAL 66 HB VAL 66 70.260 10.328 0.213 499 HG11 VAL 66 HG11 VAL 66 69.194 12.983 -0.797 500 HG12 VAL 66 HG12 VAL 66 70.716 12.247 -1.297 501 HG13 VAL 66 HG13 VAL 66 70.494 12.766 0.374 502 HG21 VAL 66 HG21 VAL 66 68.156 10.122 1.357 503 HG22 VAL 66 HG22 VAL 66 67.513 11.558 0.560 504 HG23 VAL 66 HG23 VAL 66 68.793 11.715 1.763 505 H ILE 67 HN ILE 67 70.382 8.300 -1.007 506 HA ILE 67 HA ILE 67 71.572 8.588 -3.749 507 HB ILE 67 HB ILE 67 73.134 8.306 -1.173 508 HG12 ILE 67 HG12 ILE 67 72.294 10.594 -1.778 509 HG13 ILE 67 HG11 ILE 67 74.054 10.475 -1.784 510 HG21 ILE 67 HG21 ILE 67 74.343 6.991 -2.692 511 HG22 ILE 67 HG22 ILE 67 75.067 8.584 -2.914 512 HG23 ILE 67 HG23 ILE 67 73.877 7.987 -4.071 513 HD11 ILE 67 HD11 ILE 67 72.216 11.014 -4.004 514 HD12 ILE 67 HD12 ILE 67 73.381 9.741 -4.366 515 HD13 ILE 67 HD13 ILE 67 73.945 11.338 -3.874 516 H1U RCY 68 H1U RCY 68 71.900 6.031 1.983 517 H1S RCY 68 H1S RCY 68 70.809 2.332 -0.695 518 HB1 RCY 68 HB1 RCY 68 68.995 3.879 -4.540 519 HB2 RCY 68 HB2 RCY 68 69.038 4.817 -3.049 520 HA RCY 68 HA RCY 68 71.705 4.184 -3.423 521 HN1 RCY 68 HN1 RCY 68 70.468 6.710 -4.420 522 HA PRO 69 HA PRO 69 72.756 2.871 -7.490 523 HB2 PRO 69 HB2 PRO 69 70.200 1.324 -7.812 524 HB3 PRO 69 HB1 PRO 69 71.862 0.847 -8.220 525 HG2 PRO 69 HG2 PRO 69 70.702 -0.028 -6.004 526 HG3 PRO 69 HG1 PRO 69 72.411 0.439 -6.003 527 HD2 PRO 69 HD2 PRO 69 70.073 1.870 -4.821 528 HD3 PRO 69 HD1 PRO 69 71.778 1.882 -4.315 529 H TRP 70 HN TRP 70 69.426 4.053 -7.197 530 HA TRP 70 HA TRP 70 69.294 4.734 -10.044 531 HD1 TRP 70 HD1 TRP 70 69.145 6.374 -6.629 532 HE1 TRP 70 HE1 TRP 70 68.112 6.037 -4.293 533 HE3 TRP 70 HE3 TRP 70 64.992 3.681 -7.882 534 HZ2 TRP 70 HZ2 TRP 70 65.822 4.788 -3.108 535 HZ3 TRP 70 HZ3 TRP 70 63.405 2.932 -6.136 536 HH2 TRP 70 HH2 TRP 70 63.812 3.480 -3.754 537 HB2 TRP 70 HB2 TRP 70 67.221 6.068 -9.216 538 HB3 TRP 70 HB1 TRP 70 67.165 4.310 -9.165 539 H GLU 71 HN GLU 71 71.086 5.995 -7.623 540 HA GLU 71 HA GLU 71 71.240 8.625 -8.981 541 HB2 GLU 71 HB2 GLU 71 70.616 8.224 -6.046 542 HB3 GLU 71 HB1 GLU 71 71.303 9.725 -6.667 543 HG2 GLU 71 HG2 GLU 71 69.401 10.007 -8.181 544 HG3 GLU 71 HG1 GLU 71 68.725 8.466 -7.652 545 H ALA 72 HN ALA 72 72.699 5.953 -7.644 546 HA ALA 72 HA ALA 72 75.082 7.216 -6.546 547 HB1 ALA 72 HB1 ALA 72 74.083 4.833 -6.083 548 HB2 ALA 72 HB2 ALA 72 75.833 5.043 -6.112 549 HB3 ALA 72 HB3 ALA 72 75.003 4.370 -7.515 550 H1U RCY 73 H1U RCY 73 74.160 3.547 -4.924 551 H1S RCY 73 H1S RCY 73 78.465 2.880 -7.041 552 HB1 RCY 73 HB1 RCY 73 79.354 5.607 -8.938 553 HB2 RCY 73 HB2 RCY 73 79.312 5.128 -10.634 554 HA RCY 73 HA RCY 73 77.727 6.999 -10.090 555 HN1 RCY 73 HN1 RCY 73 76.850 5.225 -7.985 556 H ASN 74 HN ASN 74 76.167 3.788 -10.105 557 HA ASN 74 HA ASN 74 74.547 4.347 -12.383 558 HB2 ASN 74 HB2 ASN 74 75.797 2.713 -13.952 559 HB3 ASN 74 HB1 ASN 74 76.459 4.339 -13.785 560 HD21 ASN 74 HD21 ASN 74 78.590 4.519 -12.999 561 HD22 ASN 74 HD22 ASN 74 79.494 3.217 -12.392 562 H HIS 75 HN HIS 75 76.044 1.281 -12.641 563 HA HIS 75 HA HIS 75 73.634 -0.046 -11.673 564 HD1 HIS 75 HD1 HIS 75 72.871 -0.870 -14.018 565 HD2 HIS 75 HD2 HIS 75 76.916 -0.442 -14.941 566 HE1 HIS 75 HE1 HIS 75 72.980 -0.196 -16.457 567 HE2 HIS 75 HE2 HIS 75 75.437 0.068 -17.032 568 HB2 HIS 75 HB2 HIS 75 76.304 -1.293 -12.389 569 HB3 HIS 75 HB1 HIS 75 74.738 -2.101 -12.326 570 H1U RCY 76 H1U RCY 76 74.044 -3.587 -0.678 571 H1S RCY 76 H1S RCY 76 73.361 -1.883 -5.020 572 HB1 RCY 76 HB1 RCY 76 74.630 -3.028 -7.674 573 HB2 RCY 76 HB2 RCY 76 74.157 -1.360 -7.993 574 HA RCY 76 HA RCY 76 76.789 -1.014 -8.179 575 HN1 RCY 76 HN1 RCY 76 75.872 -2.143 -10.663 576 H GLU 77 HN GLU 77 78.699 -2.114 -8.800 577 HA GLU 77 HA GLU 77 78.720 -4.945 -9.412 578 HB2 GLU 77 HB2 GLU 77 81.051 -3.277 -8.435 579 HB3 GLU 77 HB1 GLU 77 81.115 -4.747 -9.407 580 HG2 GLU 77 HG2 GLU 77 80.010 -3.599 -11.268 581 HG3 GLU 77 HG1 GLU 77 79.859 -2.134 -10.297 582 H LEU 78 HN LEU 78 81.176 -5.124 -7.502 583 HA LEU 78 HA LEU 78 80.134 -5.143 -4.824 584 HG LEU 78 HG LEU 78 79.047 -8.504 -4.028 585 HB2 LEU 78 HB2 LEU 78 78.909 -7.094 -6.084 586 HB3 LEU 78 HB1 LEU 78 80.456 -7.924 -5.943 587 HD11 LEU 78 HD11 LEU 78 80.632 -8.092 -2.329 588 HD12 LEU 78 HD12 LEU 78 81.061 -6.514 -2.989 589 HD13 LEU 78 HD13 LEU 78 81.581 -7.984 -3.812 590 HD21 LEU 78 HD21 LEU 78 79.085 -5.740 -2.942 591 HD22 LEU 78 HD22 LEU 78 77.839 -6.981 -2.815 592 HD23 LEU 78 HD23 LEU 78 77.982 -6.022 -4.288 593 H HIS 79 HN HIS 79 82.223 -7.273 -6.806 594 HA HIS 79 HA HIS 79 84.673 -6.125 -5.839 595 HD1 HIS 79 HD1 HIS 79 86.001 -10.015 -3.948 596 HD2 HIS 79 HD2 HIS 79 86.710 -5.929 -4.390 597 HE1 HIS 79 HE1 HIS 79 88.480 -9.673 -3.557 598 HE2 HIS 79 HE2 HIS 79 88.925 -7.189 -3.823 599 HB2 HIS 79 HB2 HIS 79 83.888 -7.266 -3.742 600 HB3 HIS 79 HB1 HIS 79 83.933 -8.799 -4.612 601 H GLU 80 HN GLU 80 82.968 -7.770 -8.009 602 HA GLU 80 HA GLU 80 85.122 -9.623 -8.871 603 HB2 GLU 80 HB2 GLU 80 83.226 -9.917 -10.773 604 HB3 GLU 80 HB1 GLU 80 83.161 -10.772 -9.234 605 HG2 GLU 80 HG2 GLU 80 81.669 -9.128 -8.296 606 HG3 GLU 80 HG1 GLU 80 81.878 -8.066 -9.689 607 H LEU 81 HN LEU 81 83.069 -7.160 -10.501 608 HA LEU 81 HA LEU 81 85.179 -6.762 -12.518 609 HG LEU 81 HG LEU 81 81.966 -6.791 -14.234 610 HB2 LEU 81 HB2 LEU 81 82.391 -5.667 -12.129 611 HB3 LEU 81 HB1 LEU 81 83.479 -4.985 -13.337 612 HD11 LEU 81 HD11 LEU 81 83.598 -7.531 -15.688 613 HD12 LEU 81 HD12 LEU 81 84.744 -7.875 -14.393 614 HD13 LEU 81 HD13 LEU 81 84.487 -6.213 -14.924 615 HD21 LEU 81 HD21 LEU 81 83.726 -8.689 -12.672 616 HD22 LEU 81 HD22 LEU 81 82.233 -9.048 -13.540 617 HD23 LEU 81 HD23 LEU 81 82.180 -8.127 -12.036 618 H ALA 82 HN ALA 82 84.116 -5.313 -9.561 619 HA ALA 82 HA ALA 82 85.018 -2.640 -9.958 620 HB1 ALA 82 HB1 ALA 82 83.673 -3.557 -7.991 621 HB2 ALA 82 HB2 ALA 82 84.961 -2.425 -7.578 622 HB3 ALA 82 HB3 ALA 82 85.201 -4.157 -7.347 623 H GLN 83 HN GLN 83 86.902 -2.683 -7.596 624 HA GLN 83 HA GLN 83 89.228 -2.684 -7.293 625 HB2 GLN 83 HB2 GLN 83 89.275 -5.086 -9.127 626 HB3 GLN 83 HB1 GLN 83 90.370 -4.709 -7.797 627 HG2 GLN 83 HG2 GLN 83 88.471 -4.946 -6.204 628 HG3 GLN 83 HG1 GLN 83 87.432 -5.417 -7.550 629 HE21 GLN 83 HE21 GLN 83 87.328 -7.635 -7.923 630 HE22 GLN 83 HE22 GLN 83 88.500 -8.761 -7.434 631 H TYR 84 HN TYR 84 87.766 -2.024 -10.148 632 HA TYR 84 HA TYR 84 90.348 -1.196 -11.418 633 HD1 TYR 84 HD1 TYR 84 90.267 -4.386 -12.319 634 HD2 TYR 84 HD2 TYR 84 90.308 -0.817 -14.709 635 HE1 TYR 84 HE1 TYR 84 92.331 -5.167 -13.450 636 HE2 TYR 84 HE2 TYR 84 92.372 -1.598 -15.840 637 HH TYR 84 HH TYR 84 94.267 -4.115 -14.670 638 HB2 TYR 84 HB2 TYR 84 88.297 -2.928 -12.471 639 HB3 TYR 84 HB1 TYR 84 88.333 -1.449 -13.428 640 H GLY 85 HN GLY 85 87.384 -0.300 -10.104 641 HA2 GLY 85 HA2 GLY 85 87.757 2.477 -11.043 642 HA3 GLY 85 HA1 GLY 85 86.198 1.729 -11.402 643 H ILE 86 HN ILE 86 87.695 0.611 -8.541 644 HA ILE 86 HA ILE 86 85.553 1.461 -6.857 645 HB ILE 86 HB ILE 86 87.112 -0.461 -6.396 646 HG12 ILE 86 HG12 ILE 86 87.573 0.616 -3.895 647 HG13 ILE 86 HG11 ILE 86 86.254 1.618 -4.500 648 HG21 ILE 86 HG21 ILE 86 89.338 -0.146 -6.191 649 HG22 ILE 86 HG22 ILE 86 89.109 1.178 -5.048 650 HG23 ILE 86 HG23 ILE 86 89.073 1.494 -6.783 651 HD11 ILE 86 HD11 ILE 86 85.379 -0.367 -3.325 652 HD12 ILE 86 HD12 ILE 86 86.272 -1.414 -4.428 653 HD13 ILE 86 HD13 ILE 86 84.955 -0.412 -5.037 654 H1U RCY 87 H1U RCY 87 84.772 -0.140 -3.269 655 H1S RCY 87 H1S RCY 87 85.456 4.146 -2.349 656 HB1 RCY 87 HB1 RCY 87 89.632 5.148 -3.575 657 HB2 RCY 87 HB2 RCY 87 89.345 3.407 -3.560 658 HA RCY 87 HA RCY 87 87.295 5.114 -4.898 659 HN1 RCY 87 HN1 RCY 87 87.992 2.336 -4.915 Start of MODEL 31 1 HA MET 1 HA MET 1 66.836 -14.244 -2.955 2 HB2 MET 1 HB2 MET 1 65.549 -15.712 -4.669 3 HB3 MET 1 HB1 MET 1 65.897 -17.046 -3.569 4 HG2 MET 1 HG2 MET 1 63.792 -16.236 -2.847 5 HG3 MET 1 HG1 MET 1 64.941 -15.521 -1.716 6 HE1 MET 1 HE1 MET 1 63.320 -15.068 -5.179 7 HE2 MET 1 HE2 MET 1 62.464 -13.540 -4.986 8 HE3 MET 1 HE3 MET 1 62.030 -14.918 -3.978 9 H ASN 2 HN ASN 2 65.994 -17.076 -1.735 10 HA ASN 2 HA ASN 2 68.335 -18.078 -0.425 11 HB2 ASN 2 HB2 ASN 2 67.735 -17.141 1.884 12 HB3 ASN 2 HB1 ASN 2 68.493 -16.013 0.761 13 HD21 ASN 2 HD21 ASN 2 67.484 -14.056 1.423 14 HD22 ASN 2 HD22 ASN 2 65.806 -13.808 1.377 15 H LEU 3 HN LEU 3 67.602 -19.379 1.633 16 HA LEU 3 HA LEU 3 65.106 -20.786 0.870 17 HG LEU 3 HG LEU 3 68.375 -21.299 1.064 18 HB2 LEU 3 HB2 LEU 3 67.033 -21.562 3.067 19 HB3 LEU 3 HB1 LEU 3 65.888 -22.595 2.212 20 HD11 LEU 3 HD11 LEU 3 68.569 -23.421 2.458 21 HD12 LEU 3 HD12 LEU 3 69.178 -23.544 0.808 22 HD13 LEU 3 HD13 LEU 3 67.602 -24.221 1.219 23 HD21 LEU 3 HD21 LEU 3 67.641 -22.697 -0.987 24 HD22 LEU 3 HD22 LEU 3 66.784 -21.185 -0.689 25 HD23 LEU 3 HD23 LEU 3 66.047 -22.721 -0.232 26 H GLU 4 HN GLU 4 65.119 -18.111 2.240 27 HA GLU 4 HA GLU 4 64.170 -18.701 4.954 28 HB2 GLU 4 HB2 GLU 4 64.590 -16.220 3.318 29 HB3 GLU 4 HB1 GLU 4 63.535 -16.138 4.729 30 HG2 GLU 4 HG2 GLU 4 65.882 -15.567 5.302 31 HG3 GLU 4 HG1 GLU 4 65.334 -17.012 6.153 32 HA PRO 5 HA PRO 5 59.940 -19.715 4.003 33 HB2 PRO 5 HB2 PRO 5 59.428 -17.674 6.147 34 HB3 PRO 5 HB1 PRO 5 58.709 -19.283 5.933 35 HG2 PRO 5 HG2 PRO 5 60.672 -18.828 7.695 36 HG3 PRO 5 HG1 PRO 5 60.528 -20.360 6.820 37 HD2 PRO 5 HD2 PRO 5 62.555 -18.234 6.518 38 HD3 PRO 5 HD1 PRO 5 62.621 -19.932 6.000 39 HA PRO 6 HA PRO 6 59.271 -15.869 1.597 40 HB2 PRO 6 HB2 PRO 6 58.528 -17.036 -0.725 41 HB3 PRO 6 HB1 PRO 6 60.227 -16.953 -0.220 42 HG2 PRO 6 HG2 PRO 6 58.348 -19.245 -0.140 43 HG3 PRO 6 HG1 PRO 6 60.090 -19.220 -0.451 44 HD2 PRO 6 HD2 PRO 6 58.878 -19.885 1.996 45 HD3 PRO 6 HD1 PRO 6 60.590 -19.471 1.767 46 H LYS 7 HN LYS 7 57.346 -14.739 1.366 47 HA LYS 7 HA LYS 7 54.793 -16.303 1.417 48 HB2 LYS 7 HB2 LYS 7 55.346 -13.741 2.950 49 HB3 LYS 7 HB1 LYS 7 53.833 -14.645 2.942 50 HG2 LYS 7 HG2 LYS 7 54.724 -15.594 4.828 51 HG3 LYS 7 HG1 LYS 7 55.541 -16.624 3.651 52 HD2 LYS 7 HD2 LYS 7 57.489 -15.121 3.668 53 HD3 LYS 7 HD1 LYS 7 56.675 -14.068 4.827 54 HE2 LYS 7 HE2 LYS 7 57.341 -16.987 5.314 55 HE3 LYS 7 HE1 LYS 7 58.274 -15.624 5.933 56 HZ1 LYS 7 HZ1 LYS 7 55.378 -15.934 6.459 57 HZ2 LYS 7 HZ2 LYS 7 56.485 -14.919 7.251 58 HZ3 LYS 7 HZ3 LYS 7 56.559 -16.601 7.477 59 H ALA 8 HN ALA 8 53.100 -14.038 1.295 60 HA ALA 8 HA ALA 8 53.192 -13.450 -1.512 61 HB1 ALA 8 HB1 ALA 8 51.131 -13.399 -0.037 62 HB2 ALA 8 HB2 ALA 8 51.310 -12.002 -1.099 63 HB3 ALA 8 HB3 ALA 8 51.719 -11.868 0.611 64 H GLU 9 HN GLU 9 55.575 -12.735 -1.368 65 HA GLU 9 HA GLU 9 56.033 -10.045 -0.294 66 HB2 GLU 9 HB2 GLU 9 57.753 -11.976 -0.455 67 HB3 GLU 9 HB1 GLU 9 57.884 -11.535 -2.158 68 HG2 GLU 9 HG2 GLU 9 59.581 -10.265 -1.107 69 HG3 GLU 9 HG1 GLU 9 58.253 -9.121 -1.305 70 H1U RCY 10 H1U RCY 10 57.175 -1.957 -0.881 71 H1S RCY 10 H1S RCY 10 53.836 -3.570 -2.539 72 HB1 RCY 10 HB1 RCY 10 55.766 -5.716 -3.890 73 HB2 RCY 10 HB2 RCY 10 55.857 -6.176 -2.194 74 HA RCY 10 HA RCY 10 54.394 -8.079 -3.923 75 HN1 RCY 10 HN1 RCY 10 55.632 -8.206 -1.415 76 H ARG 11 HN ARG 11 55.580 -6.778 -5.842 77 HA ARG 11 HA ARG 11 57.252 -6.786 -7.497 78 HE ARG 11 HE ARG 11 61.216 -4.325 -7.928 79 HB2 ARG 11 HB2 ARG 11 58.739 -6.813 -5.265 80 HB3 ARG 11 HB1 ARG 11 59.105 -8.442 -5.826 81 HG2 ARG 11 HG2 ARG 11 60.760 -6.984 -6.787 82 HG3 ARG 11 HG1 ARG 11 59.655 -7.432 -8.086 83 HD2 ARG 11 HD2 ARG 11 59.097 -5.278 -8.418 84 HD3 ARG 11 HD1 ARG 11 58.655 -5.095 -6.721 85 HH11 ARG 11 HH21 ARG 11 59.420 -5.149 -5.102 86 HH12 ARG 11 HH22 ARG 11 60.495 -4.330 -4.019 87 HH21 ARG 11 HH11 ARG 11 62.629 -3.250 -6.529 88 HH22 ARG 11 HH12 ARG 11 62.311 -3.254 -4.827 89 H SER 12 HN SER 12 59.141 -9.127 -7.718 90 HA SER 12 HA SER 12 57.417 -11.476 -7.942 91 HG SER 12 HG SER 12 58.889 -10.209 -11.380 92 HB2 SER 12 HB2 SER 12 57.738 -11.657 -10.433 93 HB3 SER 12 HB1 SER 12 56.682 -10.335 -9.946 94 H ALA 13 HN ALA 13 59.983 -10.920 -10.246 95 HA ALA 13 HA ALA 13 62.110 -11.962 -8.559 96 HB1 ALA 13 HB1 ALA 13 62.395 -14.097 -9.794 97 HB2 ALA 13 HB2 ALA 13 60.896 -13.778 -10.665 98 HB3 ALA 13 HB3 ALA 13 60.863 -14.047 -8.922 99 H THR 14 HN THR 14 61.853 -9.683 -10.224 100 HA THR 14 HA THR 14 63.463 -10.331 -12.642 101 HB THR 14 HB THR 14 62.954 -8.048 -13.354 102 HG1 THR 14 HG1 THR 14 62.796 -6.752 -11.698 103 HG21 THR 14 HG21 THR 14 61.257 -9.852 -13.699 104 HG22 THR 14 HG22 THR 14 60.540 -8.246 -13.570 105 HG23 THR 14 HG23 THR 14 60.475 -9.353 -12.198 106 H ARG 15 HN ARG 15 65.307 -10.829 -11.098 107 HA ARG 15 HA ARG 15 66.924 -8.376 -10.745 108 HE ARG 15 HE ARG 15 67.728 -6.158 -6.413 109 HB2 ARG 15 HB2 ARG 15 65.651 -8.911 -8.571 110 HB3 ARG 15 HB1 ARG 15 66.673 -10.343 -8.463 111 HG2 ARG 15 HG2 ARG 15 67.891 -8.758 -7.233 112 HG3 ARG 15 HG1 ARG 15 68.643 -8.666 -8.826 113 HD2 ARG 15 HD2 ARG 15 68.201 -6.450 -8.753 114 HD3 ARG 15 HD1 ARG 15 66.513 -6.890 -9.014 115 HH11 ARG 15 HH21 ARG 15 65.070 -7.292 -8.293 116 HH12 ARG 15 HH22 ARG 15 63.889 -6.951 -7.073 117 HH21 ARG 15 HH11 ARG 15 66.202 -5.706 -4.809 118 HH22 ARG 15 HH12 ARG 15 64.530 -6.053 -5.100 119 H VAL 16 HN VAL 16 66.651 -11.877 -10.855 120 HA VAL 16 HA VAL 16 69.345 -12.633 -10.550 121 HB VAL 16 HB VAL 16 67.377 -13.795 -12.543 122 HG11 VAL 16 HG11 VAL 16 69.779 -14.966 -11.106 123 HG12 VAL 16 HG12 VAL 16 69.682 -14.593 -12.827 124 HG13 VAL 16 HG13 VAL 16 68.678 -15.871 -12.145 125 HG21 VAL 16 HG21 VAL 16 66.917 -15.388 -10.607 126 HG22 VAL 16 HG22 VAL 16 66.292 -13.752 -10.402 127 HG23 VAL 16 HG23 VAL 16 67.770 -14.241 -9.573 128 H MET 17 HN MET 17 70.658 -10.966 -11.501 129 HA MET 17 HA MET 17 71.891 -9.970 -13.233 130 HB2 MET 17 HB2 MET 17 72.298 -12.472 -13.621 131 HB3 MET 17 HB1 MET 17 71.074 -12.367 -14.886 132 HG2 MET 17 HG2 MET 17 72.391 -10.533 -15.953 133 HG3 MET 17 HG1 MET 17 73.646 -10.768 -14.736 134 HE1 MET 17 HE1 MET 17 74.745 -10.644 -16.998 135 HE2 MET 17 HE2 MET 17 73.813 -11.355 -18.314 136 HE3 MET 17 HE3 MET 17 75.331 -12.098 -17.816 137 H GLY 18 HN GLY 18 69.979 -8.412 -13.269 138 HA2 GLY 18 HA2 GLY 18 69.280 -7.701 -15.893 139 HA3 GLY 18 HA1 GLY 18 67.942 -8.680 -15.289 140 H GLY 19 HN GLY 19 66.569 -6.775 -15.357 141 HA2 GLY 19 HA2 GLY 19 65.405 -5.143 -14.098 142 HA3 GLY 19 HA1 GLY 19 66.646 -5.272 -12.850 143 HA PRO 20 HA PRO 20 68.388 -2.453 -16.580 144 HB2 PRO 20 HB2 PRO 20 65.658 -1.390 -17.216 145 HB3 PRO 20 HB1 PRO 20 67.050 -1.635 -18.290 146 HG2 PRO 20 HG2 PRO 20 64.982 -3.314 -18.282 147 HG3 PRO 20 HG1 PRO 20 66.642 -3.883 -18.525 148 HD2 PRO 20 HD2 PRO 20 64.882 -4.194 -16.144 149 HD3 PRO 20 HD1 PRO 20 66.220 -5.221 -16.702 150 H1U RCY 21 H1U RCY 21 64.593 2.182 -8.573 151 H1S RCY 21 H1S RCY 21 67.890 1.688 -10.911 152 HB1 RCY 21 HB1 RCY 21 69.961 1.611 -12.973 153 HB2 RCY 21 HB2 RCY 21 70.338 0.032 -13.659 154 HA RCY 21 HA RCY 21 67.491 0.918 -13.769 155 HN1 RCY 21 HN1 RCY 21 69.217 -0.609 -15.683 156 H THR 22 HN THR 22 66.771 2.522 -15.202 157 HA THR 22 HA THR 22 68.508 3.825 -17.104 158 HB THR 22 HB THR 22 66.299 4.119 -17.724 159 HG1 THR 22 HG1 THR 22 66.043 6.333 -16.141 160 HG21 THR 22 HG21 THR 22 65.761 4.319 -14.761 161 HG22 THR 22 HG22 THR 22 65.195 3.092 -15.895 162 HG23 THR 22 HG23 THR 22 64.530 4.725 -15.956 163 HA PRO 23 HA PRO 23 70.539 6.701 -14.424 164 HB2 PRO 23 HB2 PRO 23 70.940 8.815 -16.120 165 HB3 PRO 23 HB1 PRO 23 71.849 7.296 -16.231 166 HG2 PRO 23 HG2 PRO 23 69.523 8.221 -17.842 167 HG3 PRO 23 HG1 PRO 23 70.983 7.357 -18.356 168 HD2 PRO 23 HD2 PRO 23 68.579 6.105 -17.971 169 HD3 PRO 23 HD1 PRO 23 70.141 5.289 -17.739 170 H ARG 24 HN ARG 24 68.050 6.780 -13.550 171 HA ARG 24 HA ARG 24 67.472 9.676 -13.259 172 HE ARG 24 HE ARG 24 64.663 12.115 -16.046 173 HB2 ARG 24 HB2 ARG 24 65.531 7.594 -14.279 174 HB3 ARG 24 HB1 ARG 24 64.976 9.079 -13.508 175 HG2 ARG 24 HG2 ARG 24 66.867 9.015 -15.877 176 HG3 ARG 24 HG1 ARG 24 65.122 9.235 -16.018 177 HD2 ARG 24 HD2 ARG 24 65.655 11.115 -14.154 178 HD3 ARG 24 HD1 ARG 24 67.193 11.118 -15.016 179 HH11 ARG 24 HH21 ARG 24 67.690 10.641 -16.790 180 HH12 ARG 24 HH22 ARG 24 67.738 11.248 -18.412 181 HH21 ARG 24 HH11 ARG 24 64.708 12.917 -18.159 182 HH22 ARG 24 HH12 ARG 24 66.050 12.537 -19.186 183 H LYS 25 HN LYS 25 68.528 8.929 -11.163 184 HA LYS 25 HA LYS 25 66.424 7.841 -9.331 185 HB2 LYS 25 HB2 LYS 25 68.538 7.009 -8.001 186 HB3 LYS 25 HB1 LYS 25 67.929 6.055 -9.352 187 HG2 LYS 25 HG2 LYS 25 70.366 6.316 -9.532 188 HG3 LYS 25 HG1 LYS 25 69.563 7.163 -10.855 189 HD2 LYS 25 HD2 LYS 25 69.952 9.279 -9.904 190 HD3 LYS 25 HD1 LYS 25 70.234 8.607 -8.298 191 HE2 LYS 25 HE2 LYS 25 72.369 9.278 -9.264 192 HE3 LYS 25 HE1 LYS 25 72.309 7.518 -9.163 193 HZ1 LYS 25 HZ1 LYS 25 72.914 8.895 -11.385 194 HZ2 LYS 25 HZ2 LYS 25 71.253 8.619 -11.614 195 HZ3 LYS 25 HZ3 LYS 25 72.309 7.310 -11.375 196 H GLY 26 HN GLY 26 67.740 10.592 -10.142 197 HA2 GLY 26 HA2 GLY 26 68.091 12.614 -9.004 198 HA3 GLY 26 HA1 GLY 26 67.348 11.849 -7.600 199 HA PRO 27 HA PRO 27 72.141 10.868 -7.565 200 HB2 PRO 27 HB2 PRO 27 73.166 13.194 -9.083 201 HB3 PRO 27 HB1 PRO 27 73.599 11.481 -9.226 202 HG2 PRO 27 HG2 PRO 27 72.165 12.763 -11.092 203 HG3 PRO 27 HG1 PRO 27 71.928 11.046 -10.723 204 HD2 PRO 27 HD2 PRO 27 70.246 13.396 -9.913 205 HD3 PRO 27 HD1 PRO 27 69.742 11.753 -10.371 206 HA PRO 28 HA PRO 28 73.030 13.365 -4.034 207 HB2 PRO 28 HB2 PRO 28 75.653 14.021 -5.343 208 HB3 PRO 28 HB1 PRO 28 75.327 13.502 -3.677 209 HG2 PRO 28 HG2 PRO 28 76.251 11.811 -5.533 210 HG3 PRO 28 HG1 PRO 28 75.133 11.294 -4.261 211 HD2 PRO 28 HD2 PRO 28 74.635 11.610 -7.158 212 HD3 PRO 28 HD1 PRO 28 73.726 10.670 -5.955 213 H LYS 29 HN LYS 29 72.484 15.462 -3.522 214 HA LYS 29 HA LYS 29 73.365 17.742 -5.083 215 HB2 LYS 29 HB2 LYS 29 71.490 16.715 -6.486 216 HB3 LYS 29 HB1 LYS 29 70.396 17.169 -5.179 217 HG2 LYS 29 HG2 LYS 29 71.313 19.532 -5.390 218 HG3 LYS 29 HG1 LYS 29 72.105 19.002 -6.875 219 HD2 LYS 29 HD2 LYS 29 69.125 18.833 -6.331 220 HD3 LYS 29 HD1 LYS 29 69.906 20.051 -7.340 221 HE2 LYS 29 HE2 LYS 29 70.901 18.022 -8.628 222 HE3 LYS 29 HE1 LYS 29 69.626 17.093 -7.840 223 HZ1 LYS 29 HZ1 LYS 29 69.336 18.473 -10.135 224 HZ2 LYS 29 HZ2 LYS 29 68.732 19.576 -8.993 225 HZ3 LYS 29 HZ3 LYS 29 68.062 18.019 -9.112 226 H1U RCY 30 H1U RCY 30 72.221 12.160 -4.813 227 H1S RCY 30 H1S RCY 30 69.868 14.585 -2.614 228 HB1 RCY 30 HB1 RCY 30 68.891 17.342 -1.237 229 HB2 RCY 30 HB2 RCY 30 69.581 17.578 0.369 230 HA RCY 30 HA RCY 30 70.629 19.009 -1.430 231 HN1 RCY 30 HN1 RCY 30 71.037 16.444 -2.738 232 H LYS 31 HN LYS 31 73.433 17.987 -1.768 233 HA LYS 31 HA LYS 31 75.406 17.833 -0.502 234 HB2 LYS 31 HB2 LYS 31 73.734 19.449 1.449 235 HB3 LYS 31 HB1 LYS 31 75.492 19.321 1.458 236 HG2 LYS 31 HG2 LYS 31 74.115 20.214 -1.053 237 HG3 LYS 31 HG1 LYS 31 74.325 21.368 0.264 238 HD2 LYS 31 HD2 LYS 31 76.674 19.713 -0.590 239 HD3 LYS 31 HD1 LYS 31 76.203 21.095 -1.579 240 HE2 LYS 31 HE2 LYS 31 76.284 22.532 0.463 241 HE3 LYS 31 HE1 LYS 31 76.878 21.145 1.376 242 HZ1 LYS 31 HZ1 LYS 31 78.795 22.255 0.738 243 HZ2 LYS 31 HZ2 LYS 31 78.202 22.618 -0.812 244 HZ3 LYS 31 HZ3 LYS 31 78.663 21.029 -0.427 245 H GLN 32 HN GLN 32 75.887 17.566 2.203 246 HA GLN 32 HA GLN 32 74.507 14.982 2.821 247 HB2 GLN 32 HB2 GLN 32 76.645 14.811 4.383 248 HB3 GLN 32 HB1 GLN 32 76.758 14.420 2.667 249 HG2 GLN 32 HG2 GLN 32 78.580 15.955 3.469 250 HG3 GLN 32 HG1 GLN 32 77.614 16.631 2.157 251 HE21 GLN 32 HE21 GLN 32 76.977 16.412 5.704 252 HE22 GLN 32 HE22 GLN 32 76.715 18.077 5.906 253 H ARG 33 HN ARG 33 73.847 17.930 3.542 254 HA ARG 33 HA ARG 33 74.166 18.018 6.440 255 HE ARG 33 HE ARG 33 71.045 22.134 5.341 256 HB2 ARG 33 HB2 ARG 33 73.889 19.992 4.761 257 HB3 ARG 33 HB1 ARG 33 72.164 19.662 4.901 258 HG2 ARG 33 HG2 ARG 33 72.276 19.949 7.330 259 HG3 ARG 33 HG1 ARG 33 74.021 20.196 7.241 260 HD2 ARG 33 HD2 ARG 33 73.211 22.394 7.302 261 HD3 ARG 33 HD1 ARG 33 73.408 22.115 5.572 262 HH11 ARG 33 HH21 ARG 33 72.078 21.982 8.626 263 HH12 ARG 33 HH22 ARG 33 70.498 22.269 9.276 264 HH21 ARG 33 HH11 ARG 33 68.976 22.510 6.170 265 HH22 ARG 33 HH12 ARG 33 68.742 22.568 7.885 266 H GLN 34 HN GLN 34 73.058 15.611 5.937 267 HA GLN 34 HA GLN 34 70.164 15.617 5.954 268 HB2 GLN 34 HB2 GLN 34 70.453 13.221 6.697 269 HB3 GLN 34 HB1 GLN 34 71.313 13.624 5.210 270 HG2 GLN 34 HG2 GLN 34 73.396 13.929 6.466 271 HG3 GLN 34 HG1 GLN 34 72.551 13.599 7.979 272 HE21 GLN 34 HE21 GLN 34 70.859 11.464 6.672 273 HE22 GLN 34 HE22 GLN 34 71.893 10.130 6.488 274 H THR 35 HN THR 35 70.806 17.475 7.827 275 HA THR 35 HA THR 35 70.237 18.078 10.021 276 HB THR 35 HB THR 35 69.406 15.257 10.636 277 HG1 THR 35 HG1 THR 35 67.484 16.774 9.443 278 HG21 THR 35 HG21 THR 35 69.208 17.113 12.298 279 HG22 THR 35 HG22 THR 35 67.651 16.400 11.876 280 HG23 THR 35 HG23 THR 35 68.128 17.950 11.182 281 H ARG 36 HN ARG 36 71.346 14.672 10.221 282 HA ARG 36 HA ARG 36 73.693 15.621 11.799 283 HE ARG 36 HE ARG 36 74.818 13.090 16.499 284 HB2 ARG 36 HB2 ARG 36 71.913 14.874 13.380 285 HB3 ARG 36 HB1 ARG 36 71.915 13.295 12.595 286 HG2 ARG 36 HG2 ARG 36 74.177 12.866 13.262 287 HG3 ARG 36 HG1 ARG 36 74.406 14.535 13.785 288 HD2 ARG 36 HD2 ARG 36 72.944 14.259 15.647 289 HD3 ARG 36 HD1 ARG 36 72.319 12.732 15.023 290 HH11 ARG 36 HH21 ARG 36 73.003 11.223 14.239 291 HH12 ARG 36 HH22 ARG 36 73.869 9.756 14.552 292 HH21 ARG 36 HH11 ARG 36 75.960 11.185 16.921 293 HH22 ARG 36 HH12 ARG 36 75.543 9.735 16.070 294 H GLN 37 HN GLN 37 74.878 15.158 9.825 295 HA GLN 37 HA GLN 37 74.865 12.817 8.319 296 HB2 GLN 37 HB2 GLN 37 77.602 13.725 8.950 297 HB3 GLN 37 HB1 GLN 37 76.775 13.647 7.397 298 HG2 GLN 37 HG2 GLN 37 75.479 15.695 8.049 299 HG3 GLN 37 HG1 GLN 37 76.475 15.808 9.500 300 HE21 GLN 37 HE21 GLN 37 77.017 17.994 8.316 301 HE22 GLN 37 HE22 GLN 37 78.331 17.955 7.242 302 H1U RCY 38 H1U RCY 38 81.429 6.559 6.442 303 H1S RCY 38 H1S RCY 38 78.984 8.265 9.170 304 HB1 RCY 38 HB1 RCY 38 76.931 9.417 10.793 305 HB2 RCY 38 HB2 RCY 38 78.630 9.416 11.263 306 HA RCY 38 HA RCY 38 76.922 11.087 12.414 307 HN1 RCY 38 HN1 RCY 38 77.496 13.221 10.685 308 H LYS 39 HN LYS 39 79.661 12.222 10.403 309 HA LYS 39 HA LYS 39 81.829 12.861 11.039 310 HB2 LYS 39 HB2 LYS 39 80.441 14.685 12.067 311 HB3 LYS 39 HB1 LYS 39 80.401 13.752 13.562 312 HG2 LYS 39 HG2 LYS 39 82.198 15.337 13.781 313 HG3 LYS 39 HG1 LYS 39 82.938 13.758 13.513 314 HD2 LYS 39 HD2 LYS 39 82.377 15.023 10.978 315 HD3 LYS 39 HD1 LYS 39 83.332 16.105 11.992 316 HE2 LYS 39 HE2 LYS 39 85.037 14.436 12.306 317 HE3 LYS 39 HE1 LYS 39 84.037 13.193 11.554 318 HZ1 LYS 39 HZ1 LYS 39 84.448 13.977 9.485 319 HZ2 LYS 39 HZ2 LYS 39 85.883 14.505 10.224 320 HZ3 LYS 39 HZ3 LYS 39 84.598 15.590 9.987 321 H SER 40 HN SER 40 82.576 10.646 11.224 322 HA SER 40 HA SER 40 83.344 9.959 13.995 323 HG SER 40 HG SER 40 81.970 6.771 14.204 324 HB2 SER 40 HB2 SER 40 81.158 8.792 13.540 325 HB3 SER 40 HB1 SER 40 81.944 7.945 12.212 326 H LYS 41 HN LYS 41 84.031 7.201 12.921 327 HA LYS 41 HA LYS 41 86.201 7.927 11.015 328 HB2 LYS 41 HB2 LYS 41 87.664 6.314 12.450 329 HB3 LYS 41 HB1 LYS 41 87.437 7.971 13.009 330 HG2 LYS 41 HG2 LYS 41 85.400 5.985 13.884 331 HG3 LYS 41 HG1 LYS 41 87.004 5.838 14.602 332 HD2 LYS 41 HD2 LYS 41 85.723 8.546 14.452 333 HD3 LYS 41 HD1 LYS 41 85.204 7.421 15.708 334 HE2 LYS 41 HE2 LYS 41 88.081 8.233 15.198 335 HE3 LYS 41 HE1 LYS 41 87.059 8.894 16.474 336 HZ1 LYS 41 HZ1 LYS 41 87.724 7.201 17.718 337 HZ2 LYS 41 HZ2 LYS 41 88.487 6.437 16.406 338 HZ3 LYS 41 HZ3 LYS 41 86.837 6.168 16.706 339 HA PRO 42 HA PRO 42 84.451 4.106 9.379 340 HB2 PRO 42 HB2 PRO 42 85.791 4.083 7.011 341 HB3 PRO 42 HB1 PRO 42 84.435 5.183 7.326 342 HG2 PRO 42 HG2 PRO 42 87.357 5.731 7.373 343 HG3 PRO 42 HG1 PRO 42 86.026 6.743 6.789 344 HD2 PRO 42 HD2 PRO 42 87.258 7.073 9.247 345 HD3 PRO 42 HD1 PRO 42 85.607 7.617 8.878 346 HA PRO 43 HA PRO 43 87.325 0.897 10.351 347 HB2 PRO 43 HB2 PRO 43 86.999 -0.803 8.141 348 HB3 PRO 43 HB1 PRO 43 85.990 -0.797 9.599 349 HG2 PRO 43 HG2 PRO 43 85.481 0.420 6.945 350 HG3 PRO 43 HG1 PRO 43 84.349 -0.318 8.091 351 HD2 PRO 43 HD2 PRO 43 84.526 2.372 7.793 352 HD3 PRO 43 HD1 PRO 43 84.157 1.625 9.365 353 H LYS 44 HN LYS 44 89.491 0.370 9.970 354 HA LYS 44 HA LYS 44 91.085 2.015 8.351 355 HB2 LYS 44 HB2 LYS 44 91.536 -0.743 9.491 356 HB3 LYS 44 HB1 LYS 44 92.778 0.061 8.531 357 HG2 LYS 44 HG2 LYS 44 92.707 1.997 10.068 358 HG3 LYS 44 HG1 LYS 44 91.484 1.175 11.039 359 HD2 LYS 44 HD2 LYS 44 92.988 -0.439 11.809 360 HD3 LYS 44 HD1 LYS 44 94.090 -0.203 10.452 361 HE2 LYS 44 HE2 LYS 44 93.574 1.949 12.514 362 HE3 LYS 44 HE1 LYS 44 94.863 0.758 12.689 363 HZ1 LYS 44 HZ1 LYS 44 95.853 1.490 10.671 364 HZ2 LYS 44 HZ2 LYS 44 95.557 2.869 11.618 365 HZ3 LYS 44 HZ3 LYS 44 94.538 2.500 10.310 366 H LYS 45 HN LYS 45 90.233 2.177 6.236 367 HA LYS 45 HA LYS 45 89.937 1.573 3.992 368 HB2 LYS 45 HB2 LYS 45 92.129 -0.352 4.810 369 HB3 LYS 45 HB1 LYS 45 91.586 -0.144 3.145 370 HG2 LYS 45 HG2 LYS 45 92.340 2.088 3.049 371 HG3 LYS 45 HG1 LYS 45 92.428 2.228 4.805 372 HD2 LYS 45 HD2 LYS 45 94.684 2.004 3.859 373 HD3 LYS 45 HD1 LYS 45 94.285 0.586 4.830 374 HE2 LYS 45 HE2 LYS 45 93.768 0.638 1.859 375 HE3 LYS 45 HE1 LYS 45 95.343 0.178 2.505 376 HZ1 LYS 45 HZ1 LYS 45 92.927 -1.320 2.420 377 HZ2 LYS 45 HZ2 LYS 45 93.512 -1.204 4.010 378 HZ3 LYS 45 HZ3 LYS 45 94.501 -1.840 2.783 379 H GLY 46 HN GLY 46 88.142 0.558 3.272 380 HA2 GLY 46 HA2 GLY 46 87.072 -1.783 4.609 381 HA3 GLY 46 HA1 GLY 46 86.411 -1.037 3.153 382 H VAL 47 HN VAL 47 89.771 -1.990 3.269 383 HA VAL 47 HA VAL 47 90.941 -3.540 1.949 384 HB VAL 47 HB VAL 47 88.542 -5.347 2.206 385 HG11 VAL 47 HG11 VAL 47 90.188 -7.076 2.273 386 HG12 VAL 47 HG12 VAL 47 91.488 -5.924 2.575 387 HG13 VAL 47 HG13 VAL 47 90.706 -5.976 0.995 388 HG21 VAL 47 HG21 VAL 47 90.454 -4.446 4.373 389 HG22 VAL 47 HG22 VAL 47 89.557 -5.961 4.476 390 HG23 VAL 47 HG23 VAL 47 88.691 -4.427 4.408 391 H GLN 48 HN GLN 48 89.269 -1.624 0.568 392 HA GLN 48 HA GLN 48 89.054 -3.037 -2.006 393 HB2 GLN 48 HB2 GLN 48 86.734 -2.312 -2.409 394 HB3 GLN 48 HB1 GLN 48 86.816 -3.367 -0.998 395 HG2 GLN 48 HG2 GLN 48 87.077 -1.161 0.357 396 HG3 GLN 48 HG1 GLN 48 86.445 -0.378 -1.092 397 HE21 GLN 48 HE21 GLN 48 85.581 -3.527 0.445 398 HE22 GLN 48 HE22 GLN 48 83.931 -3.161 0.605 399 H GLY 49 HN GLY 49 88.339 0.020 -0.294 400 HA2 GLY 49 HA2 GLY 49 89.925 1.907 -1.017 401 HA3 GLY 49 HA1 GLY 49 89.439 1.484 -2.660 402 H1U RCY 50 H1U RCY 50 83.541 -0.560 -1.040 403 H1S RCY 50 H1S RCY 50 84.158 2.250 2.307 404 HB1 RCY 50 HB1 RCY 50 85.866 5.402 1.216 405 HB2 RCY 50 HB2 RCY 50 87.579 5.038 1.427 406 HA RCY 50 HA RCY 50 85.803 3.670 -0.615 407 HN1 RCY 50 HN1 RCY 50 88.627 3.321 0.113 408 H GLY 51 HN GLY 51 86.693 4.328 -2.895 409 HA2 GLY 51 HA2 GLY 51 86.035 6.876 -3.588 410 HA3 GLY 51 HA1 GLY 51 87.701 7.085 -3.048 411 H ASP 52 HN ASP 52 85.735 5.101 -5.278 412 HA ASP 52 HA ASP 52 88.076 4.323 -6.836 413 HB2 ASP 52 HB2 ASP 52 86.137 2.839 -6.759 414 HB3 ASP 52 HB1 ASP 52 85.107 4.108 -7.425 415 H ASP 53 HN ASP 53 85.182 6.268 -7.681 416 HA ASP 53 HA ASP 53 86.675 7.528 -9.884 417 HB2 ASP 53 HB2 ASP 53 83.847 7.918 -8.856 418 HB3 ASP 53 HB1 ASP 53 84.512 8.733 -10.273 419 H ILE 54 HN ILE 54 84.585 9.064 -7.431 420 HA ILE 54 HA ILE 54 86.700 11.154 -7.095 421 HB ILE 54 HB ILE 54 83.700 11.374 -6.714 422 HG12 ILE 54 HG12 ILE 54 84.322 13.141 -8.657 423 HG13 ILE 54 HG11 ILE 54 85.567 11.930 -8.966 424 HG21 ILE 54 HG21 ILE 54 84.781 12.876 -5.190 425 HG22 ILE 54 HG22 ILE 54 84.294 13.847 -6.579 426 HG23 ILE 54 HG23 ILE 54 85.975 13.345 -6.399 427 HD11 ILE 54 HD11 ILE 54 83.810 11.103 -10.252 428 HD12 ILE 54 HD12 ILE 54 82.582 11.655 -9.112 429 HD13 ILE 54 HD13 ILE 54 83.561 10.237 -8.736 430 HA PRO 55 HA PRO 55 86.595 9.359 -2.932 431 HB2 PRO 55 HB2 PRO 55 88.899 10.462 -2.020 432 HB3 PRO 55 HB1 PRO 55 88.888 9.095 -3.151 433 HG2 PRO 55 HG2 PRO 55 89.367 11.979 -3.686 434 HG3 PRO 55 HG1 PRO 55 90.140 10.554 -4.397 435 HD2 PRO 55 HD2 PRO 55 88.123 12.018 -5.624 436 HD3 PRO 55 HD1 PRO 55 88.520 10.330 -6.013 437 H GLY 56 HN GLY 56 84.931 10.398 -1.820 438 HA2 GLY 56 HA2 GLY 56 85.530 12.529 -0.036 439 HA3 GLY 56 HA1 GLY 56 84.700 13.212 -1.436 440 H MET 57 HN MET 57 82.505 13.178 -1.379 441 HA MET 57 HA MET 57 81.071 10.998 -0.025 442 HB2 MET 57 HB2 MET 57 80.980 13.858 0.978 443 HB3 MET 57 HB1 MET 57 79.776 12.641 1.401 444 HG2 MET 57 HG2 MET 57 81.748 11.187 2.170 445 HG3 MET 57 HG1 MET 57 82.724 12.653 2.065 446 HE1 MET 57 HE1 MET 57 82.144 11.971 5.828 447 HE2 MET 57 HE2 MET 57 83.284 12.877 4.835 448 HE3 MET 57 HE3 MET 57 82.841 11.233 4.380 449 H GLU 58 HN GLU 58 81.273 12.159 -2.742 450 HA GLU 58 HA GLU 58 78.388 12.388 -3.240 451 HB2 GLU 58 HB2 GLU 58 78.431 14.533 -4.296 452 HB3 GLU 58 HB1 GLU 58 79.239 14.743 -2.744 453 HG2 GLU 58 HG2 GLU 58 80.541 14.427 -5.461 454 HG3 GLU 58 HG1 GLU 58 80.607 15.835 -4.400 455 H GLY 59 HN GLY 59 78.232 12.911 -5.823 456 HA2 GLY 59 HA2 GLY 59 78.917 12.301 -8.013 457 HA3 GLY 59 HA1 GLY 59 80.427 11.685 -7.339 458 H1U RCY 60 H1U RCY 60 77.444 3.392 -2.164 459 H1S RCY 60 H1S RCY 60 79.732 6.024 -4.426 460 HB1 RCY 60 HB1 RCY 60 78.530 6.443 -6.179 461 HB2 RCY 60 HB2 RCY 60 77.533 7.897 -6.214 462 HA RCY 60 HA RCY 60 80.006 7.263 -7.818 463 HN1 RCY 60 HN1 RCY 60 80.589 9.531 -7.696 464 H GLY 61 HN GLY 61 78.777 5.967 -9.209 465 HA2 GLY 61 HA2 GLY 61 76.166 6.828 -10.186 466 HA3 GLY 61 HA1 GLY 61 77.449 7.026 -11.381 467 H THR 62 HN THR 62 79.022 4.805 -10.894 468 HA THR 62 HA THR 62 77.849 2.760 -12.367 469 HB THR 62 HB THR 62 79.569 1.275 -11.462 470 HG1 THR 62 HG1 THR 62 80.885 2.345 -9.728 471 HG21 THR 62 HG21 THR 62 81.526 2.618 -11.958 472 HG22 THR 62 HG22 THR 62 80.638 4.105 -11.623 473 HG23 THR 62 HG23 THR 62 80.217 3.124 -13.026 474 H ASP 63 HN ASP 63 76.124 1.497 -11.956 475 HA ASP 63 HA ASP 63 74.589 1.490 -9.620 476 HB2 ASP 63 HB2 ASP 63 73.619 -0.632 -10.423 477 HB3 ASP 63 HB1 ASP 63 73.827 0.504 -11.757 478 H ILE 64 HN ILE 64 77.683 0.138 -10.071 479 HA ILE 64 HA ILE 64 77.372 -1.877 -7.930 480 HB ILE 64 HB ILE 64 79.674 -1.044 -9.706 481 HG12 ILE 64 HG12 ILE 64 78.342 -3.737 -9.318 482 HG13 ILE 64 HG11 ILE 64 77.814 -2.572 -10.533 483 HG21 ILE 64 HG21 ILE 64 79.639 -2.809 -7.257 484 HG22 ILE 64 HG22 ILE 64 80.772 -1.520 -7.664 485 HG23 ILE 64 HG23 ILE 64 80.823 -3.048 -8.542 486 HD11 ILE 64 HD11 ILE 64 79.434 -4.284 -11.414 487 HD12 ILE 64 HD12 ILE 64 80.649 -3.621 -10.321 488 HD13 ILE 64 HD13 ILE 64 79.983 -2.620 -11.611 489 H THR 65 HN THR 65 78.474 1.399 -8.353 490 HA THR 65 HA THR 65 79.593 2.859 -6.871 491 HB THR 65 HB THR 65 78.422 3.132 -4.845 492 HG1 THR 65 HG1 THR 65 78.361 0.359 -4.949 493 HG21 THR 65 HG21 THR 65 76.952 3.229 -6.867 494 HG22 THR 65 HG22 THR 65 76.084 2.771 -5.401 495 HG23 THR 65 HG23 THR 65 76.521 1.541 -6.587 496 H VAL 66 HN VAL 66 81.032 0.556 -7.486 497 HA VAL 66 HA VAL 66 83.074 -0.388 -6.798 498 HB VAL 66 HB VAL 66 82.601 0.667 -4.007 499 HG11 VAL 66 HG11 VAL 66 85.164 0.405 -5.591 500 HG12 VAL 66 HG12 VAL 66 84.508 -0.926 -4.638 501 HG13 VAL 66 HG13 VAL 66 84.979 0.578 -3.846 502 HG21 VAL 66 HG21 VAL 66 84.141 2.590 -5.093 503 HG22 VAL 66 HG22 VAL 66 82.382 2.704 -5.058 504 HG23 VAL 66 HG23 VAL 66 83.201 2.155 -6.520 505 H ILE 67 HN ILE 67 80.830 -0.501 -3.993 506 HA ILE 67 HA ILE 67 80.796 -3.470 -4.298 507 HB ILE 67 HB ILE 67 81.321 -1.924 -1.743 508 HG12 ILE 67 HG12 ILE 67 83.164 -2.639 -3.487 509 HG13 ILE 67 HG11 ILE 67 83.438 -2.914 -1.766 510 HG21 ILE 67 HG21 ILE 67 81.409 -4.354 -0.816 511 HG22 ILE 67 HG22 ILE 67 80.441 -4.765 -2.231 512 HG23 ILE 67 HG23 ILE 67 79.828 -3.609 -1.049 513 HD11 ILE 67 HD11 ILE 67 82.091 -5.027 -3.431 514 HD12 ILE 67 HD12 ILE 67 82.999 -5.210 -1.930 515 HD13 ILE 67 HD13 ILE 67 83.849 -4.882 -3.440 516 H1U RCY 68 H1U RCY 68 75.983 1.693 -0.486 517 H1S RCY 68 H1S RCY 68 75.048 0.766 -4.483 518 HB1 RCY 68 HB1 RCY 68 75.077 -2.885 -5.173 519 HB2 RCY 68 HB2 RCY 68 76.568 -3.144 -6.077 520 HA RCY 68 HA RCY 68 76.612 -2.383 -3.153 521 HN1 RCY 68 HN1 RCY 68 78.664 -3.650 -4.928 522 HA PRO 69 HA PRO 69 75.183 -6.178 -1.442 523 HB2 PRO 69 HB2 PRO 69 72.662 -5.666 -2.995 524 HB3 PRO 69 HB1 PRO 69 72.857 -6.163 -1.302 525 HG2 PRO 69 HG2 PRO 69 72.334 -3.625 -2.000 526 HG3 PRO 69 HG1 PRO 69 73.325 -4.038 -0.593 527 HD2 PRO 69 HD2 PRO 69 74.152 -2.805 -3.138 528 HD3 PRO 69 HD1 PRO 69 75.018 -2.869 -1.589 529 H TRP 70 HN TRP 70 74.292 -5.726 -4.878 530 HA TRP 70 HA TRP 70 74.306 -8.611 -5.366 531 HD1 TRP 70 HD1 TRP 70 76.028 -5.593 -7.771 532 HE1 TRP 70 HE1 TRP 70 75.486 -3.076 -7.866 533 HE3 TRP 70 HE3 TRP 70 71.144 -5.688 -6.285 534 HZ2 TRP 70 HZ2 TRP 70 73.269 -1.329 -7.375 535 HZ3 TRP 70 HZ3 TRP 70 69.844 -3.590 -6.107 536 HH2 TRP 70 HH2 TRP 70 70.896 -1.412 -6.649 537 HB2 TRP 70 HB2 TRP 70 74.180 -7.740 -7.827 538 HB3 TRP 70 HB1 TRP 70 72.799 -7.481 -6.763 539 H GLU 71 HN GLU 71 76.801 -7.578 -4.300 540 HA GLU 71 HA GLU 71 78.583 -8.531 -6.464 541 HB2 GLU 71 HB2 GLU 71 78.355 -5.755 -5.734 542 HB3 GLU 71 HB1 GLU 71 79.947 -6.335 -5.250 543 HG2 GLU 71 HG2 GLU 71 78.747 -6.765 -8.001 544 HG3 GLU 71 HG1 GLU 71 79.878 -5.470 -7.606 545 H ALA 72 HN ALA 72 79.074 -6.916 -3.305 546 HA ALA 72 HA ALA 72 81.086 -8.824 -2.506 547 HB1 ALA 72 HB1 ALA 72 81.290 -6.748 -1.436 548 HB2 ALA 72 HB2 ALA 72 80.565 -7.745 -0.176 549 HB3 ALA 72 HB3 ALA 72 79.561 -6.637 -1.110 550 H1U RCY 73 H1U RCY 73 78.912 -3.430 2.972 551 H1S RCY 73 H1S RCY 73 75.316 -6.146 1.231 552 HB1 RCY 73 HB1 RCY 73 77.285 -9.099 1.964 553 HB2 RCY 73 HB2 RCY 73 75.984 -10.174 1.453 554 HA RCY 73 HA RCY 73 78.324 -10.857 0.710 555 HN1 RCY 73 HN1 RCY 73 78.536 -8.231 -0.216 556 H ASN 74 HN ASN 74 75.316 -9.781 -0.679 557 HA ASN 74 HA ASN 74 75.387 -11.319 -3.097 558 HB2 ASN 74 HB2 ASN 74 75.491 -13.246 -1.589 559 HB3 ASN 74 HB1 ASN 74 74.086 -12.655 -0.702 560 HD21 ASN 74 HD21 ASN 74 71.982 -12.637 -1.877 561 HD22 ASN 74 HD22 ASN 74 71.746 -13.666 -3.206 562 H HIS 75 HN HIS 75 73.145 -10.548 -0.410 563 HA HIS 75 HA HIS 75 71.575 -8.853 -2.248 564 HD1 HIS 75 HD1 HIS 75 67.973 -10.591 -0.230 565 HD2 HIS 75 HD2 HIS 75 69.314 -8.519 -3.592 566 HE1 HIS 75 HE1 HIS 75 66.046 -9.132 -0.987 567 HE2 HIS 75 HE2 HIS 75 66.849 -7.866 -3.033 568 HB2 HIS 75 HB2 HIS 75 70.617 -11.137 -2.525 569 HB3 HIS 75 HB1 HIS 75 70.315 -11.198 -0.788 570 H1U RCY 76 H1U RCY 76 73.054 -4.805 0.365 571 H1S RCY 76 H1S RCY 76 69.867 -4.974 3.270 572 HB1 RCY 76 HB1 RCY 76 67.909 -8.792 2.490 573 HB2 RCY 76 HB2 RCY 76 68.057 -8.027 0.908 574 HA RCY 76 HA RCY 76 70.524 -7.503 1.936 575 HN1 RCY 76 HN1 RCY 76 69.682 -9.874 0.320 576 H GLU 77 HN GLU 77 72.023 -8.405 3.350 577 HA GLU 77 HA GLU 77 71.690 -11.005 4.560 578 HB2 GLU 77 HB2 GLU 77 73.458 -8.635 5.200 579 HB3 GLU 77 HB1 GLU 77 73.496 -10.123 6.147 580 HG2 GLU 77 HG2 GLU 77 73.791 -10.151 3.141 581 HG3 GLU 77 HG1 GLU 77 75.181 -9.938 4.207 582 H LEU 78 HN LEU 78 71.219 -11.428 6.820 583 HA LEU 78 HA LEU 78 68.982 -9.891 7.815 584 HG LEU 78 HG LEU 78 68.698 -10.447 10.368 585 HB2 LEU 78 HB2 LEU 78 69.386 -12.382 8.167 586 HB3 LEU 78 HB1 LEU 78 70.610 -11.929 9.352 587 HD11 LEU 78 HD11 LEU 78 67.060 -10.726 8.611 588 HD12 LEU 78 HD12 LEU 78 66.463 -11.573 10.038 589 HD13 LEU 78 HD13 LEU 78 67.184 -12.483 8.710 590 HD21 LEU 78 HD21 LEU 78 68.830 -13.469 10.557 591 HD22 LEU 78 HD22 LEU 78 67.893 -12.470 11.667 592 HD23 LEU 78 HD23 LEU 78 69.646 -12.297 11.591 593 H HIS 79 HN HIS 79 69.140 -8.018 8.942 594 HA HIS 79 HA HIS 79 71.473 -6.708 9.698 595 HD1 HIS 79 HD1 HIS 79 68.576 -6.641 13.198 596 HD2 HIS 79 HD2 HIS 79 67.291 -7.525 9.329 597 HE1 HIS 79 HE1 HIS 79 66.378 -7.877 13.439 598 HE2 HIS 79 HE2 HIS 79 65.585 -8.421 11.091 599 HB2 HIS 79 HB2 HIS 79 70.024 -5.550 11.447 600 HB3 HIS 79 HB1 HIS 79 69.399 -5.511 9.798 601 H GLU 80 HN GLU 80 72.413 -6.371 11.884 602 HA GLU 80 HA GLU 80 71.945 -8.510 13.863 603 HB2 GLU 80 HB2 GLU 80 73.598 -9.476 12.266 604 HB3 GLU 80 HB1 GLU 80 74.667 -8.108 12.581 605 HG2 GLU 80 HG2 GLU 80 74.743 -8.714 14.973 606 HG3 GLU 80 HG1 GLU 80 73.678 -10.085 14.660 607 H LEU 81 HN LEU 81 73.565 -5.548 12.873 608 HA LEU 81 HA LEU 81 74.236 -4.948 15.707 609 HG LEU 81 HG LEU 81 75.880 -3.141 12.228 610 HB2 LEU 81 HB2 LEU 81 75.300 -2.855 14.547 611 HB3 LEU 81 HB1 LEU 81 76.112 -4.411 14.421 612 HD11 LEU 81 HD11 LEU 81 74.379 -5.509 11.558 613 HD12 LEU 81 HD12 LEU 81 75.539 -5.888 12.831 614 HD13 LEU 81 HD13 LEU 81 76.095 -5.185 11.312 615 HD21 LEU 81 HD21 LEU 81 72.988 -4.016 12.420 616 HD22 LEU 81 HD22 LEU 81 73.730 -2.997 11.186 617 HD23 LEU 81 HD23 LEU 81 73.511 -2.381 12.823 618 H ALA 82 HN ALA 82 71.580 -4.701 13.898 619 HA ALA 82 HA ALA 82 70.820 -1.947 14.066 620 HB1 ALA 82 HB1 ALA 82 69.611 -3.620 12.688 621 HB2 ALA 82 HB2 ALA 82 68.520 -2.772 13.783 622 HB3 ALA 82 HB3 ALA 82 69.050 -4.411 14.161 623 H GLN 83 HN GLN 83 70.197 -0.753 15.819 624 HA GLN 83 HA GLN 83 68.886 -1.953 18.117 625 HB2 GLN 83 HB2 GLN 83 71.357 -2.534 18.418 626 HB3 GLN 83 HB1 GLN 83 71.637 -0.805 18.625 627 HG2 GLN 83 HG2 GLN 83 69.975 -0.783 20.476 628 HG3 GLN 83 HG1 GLN 83 69.790 -2.529 20.301 629 HE21 GLN 83 HE21 GLN 83 72.552 -0.203 20.569 630 HE22 GLN 83 HE22 GLN 83 73.423 -1.148 21.678 631 H TYR 84 HN TYR 84 67.672 -0.078 16.890 632 HA TYR 84 HA TYR 84 66.860 2.125 16.952 633 HD1 TYR 84 HD1 TYR 84 66.704 -0.416 19.599 634 HD2 TYR 84 HD2 TYR 84 64.844 3.414 19.029 635 HE1 TYR 84 HE1 TYR 84 64.478 -1.441 19.978 636 HE2 TYR 84 HE2 TYR 84 62.618 2.389 19.408 637 HH TYR 84 HH TYR 84 61.903 -0.609 19.120 638 HB2 TYR 84 HB2 TYR 84 67.995 1.739 19.726 639 HB3 TYR 84 HB1 TYR 84 67.217 3.249 19.252 640 H GLY 85 HN GLY 85 68.221 3.033 15.358 641 HA2 GLY 85 HA2 GLY 85 69.510 5.144 15.091 642 HA3 GLY 85 HA1 GLY 85 70.519 4.617 16.439 643 H ILE 86 HN ILE 86 70.259 1.796 15.175 644 HA ILE 86 HA ILE 86 71.893 0.507 14.055 645 HB ILE 86 HB ILE 86 71.749 0.828 11.613 646 HG12 ILE 86 HG12 ILE 86 70.131 3.310 12.255 647 HG13 ILE 86 HG11 ILE 86 71.828 3.359 11.774 648 HG21 ILE 86 HG21 ILE 86 69.906 -0.358 12.556 649 HG22 ILE 86 HG22 ILE 86 69.190 0.843 11.481 650 HG23 ILE 86 HG23 ILE 86 69.205 1.117 13.224 651 HD11 ILE 86 HD11 ILE 86 70.162 3.668 9.879 652 HD12 ILE 86 HD12 ILE 86 69.693 1.986 10.126 653 HD13 ILE 86 HD13 ILE 86 71.341 2.378 9.639 654 H1U RCY 87 H1U RCY 87 74.994 1.453 5.378 655 H1S RCY 87 H1S RCY 87 78.120 2.128 8.445 656 HB1 RCY 87 HB1 RCY 87 75.426 1.012 10.790 657 HB2 RCY 87 HB2 RCY 87 76.665 0.912 12.038 658 HA RCY 87 HA RCY 87 75.701 2.558 13.318 659 HN1 RCY 87 HN1 RCY 87 73.552 1.202 11.866 Start of MODEL 32 1 HA MET 1 HA MET 1 72.165 -10.094 23.036 2 HB2 MET 1 HB2 MET 1 72.579 -11.950 24.829 3 HB3 MET 1 HB1 MET 1 73.808 -10.707 24.599 4 HG2 MET 1 HG2 MET 1 71.603 -10.347 26.623 5 HG3 MET 1 HG1 MET 1 73.070 -11.238 27.028 6 HE1 MET 1 HE1 MET 1 74.820 -8.492 28.630 7 HE2 MET 1 HE2 MET 1 74.838 -10.200 28.197 8 HE3 MET 1 HE3 MET 1 73.417 -9.511 28.977 9 H ASN 2 HN ASN 2 69.751 -9.260 25.298 10 HA ASN 2 HA ASN 2 68.104 -11.636 24.512 11 HB2 ASN 2 HB2 ASN 2 66.710 -11.011 26.518 12 HB3 ASN 2 HB1 ASN 2 68.356 -11.505 26.916 13 HD21 ASN 2 HD21 ASN 2 69.960 -9.441 26.814 14 HD22 ASN 2 HD22 ASN 2 69.380 -8.068 27.625 15 H LEU 3 HN LEU 3 68.002 -8.105 25.002 16 HA LEU 3 HA LEU 3 65.345 -7.769 23.975 17 HG LEU 3 HG LEU 3 67.914 -5.565 22.604 18 HB2 LEU 3 HB2 LEU 3 65.823 -5.422 23.928 19 HB3 LEU 3 HB1 LEU 3 66.672 -6.073 25.327 20 HD11 LEU 3 HD11 LEU 3 67.535 -3.452 23.660 21 HD12 LEU 3 HD12 LEU 3 69.226 -3.850 23.966 22 HD13 LEU 3 HD13 LEU 3 68.023 -4.075 25.236 23 HD21 LEU 3 HD21 LEU 3 69.119 -7.357 23.556 24 HD22 LEU 3 HD22 LEU 3 68.929 -6.731 25.194 25 HD23 LEU 3 HD23 LEU 3 70.032 -5.938 24.069 26 H GLU 4 HN GLU 4 64.626 -7.357 21.879 27 HA GLU 4 HA GLU 4 66.488 -8.142 19.729 28 HB2 GLU 4 HB2 GLU 4 64.077 -8.990 19.957 29 HB3 GLU 4 HB1 GLU 4 63.578 -7.387 19.417 30 HG2 GLU 4 HG2 GLU 4 64.881 -7.649 17.355 31 HG3 GLU 4 HG1 GLU 4 65.449 -9.229 17.897 32 HA PRO 5 HA PRO 5 67.698 -3.979 18.667 33 HB2 PRO 5 HB2 PRO 5 67.231 -5.029 15.893 34 HB3 PRO 5 HB1 PRO 5 68.606 -4.102 16.527 35 HG2 PRO 5 HG2 PRO 5 68.732 -6.749 16.158 36 HG3 PRO 5 HG1 PRO 5 69.575 -5.943 17.490 37 HD2 PRO 5 HD2 PRO 5 67.211 -7.719 17.588 38 HD3 PRO 5 HD1 PRO 5 68.358 -7.299 18.878 39 HA PRO 6 HA PRO 6 63.618 -2.232 17.919 40 HB2 PRO 6 HB2 PRO 6 64.280 0.401 18.000 41 HB3 PRO 6 HB1 PRO 6 64.241 -0.611 19.459 42 HG2 PRO 6 HG2 PRO 6 66.580 0.265 17.839 43 HG3 PRO 6 HG1 PRO 6 66.409 0.136 19.597 44 HD2 PRO 6 HD2 PRO 6 67.681 -1.758 18.045 45 HD3 PRO 6 HD1 PRO 6 66.923 -2.114 19.612 46 H LYS 7 HN LYS 7 62.466 -1.321 16.144 47 HA LYS 7 HA LYS 7 63.938 -0.121 13.916 48 HB2 LYS 7 HB2 LYS 7 62.965 -1.828 12.285 49 HB3 LYS 7 HB1 LYS 7 64.314 -2.385 13.270 50 HG2 LYS 7 HG2 LYS 7 61.492 -2.767 14.243 51 HG3 LYS 7 HG1 LYS 7 62.181 -3.896 13.076 52 HD2 LYS 7 HD2 LYS 7 64.220 -3.886 14.775 53 HD3 LYS 7 HD1 LYS 7 62.971 -3.393 15.919 54 HE2 LYS 7 HE2 LYS 7 63.099 -5.924 14.276 55 HE3 LYS 7 HE1 LYS 7 62.992 -5.767 16.029 56 HZ1 LYS 7 HZ1 LYS 7 60.827 -4.416 14.865 57 HZ2 LYS 7 HZ2 LYS 7 60.801 -5.782 15.875 58 HZ3 LYS 7 HZ3 LYS 7 60.903 -5.971 14.190 59 H ALA 8 HN ALA 8 60.919 -1.289 15.270 60 HA ALA 8 HA ALA 8 58.692 -0.608 14.868 61 HB1 ALA 8 HB1 ALA 8 59.366 1.271 16.184 62 HB2 ALA 8 HB2 ALA 8 58.518 1.940 14.790 63 HB3 ALA 8 HB3 ALA 8 60.280 1.967 14.846 64 H GLU 9 HN GLU 9 59.466 -1.727 12.582 65 HA GLU 9 HA GLU 9 58.489 0.168 10.486 66 HB2 GLU 9 HB2 GLU 9 60.860 -1.711 10.314 67 HB3 GLU 9 HB1 GLU 9 60.100 -0.985 8.899 68 HG2 GLU 9 HG2 GLU 9 60.700 0.963 11.014 69 HG3 GLU 9 HG1 GLU 9 62.138 0.167 10.373 70 H1U RCY 10 H1U RCY 10 54.461 -4.765 4.478 71 H1S RCY 10 H1S RCY 10 55.039 -0.879 7.147 72 HB1 RCY 10 HB1 RCY 10 54.314 -2.039 11.355 73 HB2 RCY 10 HB2 RCY 10 53.757 -3.321 10.280 74 HA RCY 10 HA RCY 10 56.056 -3.803 10.769 75 HN1 RCY 10 HN1 RCY 10 56.451 -1.046 11.032 76 H ARG 11 HN ARG 11 56.118 -1.353 8.175 77 HA ARG 11 HA ARG 11 55.611 -3.195 6.038 78 HE ARG 11 HE ARG 11 58.268 0.185 4.236 79 HB2 ARG 11 HB2 ARG 11 55.460 -0.670 5.907 80 HB3 ARG 11 HB1 ARG 11 57.223 -0.636 5.863 81 HG2 ARG 11 HG2 ARG 11 57.181 -2.097 3.854 82 HG3 ARG 11 HG1 ARG 11 55.418 -2.051 3.879 83 HD2 ARG 11 HD2 ARG 11 56.151 -0.379 2.306 84 HD3 ARG 11 HD1 ARG 11 55.575 0.470 3.740 85 HH11 ARG 11 HH21 ARG 11 56.363 1.317 1.594 86 HH12 ARG 11 HH22 ARG 11 57.548 2.460 1.057 87 HH21 ARG 11 HH11 ARG 11 59.826 1.672 3.549 88 HH22 ARG 11 HH12 ARG 11 59.508 2.661 2.163 89 H SER 12 HN SER 12 57.013 -5.005 6.603 90 HA SER 12 HA SER 12 59.539 -4.941 5.217 91 HG SER 12 HG SER 12 61.966 -4.960 6.857 92 HB2 SER 12 HB2 SER 12 60.297 -3.768 7.226 93 HB3 SER 12 HB1 SER 12 59.616 -5.030 8.249 94 H ALA 13 HN ALA 13 58.594 -6.703 8.177 95 HA ALA 13 HA ALA 13 58.345 -9.015 8.518 96 HB1 ALA 13 HB1 ALA 13 57.026 -8.667 5.811 97 HB2 ALA 13 HB2 ALA 13 56.235 -8.650 7.387 98 HB3 ALA 13 HB3 ALA 13 56.931 -10.146 6.767 99 H THR 14 HN THR 14 58.691 -11.247 7.196 100 HA THR 14 HA THR 14 61.447 -11.043 6.134 101 HB THR 14 HB THR 14 59.830 -13.558 6.611 102 HG1 THR 14 HG1 THR 14 61.536 -12.160 8.394 103 HG21 THR 14 HG21 THR 14 62.790 -12.936 6.444 104 HG22 THR 14 HG22 THR 14 61.845 -13.900 5.310 105 HG23 THR 14 HG23 THR 14 62.136 -14.495 6.944 106 H ARG 15 HN ARG 15 58.796 -13.222 5.160 107 HA ARG 15 HA ARG 15 58.160 -13.920 3.008 108 HE ARG 15 HE ARG 15 57.103 -9.875 2.060 109 HB2 ARG 15 HB2 ARG 15 57.335 -11.470 3.212 110 HB3 ARG 15 HB1 ARG 15 58.687 -11.075 2.151 111 HG2 ARG 15 HG2 ARG 15 57.725 -13.077 0.709 112 HG3 ARG 15 HG1 ARG 15 56.233 -12.693 1.568 113 HD2 ARG 15 HD2 ARG 15 57.771 -11.038 -0.394 114 HD3 ARG 15 HD1 ARG 15 56.028 -11.258 -0.237 115 HH11 ARG 15 HH21 ARG 15 56.215 -9.577 -1.258 116 HH12 ARG 15 HH22 ARG 15 55.858 -7.886 -1.148 117 HH21 ARG 15 HH11 ARG 15 56.642 -7.668 2.222 118 HH22 ARG 15 HH12 ARG 15 56.099 -6.805 0.822 119 H VAL 16 HN VAL 16 59.348 -12.099 0.706 120 HA VAL 16 HA VAL 16 62.157 -12.910 0.695 121 HB VAL 16 HB VAL 16 61.296 -15.045 0.058 122 HG11 VAL 16 HG11 VAL 16 59.732 -14.737 -2.202 123 HG12 VAL 16 HG12 VAL 16 59.215 -13.391 -1.187 124 HG13 VAL 16 HG13 VAL 16 59.121 -15.043 -0.576 125 HG21 VAL 16 HG21 VAL 16 62.951 -13.652 -1.569 126 HG22 VAL 16 HG22 VAL 16 61.637 -13.982 -2.699 127 HG23 VAL 16 HG23 VAL 16 62.467 -15.316 -1.897 128 H MET 17 HN MET 17 60.389 -12.781 -2.317 129 HA MET 17 HA MET 17 60.609 -9.906 -2.645 130 HB2 MET 17 HB2 MET 17 62.669 -9.714 -3.559 131 HB3 MET 17 HB1 MET 17 62.971 -11.369 -3.045 132 HG2 MET 17 HG2 MET 17 61.720 -10.571 -5.696 133 HG3 MET 17 HG1 MET 17 63.394 -11.080 -5.478 134 HE1 MET 17 HE1 MET 17 62.381 -14.239 -7.160 135 HE2 MET 17 HE2 MET 17 63.352 -12.769 -7.110 136 HE3 MET 17 HE3 MET 17 61.662 -12.686 -7.603 137 H GLY 18 HN GLY 18 60.030 -9.291 -4.959 138 HA2 GLY 18 HA2 GLY 18 59.159 -10.217 -7.141 139 HA3 GLY 18 HA1 GLY 18 58.291 -11.408 -6.171 140 H GLY 19 HN GLY 19 56.158 -10.914 -6.112 141 HA2 GLY 19 HA2 GLY 19 54.187 -9.637 -6.044 142 HA3 GLY 19 HA1 GLY 19 55.084 -8.594 -4.939 143 HA PRO 20 HA PRO 20 53.998 -6.187 -8.809 144 HB2 PRO 20 HB2 PRO 20 53.570 -4.069 -6.775 145 HB3 PRO 20 HB1 PRO 20 52.508 -4.593 -8.095 146 HG2 PRO 20 HG2 PRO 20 51.980 -5.148 -5.531 147 HG3 PRO 20 HG1 PRO 20 51.556 -6.256 -6.846 148 HD2 PRO 20 HD2 PRO 20 53.809 -6.444 -4.878 149 HD3 PRO 20 HD1 PRO 20 52.828 -7.741 -5.597 150 H1U RCY 21 H1U RCY 21 62.027 -0.207 -10.345 151 H1S RCY 21 H1S RCY 21 60.340 -3.906 -8.445 152 HB1 RCY 21 HB1 RCY 21 58.493 -5.915 -5.709 153 HB2 RCY 21 HB2 RCY 21 58.032 -4.217 -5.594 154 HA RCY 21 HA RCY 21 57.877 -4.003 -7.971 155 HN1 RCY 21 HN1 RCY 21 56.630 -6.637 -7.280 156 H THR 22 HN THR 22 59.482 -4.124 -9.466 157 HA THR 22 HA THR 22 60.928 -6.688 -9.850 158 HB THR 22 HB THR 22 59.278 -6.994 -11.502 159 HG1 THR 22 HG1 THR 22 61.564 -6.832 -12.258 160 HG21 THR 22 HG21 THR 22 58.806 -4.959 -13.094 161 HG22 THR 22 HG22 THR 22 59.436 -4.006 -11.751 162 HG23 THR 22 HG23 THR 22 58.019 -5.030 -11.517 163 HA PRO 23 HA PRO 23 63.882 -3.166 -9.596 164 HB2 PRO 23 HB2 PRO 23 65.711 -5.530 -9.748 165 HB3 PRO 23 HB1 PRO 23 65.758 -4.133 -8.653 166 HG2 PRO 23 HG2 PRO 23 64.893 -6.506 -7.828 167 HG3 PRO 23 HG1 PRO 23 64.139 -5.005 -7.265 168 HD2 PRO 23 HD2 PRO 23 63.106 -7.008 -9.231 169 HD3 PRO 23 HD1 PRO 23 62.210 -5.978 -8.092 170 H ARG 24 HN ARG 24 63.904 -5.865 -11.894 171 HA ARG 24 HA ARG 24 64.620 -5.970 -14.128 172 HE ARG 24 HE ARG 24 59.942 -4.374 -14.668 173 HB2 ARG 24 HB2 ARG 24 64.103 -2.987 -13.907 174 HB3 ARG 24 HB1 ARG 24 64.372 -3.848 -15.423 175 HG2 ARG 24 HG2 ARG 24 62.351 -5.012 -15.275 176 HG3 ARG 24 HG1 ARG 24 62.246 -4.806 -13.527 177 HD2 ARG 24 HD2 ARG 24 61.901 -2.353 -13.887 178 HD3 ARG 24 HD1 ARG 24 61.862 -2.652 -15.625 179 HH11 ARG 24 HH21 ARG 24 60.664 -1.030 -14.242 180 HH12 ARG 24 HH22 ARG 24 59.013 -0.567 -14.000 181 HH21 ARG 24 HH11 ARG 24 57.781 -3.789 -14.355 182 HH22 ARG 24 HH12 ARG 24 57.380 -2.130 -14.064 183 H LYS 25 HN LYS 25 66.752 -6.528 -14.272 184 HA LYS 25 HA LYS 25 68.795 -4.391 -13.778 185 HB2 LYS 25 HB2 LYS 25 68.881 -7.394 -13.463 186 HB3 LYS 25 HB1 LYS 25 70.359 -6.439 -13.591 187 HG2 LYS 25 HG2 LYS 25 69.866 -5.214 -11.614 188 HG3 LYS 25 HG1 LYS 25 68.190 -5.765 -11.599 189 HD2 LYS 25 HD2 LYS 25 69.438 -7.012 -9.922 190 HD3 LYS 25 HD1 LYS 25 69.016 -8.102 -11.243 191 HE2 LYS 25 HE2 LYS 25 71.432 -8.231 -10.408 192 HE3 LYS 25 HE1 LYS 25 71.221 -8.022 -12.147 193 HZ1 LYS 25 HZ1 LYS 25 72.096 -5.978 -12.091 194 HZ2 LYS 25 HZ2 LYS 25 72.765 -6.464 -10.606 195 HZ3 LYS 25 HZ3 LYS 25 71.326 -5.562 -10.638 196 H GLY 26 HN GLY 26 68.170 -7.263 -15.832 197 HA2 GLY 26 HA2 GLY 26 68.940 -7.741 -18.005 198 HA3 GLY 26 HA1 GLY 26 68.525 -6.056 -18.315 199 HA PRO 27 HA PRO 27 73.119 -6.804 -19.092 200 HB2 PRO 27 HB2 PRO 27 72.414 -4.740 -21.137 201 HB3 PRO 27 HB1 PRO 27 73.421 -6.192 -21.302 202 HG2 PRO 27 HG2 PRO 27 70.954 -6.087 -22.294 203 HG3 PRO 27 HG1 PRO 27 71.612 -7.575 -21.593 204 HD2 PRO 27 HD2 PRO 27 69.592 -5.691 -20.453 205 HD3 PRO 27 HD1 PRO 27 69.747 -7.448 -20.235 206 HA PRO 28 HA PRO 28 74.789 -3.429 -16.773 207 HB2 PRO 28 HB2 PRO 28 76.386 -2.742 -19.218 208 HB3 PRO 28 HB1 PRO 28 76.925 -2.930 -17.538 209 HG2 PRO 28 HG2 PRO 28 77.321 -4.833 -19.376 210 HG3 PRO 28 HG1 PRO 28 77.003 -5.214 -17.677 211 HD2 PRO 28 HD2 PRO 28 75.246 -5.589 -20.031 212 HD3 PRO 28 HD1 PRO 28 75.198 -6.396 -18.449 213 H LYS 29 HN LYS 29 73.993 -1.398 -16.391 214 HA LYS 29 HA LYS 29 72.839 0.110 -18.708 215 HB2 LYS 29 HB2 LYS 29 72.156 0.308 -15.758 216 HB3 LYS 29 HB1 LYS 29 71.354 1.171 -17.069 217 HG2 LYS 29 HG2 LYS 29 70.080 -0.622 -17.600 218 HG3 LYS 29 HG1 LYS 29 71.465 -1.713 -17.547 219 HD2 LYS 29 HD2 LYS 29 70.216 -0.645 -15.017 220 HD3 LYS 29 HD1 LYS 29 69.590 -2.091 -15.808 221 HE2 LYS 29 HE2 LYS 29 71.451 -3.343 -15.304 222 HE3 LYS 29 HE1 LYS 29 72.535 -1.955 -15.384 223 HZ1 LYS 29 HZ1 LYS 29 70.639 -1.678 -13.281 224 HZ2 LYS 29 HZ2 LYS 29 72.336 -1.628 -13.215 225 HZ3 LYS 29 HZ3 LYS 29 71.523 -3.116 -13.113 226 H1U RCY 30 H1U RCY 30 73.791 7.432 -9.844 227 H1S RCY 30 H1S RCY 30 73.837 3.769 -12.538 228 HB1 RCY 30 HB1 RCY 30 73.009 4.806 -16.773 229 HB2 RCY 30 HB2 RCY 30 74.329 5.457 -15.800 230 HA RCY 30 HA RCY 30 75.162 3.602 -17.158 231 HN1 RCY 30 HN1 RCY 30 72.751 2.187 -16.234 232 H LYS 31 HN LYS 31 74.977 1.101 -15.231 233 HA LYS 31 HA LYS 31 76.346 2.168 -12.858 234 HB2 LYS 31 HB2 LYS 31 74.975 0.405 -12.225 235 HB3 LYS 31 HB1 LYS 31 75.245 -0.477 -13.724 236 HG2 LYS 31 HG2 LYS 31 77.618 -0.065 -11.964 237 HG3 LYS 31 HG1 LYS 31 76.403 -1.215 -11.405 238 HD2 LYS 31 HD2 LYS 31 76.660 -2.594 -13.300 239 HD3 LYS 31 HD1 LYS 31 77.447 -1.320 -14.232 240 HE2 LYS 31 HE2 LYS 31 79.457 -1.494 -12.960 241 HE3 LYS 31 HE1 LYS 31 78.673 -2.471 -11.719 242 HZ1 LYS 31 HZ1 LYS 31 78.908 -4.325 -12.919 243 HZ2 LYS 31 HZ2 LYS 31 80.088 -3.458 -13.780 244 HZ3 LYS 31 HZ3 LYS 31 78.503 -3.567 -14.381 245 H GLN 32 HN GLN 32 77.134 0.668 -15.889 246 HA GLN 32 HA GLN 32 80.006 0.498 -15.053 247 HB2 GLN 32 HB2 GLN 32 78.878 -1.621 -15.886 248 HB3 GLN 32 HB1 GLN 32 78.727 -0.833 -17.456 249 HG2 GLN 32 HG2 GLN 32 81.073 -0.715 -17.751 250 HG3 GLN 32 HG1 GLN 32 81.387 -1.023 -16.043 251 HE21 GLN 32 HE21 GLN 32 82.103 -3.120 -15.684 252 HE22 GLN 32 HE22 GLN 32 81.644 -4.481 -16.589 253 H ARG 33 HN ARG 33 79.461 3.027 -15.539 254 HA ARG 33 HA ARG 33 80.937 3.634 -17.937 255 HE ARG 33 HE ARG 33 81.144 2.684 -19.605 256 HB2 ARG 33 HB2 ARG 33 78.717 3.111 -18.939 257 HB3 ARG 33 HB1 ARG 33 77.995 4.368 -17.938 258 HG2 ARG 33 HG2 ARG 33 78.483 5.225 -20.199 259 HG3 ARG 33 HG1 ARG 33 79.465 6.052 -18.989 260 HD2 ARG 33 HD2 ARG 33 80.554 5.060 -21.215 261 HD3 ARG 33 HD1 ARG 33 81.421 5.038 -19.679 262 HH11 ARG 33 HH21 ARG 33 79.188 4.190 -22.012 263 HH12 ARG 33 HH22 ARG 33 78.708 2.697 -22.746 264 HH21 ARG 33 HH11 ARG 33 80.528 0.725 -20.550 265 HH22 ARG 33 HH12 ARG 33 79.467 0.735 -21.919 266 H GLN 34 HN GLN 34 79.130 4.589 -15.130 267 HA GLN 34 HA GLN 34 80.362 7.319 -15.288 268 HB2 GLN 34 HB2 GLN 34 78.557 8.066 -13.788 269 HB3 GLN 34 HB1 GLN 34 77.897 7.365 -15.264 270 HG2 GLN 34 HG2 GLN 34 76.641 6.075 -13.882 271 HG3 GLN 34 HG1 GLN 34 78.126 5.160 -13.615 272 HE21 GLN 34 HE21 GLN 34 78.495 4.871 -11.418 273 HE22 GLN 34 HE22 GLN 34 78.146 6.009 -10.208 274 H THR 35 HN THR 35 81.806 5.024 -14.332 275 HA THR 35 HA THR 35 82.289 5.945 -11.545 276 HB THR 35 HB THR 35 82.104 3.006 -12.265 277 HG1 THR 35 HG1 THR 35 80.207 3.330 -10.746 278 HG21 THR 35 HG21 THR 35 82.187 2.709 -9.828 279 HG22 THR 35 HG22 THR 35 82.276 4.456 -9.608 280 HG23 THR 35 HG23 THR 35 83.604 3.597 -10.388 281 H ARG 36 HN ARG 36 84.231 6.886 -12.317 282 HA ARG 36 HA ARG 36 86.252 5.006 -13.464 283 HE ARG 36 HE ARG 36 86.838 4.731 -15.111 284 HB2 ARG 36 HB2 ARG 36 86.196 8.039 -13.359 285 HB3 ARG 36 HB1 ARG 36 87.485 7.076 -14.081 286 HG2 ARG 36 HG2 ARG 36 84.805 6.338 -15.037 287 HG3 ARG 36 HG1 ARG 36 85.256 7.998 -15.429 288 HD2 ARG 36 HD2 ARG 36 85.954 6.316 -17.170 289 HD3 ARG 36 HD1 ARG 36 87.290 7.259 -16.510 290 HH11 ARG 36 HH21 ARG 36 88.352 6.395 -17.723 291 HH12 ARG 36 HH22 ARG 36 89.635 5.244 -17.888 292 HH21 ARG 36 HH11 ARG 36 88.506 3.218 -15.311 293 HH22 ARG 36 HH12 ARG 36 89.723 3.445 -16.522 294 H GLN 37 HN GLN 37 85.494 5.109 -10.600 295 HA GLN 37 HA GLN 37 88.184 5.240 -9.506 296 HB2 GLN 37 HB2 GLN 37 87.395 7.668 -9.563 297 HB3 GLN 37 HB1 GLN 37 86.186 7.204 -8.365 298 HG2 GLN 37 HG2 GLN 37 88.133 6.251 -6.994 299 HG3 GLN 37 HG1 GLN 37 89.195 7.130 -8.095 300 HE21 GLN 37 HE21 GLN 37 89.352 7.983 -5.505 301 HE22 GLN 37 HE22 GLN 37 88.524 9.448 -5.284 302 H1U RCY 38 H1U RCY 38 83.703 -1.820 -1.784 303 H1S RCY 38 H1S RCY 38 85.048 1.308 -4.816 304 HB1 RCY 38 HB1 RCY 38 85.010 2.168 -8.574 305 HB2 RCY 38 HB2 RCY 38 84.437 2.865 -7.063 306 HA RCY 38 HA RCY 38 86.564 2.931 -6.130 307 HN1 RCY 38 HN1 RCY 38 87.918 3.222 -8.604 308 H LYS 39 HN LYS 39 88.514 1.886 -5.607 309 HA LYS 39 HA LYS 39 89.179 -0.604 -7.106 310 HB2 LYS 39 HB2 LYS 39 90.765 0.986 -5.067 311 HB3 LYS 39 HB1 LYS 39 91.341 -0.464 -5.890 312 HG2 LYS 39 HG2 LYS 39 91.470 0.602 -7.966 313 HG3 LYS 39 HG1 LYS 39 90.314 1.853 -7.506 314 HD2 LYS 39 HD2 LYS 39 91.970 2.797 -5.929 315 HD3 LYS 39 HD1 LYS 39 93.131 1.562 -6.420 316 HE2 LYS 39 HE2 LYS 39 93.398 2.474 -8.557 317 HE3 LYS 39 HE1 LYS 39 91.848 3.313 -8.500 318 HZ1 LYS 39 HZ1 LYS 39 94.221 4.471 -8.031 319 HZ2 LYS 39 HZ2 LYS 39 93.723 4.099 -6.450 320 HZ3 LYS 39 HZ3 LYS 39 92.739 5.058 -7.449 321 H SER 40 HN SER 40 90.356 -0.347 -3.900 322 HA SER 40 HA SER 40 88.153 -1.820 -2.651 323 HG SER 40 HG SER 40 89.189 -4.458 -1.637 324 HB2 SER 40 HB2 SER 40 89.035 -3.762 -3.610 325 HB3 SER 40 HB1 SER 40 90.689 -3.157 -3.554 326 H LYS 41 HN LYS 41 90.238 0.514 -2.401 327 HA LYS 41 HA LYS 41 90.919 -0.038 0.464 328 HB2 LYS 41 HB2 LYS 41 92.843 0.151 -1.306 329 HB3 LYS 41 HB1 LYS 41 92.486 1.876 -1.261 330 HG2 LYS 41 HG2 LYS 41 94.082 1.729 0.423 331 HG3 LYS 41 HG1 LYS 41 92.602 1.512 1.358 332 HD2 LYS 41 HD2 LYS 41 92.932 -1.022 0.867 333 HD3 LYS 41 HD1 LYS 41 94.592 -0.571 0.476 334 HE2 LYS 41 HE2 LYS 41 94.619 -1.142 2.792 335 HE3 LYS 41 HE1 LYS 41 94.647 0.621 2.740 336 HZ1 LYS 41 HZ1 LYS 41 92.508 -1.182 3.571 337 HZ2 LYS 41 HZ2 LYS 41 92.050 0.245 2.770 338 HZ3 LYS 41 HZ3 LYS 41 92.961 0.326 4.202 339 HA PRO 42 HA PRO 42 88.287 3.730 0.267 340 HB2 PRO 42 HB2 PRO 42 86.382 2.955 2.019 341 HB3 PRO 42 HB1 PRO 42 86.384 2.404 0.333 342 HG2 PRO 42 HG2 PRO 42 87.172 0.953 2.791 343 HG3 PRO 42 HG1 PRO 42 86.412 0.346 1.313 344 HD2 PRO 42 HD2 PRO 42 89.152 0.162 1.959 345 HD3 PRO 42 HD1 PRO 42 88.433 -0.128 0.360 346 HA PRO 43 HA PRO 43 89.950 5.582 3.940 347 HB2 PRO 43 HB2 PRO 43 88.113 7.552 4.445 348 HB3 PRO 43 HB1 PRO 43 89.275 7.630 3.106 349 HG2 PRO 43 HG2 PRO 43 86.397 6.872 3.063 350 HG3 PRO 43 HG1 PRO 43 87.330 7.837 1.906 351 HD2 PRO 43 HD2 PRO 43 86.698 5.207 1.476 352 HD3 PRO 43 HD1 PRO 43 88.159 5.971 0.812 353 H LYS 44 HN LYS 44 89.905 4.703 5.969 354 HA LYS 44 HA LYS 44 87.311 3.757 7.060 355 HB2 LYS 44 HB2 LYS 44 89.300 2.242 7.053 356 HB3 LYS 44 HB1 LYS 44 90.120 3.364 8.136 357 HG2 LYS 44 HG2 LYS 44 87.415 2.602 9.025 358 HG3 LYS 44 HG1 LYS 44 88.560 1.262 8.973 359 HD2 LYS 44 HD2 LYS 44 89.381 3.872 10.215 360 HD3 LYS 44 HD1 LYS 44 88.408 2.730 11.142 361 HE2 LYS 44 HE2 LYS 44 90.981 1.962 9.743 362 HE3 LYS 44 HE1 LYS 44 90.910 2.463 11.432 363 HZ1 LYS 44 HZ1 LYS 44 90.514 -0.066 10.472 364 HZ2 LYS 44 HZ2 LYS 44 88.946 0.488 10.819 365 HZ3 LYS 44 HZ3 LYS 44 90.136 0.486 12.031 366 H LYS 45 HN LYS 45 89.624 6.301 7.456 367 HA LYS 45 HA LYS 45 88.716 6.982 10.171 368 HB2 LYS 45 HB2 LYS 45 91.086 7.365 9.166 369 HB3 LYS 45 HB1 LYS 45 90.364 8.763 8.375 370 HG2 LYS 45 HG2 LYS 45 90.830 9.876 10.297 371 HG3 LYS 45 HG1 LYS 45 89.449 9.011 10.973 372 HD2 LYS 45 HD2 LYS 45 92.283 7.937 10.986 373 HD3 LYS 45 HD1 LYS 45 91.548 8.791 12.343 374 HE2 LYS 45 HE2 LYS 45 89.679 7.074 12.271 375 HE3 LYS 45 HE1 LYS 45 90.664 6.164 11.127 376 HZ1 LYS 45 HZ1 LYS 45 90.904 6.349 13.951 377 HZ2 LYS 45 HZ2 LYS 45 92.352 6.813 13.195 378 HZ3 LYS 45 HZ3 LYS 45 91.676 5.288 12.877 379 H GLY 46 HN GLY 46 86.443 6.959 8.870 380 HA2 GLY 46 HA2 GLY 46 85.612 9.061 7.235 381 HA3 GLY 46 HA1 GLY 46 84.568 8.317 8.447 382 H VAL 47 HN VAL 47 85.970 11.207 7.528 383 HA VAL 47 HA VAL 47 86.362 12.313 10.212 384 HB VAL 47 HB VAL 47 86.335 14.513 8.683 385 HG11 VAL 47 HG11 VAL 47 88.765 14.033 8.188 386 HG12 VAL 47 HG12 VAL 47 88.498 12.392 8.778 387 HG13 VAL 47 HG13 VAL 47 88.302 13.765 9.868 388 HG21 VAL 47 HG21 VAL 47 86.900 14.093 6.403 389 HG22 VAL 47 HG22 VAL 47 85.510 13.060 6.735 390 HG23 VAL 47 HG23 VAL 47 87.133 12.370 6.702 391 H GLN 48 HN GLN 48 84.023 12.928 7.558 392 HA GLN 48 HA GLN 48 81.777 13.030 9.328 393 HB2 GLN 48 HB2 GLN 48 81.334 15.518 9.103 394 HB3 GLN 48 HB1 GLN 48 82.664 15.095 10.179 395 HG2 GLN 48 HG2 GLN 48 84.153 15.351 8.050 396 HG3 GLN 48 HG1 GLN 48 82.784 16.255 7.401 397 HE21 GLN 48 HE21 GLN 48 85.009 16.170 10.225 398 HE22 GLN 48 HE22 GLN 48 84.904 17.833 10.550 399 H GLY 49 HN GLY 49 80.885 11.788 7.616 400 HA2 GLY 49 HA2 GLY 49 79.317 11.779 5.812 401 HA3 GLY 49 HA1 GLY 49 79.818 13.419 5.400 402 H1U RCY 50 H1U RCY 50 81.633 6.863 3.745 403 H1S RCY 50 H1S RCY 50 81.498 10.931 3.336 404 HB1 RCY 50 HB1 RCY 50 82.859 11.897 0.990 405 HB2 RCY 50 HB2 RCY 50 82.625 13.566 1.508 406 HA RCY 50 HA RCY 50 83.101 11.116 3.198 407 HN1 RCY 50 HN1 RCY 50 82.151 13.566 4.547 408 H GLY 51 HN GLY 51 85.313 11.144 3.075 409 HA2 GLY 51 HA2 GLY 51 86.678 13.759 3.597 410 HA3 GLY 51 HA1 GLY 51 87.273 12.221 4.223 411 H ASP 52 HN ASP 52 86.394 11.028 1.501 412 HA ASP 52 HA ASP 52 88.260 12.258 -0.388 413 HB2 ASP 52 HB2 ASP 52 89.117 10.088 1.359 414 HB3 ASP 52 HB1 ASP 52 89.219 9.611 -0.335 415 H ASP 53 HN ASP 53 88.305 10.933 -2.463 416 HA ASP 53 HA ASP 53 87.005 10.052 -4.216 417 HB2 ASP 53 HB2 ASP 53 87.696 8.017 -2.828 418 HB3 ASP 53 HB1 ASP 53 86.081 8.075 -2.121 419 H ILE 54 HN ILE 54 85.736 12.218 -3.013 420 HA ILE 54 HA ILE 54 83.152 11.809 -1.984 421 HB ILE 54 HB ILE 54 82.622 14.034 -3.155 422 HG12 ILE 54 HG12 ILE 54 85.577 13.899 -3.815 423 HG13 ILE 54 HG11 ILE 54 84.309 13.583 -5.000 424 HG21 ILE 54 HG21 ILE 54 84.251 15.276 -1.705 425 HG22 ILE 54 HG22 ILE 54 85.074 13.748 -1.394 426 HG23 ILE 54 HG23 ILE 54 83.410 13.978 -0.856 427 HD11 ILE 54 HD11 ILE 54 83.412 15.812 -4.736 428 HD12 ILE 54 HD12 ILE 54 85.149 15.961 -5.007 429 HD13 ILE 54 HD13 ILE 54 84.492 16.136 -3.379 430 HA PRO 55 HA PRO 55 80.955 9.987 -5.375 431 HB2 PRO 55 HB2 PRO 55 78.404 10.811 -4.826 432 HB3 PRO 55 HB1 PRO 55 79.242 9.561 -3.886 433 HG2 PRO 55 HG2 PRO 55 78.835 12.440 -3.250 434 HG3 PRO 55 HG1 PRO 55 78.755 11.025 -2.187 435 HD2 PRO 55 HD2 PRO 55 80.934 12.684 -2.292 436 HD3 PRO 55 HD1 PRO 55 81.050 10.959 -1.878 437 H GLY 56 HN GLY 56 80.265 13.427 -4.746 438 HA2 GLY 56 HA2 GLY 56 80.706 14.149 -7.500 439 HA3 GLY 56 HA1 GLY 56 78.979 14.108 -7.145 440 H MET 57 HN MET 57 79.367 14.943 -4.338 441 HA MET 57 HA MET 57 80.764 17.447 -4.225 442 HB2 MET 57 HB2 MET 57 78.674 18.904 -4.195 443 HB3 MET 57 HB1 MET 57 79.152 18.303 -5.783 444 HG2 MET 57 HG2 MET 57 77.393 16.793 -5.895 445 HG3 MET 57 HG1 MET 57 77.259 16.661 -4.141 446 HE1 MET 57 HE1 MET 57 74.780 16.698 -4.372 447 HE2 MET 57 HE2 MET 57 73.975 18.209 -3.957 448 HE3 MET 57 HE3 MET 57 75.289 17.612 -2.947 449 H GLU 58 HN GLU 58 79.700 14.936 -2.727 450 HA GLU 58 HA GLU 58 78.872 14.388 -0.612 451 HB2 GLU 58 HB2 GLU 58 80.021 15.573 1.196 452 HB3 GLU 58 HB1 GLU 58 81.140 15.242 -0.123 453 HG2 GLU 58 HG2 GLU 58 81.013 17.506 -0.917 454 HG3 GLU 58 HG1 GLU 58 79.652 17.867 0.145 455 H GLY 59 HN GLY 59 77.949 15.593 1.509 456 HA2 GLY 59 HA2 GLY 59 75.935 16.531 2.306 457 HA3 GLY 59 HA1 GLY 59 76.477 17.955 1.417 458 H1U RCY 60 H1U RCY 60 75.928 8.682 -1.874 459 H1S RCY 60 H1S RCY 60 71.852 11.296 -2.359 460 HB1 RCY 60 HB1 RCY 60 73.838 13.137 -0.665 461 HB2 RCY 60 HB2 RCY 60 74.623 13.956 -2.014 462 HA RCY 60 HA RCY 60 73.465 16.033 -1.481 463 HN1 RCY 60 HN1 RCY 60 74.929 14.790 0.798 464 H GLY 61 HN GLY 61 71.954 13.267 -0.297 465 HA2 GLY 61 HA2 GLY 61 69.880 14.933 1.072 466 HA3 GLY 61 HA1 GLY 61 69.519 13.460 0.169 467 H THR 62 HN THR 62 71.554 14.526 2.904 468 HA THR 62 HA THR 62 72.238 12.228 4.175 469 HB THR 62 HB THR 62 71.663 13.388 6.374 470 HG1 THR 62 HG1 THR 62 70.245 14.903 6.214 471 HG21 THR 62 HG21 THR 62 73.109 15.095 4.333 472 HG22 THR 62 HG22 THR 62 73.814 13.671 5.099 473 HG23 THR 62 HG23 THR 62 73.372 15.071 6.076 474 H ASP 63 HN ASP 63 71.022 10.379 4.131 475 HA ASP 63 HA ASP 63 68.232 10.136 4.156 476 HB2 ASP 63 HB2 ASP 63 70.090 8.319 3.902 477 HB3 ASP 63 HB1 ASP 63 69.962 8.181 5.655 478 H ILE 64 HN ILE 64 70.415 9.957 6.991 479 HA ILE 64 HA ILE 64 68.058 10.557 8.721 480 HB ILE 64 HB ILE 64 70.590 9.005 9.140 481 HG12 ILE 64 HG12 ILE 64 68.416 7.894 8.648 482 HG13 ILE 64 HG11 ILE 64 69.034 7.459 10.242 483 HG21 ILE 64 HG21 ILE 64 69.109 10.611 11.222 484 HG22 ILE 64 HG22 ILE 64 70.847 10.519 10.940 485 HG23 ILE 64 HG23 ILE 64 69.996 9.150 11.655 486 HD11 ILE 64 HD11 ILE 64 66.610 8.962 9.520 487 HD12 ILE 64 HD12 ILE 64 67.565 9.721 10.794 488 HD13 ILE 64 HD13 ILE 64 66.982 8.068 10.994 489 H THR 65 HN THR 65 71.536 11.202 8.493 490 HA THR 65 HA THR 65 71.190 14.070 8.802 491 HB THR 65 HB THR 65 72.533 12.539 11.062 492 HG1 THR 65 HG1 THR 65 70.230 12.406 11.061 493 HG21 THR 65 HG21 THR 65 71.788 15.458 11.016 494 HG22 THR 65 HG22 THR 65 73.322 14.904 10.344 495 HG23 THR 65 HG23 THR 65 72.958 14.635 12.048 496 H VAL 66 HN VAL 66 73.030 11.176 8.567 497 HA VAL 66 HA VAL 66 74.895 12.207 6.685 498 HB VAL 66 HB VAL 66 76.905 11.716 8.415 499 HG11 VAL 66 HG11 VAL 66 75.829 13.955 7.168 500 HG12 VAL 66 HG12 VAL 66 77.367 13.897 8.029 501 HG13 VAL 66 HG13 VAL 66 75.909 14.430 8.865 502 HG21 VAL 66 HG21 VAL 66 76.444 12.226 10.638 503 HG22 VAL 66 HG22 VAL 66 74.944 11.423 10.174 504 HG23 VAL 66 HG23 VAL 66 75.021 13.184 10.230 505 H ILE 67 HN ILE 67 74.639 9.884 9.390 506 HA ILE 67 HA ILE 67 75.033 7.688 7.412 507 HB ILE 67 HB ILE 67 76.580 8.199 9.953 508 HG12 ILE 67 HG12 ILE 67 78.339 7.110 8.321 509 HG13 ILE 67 HG11 ILE 67 77.152 7.517 7.081 510 HG21 ILE 67 HG21 ILE 67 75.911 6.046 10.511 511 HG22 ILE 67 HG22 ILE 67 77.320 5.692 9.512 512 HG23 ILE 67 HG23 ILE 67 75.699 5.564 8.828 513 HD11 ILE 67 HD11 ILE 67 77.714 9.674 9.023 514 HD12 ILE 67 HD12 ILE 67 77.530 9.756 7.271 515 HD13 ILE 67 HD13 ILE 67 79.065 9.245 7.974 516 H1U RCY 68 H1U RCY 68 71.901 3.201 1.824 517 H1S RCY 68 H1S RCY 68 70.094 5.235 5.193 518 HB1 RCY 68 HB1 RCY 68 70.510 6.881 7.455 519 HB2 RCY 68 HB2 RCY 68 69.632 5.907 8.633 520 HA RCY 68 HA RCY 68 71.313 6.903 9.946 521 HN1 RCY 68 HN1 RCY 68 72.805 7.127 7.518 522 HA PRO 69 HA PRO 69 72.754 3.310 12.082 523 HB2 PRO 69 HB2 PRO 69 69.989 2.235 11.608 524 HB3 PRO 69 HB1 PRO 69 70.946 2.255 13.103 525 HG2 PRO 69 HG2 PRO 69 68.985 4.020 12.648 526 HG3 PRO 69 HG1 PRO 69 70.446 4.447 13.551 527 HD2 PRO 69 HD2 PRO 69 69.610 5.314 10.851 528 HD3 PRO 69 HD1 PRO 69 70.791 6.053 11.955 529 H TRP 70 HN TRP 70 70.869 2.815 9.114 530 HA TRP 70 HA TRP 70 71.940 0.137 8.665 531 HD1 TRP 70 HD1 TRP 70 70.548 -1.458 5.875 532 HE1 TRP 70 HE1 TRP 70 68.875 -3.136 6.886 533 HE3 TRP 70 HE3 TRP 70 68.674 1.361 9.698 534 HZ2 TRP 70 HZ2 TRP 70 66.987 -3.268 9.037 535 HZ3 TRP 70 HZ3 TRP 70 66.944 0.438 11.209 536 HH2 TRP 70 HH2 TRP 70 66.098 -1.869 10.886 537 HB2 TRP 70 HB2 TRP 70 70.009 1.934 7.374 538 HB3 TRP 70 HB1 TRP 70 71.000 1.062 6.207 539 H GLU 71 HN GLU 71 72.806 3.422 7.769 540 HA GLU 71 HA GLU 71 74.803 2.527 5.805 541 HB2 GLU 71 HB2 GLU 71 73.507 4.995 6.462 542 HB3 GLU 71 HB1 GLU 71 75.240 5.246 6.642 543 HG2 GLU 71 HG2 GLU 71 74.087 3.878 4.209 544 HG3 GLU 71 HG1 GLU 71 74.243 5.633 4.297 545 H ALA 72 HN ALA 72 74.662 2.341 9.055 546 HA ALA 72 HA ALA 72 77.210 3.395 9.878 547 HB1 ALA 72 HB1 ALA 72 75.726 1.065 11.119 548 HB2 ALA 72 HB2 ALA 72 75.282 2.749 11.398 549 HB3 ALA 72 HB3 ALA 72 76.862 2.156 11.912 550 H1U RCY 73 H1U RCY 73 78.748 0.069 3.645 551 H1S RCY 73 H1S RCY 73 81.964 -1.380 6.897 552 HB1 RCY 73 HB1 RCY 73 81.610 0.449 10.569 553 HB2 RCY 73 HB2 RCY 73 81.267 1.944 9.700 554 HA RCY 73 HA RCY 73 79.740 0.189 8.279 555 HN1 RCY 73 HN1 RCY 73 79.146 2.134 10.363 556 H ASN 74 HN ASN 74 77.609 -0.681 9.971 557 HA ASN 74 HA ASN 74 78.527 -3.332 10.613 558 HB2 ASN 74 HB2 ASN 74 78.137 -3.215 13.078 559 HB3 ASN 74 HB1 ASN 74 79.513 -2.242 12.560 560 HD21 ASN 74 HD21 ASN 74 76.890 -2.094 14.577 561 HD22 ASN 74 HD22 ASN 74 76.610 -0.420 14.563 562 H HIS 75 HN HIS 75 76.478 -3.613 12.787 563 HA HIS 75 HA HIS 75 74.176 -4.018 12.975 564 HD1 HIS 75 HD1 HIS 75 72.449 -0.425 13.334 565 HD2 HIS 75 HD2 HIS 75 71.420 -4.276 12.107 566 HE1 HIS 75 HE1 HIS 75 70.204 -0.935 14.390 567 HE2 HIS 75 HE2 HIS 75 69.566 -3.277 13.650 568 HB2 HIS 75 HB2 HIS 75 74.286 -1.494 12.015 569 HB3 HIS 75 HB1 HIS 75 73.502 -2.277 10.644 570 H1U RCY 76 H1U RCY 76 75.258 -2.002 2.162 571 H1S RCY 76 H1S RCY 76 73.296 -4.602 5.754 572 HB1 RCY 76 HB1 RCY 76 72.515 -5.642 8.682 573 HB2 RCY 76 HB2 RCY 76 73.299 -5.864 7.118 574 HA RCY 76 HA RCY 76 74.607 -6.654 9.191 575 HN1 RCY 76 HN1 RCY 76 75.610 -4.002 9.755 576 H GLU 77 HN GLU 77 76.838 -4.334 8.898 577 HA GLU 77 HA GLU 77 77.650 -4.272 6.192 578 HB2 GLU 77 HB2 GLU 77 78.722 -2.853 7.860 579 HB3 GLU 77 HB1 GLU 77 79.350 -4.270 8.703 580 HG2 GLU 77 HG2 GLU 77 80.799 -4.827 6.884 581 HG3 GLU 77 HG1 GLU 77 80.005 -3.674 5.811 582 H LEU 78 HN LEU 78 78.439 -6.651 8.729 583 HA LEU 78 HA LEU 78 80.314 -8.239 7.466 584 HG LEU 78 HG LEU 78 80.093 -10.683 7.818 585 HB2 LEU 78 HB2 LEU 78 79.089 -8.599 9.727 586 HB3 LEU 78 HB1 LEU 78 77.914 -9.511 8.780 587 HD11 LEU 78 HD11 LEU 78 81.910 -10.801 9.371 588 HD12 LEU 78 HD12 LEU 78 80.986 -9.963 10.618 589 HD13 LEU 78 HD13 LEU 78 81.538 -9.086 9.191 590 HD21 LEU 78 HD21 LEU 78 78.888 -11.230 10.549 591 HD22 LEU 78 HD22 LEU 78 79.877 -12.379 9.648 592 HD23 LEU 78 HD23 LEU 78 78.317 -11.863 9.005 593 H HIS 79 HN HIS 79 80.352 -9.644 5.733 594 HA HIS 79 HA HIS 79 78.188 -9.493 3.810 595 HD1 HIS 79 HD1 HIS 79 80.367 -13.222 4.333 596 HD2 HIS 79 HD2 HIS 79 82.570 -9.688 4.580 597 HE1 HIS 79 HE1 HIS 79 82.452 -13.771 5.662 598 HE2 HIS 79 HE2 HIS 79 83.802 -11.628 5.819 599 HB2 HIS 79 HB2 HIS 79 79.599 -11.328 2.654 600 HB3 HIS 79 HB1 HIS 79 80.340 -9.741 2.859 601 H GLU 80 HN GLU 80 76.619 -10.319 5.573 602 HA GLU 80 HA GLU 80 76.637 -13.296 5.739 603 HB2 GLU 80 HB2 GLU 80 76.355 -11.806 7.816 604 HB3 GLU 80 HB1 GLU 80 74.750 -11.432 7.187 605 HG2 GLU 80 HG2 GLU 80 74.421 -13.281 8.646 606 HG3 GLU 80 HG1 GLU 80 74.398 -13.970 7.023 607 H LEU 81 HN LEU 81 74.236 -10.672 5.221 608 HA LEU 81 HA LEU 81 72.384 -12.509 3.931 609 HG LEU 81 HG LEU 81 70.429 -9.957 5.590 610 HB2 LEU 81 HB2 LEU 81 72.482 -9.531 4.370 611 HB3 LEU 81 HB1 LEU 81 71.308 -10.208 3.244 612 HD11 LEU 81 HD11 LEU 81 69.921 -11.889 3.786 613 HD12 LEU 81 HD12 LEU 81 69.139 -11.846 5.366 614 HD13 LEU 81 HD13 LEU 81 70.532 -12.893 5.100 615 HD21 LEU 81 HD21 LEU 81 72.672 -10.567 6.630 616 HD22 LEU 81 HD22 LEU 81 72.315 -12.244 6.216 617 HD23 LEU 81 HD23 LEU 81 71.273 -11.371 7.340 618 H ALA 82 HN ALA 82 75.214 -11.962 2.831 619 HA ALA 82 HA ALA 82 74.885 -10.634 0.298 620 HB1 ALA 82 HB1 ALA 82 77.041 -11.711 -0.284 621 HB2 ALA 82 HB2 ALA 82 76.922 -12.710 1.165 622 HB3 ALA 82 HB3 ALA 82 77.101 -10.962 1.312 623 H GLN 83 HN GLN 83 72.765 -11.786 -0.214 624 HA GLN 83 HA GLN 83 72.798 -14.587 -0.924 625 HB2 GLN 83 HB2 GLN 83 70.731 -13.186 -0.442 626 HB3 GLN 83 HB1 GLN 83 70.952 -12.455 -2.032 627 HG2 GLN 83 HG2 GLN 83 69.472 -14.216 -2.492 628 HG3 GLN 83 HG1 GLN 83 71.039 -14.927 -2.881 629 HE21 GLN 83 HE21 GLN 83 68.829 -16.578 -2.123 630 HE22 GLN 83 HE22 GLN 83 69.170 -17.273 -0.612 631 H TYR 84 HN TYR 84 72.281 -11.864 -3.177 632 HA TYR 84 HA TYR 84 73.363 -13.397 -5.395 633 HD1 TYR 84 HD1 TYR 84 70.936 -13.439 -6.138 634 HD2 TYR 84 HD2 TYR 84 71.148 -9.503 -4.432 635 HE1 TYR 84 HE1 TYR 84 68.531 -13.567 -5.544 636 HE2 TYR 84 HE2 TYR 84 68.744 -9.631 -3.837 637 HH TYR 84 HH TYR 84 66.661 -11.101 -4.916 638 HB2 TYR 84 HB2 TYR 84 73.044 -10.402 -5.441 639 HB3 TYR 84 HB1 TYR 84 72.782 -11.564 -6.743 640 H GLY 85 HN GLY 85 74.466 -10.481 -3.651 641 HA2 GLY 85 HA2 GLY 85 76.858 -10.383 -2.948 642 HA3 GLY 85 HA1 GLY 85 77.260 -11.160 -4.484 643 H ILE 86 HN ILE 86 78.456 -8.736 -3.899 644 HA ILE 86 HA ILE 86 78.723 -6.546 -4.721 645 HB ILE 86 HB ILE 86 77.288 -7.983 -6.963 646 HG12 ILE 86 HG12 ILE 86 79.528 -7.745 -8.031 647 HG13 ILE 86 HG11 ILE 86 80.117 -6.954 -6.568 648 HG21 ILE 86 HG21 ILE 86 78.321 -5.808 -8.194 649 HG22 ILE 86 HG22 ILE 86 77.889 -5.090 -6.642 650 HG23 ILE 86 HG23 ILE 86 76.654 -5.881 -7.622 651 HD11 ILE 86 HD11 ILE 86 80.510 -9.519 -6.841 652 HD12 ILE 86 HD12 ILE 86 78.806 -9.659 -6.407 653 HD13 ILE 86 HD13 ILE 86 79.943 -8.912 -5.285 654 H1U RCY 87 H1U RCY 87 76.972 -0.298 1.321 655 H1S RCY 87 H1S RCY 87 76.929 -4.313 1.034 656 HB1 RCY 87 HB1 RCY 87 74.551 -4.431 -1.235 657 HB2 RCY 87 HB2 RCY 87 75.910 -3.463 -1.800 658 HA RCY 87 HA RCY 87 74.429 -5.643 -3.187 659 HN1 RCY 87 HN1 RCY 87 77.214 -5.961 -2.921 Start of MODEL 33 1 HA MET 1 HA MET 1 63.758 12.939 19.592 2 HB2 MET 1 HB2 MET 1 61.855 14.258 21.555 3 HB3 MET 1 HB1 MET 1 62.173 12.527 21.432 4 HG2 MET 1 HG2 MET 1 64.496 12.851 22.053 5 HG3 MET 1 HG1 MET 1 64.303 14.604 22.014 6 HE1 MET 1 HE1 MET 1 62.686 11.553 24.967 7 HE2 MET 1 HE2 MET 1 63.211 11.338 23.299 8 HE3 MET 1 HE3 MET 1 61.595 11.954 23.635 9 H ASN 2 HN ASN 2 60.561 13.610 20.469 10 HA ASN 2 HA ASN 2 58.588 13.073 19.283 11 HB2 ASN 2 HB2 ASN 2 58.154 14.702 17.469 12 HB3 ASN 2 HB1 ASN 2 58.837 15.485 18.893 13 HD21 ASN 2 HD21 ASN 2 59.401 14.735 15.521 14 HD22 ASN 2 HD22 ASN 2 60.905 15.511 15.397 15 H LEU 3 HN LEU 3 59.123 10.887 18.660 16 HA LEU 3 HA LEU 3 60.560 10.350 16.192 17 HG LEU 3 HG LEU 3 61.789 8.496 17.179 18 HB2 LEU 3 HB2 LEU 3 58.898 8.679 18.078 19 HB3 LEU 3 HB1 LEU 3 59.487 8.015 16.554 20 HD11 LEU 3 HD11 LEU 3 62.154 9.332 19.592 21 HD12 LEU 3 HD12 LEU 3 60.468 9.848 19.536 22 HD13 LEU 3 HD13 LEU 3 61.636 10.525 18.400 23 HD21 LEU 3 HD21 LEU 3 60.829 6.377 17.988 24 HD22 LEU 3 HD22 LEU 3 60.255 7.184 19.447 25 HD23 LEU 3 HD23 LEU 3 61.986 7.013 19.157 26 H GLU 4 HN GLU 4 59.643 9.675 14.190 27 HA GLU 4 HA GLU 4 57.001 10.833 13.648 28 HB2 GLU 4 HB2 GLU 4 59.141 9.557 11.941 29 HB3 GLU 4 HB1 GLU 4 57.558 9.964 11.279 30 HG2 GLU 4 HG2 GLU 4 59.084 11.822 10.880 31 HG3 GLU 4 HG1 GLU 4 57.880 12.313 12.072 32 HA PRO 5 HA PRO 5 54.301 7.360 14.023 33 HB2 PRO 5 HB2 PRO 5 53.895 7.688 11.067 34 HB3 PRO 5 HB1 PRO 5 52.687 7.470 12.349 35 HG2 PRO 5 HG2 PRO 5 53.220 9.871 11.280 36 HG3 PRO 5 HG1 PRO 5 52.759 9.670 12.977 37 HD2 PRO 5 HD2 PRO 5 55.371 10.440 11.847 38 HD3 PRO 5 HD1 PRO 5 54.765 10.630 13.506 39 HA PRO 6 HA PRO 6 57.305 4.361 12.313 40 HB2 PRO 6 HB2 PRO 6 57.173 2.562 14.338 41 HB3 PRO 6 HB1 PRO 6 58.101 4.069 14.469 42 HG2 PRO 6 HG2 PRO 6 55.444 3.384 15.601 43 HG3 PRO 6 HG1 PRO 6 56.743 4.376 16.282 44 HD2 PRO 6 HD2 PRO 6 54.453 5.376 15.032 45 HD3 PRO 6 HD1 PRO 6 55.957 6.286 15.290 46 H LYS 7 HN LYS 7 56.755 2.804 10.846 47 HA LYS 7 HA LYS 7 54.990 0.634 11.301 48 HB2 LYS 7 HB2 LYS 7 53.151 1.478 9.657 49 HB3 LYS 7 HB1 LYS 7 53.088 2.024 11.331 50 HG2 LYS 7 HG2 LYS 7 53.892 4.162 10.804 51 HG3 LYS 7 HG1 LYS 7 54.613 3.622 9.288 52 HD2 LYS 7 HD2 LYS 7 51.646 3.383 9.619 53 HD3 LYS 7 HD1 LYS 7 52.331 4.976 9.290 54 HE2 LYS 7 HE2 LYS 7 53.271 4.269 7.230 55 HE3 LYS 7 HE1 LYS 7 53.070 2.563 7.631 56 HZ1 LYS 7 HZ1 LYS 7 51.187 4.413 6.495 57 HZ2 LYS 7 HZ2 LYS 7 50.553 3.537 7.806 58 HZ3 LYS 7 HZ3 LYS 7 51.194 2.717 6.463 59 H ALA 8 HN ALA 8 55.657 -0.846 9.814 60 HA ALA 8 HA ALA 8 55.931 -0.226 7.007 61 HB1 ALA 8 HB1 ALA 8 58.503 -0.688 8.548 62 HB2 ALA 8 HB2 ALA 8 57.996 0.861 7.875 63 HB3 ALA 8 HB3 ALA 8 58.356 -0.491 6.802 64 H GLU 9 HN GLU 9 58.300 -2.316 7.165 65 HA GLU 9 HA GLU 9 56.816 -4.719 8.016 66 HB2 GLU 9 HB2 GLU 9 56.117 -4.163 5.621 67 HB3 GLU 9 HB1 GLU 9 57.785 -4.499 5.155 68 HG2 GLU 9 HG2 GLU 9 57.632 -6.772 5.884 69 HG3 GLU 9 HG1 GLU 9 56.104 -6.473 6.715 70 H1U RCY 10 H1U RCY 10 58.500 -10.229 5.002 71 H1S RCY 10 H1S RCY 10 60.376 -9.400 9.245 72 HB1 RCY 10 HB1 RCY 10 60.609 -5.449 9.677 73 HB2 RCY 10 HB2 RCY 10 61.841 -6.702 9.529 74 HA RCY 10 HA RCY 10 61.120 -6.187 7.296 75 HN1 RCY 10 HN1 RCY 10 58.265 -6.708 7.678 76 H ARG 11 HN ARG 11 58.549 -8.100 6.892 77 HA ARG 11 HA ARG 11 59.091 -10.700 7.659 78 HE ARG 11 HE ARG 11 57.089 -12.049 3.383 79 HB2 ARG 11 HB2 ARG 11 58.118 -11.411 5.443 80 HB3 ARG 11 HB1 ARG 11 57.145 -10.228 6.315 81 HG2 ARG 11 HG2 ARG 11 57.294 -8.798 4.581 82 HG3 ARG 11 HG1 ARG 11 59.054 -8.819 4.699 83 HD2 ARG 11 HD2 ARG 11 58.301 -9.559 2.463 84 HD3 ARG 11 HD1 ARG 11 59.131 -10.859 3.320 85 HH11 ARG 11 HH21 ARG 11 56.649 -8.721 2.598 86 HH12 ARG 11 HH22 ARG 11 54.969 -8.896 2.214 87 HH21 ARG 11 HH11 ARG 11 54.898 -12.297 2.887 88 HH22 ARG 11 HH12 ARG 11 53.978 -10.921 2.378 89 H SER 12 HN SER 12 61.247 -11.328 7.795 90 HA SER 12 HA SER 12 62.531 -12.329 5.452 91 HG SER 12 HG SER 12 62.474 -9.345 4.484 92 HB2 SER 12 HB2 SER 12 63.344 -9.585 6.371 93 HB3 SER 12 HB1 SER 12 64.559 -10.668 5.696 94 H ALA 13 HN ALA 13 63.174 -14.134 6.576 95 HA ALA 13 HA ALA 13 65.421 -13.976 8.361 96 HB1 ALA 13 HB1 ALA 13 63.824 -13.212 10.012 97 HB2 ALA 13 HB2 ALA 13 64.236 -14.884 10.394 98 HB3 ALA 13 HB3 ALA 13 62.707 -14.512 9.598 99 H THR 14 HN THR 14 63.895 -15.498 6.078 100 HA THR 14 HA THR 14 63.988 -18.257 7.126 101 HB THR 14 HB THR 14 63.236 -18.876 4.845 102 HG1 THR 14 HG1 THR 14 62.750 -16.339 4.033 103 HG21 THR 14 HG21 THR 14 61.045 -17.944 5.023 104 HG22 THR 14 HG22 THR 14 61.650 -16.499 5.834 105 HG23 THR 14 HG23 THR 14 61.657 -18.051 6.673 106 H ARG 15 HN ARG 15 65.176 -17.261 3.947 107 HA ARG 15 HA ARG 15 67.962 -17.879 4.707 108 HE ARG 15 HE ARG 15 71.195 -20.499 4.998 109 HB2 ARG 15 HB2 ARG 15 66.663 -20.043 4.037 110 HB3 ARG 15 HB1 ARG 15 66.757 -19.401 2.399 111 HG2 ARG 15 HG2 ARG 15 68.728 -20.618 2.459 112 HG3 ARG 15 HG1 ARG 15 69.315 -19.063 3.047 113 HD2 ARG 15 HD2 ARG 15 68.969 -19.841 5.383 114 HD3 ARG 15 HD1 ARG 15 68.462 -21.412 4.765 115 HH11 ARG 15 HH21 ARG 15 68.972 -22.328 3.102 116 HH12 ARG 15 HH22 ARG 15 70.185 -23.383 2.457 117 HH21 ARG 15 HH11 ARG 15 72.792 -21.866 4.168 118 HH22 ARG 15 HH12 ARG 15 72.347 -23.122 3.060 119 H VAL 16 HN VAL 16 68.348 -18.384 1.686 120 HA VAL 16 HA VAL 16 67.674 -15.756 0.538 121 HB VAL 16 HB VAL 16 70.534 -16.615 1.068 122 HG11 VAL 16 HG11 VAL 16 70.539 -15.742 -1.147 123 HG12 VAL 16 HG12 VAL 16 71.019 -14.390 -0.120 124 HG13 VAL 16 HG13 VAL 16 69.369 -14.488 -0.736 125 HG21 VAL 16 HG21 VAL 16 70.555 -14.264 2.090 126 HG22 VAL 16 HG22 VAL 16 69.638 -15.484 2.973 127 HG23 VAL 16 HG23 VAL 16 68.796 -14.306 1.967 128 H MET 17 HN MET 17 67.273 -16.047 -1.604 129 HA MET 17 HA MET 17 68.825 -17.958 -3.189 130 HB2 MET 17 HB2 MET 17 67.022 -19.323 -1.995 131 HB3 MET 17 HB1 MET 17 65.847 -18.437 -2.969 132 HG2 MET 17 HG2 MET 17 66.310 -20.427 -4.197 133 HG3 MET 17 HG1 MET 17 67.219 -19.153 -5.009 134 HE1 MET 17 HE1 MET 17 67.297 -22.576 -4.174 135 HE2 MET 17 HE2 MET 17 68.982 -22.893 -4.579 136 HE3 MET 17 HE3 MET 17 67.975 -21.965 -5.688 137 H GLY 18 HN GLY 18 66.200 -15.631 -2.917 138 HA2 GLY 18 HA2 GLY 18 65.778 -13.844 -4.437 139 HA3 GLY 18 HA1 GLY 18 66.883 -14.597 -5.588 140 H GLY 19 HN GLY 19 65.996 -16.890 -6.322 141 HA2 GLY 19 HA2 GLY 19 64.309 -18.092 -7.430 142 HA3 GLY 19 HA1 GLY 19 63.141 -17.266 -6.397 143 HA PRO 20 HA PRO 20 62.372 -15.933 -10.814 144 HB2 PRO 20 HB2 PRO 20 59.774 -15.389 -9.428 145 HB3 PRO 20 HB1 PRO 20 60.073 -16.117 -11.019 146 HG2 PRO 20 HG2 PRO 20 59.372 -17.599 -8.925 147 HG3 PRO 20 HG1 PRO 20 60.529 -18.189 -10.130 148 HD2 PRO 20 HD2 PRO 20 61.035 -17.239 -7.344 149 HD3 PRO 20 HD1 PRO 20 61.914 -18.451 -8.302 150 H1U RCY 21 H1U RCY 21 62.273 -8.165 -1.181 151 H1S RCY 21 H1S RCY 21 61.405 -9.501 -5.629 152 HB1 RCY 21 HB1 RCY 21 64.213 -12.532 -6.812 153 HB2 RCY 21 HB2 RCY 21 62.587 -12.580 -6.131 154 HA RCY 21 HA RCY 21 61.675 -11.817 -8.314 155 HN1 RCY 21 HN1 RCY 21 62.801 -14.404 -7.877 156 H THR 22 HN THR 22 62.080 -10.719 -10.188 157 HA THR 22 HA THR 22 64.670 -10.933 -11.536 158 HB THR 22 HB THR 22 63.526 -9.072 -12.993 159 HG1 THR 22 HG1 THR 22 61.657 -8.496 -12.283 160 HG21 THR 22 HG21 THR 22 63.794 -11.341 -13.787 161 HG22 THR 22 HG22 THR 22 62.132 -10.845 -14.108 162 HG23 THR 22 HG23 THR 22 62.487 -11.907 -12.746 163 HA PRO 23 HA PRO 23 66.962 -7.585 -9.786 164 HB2 PRO 23 HB2 PRO 23 66.939 -6.368 -12.527 165 HB3 PRO 23 HB1 PRO 23 68.305 -6.641 -11.428 166 HG2 PRO 23 HG2 PRO 23 67.845 -8.229 -13.527 167 HG3 PRO 23 HG1 PRO 23 68.502 -8.851 -12.005 168 HD2 PRO 23 HD2 PRO 23 65.800 -9.233 -13.168 169 HD3 PRO 23 HD1 PRO 23 66.675 -10.239 -11.995 170 H ARG 24 HN ARG 24 66.978 -4.986 -9.944 171 HA ARG 24 HA ARG 24 64.618 -3.972 -8.898 172 HE ARG 24 HE ARG 24 67.348 -0.687 -7.928 173 HB2 ARG 24 HB2 ARG 24 66.889 -2.801 -9.133 174 HB3 ARG 24 HB1 ARG 24 66.361 -2.337 -10.750 175 HG2 ARG 24 HG2 ARG 24 65.604 -0.505 -9.551 176 HG3 ARG 24 HG1 ARG 24 64.185 -1.547 -9.435 177 HD2 ARG 24 HD2 ARG 24 64.552 -0.878 -7.205 178 HD3 ARG 24 HD1 ARG 24 65.304 -2.471 -7.283 179 HH11 ARG 24 HH21 ARG 24 65.105 -1.181 -5.357 180 HH12 ARG 24 HH22 ARG 24 66.161 -0.550 -4.137 181 HH21 ARG 24 HH11 ARG 24 68.740 0.140 -6.350 182 HH22 ARG 24 HH12 ARG 24 68.219 0.198 -4.699 183 H LYS 25 HN LYS 25 62.600 -3.791 -9.730 184 HA LYS 25 HA LYS 25 62.005 -4.312 -12.489 185 HB2 LYS 25 HB2 LYS 25 59.714 -3.703 -11.914 186 HB3 LYS 25 HB1 LYS 25 60.400 -4.662 -10.601 187 HG2 LYS 25 HG2 LYS 25 61.049 -2.435 -9.513 188 HG3 LYS 25 HG1 LYS 25 59.991 -1.668 -10.698 189 HD2 LYS 25 HD2 LYS 25 58.102 -3.035 -9.918 190 HD3 LYS 25 HD1 LYS 25 59.153 -3.837 -8.751 191 HE2 LYS 25 HE2 LYS 25 57.957 -2.092 -7.581 192 HE3 LYS 25 HE1 LYS 25 59.634 -1.574 -7.749 193 HZ1 LYS 25 HZ1 LYS 25 57.237 -0.591 -9.120 194 HZ2 LYS 25 HZ2 LYS 25 58.720 -0.540 -9.947 195 HZ3 LYS 25 HZ3 LYS 25 58.541 0.277 -8.468 196 H GLY 26 HN GLY 26 62.956 -1.447 -10.810 197 HA2 GLY 26 HA2 GLY 26 61.805 0.414 -12.749 198 HA3 GLY 26 HA1 GLY 26 62.947 0.827 -11.469 199 HA PRO 27 HA PRO 27 65.009 -0.376 -15.793 200 HB2 PRO 27 HB2 PRO 27 64.185 2.260 -16.890 201 HB3 PRO 27 HB1 PRO 27 64.209 0.670 -17.676 202 HG2 PRO 27 HG2 PRO 27 61.931 1.876 -16.933 203 HG3 PRO 27 HG1 PRO 27 62.128 0.116 -16.928 204 HD2 PRO 27 HD2 PRO 27 62.088 2.013 -14.618 205 HD3 PRO 27 HD1 PRO 27 61.536 0.325 -14.704 206 HA PRO 28 HA PRO 28 68.618 2.031 -14.918 207 HB2 PRO 28 HB2 PRO 28 68.605 3.345 -17.601 208 HB3 PRO 28 HB1 PRO 28 69.886 2.403 -16.812 209 HG2 PRO 28 HG2 PRO 28 68.438 1.391 -18.802 210 HG3 PRO 28 HG1 PRO 28 68.970 0.389 -17.442 211 HD2 PRO 28 HD2 PRO 28 66.244 1.486 -18.019 212 HD3 PRO 28 HD1 PRO 28 66.704 -0.048 -17.244 213 H LYS 29 HN LYS 29 69.450 4.275 -14.566 214 HA LYS 29 HA LYS 29 67.433 6.428 -14.940 215 HB2 LYS 29 HB2 LYS 29 68.720 5.804 -12.265 216 HB3 LYS 29 HB1 LYS 29 67.559 7.089 -12.597 217 HG2 LYS 29 HG2 LYS 29 65.891 5.358 -13.268 218 HG3 LYS 29 HG1 LYS 29 67.046 4.108 -12.805 219 HD2 LYS 29 HD2 LYS 29 67.094 5.031 -10.501 220 HD3 LYS 29 HD1 LYS 29 65.888 6.229 -10.972 221 HE2 LYS 29 HE2 LYS 29 64.233 4.553 -11.361 222 HE3 LYS 29 HE1 LYS 29 65.427 3.257 -11.291 223 HZ1 LYS 29 HZ1 LYS 29 65.751 3.637 -8.983 224 HZ2 LYS 29 HZ2 LYS 29 64.076 3.525 -9.242 225 HZ3 LYS 29 HZ3 LYS 29 64.803 5.043 -9.007 226 H1U RCY 30 H1U RCY 30 74.392 10.622 -7.524 227 H1S RCY 30 H1S RCY 30 72.279 8.609 -11.419 228 HB1 RCY 30 HB1 RCY 30 71.187 8.297 -12.957 229 HB2 RCY 30 HB2 RCY 30 71.357 9.234 -14.440 230 HA RCY 30 HA RCY 30 72.008 7.397 -15.686 231 HN1 RCY 30 HN1 RCY 30 70.717 5.416 -14.197 232 H LYS 31 HN LYS 31 74.091 6.700 -15.856 233 HA LYS 31 HA LYS 31 75.237 5.128 -13.577 234 HB2 LYS 31 HB2 LYS 31 76.518 3.936 -15.525 235 HB3 LYS 31 HB1 LYS 31 74.855 3.462 -15.183 236 HG2 LYS 31 HG2 LYS 31 75.203 5.726 -17.077 237 HG3 LYS 31 HG1 LYS 31 75.702 4.139 -17.662 238 HD2 LYS 31 HD2 LYS 31 73.510 3.210 -17.141 239 HD3 LYS 31 HD1 LYS 31 73.000 4.739 -16.424 240 HE2 LYS 31 HE2 LYS 31 72.258 4.289 -18.848 241 HE3 LYS 31 HE1 LYS 31 73.007 5.851 -18.520 242 HZ1 LYS 31 HZ1 LYS 31 74.501 3.484 -19.500 243 HZ2 LYS 31 HZ2 LYS 31 75.068 5.080 -19.372 244 HZ3 LYS 31 HZ3 LYS 31 73.877 4.688 -20.519 245 H GLN 32 HN GLN 32 75.560 7.770 -15.675 246 HA GLN 32 HA GLN 32 78.507 7.931 -15.167 247 HB2 GLN 32 HB2 GLN 32 76.733 9.125 -17.301 248 HB3 GLN 32 HB1 GLN 32 78.348 9.756 -16.980 249 HG2 GLN 32 HG2 GLN 32 77.847 6.820 -17.495 250 HG3 GLN 32 HG1 GLN 32 78.174 7.960 -18.801 251 HE21 GLN 32 HE21 GLN 32 79.596 6.397 -15.948 252 HE22 GLN 32 HE22 GLN 32 81.199 6.832 -16.295 253 H ARG 33 HN ARG 33 78.312 8.793 -13.041 254 HA ARG 33 HA ARG 33 76.860 11.374 -12.755 255 HE ARG 33 HE ARG 33 76.241 8.927 -9.298 256 HB2 ARG 33 HB2 ARG 33 76.819 9.337 -11.068 257 HB3 ARG 33 HB1 ARG 33 78.337 10.035 -10.505 258 HG2 ARG 33 HG2 ARG 33 77.079 12.271 -10.380 259 HG3 ARG 33 HG1 ARG 33 75.603 11.322 -10.557 260 HD2 ARG 33 HD2 ARG 33 77.598 11.302 -8.305 261 HD3 ARG 33 HD1 ARG 33 75.842 11.447 -8.228 262 HH11 ARG 33 HH21 ARG 33 77.358 10.671 -6.542 263 HH12 ARG 33 HH22 ARG 33 77.523 9.260 -5.550 264 HH21 ARG 33 HH11 ARG 33 76.450 7.075 -8.019 265 HH22 ARG 33 HH12 ARG 33 77.009 7.224 -6.387 266 H GLN 34 HN GLN 34 78.825 11.959 -10.473 267 HA GLN 34 HA GLN 34 81.413 12.386 -11.663 268 HB2 GLN 34 HB2 GLN 34 79.908 14.035 -12.929 269 HB3 GLN 34 HB1 GLN 34 79.755 14.902 -11.400 270 HG2 GLN 34 HG2 GLN 34 81.575 15.921 -12.594 271 HG3 GLN 34 HG1 GLN 34 82.290 14.958 -11.301 272 HE21 GLN 34 HE21 GLN 34 81.455 14.767 -14.798 273 HE22 GLN 34 HE22 GLN 34 82.703 13.685 -15.190 274 H THR 35 HN THR 35 81.206 11.327 -9.330 275 HA THR 35 HA THR 35 81.112 13.415 -7.218 276 HB THR 35 HB THR 35 81.566 10.453 -6.820 277 HG1 THR 35 HG1 THR 35 79.649 10.827 -8.027 278 HG21 THR 35 HG21 THR 35 80.515 10.969 -4.624 279 HG22 THR 35 HG22 THR 35 80.429 12.667 -5.090 280 HG23 THR 35 HG23 THR 35 81.998 11.886 -4.889 281 H ARG 36 HN ARG 36 82.958 14.207 -6.321 282 HA ARG 36 HA ARG 36 85.549 13.052 -7.228 283 HE ARG 36 HE ARG 36 86.991 16.189 -10.297 284 HB2 ARG 36 HB2 ARG 36 85.047 15.655 -5.759 285 HB3 ARG 36 HB1 ARG 36 86.529 15.169 -6.582 286 HG2 ARG 36 HG2 ARG 36 83.858 15.501 -7.977 287 HG3 ARG 36 HG1 ARG 36 85.101 16.752 -7.922 288 HD2 ARG 36 HD2 ARG 36 86.512 14.509 -8.731 289 HD3 ARG 36 HD1 ARG 36 84.970 14.332 -9.568 290 HH11 ARG 36 HH21 ARG 36 83.612 16.004 -9.639 291 HH12 ARG 36 HH22 ARG 36 83.197 17.299 -10.711 292 HH21 ARG 36 HH11 ARG 36 86.469 17.882 -11.700 293 HH22 ARG 36 HH12 ARG 36 84.815 18.363 -11.878 294 H GLN 37 HN GLN 37 83.810 11.913 -5.052 295 HA GLN 37 HA GLN 37 85.928 11.838 -2.957 296 HB2 GLN 37 HB2 GLN 37 82.977 12.340 -2.472 297 HB3 GLN 37 HB1 GLN 37 84.132 11.929 -1.204 298 HG2 GLN 37 HG2 GLN 37 85.461 13.923 -1.737 299 HG3 GLN 37 HG1 GLN 37 84.350 14.328 -3.045 300 HE21 GLN 37 HE21 GLN 37 82.375 13.014 -0.754 301 HE22 GLN 37 HE22 GLN 37 81.950 14.414 0.107 302 H1U RCY 38 H1U RCY 38 80.754 9.283 1.353 303 H1S RCY 38 H1S RCY 38 79.471 7.695 -2.970 304 HB1 RCY 38 HB1 RCY 38 81.721 8.196 -5.389 305 HB2 RCY 38 HB2 RCY 38 81.151 8.875 -3.864 306 HA RCY 38 HA RCY 38 83.336 7.906 -2.856 307 HN1 RCY 38 HN1 RCY 38 83.014 10.385 -4.368 308 H LYS 39 HN LYS 39 85.284 9.180 -5.073 309 HA LYS 39 HA LYS 39 85.572 6.883 -6.875 310 HB2 LYS 39 HB2 LYS 39 87.586 8.165 -7.691 311 HB3 LYS 39 HB1 LYS 39 86.073 9.064 -7.788 312 HG2 LYS 39 HG2 LYS 39 86.599 10.384 -5.895 313 HG3 LYS 39 HG1 LYS 39 87.866 9.275 -5.369 314 HD2 LYS 39 HD2 LYS 39 89.204 9.864 -7.364 315 HD3 LYS 39 HD1 LYS 39 87.944 10.990 -7.870 316 HE2 LYS 39 HE2 LYS 39 89.210 11.203 -5.142 317 HE3 LYS 39 HE1 LYS 39 89.958 11.952 -6.553 318 HZ1 LYS 39 HZ1 LYS 39 88.330 13.479 -6.723 319 HZ2 LYS 39 HZ2 LYS 39 88.133 13.162 -5.065 320 HZ3 LYS 39 HZ3 LYS 39 87.111 12.421 -6.202 321 H SER 40 HN SER 40 88.663 7.575 -6.485 322 HA SER 40 HA SER 40 90.419 6.332 -5.525 323 HG SER 40 HG SER 40 90.353 6.195 -1.926 324 HB2 SER 40 HB2 SER 40 89.960 7.876 -3.685 325 HB3 SER 40 HB1 SER 40 88.662 6.838 -3.104 326 H LYS 41 HN LYS 41 90.121 4.282 -6.502 327 HA LYS 41 HA LYS 41 88.728 2.275 -4.774 328 HB2 LYS 41 HB2 LYS 41 87.601 2.983 -7.045 329 HB3 LYS 41 HB1 LYS 41 88.841 1.958 -7.763 330 HG2 LYS 41 HG2 LYS 41 87.142 0.406 -7.417 331 HG3 LYS 41 HG1 LYS 41 88.055 0.237 -5.917 332 HD2 LYS 41 HD2 LYS 41 86.478 2.118 -5.030 333 HD3 LYS 41 HD1 LYS 41 85.444 1.660 -6.384 334 HE2 LYS 41 HE2 LYS 41 86.370 -0.083 -4.092 335 HE3 LYS 41 HE1 LYS 41 84.715 0.343 -4.524 336 HZ1 LYS 41 HZ1 LYS 41 84.838 -1.682 -5.500 337 HZ2 LYS 41 HZ2 LYS 41 86.517 -1.602 -5.746 338 HZ3 LYS 41 HZ3 LYS 41 85.463 -0.764 -6.782 339 HA PRO 42 HA PRO 42 93.162 1.061 -5.411 340 HB2 PRO 42 HB2 PRO 42 92.817 -0.053 -2.696 341 HB3 PRO 42 HB1 PRO 42 94.030 1.095 -3.289 342 HG2 PRO 42 HG2 PRO 42 92.042 1.806 -1.626 343 HG3 PRO 42 HG1 PRO 42 92.731 2.910 -2.828 344 HD2 PRO 42 HD2 PRO 42 90.132 1.414 -2.914 345 HD3 PRO 42 HD1 PRO 42 90.516 3.045 -3.512 346 HA PRO 43 HA PRO 43 92.312 -3.170 -6.382 347 HB2 PRO 43 HB2 PRO 43 94.683 -4.426 -5.786 348 HB3 PRO 43 HB1 PRO 43 94.454 -3.386 -7.205 349 HG2 PRO 43 HG2 PRO 43 95.745 -2.768 -4.598 350 HG3 PRO 43 HG1 PRO 43 96.203 -2.267 -6.235 351 HD2 PRO 43 HD2 PRO 43 94.888 -0.618 -4.482 352 HD3 PRO 43 HD1 PRO 43 94.727 -0.485 -6.248 353 H LYS 44 HN LYS 44 91.029 -4.533 -5.227 354 HA LYS 44 HA LYS 44 90.155 -5.742 -3.426 355 HB2 LYS 44 HB2 LYS 44 92.450 -6.878 -4.003 356 HB3 LYS 44 HB1 LYS 44 92.980 -6.184 -2.475 357 HG2 LYS 44 HG2 LYS 44 90.454 -7.833 -2.717 358 HG3 LYS 44 HG1 LYS 44 92.022 -8.548 -2.340 359 HD2 LYS 44 HD2 LYS 44 91.550 -8.079 -0.179 360 HD3 LYS 44 HD1 LYS 44 91.876 -6.396 -0.596 361 HE2 LYS 44 HE2 LYS 44 89.715 -6.370 0.396 362 HE3 LYS 44 HE1 LYS 44 89.420 -6.275 -1.340 363 HZ1 LYS 44 HZ1 LYS 44 88.530 -8.220 0.461 364 HZ2 LYS 44 HZ2 LYS 44 89.605 -8.972 -0.619 365 HZ3 LYS 44 HZ3 LYS 44 88.252 -8.133 -1.211 366 H LYS 45 HN LYS 45 93.071 -4.631 -1.712 367 HA LYS 45 HA LYS 45 91.783 -3.920 0.665 368 HB2 LYS 45 HB2 LYS 45 94.315 -3.973 0.098 369 HB3 LYS 45 HB1 LYS 45 94.093 -2.296 -0.401 370 HG2 LYS 45 HG2 LYS 45 93.041 -1.869 1.867 371 HG3 LYS 45 HG1 LYS 45 93.577 -3.483 2.336 372 HD2 LYS 45 HD2 LYS 45 95.403 -1.289 1.311 373 HD3 LYS 45 HD1 LYS 45 95.198 -1.713 3.011 374 HE2 LYS 45 HE2 LYS 45 95.811 -4.122 2.261 375 HE3 LYS 45 HE1 LYS 45 96.432 -3.350 0.802 376 HZ1 LYS 45 HZ1 LYS 45 97.204 -2.360 3.470 377 HZ2 LYS 45 HZ2 LYS 45 98.017 -2.187 1.988 378 HZ3 LYS 45 HZ3 LYS 45 98.005 -3.689 2.783 379 H GLY 46 HN GLY 46 90.985 -1.905 1.486 380 HA2 GLY 46 HA2 GLY 46 90.566 0.280 -0.480 381 HA3 GLY 46 HA1 GLY 46 89.136 -0.439 0.261 382 H VAL 47 HN VAL 47 91.210 2.104 0.543 383 HA VAL 47 HA VAL 47 91.644 2.220 3.388 384 HB VAL 47 HB VAL 47 91.895 4.736 2.880 385 HG11 VAL 47 HG11 VAL 47 93.536 2.753 1.272 386 HG12 VAL 47 HG12 VAL 47 93.782 3.122 2.979 387 HG13 VAL 47 HG13 VAL 47 94.047 4.369 1.760 388 HG21 VAL 47 HG21 VAL 47 91.793 3.749 0.021 389 HG22 VAL 47 HG22 VAL 47 91.901 5.415 0.590 390 HG23 VAL 47 HG23 VAL 47 90.405 4.505 0.804 391 H GLN 48 HN GLN 48 90.196 5.126 2.649 392 HA GLN 48 HA GLN 48 87.448 4.320 3.363 393 HB2 GLN 48 HB2 GLN 48 89.149 6.092 5.146 394 HB3 GLN 48 HB1 GLN 48 87.409 5.863 5.324 395 HG2 GLN 48 HG2 GLN 48 87.893 3.358 5.470 396 HG3 GLN 48 HG1 GLN 48 89.593 3.796 5.645 397 HE21 GLN 48 HE21 GLN 48 88.673 2.528 7.835 398 HE22 GLN 48 HE22 GLN 48 88.315 3.601 9.099 399 H GLY 49 HN GLY 49 88.928 7.471 3.948 400 HA2 GLY 49 HA2 GLY 49 88.757 9.486 2.731 401 HA3 GLY 49 HA1 GLY 49 88.147 8.558 1.360 402 H1U RCY 50 H1U RCY 50 80.894 7.073 -2.240 403 H1S RCY 50 H1S RCY 50 80.941 9.721 1.588 404 HB1 RCY 50 HB1 RCY 50 83.791 9.349 2.134 405 HB2 RCY 50 HB2 RCY 50 84.446 10.455 0.927 406 HA RCY 50 HA RCY 50 84.977 12.012 2.917 407 HN1 RCY 50 HN1 RCY 50 87.055 11.068 2.362 408 H GLY 51 HN GLY 51 86.452 10.075 4.857 409 HA2 GLY 51 HA2 GLY 51 84.384 8.855 6.464 410 HA3 GLY 51 HA1 GLY 51 86.047 9.144 6.979 411 H ASP 52 HN ASP 52 84.939 12.041 5.864 412 HA ASP 52 HA ASP 52 83.473 12.852 8.287 413 HB2 ASP 52 HB2 ASP 52 85.908 12.964 8.907 414 HB3 ASP 52 HB1 ASP 52 86.136 14.135 7.608 415 H ASP 53 HN ASP 53 81.791 13.682 7.056 416 HA ASP 53 HA ASP 53 82.174 16.242 5.784 417 HB2 ASP 53 HB2 ASP 53 83.082 14.812 3.982 418 HB3 ASP 53 HB1 ASP 53 81.577 13.892 3.959 419 H ILE 54 HN ILE 54 79.834 14.788 3.971 420 HA ILE 54 HA ILE 54 77.725 15.548 5.940 421 HB ILE 54 HB ILE 54 78.025 16.680 3.574 422 HG12 ILE 54 HG12 ILE 54 76.128 16.947 5.251 423 HG13 ILE 54 HG11 ILE 54 75.676 17.191 3.564 424 HG21 ILE 54 HG21 ILE 54 76.910 15.565 1.770 425 HG22 ILE 54 HG22 ILE 54 76.306 14.299 2.839 426 HG23 ILE 54 HG23 ILE 54 78.026 14.386 2.460 427 HD11 ILE 54 HD11 ILE 54 74.839 14.883 3.437 428 HD12 ILE 54 HD12 ILE 54 74.035 15.757 4.741 429 HD13 ILE 54 HD13 ILE 54 75.319 14.607 5.112 430 HA PRO 55 HA PRO 55 76.979 11.095 5.794 431 HB2 PRO 55 HB2 PRO 55 75.312 10.939 7.923 432 HB3 PRO 55 HB1 PRO 55 77.060 11.184 8.110 433 HG2 PRO 55 HG2 PRO 55 74.852 13.170 8.287 434 HG3 PRO 55 HG1 PRO 55 76.324 13.028 9.260 435 HD2 PRO 55 HD2 PRO 55 76.011 14.815 7.161 436 HD3 PRO 55 HD1 PRO 55 77.582 14.238 7.760 437 H GLY 56 HN GLY 56 75.703 12.034 3.716 438 HA2 GLY 56 HA2 GLY 56 73.791 11.323 2.470 439 HA3 GLY 56 HA1 GLY 56 72.966 10.963 3.984 440 H MET 57 HN MET 57 73.628 13.415 1.607 441 HA MET 57 HA MET 57 72.684 15.732 2.942 442 HB2 MET 57 HB2 MET 57 72.857 14.848 0.093 443 HB3 MET 57 HB1 MET 57 71.837 16.241 0.447 444 HG2 MET 57 HG2 MET 57 74.699 15.999 1.408 445 HG3 MET 57 HG1 MET 57 74.249 16.804 -0.096 446 HE1 MET 57 HE1 MET 57 74.872 20.002 1.651 447 HE2 MET 57 HE2 MET 57 74.374 19.422 0.064 448 HE3 MET 57 HE3 MET 57 75.664 18.593 0.933 449 H GLU 58 HN GLU 58 71.028 12.898 2.556 450 HA GLU 58 HA GLU 58 68.395 14.320 2.684 451 HB2 GLU 58 HB2 GLU 58 68.773 13.102 0.501 452 HB3 GLU 58 HB1 GLU 58 68.856 11.603 1.426 453 HG2 GLU 58 HG2 GLU 58 66.591 12.060 2.335 454 HG3 GLU 58 HG1 GLU 58 66.505 13.517 1.344 455 H GLY 59 HN GLY 59 70.328 11.510 3.653 456 HA2 GLY 59 HA2 GLY 59 70.286 10.541 5.847 457 HA3 GLY 59 HA1 GLY 59 68.765 11.380 6.162 458 H1U RCY 60 H1U RCY 60 68.206 7.107 -2.050 459 H1S RCY 60 H1S RCY 60 70.051 8.803 2.122 460 HB1 RCY 60 HB1 RCY 60 68.017 6.110 3.128 461 HB2 RCY 60 HB2 RCY 60 67.952 6.649 4.807 462 HA RCY 60 HA RCY 60 67.383 8.182 2.295 463 HN1 RCY 60 HN1 RCY 60 68.512 10.058 3.138 464 H GLY 61 HN GLY 61 65.952 6.209 3.914 465 HA2 GLY 61 HA2 GLY 61 63.626 7.902 4.615 466 HA3 GLY 61 HA1 GLY 61 63.598 6.151 4.397 467 H THR 62 HN THR 62 64.318 4.807 6.142 468 HA THR 62 HA THR 62 64.967 6.146 8.708 469 HB THR 62 HB THR 62 63.146 5.269 9.907 470 HG1 THR 62 HG1 THR 62 62.212 3.724 7.779 471 HG21 THR 62 HG21 THR 62 62.009 5.821 7.152 472 HG22 THR 62 HG22 THR 62 62.460 7.063 8.320 473 HG23 THR 62 HG23 THR 62 61.145 5.945 8.684 474 H ASP 63 HN ASP 63 63.993 2.878 7.587 475 HA ASP 63 HA ASP 63 65.882 1.521 9.252 476 HB2 ASP 63 HB2 ASP 63 65.472 -0.419 7.703 477 HB3 ASP 63 HB1 ASP 63 63.992 0.311 8.326 478 H ILE 64 HN ILE 64 66.523 3.616 6.826 479 HA ILE 64 HA ILE 64 69.134 2.294 6.214 480 HB ILE 64 HB ILE 64 67.562 3.967 4.231 481 HG12 ILE 64 HG12 ILE 64 67.834 0.949 4.254 482 HG13 ILE 64 HG11 ILE 64 66.417 1.790 4.883 483 HG21 ILE 64 HG21 ILE 64 69.807 3.985 3.571 484 HG22 ILE 64 HG22 ILE 64 69.184 2.582 2.703 485 HG23 ILE 64 HG23 ILE 64 70.104 2.361 4.191 486 HD11 ILE 64 HD11 ILE 64 65.981 1.154 2.577 487 HD12 ILE 64 HD12 ILE 64 67.481 1.914 2.047 488 HD13 ILE 64 HD13 ILE 64 66.157 2.907 2.656 489 H THR 65 HN THR 65 68.535 4.256 8.256 490 HA THR 65 HA THR 65 69.354 6.864 7.245 491 HB THR 65 HB THR 65 69.474 6.089 10.152 492 HG1 THR 65 HG1 THR 65 67.368 5.743 8.547 493 HG21 THR 65 HG21 THR 65 68.981 8.353 10.521 494 HG22 THR 65 HG22 THR 65 68.261 8.554 8.923 495 HG23 THR 65 HG23 THR 65 70.011 8.409 9.090 496 H VAL 66 HN VAL 66 71.339 6.029 6.189 497 HA VAL 66 HA VAL 66 73.683 5.946 6.151 498 HB VAL 66 HB VAL 66 73.841 6.344 9.120 499 HG11 VAL 66 HG11 VAL 66 75.768 7.629 8.549 500 HG12 VAL 66 HG12 VAL 66 75.261 7.777 6.866 501 HG13 VAL 66 HG13 VAL 66 75.813 6.221 7.487 502 HG21 VAL 66 HG21 VAL 66 72.279 8.009 8.940 503 HG22 VAL 66 HG22 VAL 66 72.462 8.127 7.190 504 HG23 VAL 66 HG23 VAL 66 73.629 8.912 8.253 505 H ILE 67 HN ILE 67 71.756 4.064 8.290 506 HA ILE 67 HA ILE 67 73.795 1.885 8.166 507 HB ILE 67 HB ILE 67 72.103 2.551 10.595 508 HG12 ILE 67 HG12 ILE 67 75.100 2.817 10.199 509 HG13 ILE 67 HG11 ILE 67 73.971 4.171 10.139 510 HG21 ILE 67 HG21 ILE 67 74.276 0.489 10.108 511 HG22 ILE 67 HG22 ILE 67 72.561 0.155 10.351 512 HG23 ILE 67 HG23 ILE 67 73.526 0.816 11.671 513 HD11 ILE 67 HD11 ILE 67 74.933 4.027 12.378 514 HD12 ILE 67 HD12 ILE 67 74.451 2.336 12.505 515 HD13 ILE 67 HD13 ILE 67 73.223 3.601 12.451 516 H1U RCY 68 H1U RCY 68 71.208 -2.389 -1.501 517 H1S RCY 68 H1S RCY 68 71.120 -0.788 2.867 518 HB1 RCY 68 HB1 RCY 68 71.653 0.071 4.906 519 HB2 RCY 68 HB2 RCY 68 69.899 0.196 4.993 520 HA RCY 68 HA RCY 68 69.895 -0.081 7.245 521 HN1 RCY 68 HN1 RCY 68 72.824 0.398 6.885 522 HA PRO 69 HA PRO 69 70.528 -4.069 8.975 523 HB2 PRO 69 HB2 PRO 69 68.889 -5.612 7.266 524 HB3 PRO 69 HB1 PRO 69 68.378 -4.792 8.752 525 HG2 PRO 69 HG2 PRO 69 68.075 -3.950 5.933 526 HG3 PRO 69 HG1 PRO 69 67.022 -3.654 7.326 527 HD2 PRO 69 HD2 PRO 69 68.607 -1.709 6.298 528 HD3 PRO 69 HD1 PRO 69 68.257 -1.809 8.040 529 H TRP 70 HN TRP 70 70.625 -4.028 5.410 530 HA TRP 70 HA TRP 70 72.281 -6.417 5.264 531 HD1 TRP 70 HD1 TRP 70 69.966 -6.667 5.244 532 HE1 TRP 70 HE1 TRP 70 67.518 -6.658 4.439 533 HE3 TRP 70 HE3 TRP 70 70.482 -4.048 0.891 534 HZ2 TRP 70 HZ2 TRP 70 65.979 -5.668 2.235 535 HZ3 TRP 70 HZ3 TRP 70 68.515 -3.587 -0.538 536 HH2 TRP 70 HH2 TRP 70 66.266 -4.391 0.124 537 HB2 TRP 70 HB2 TRP 70 72.008 -4.340 3.090 538 HB3 TRP 70 HB1 TRP 70 72.290 -6.071 2.919 539 H GLU 71 HN GLU 71 73.051 -3.590 6.590 540 HA GLU 71 HA GLU 71 75.906 -3.935 6.020 541 HB2 GLU 71 HB2 GLU 71 76.136 -1.462 5.410 542 HB3 GLU 71 HB1 GLU 71 75.446 -2.503 4.165 543 HG2 GLU 71 HG2 GLU 71 73.246 -1.734 4.578 544 HG3 GLU 71 HG1 GLU 71 73.691 -1.041 6.138 545 H ALA 72 HN ALA 72 75.215 -4.416 8.422 546 HA ALA 72 HA ALA 72 74.735 -2.094 10.108 547 HB1 ALA 72 HB1 ALA 72 75.898 -4.644 11.182 548 HB2 ALA 72 HB2 ALA 72 74.256 -4.663 10.542 549 HB3 ALA 72 HB3 ALA 72 74.666 -3.596 11.884 550 H1U RCY 73 H1U RCY 73 80.767 -1.569 6.244 551 H1S RCY 73 H1S RCY 73 81.235 0.766 9.631 552 HB1 RCY 73 HB1 RCY 73 78.286 0.442 12.902 553 HB2 RCY 73 HB2 RCY 73 77.475 0.938 11.418 554 HA RCY 73 HA RCY 73 78.992 -1.016 10.390 555 HN1 RCY 73 HN1 RCY 73 76.264 -1.037 11.449 556 H ASN 74 HN ASN 74 78.653 -3.545 11.334 557 HA ASN 74 HA ASN 74 80.622 -3.646 13.496 558 HB2 ASN 74 HB2 ASN 74 77.753 -4.484 13.945 559 HB3 ASN 74 HB1 ASN 74 79.080 -5.134 14.908 560 HD21 ASN 74 HD21 ASN 74 80.696 -3.066 15.509 561 HD22 ASN 74 HD22 ASN 74 79.859 -1.788 16.250 562 H HIS 75 HN HIS 75 80.269 -4.653 10.695 563 HA HIS 75 HA HIS 75 81.350 -7.292 11.133 564 HD1 HIS 75 HD1 HIS 75 79.387 -6.640 7.914 565 HD2 HIS 75 HD2 HIS 75 76.435 -6.866 10.852 566 HE1 HIS 75 HE1 HIS 75 77.307 -5.589 6.920 567 HE2 HIS 75 HE2 HIS 75 75.503 -5.720 8.699 568 HB2 HIS 75 HB2 HIS 75 79.566 -8.620 10.113 569 HB3 HIS 75 HB1 HIS 75 78.946 -7.783 11.536 570 H1U RCY 76 H1U RCY 76 80.958 -3.479 1.412 571 H1S RCY 76 H1S RCY 76 80.300 -1.062 5.314 572 HB1 RCY 76 HB1 RCY 76 79.289 -4.441 6.781 573 HB2 RCY 76 HB2 RCY 76 80.413 -4.228 5.445 574 HA RCY 76 HA RCY 76 81.325 -6.043 6.641 575 HN1 RCY 76 HN1 RCY 76 80.323 -4.713 9.084 576 H GLU 77 HN GLU 77 82.292 -3.562 8.953 577 HA GLU 77 HA GLU 77 84.562 -2.631 7.406 578 HB2 GLU 77 HB2 GLU 77 85.255 -1.544 9.512 579 HB3 GLU 77 HB1 GLU 77 83.545 -1.254 9.189 580 HG2 GLU 77 HG2 GLU 77 83.070 -3.301 10.650 581 HG3 GLU 77 HG1 GLU 77 84.758 -3.206 11.154 582 H LEU 78 HN LEU 78 84.036 -5.615 8.450 583 HA LEU 78 HA LEU 78 86.929 -6.141 8.835 584 HG LEU 78 HG LEU 78 87.020 -7.642 12.067 585 HB2 LEU 78 HB2 LEU 78 85.295 -6.031 11.032 586 HB3 LEU 78 HB1 LEU 78 85.146 -7.730 10.604 587 HD11 LEU 78 HD11 LEU 78 88.673 -8.583 10.737 588 HD12 LEU 78 HD12 LEU 78 88.486 -7.372 9.468 589 HD13 LEU 78 HD13 LEU 78 87.298 -8.665 9.635 590 HD21 LEU 78 HD21 LEU 78 88.940 -5.974 11.345 591 HD22 LEU 78 HD22 LEU 78 87.583 -5.393 12.310 592 HD23 LEU 78 HD23 LEU 78 87.613 -5.108 10.570 593 H HIS 79 HN HIS 79 86.957 -7.139 6.786 594 HA HIS 79 HA HIS 79 86.377 -9.890 6.625 595 HD1 HIS 79 HD1 HIS 79 82.317 -9.005 7.485 596 HD2 HIS 79 HD2 HIS 79 85.054 -11.979 6.451 597 HE1 HIS 79 HE1 HIS 79 81.628 -11.085 8.756 598 HE2 HIS 79 HE2 HIS 79 83.286 -12.902 8.136 599 HB2 HIS 79 HB2 HIS 79 84.088 -8.126 5.971 600 HB3 HIS 79 HB1 HIS 79 84.440 -9.352 4.755 601 H GLU 80 HN GLU 80 86.806 -10.742 4.438 602 HA GLU 80 HA GLU 80 88.704 -9.038 3.008 603 HB2 GLU 80 HB2 GLU 80 87.725 -11.873 2.592 604 HB3 GLU 80 HB1 GLU 80 88.875 -11.093 1.505 605 HG2 GLU 80 HG2 GLU 80 89.317 -11.256 4.493 606 HG3 GLU 80 HG1 GLU 80 89.900 -12.492 3.378 607 H LEU 81 HN LEU 81 87.204 -10.965 0.732 608 HA LEU 81 HA LEU 81 85.909 -8.592 -0.471 609 HG LEU 81 HG LEU 81 84.906 -11.880 -1.654 610 HB2 LEU 81 HB2 LEU 81 85.908 -9.793 -2.519 611 HB3 LEU 81 HB1 LEU 81 87.438 -10.209 -1.754 612 HD11 LEU 81 HD11 LEU 81 87.513 -12.165 -3.170 613 HD12 LEU 81 HD12 LEU 81 85.888 -12.042 -3.844 614 HD13 LEU 81 HD13 LEU 81 86.368 -13.491 -2.961 615 HD21 LEU 81 HD21 LEU 81 87.646 -12.167 -0.415 616 HD22 LEU 81 HD22 LEU 81 86.614 -13.569 -0.700 617 HD23 LEU 81 HD23 LEU 81 86.072 -12.278 0.373 618 H ALA 82 HN ALA 82 85.016 -11.079 1.563 619 HA ALA 82 HA ALA 82 82.479 -11.871 0.517 620 HB1 ALA 82 HB1 ALA 82 81.970 -12.590 2.790 621 HB2 ALA 82 HB2 ALA 82 83.275 -11.591 3.430 622 HB3 ALA 82 HB3 ALA 82 83.648 -12.990 2.423 623 H GLN 83 HN GLN 83 81.555 -10.754 3.437 624 HA GLN 83 HA GLN 83 79.685 -9.281 3.753 625 HB2 GLN 83 HB2 GLN 83 80.681 -6.943 4.032 626 HB3 GLN 83 HB1 GLN 83 81.427 -8.229 4.975 627 HG2 GLN 83 HG2 GLN 83 83.243 -7.014 4.005 628 HG3 GLN 83 HG1 GLN 83 83.092 -8.486 3.045 629 HE21 GLN 83 HE21 GLN 83 83.469 -7.916 0.895 630 HE22 GLN 83 HE22 GLN 83 82.794 -6.567 0.117 631 H TYR 84 HN TYR 84 79.474 -10.002 1.089 632 HA TYR 84 HA TYR 84 78.447 -7.475 -0.050 633 HD1 TYR 84 HD2 TYR 84 79.290 -10.718 -0.283 634 HD2 TYR 84 HD1 TYR 84 81.964 -8.859 -3.083 635 HE1 TYR 84 HE2 TYR 84 80.313 -12.924 -0.770 636 HE2 TYR 84 HE1 TYR 84 82.987 -11.065 -3.571 637 HH TYR 84 HH TYR 84 82.541 -13.375 -3.398 638 HB2 TYR 84 HB2 TYR 84 79.490 -7.898 -2.248 639 HB3 TYR 84 HB1 TYR 84 80.694 -7.617 -1.000 640 H GLY 85 HN GLY 85 78.668 -9.684 -2.506 641 HA2 GLY 85 HA2 GLY 85 76.901 -11.748 -2.125 642 HA3 GLY 85 HA1 GLY 85 75.827 -10.356 -2.279 643 H ILE 86 HN ILE 86 78.694 -11.718 -3.930 644 HA ILE 86 HA ILE 86 79.287 -11.555 -6.212 645 HB ILE 86 HB ILE 86 77.672 -12.745 -7.650 646 HG12 ILE 86 HG12 ILE 86 75.814 -12.718 -5.259 647 HG13 ILE 86 HG11 ILE 86 75.666 -11.572 -6.592 648 HG21 ILE 86 HG21 ILE 86 77.884 -13.882 -4.844 649 HG22 ILE 86 HG22 ILE 86 79.093 -14.048 -6.118 650 HG23 ILE 86 HG23 ILE 86 77.513 -14.812 -6.296 651 HD11 ILE 86 HD11 ILE 86 75.595 -14.592 -6.867 652 HD12 ILE 86 HD12 ILE 86 75.412 -13.431 -8.182 653 HD13 ILE 86 HD13 ILE 86 74.187 -13.532 -6.918 654 H1U RCY 87 H1U RCY 87 77.576 -1.476 -3.861 655 H1S RCY 87 H1S RCY 87 76.349 -5.314 -4.274 656 HB1 RCY 87 HB1 RCY 87 77.265 -5.752 -6.023 657 HB2 RCY 87 HB2 RCY 87 78.937 -6.315 -6.011 658 HA RCY 87 HA RCY 87 76.452 -7.788 -6.852 659 HN1 RCY 87 HN1 RCY 87 78.496 -9.028 -5.286 Start of MODEL 34 1 HA MET 1 HA MET 1 69.203 2.852 23.087 2 HB2 MET 1 HB2 MET 1 68.785 5.044 24.322 3 HB3 MET 1 HB1 MET 1 67.138 4.473 24.593 4 HG2 MET 1 HG2 MET 1 68.364 3.817 26.532 5 HG3 MET 1 HG1 MET 1 68.187 2.351 25.568 6 HE1 MET 1 HE1 MET 1 70.081 5.414 26.269 7 HE2 MET 1 HE2 MET 1 71.798 5.058 26.099 8 HE3 MET 1 HE3 MET 1 70.914 4.454 27.498 9 H ASN 2 HN ASN 2 65.723 3.636 23.457 10 HA ASN 2 HA ASN 2 64.957 0.983 24.154 11 HB2 ASN 2 HB2 ASN 2 62.649 1.737 23.488 12 HB3 ASN 2 HB1 ASN 2 63.463 2.839 24.599 13 HD21 ASN 2 HD21 ASN 2 61.721 2.777 21.721 14 HD22 ASN 2 HD22 ASN 2 62.249 4.251 21.064 15 H LEU 3 HN LEU 3 63.194 -0.147 22.609 16 HA LEU 3 HA LEU 3 63.951 -0.046 19.770 17 HG LEU 3 HG LEU 3 65.625 -3.193 19.196 18 HB2 LEU 3 HB2 LEU 3 65.565 -1.614 21.158 19 HB3 LEU 3 HB1 LEU 3 64.205 -2.730 21.105 20 HD11 LEU 3 HD11 LEU 3 63.331 -1.541 18.125 21 HD12 LEU 3 HD12 LEU 3 63.072 -3.085 18.937 22 HD13 LEU 3 HD13 LEU 3 64.016 -3.019 17.449 23 HD21 LEU 3 HD21 LEU 3 65.219 -0.489 18.011 24 HD22 LEU 3 HD22 LEU 3 66.593 -1.586 17.864 25 HD23 LEU 3 HD23 LEU 3 66.393 -0.614 19.322 26 H GLU 4 HN GLU 4 61.724 0.440 19.456 27 HA GLU 4 HA GLU 4 59.755 -1.611 20.324 28 HB2 GLU 4 HB2 GLU 4 59.396 1.123 19.059 29 HB3 GLU 4 HB1 GLU 4 58.072 0.054 19.522 30 HG2 GLU 4 HG2 GLU 4 60.199 0.949 21.478 31 HG3 GLU 4 HG1 GLU 4 58.697 1.841 21.233 32 HA PRO 5 HA PRO 5 59.685 -3.398 16.263 33 HB2 PRO 5 HB2 PRO 5 57.145 -4.418 16.215 34 HB3 PRO 5 HB1 PRO 5 58.463 -5.134 17.163 35 HG2 PRO 5 HG2 PRO 5 56.254 -3.349 18.058 36 HG3 PRO 5 HG1 PRO 5 56.954 -4.768 18.856 37 HD2 PRO 5 HD2 PRO 5 57.590 -2.206 19.574 38 HD3 PRO 5 HD1 PRO 5 58.725 -3.564 19.743 39 HA PRO 6 HA PRO 6 57.522 -0.002 14.118 40 HB2 PRO 6 HB2 PRO 6 59.099 0.093 11.927 41 HB3 PRO 6 HB1 PRO 6 59.640 0.730 13.493 42 HG2 PRO 6 HG2 PRO 6 60.339 -1.833 12.160 43 HG3 PRO 6 HG1 PRO 6 61.352 -0.748 13.125 44 HD2 PRO 6 HD2 PRO 6 60.173 -3.091 14.078 45 HD3 PRO 6 HD1 PRO 6 60.754 -1.757 15.098 46 H LYS 7 HN LYS 7 56.350 0.149 12.009 47 HA LYS 7 HA LYS 7 54.955 -2.261 11.359 48 HB2 LYS 7 HB2 LYS 7 54.544 -0.659 9.160 49 HB3 LYS 7 HB1 LYS 7 53.637 -0.527 10.667 50 HG2 LYS 7 HG2 LYS 7 55.029 1.232 11.471 51 HG3 LYS 7 HG1 LYS 7 56.243 0.940 10.224 52 HD2 LYS 7 HD2 LYS 7 54.858 1.818 8.512 53 HD3 LYS 7 HD1 LYS 7 53.415 1.731 9.522 54 HE2 LYS 7 HE2 LYS 7 55.741 3.440 10.367 55 HE3 LYS 7 HE1 LYS 7 54.580 4.048 9.187 56 HZ1 LYS 7 HZ1 LYS 7 54.151 3.315 12.005 57 HZ2 LYS 7 HZ2 LYS 7 52.856 3.240 10.908 58 HZ3 LYS 7 HZ3 LYS 7 53.663 4.711 11.174 59 H ALA 8 HN ALA 8 54.966 -3.317 9.169 60 HA ALA 8 HA ALA 8 57.480 -3.046 7.637 61 HB1 ALA 8 HB1 ALA 8 58.158 -4.646 9.319 62 HB2 ALA 8 HB2 ALA 8 57.897 -5.527 7.813 63 HB3 ALA 8 HB3 ALA 8 56.682 -5.583 9.091 64 H GLU 9 HN GLU 9 54.576 -5.093 8.066 65 HA GLU 9 HA GLU 9 53.474 -6.324 6.308 66 HB2 GLU 9 HB2 GLU 9 52.231 -4.384 4.965 67 HB3 GLU 9 HB1 GLU 9 51.859 -4.709 6.656 68 HG2 GLU 9 HG2 GLU 9 52.198 -2.330 6.446 69 HG3 GLU 9 HG1 GLU 9 53.607 -2.987 7.279 70 H1U RCY 10 H1U RCY 10 59.684 0.160 3.434 71 H1S RCY 10 H1S RCY 10 59.816 -3.967 0.874 72 HB1 RCY 10 HB1 RCY 10 58.076 -5.362 4.227 73 HB2 RCY 10 HB2 RCY 10 57.088 -4.255 3.274 74 HA RCY 10 HA RCY 10 55.682 -6.067 2.506 75 HN1 RCY 10 HN1 RCY 10 55.898 -6.675 5.398 76 H ARG 11 HN ARG 11 55.110 -8.500 3.281 77 HA ARG 11 HA ARG 11 57.531 -10.166 3.523 78 HE ARG 11 HE ARG 11 56.214 -13.525 6.819 79 HB2 ARG 11 HB2 ARG 11 55.179 -10.558 4.636 80 HB3 ARG 11 HB1 ARG 11 54.759 -11.256 3.074 81 HG2 ARG 11 HG2 ARG 11 55.564 -13.114 4.268 82 HG3 ARG 11 HG1 ARG 11 56.977 -12.603 3.345 83 HD2 ARG 11 HD2 ARG 11 57.986 -12.682 5.399 84 HD3 ARG 11 HD1 ARG 11 57.296 -11.066 5.548 85 HH11 ARG 11 HH21 ARG 11 56.143 -10.135 6.192 86 HH12 ARG 11 HH22 ARG 11 55.062 -9.781 7.497 87 HH21 ARG 11 HH11 ARG 11 54.802 -13.082 8.528 88 HH22 ARG 11 HH12 ARG 11 54.302 -11.449 8.820 89 H SER 12 HN SER 12 58.186 -11.677 1.906 90 HA SER 12 HA SER 12 56.813 -11.568 -0.719 91 HG SER 12 HG SER 12 59.755 -10.978 -2.539 92 HB2 SER 12 HB2 SER 12 58.521 -9.727 -0.705 93 HB3 SER 12 HB1 SER 12 59.766 -10.940 -0.420 94 H ALA 13 HN ALA 13 57.682 -13.498 1.572 95 HA ALA 13 HA ALA 13 58.366 -15.738 1.704 96 HB1 ALA 13 HB1 ALA 13 58.096 -15.840 -1.301 97 HB2 ALA 13 HB2 ALA 13 56.676 -15.760 -0.258 98 HB3 ALA 13 HB3 ALA 13 57.791 -17.121 -0.127 99 H THR 14 HN THR 14 60.503 -14.201 1.912 100 HA THR 14 HA THR 14 62.528 -15.496 0.132 101 HB THR 14 HB THR 14 63.810 -13.353 0.178 102 HG1 THR 14 HG1 THR 14 62.976 -11.617 1.127 103 HG21 THR 14 HG21 THR 14 62.441 -12.205 -1.471 104 HG22 THR 14 HG22 THR 14 60.995 -13.035 -0.897 105 HG23 THR 14 HG23 THR 14 62.272 -13.945 -1.703 106 H ARG 15 HN ARG 15 63.987 -16.589 1.348 107 HA ARG 15 HA ARG 15 64.770 -15.499 3.997 108 HE ARG 15 HE ARG 15 63.735 -14.944 5.332 109 HB2 ARG 15 HB2 ARG 15 62.829 -17.261 4.112 110 HB3 ARG 15 HB1 ARG 15 64.102 -18.428 3.760 111 HG2 ARG 15 HG2 ARG 15 64.450 -18.434 6.007 112 HG3 ARG 15 HG1 ARG 15 65.267 -16.895 5.729 113 HD2 ARG 15 HD2 ARG 15 62.328 -17.233 6.400 114 HD3 ARG 15 HD1 ARG 15 63.578 -16.681 7.515 115 HH11 ARG 15 HH21 ARG 15 61.366 -16.009 7.600 116 HH12 ARG 15 HH22 ARG 15 60.489 -14.515 7.587 117 HH21 ARG 15 HH11 ARG 15 62.603 -12.987 5.302 118 HH22 ARG 15 HH12 ARG 15 61.190 -12.805 6.286 119 H VAL 16 HN VAL 16 65.798 -16.372 1.104 120 HA VAL 16 HA VAL 16 68.464 -17.091 2.079 121 HB VAL 16 HB VAL 16 67.388 -19.303 2.008 122 HG11 VAL 16 HG11 VAL 16 66.929 -18.760 -0.938 123 HG12 VAL 16 HG12 VAL 16 65.669 -18.610 0.287 124 HG13 VAL 16 HG13 VAL 16 66.418 -20.177 -0.021 125 HG21 VAL 16 HG21 VAL 16 69.162 -19.026 -0.428 126 HG22 VAL 16 HG22 VAL 16 69.035 -20.401 0.670 127 HG23 VAL 16 HG23 VAL 16 69.793 -18.904 1.214 128 H MET 17 HN MET 17 66.246 -16.301 -0.505 129 HA MET 17 HA MET 17 66.602 -15.304 -2.599 130 HB2 MET 17 HB2 MET 17 69.116 -14.341 -1.196 131 HB3 MET 17 HB1 MET 17 68.453 -13.667 -2.685 132 HG2 MET 17 HG2 MET 17 66.493 -12.882 -1.575 133 HG3 MET 17 HG1 MET 17 66.840 -13.837 -0.134 134 HE1 MET 17 HE1 MET 17 68.790 -9.979 -1.591 135 HE2 MET 17 HE2 MET 17 67.587 -10.993 -2.384 136 HE3 MET 17 HE3 MET 17 69.277 -11.493 -2.364 137 H GLY 18 HN GLY 18 68.225 -15.231 -4.487 138 HA2 GLY 18 HA2 GLY 18 70.558 -16.500 -4.903 139 HA3 GLY 18 HA1 GLY 18 69.501 -17.892 -4.664 140 H GLY 19 HN GLY 19 69.652 -18.630 -6.821 141 HA2 GLY 19 HA2 GLY 19 68.799 -18.797 -9.011 142 HA3 GLY 19 HA1 GLY 19 67.829 -17.358 -8.691 143 HA PRO 20 HA PRO 20 72.302 -16.764 -10.926 144 HB2 PRO 20 HB2 PRO 20 70.546 -17.114 -13.336 145 HB3 PRO 20 HB1 PRO 20 72.273 -17.475 -13.140 146 HG2 PRO 20 HG2 PRO 20 70.416 -19.396 -13.073 147 HG3 PRO 20 HG1 PRO 20 71.870 -19.464 -12.066 148 HD2 PRO 20 HD2 PRO 20 69.061 -18.965 -11.257 149 HD3 PRO 20 HD1 PRO 20 70.425 -19.563 -10.287 150 H1U RCY 21 H1U RCY 21 73.228 -4.968 -10.788 151 H1S RCY 21 H1S RCY 21 72.144 -9.488 -9.399 152 HB1 RCY 21 HB1 RCY 21 72.896 -11.906 -10.920 153 HB2 RCY 21 HB2 RCY 21 71.637 -12.731 -10.000 154 HA RCY 21 HA RCY 21 70.422 -12.890 -12.321 155 HN1 RCY 21 HN1 RCY 21 72.756 -14.708 -11.954 156 H THR 22 HN THR 22 70.613 -12.288 -14.426 157 HA THR 22 HA THR 22 73.308 -12.013 -15.630 158 HB THR 22 HB THR 22 71.928 -11.650 -17.746 159 HG1 THR 22 HG1 THR 22 70.021 -11.053 -16.573 160 HG21 THR 22 HG21 THR 22 71.251 -14.074 -17.846 161 HG22 THR 22 HG22 THR 22 71.642 -14.196 -16.130 162 HG23 THR 22 HG23 THR 22 72.907 -13.814 -17.298 163 HA PRO 23 HA PRO 23 73.107 -7.606 -14.516 164 HB2 PRO 23 HB2 PRO 23 75.201 -7.570 -16.661 165 HB3 PRO 23 HB1 PRO 23 75.217 -6.809 -15.058 166 HG2 PRO 23 HG2 PRO 23 76.582 -9.042 -15.552 167 HG3 PRO 23 HG1 PRO 23 75.791 -8.766 -13.991 168 HD2 PRO 23 HD2 PRO 23 75.011 -10.621 -16.189 169 HD3 PRO 23 HD1 PRO 23 74.706 -10.747 -14.442 170 H ARG 24 HN ARG 24 72.092 -5.829 -15.466 171 HA ARG 24 HA ARG 24 71.470 -5.981 -18.389 172 HE ARG 24 HE ARG 24 67.830 -6.557 -18.806 173 HB2 ARG 24 HB2 ARG 24 69.502 -5.061 -16.274 174 HB3 ARG 24 HB1 ARG 24 69.187 -5.319 -17.988 175 HG2 ARG 24 HG2 ARG 24 70.143 -7.554 -16.193 176 HG3 ARG 24 HG1 ARG 24 68.429 -7.185 -16.386 177 HD2 ARG 24 HD2 ARG 24 70.373 -7.933 -18.591 178 HD3 ARG 24 HD1 ARG 24 69.046 -8.921 -17.980 179 HH11 ARG 24 HH21 ARG 24 69.899 -8.957 -20.164 180 HH12 ARG 24 HH22 ARG 24 69.277 -8.775 -21.770 181 HH21 ARG 24 HH11 ARG 24 67.006 -6.305 -20.896 182 HH22 ARG 24 HH12 ARG 24 67.639 -7.273 -22.184 183 H LYS 25 HN LYS 25 69.742 -3.491 -17.221 184 HA LYS 25 HA LYS 25 72.002 -1.558 -17.086 185 HB2 LYS 25 HB2 LYS 25 69.655 -1.364 -19.004 186 HB3 LYS 25 HB1 LYS 25 70.824 -0.077 -18.713 187 HG2 LYS 25 HG2 LYS 25 71.870 -1.049 -20.513 188 HG3 LYS 25 HG1 LYS 25 72.534 -2.091 -19.254 189 HD2 LYS 25 HD2 LYS 25 71.713 -3.679 -20.740 190 HD3 LYS 25 HD1 LYS 25 70.324 -3.479 -19.672 191 HE2 LYS 25 HE2 LYS 25 69.466 -1.717 -21.275 192 HE3 LYS 25 HE1 LYS 25 70.752 -2.197 -22.382 193 HZ1 LYS 25 HZ1 LYS 25 68.435 -3.297 -22.562 194 HZ2 LYS 25 HZ2 LYS 25 68.963 -4.238 -21.250 195 HZ3 LYS 25 HZ3 LYS 25 69.826 -4.257 -22.713 196 H GLY 26 HN GLY 26 68.436 -1.375 -17.368 197 HA2 GLY 26 HA2 GLY 26 66.869 -0.687 -15.731 198 HA3 GLY 26 HA1 GLY 26 68.190 -0.542 -14.572 199 HA PRO 27 HA PRO 27 66.381 3.643 -16.272 200 HB2 PRO 27 HB2 PRO 27 66.447 3.962 -13.291 201 HB3 PRO 27 HB1 PRO 27 65.280 4.602 -14.465 202 HG2 PRO 27 HG2 PRO 27 64.730 2.472 -12.952 203 HG3 PRO 27 HG1 PRO 27 64.138 2.620 -14.614 204 HD2 PRO 27 HD2 PRO 27 66.238 0.828 -13.532 205 HD3 PRO 27 HD1 PRO 27 65.248 0.651 -14.997 206 HA PRO 28 HA PRO 28 70.685 5.020 -16.292 207 HB2 PRO 28 HB2 PRO 28 69.304 7.676 -16.490 208 HB3 PRO 28 HB1 PRO 28 70.652 7.034 -17.450 209 HG2 PRO 28 HG2 PRO 28 68.158 7.105 -18.400 210 HG3 PRO 28 HG1 PRO 28 69.274 5.788 -18.798 211 HD2 PRO 28 HD2 PRO 28 66.887 5.748 -17.032 212 HD3 PRO 28 HD1 PRO 28 67.672 4.410 -17.899 213 H LYS 29 HN LYS 29 72.060 6.503 -14.959 214 HA LYS 29 HA LYS 29 71.071 6.604 -12.191 215 HB2 LYS 29 HB2 LYS 29 73.742 7.484 -13.330 216 HB3 LYS 29 HB1 LYS 29 73.362 7.250 -11.624 217 HG2 LYS 29 HG2 LYS 29 72.704 4.838 -12.316 218 HG3 LYS 29 HG1 LYS 29 73.608 5.172 -13.794 219 HD2 LYS 29 HD2 LYS 29 74.660 5.281 -10.954 220 HD3 LYS 29 HD1 LYS 29 75.121 4.134 -12.213 221 HE2 LYS 29 HE2 LYS 29 75.871 6.155 -13.586 222 HE3 LYS 29 HE1 LYS 29 75.696 7.101 -12.108 223 HZ1 LYS 29 HZ1 LYS 29 77.920 6.406 -12.164 224 HZ2 LYS 29 HZ2 LYS 29 77.512 4.819 -12.611 225 HZ3 LYS 29 HZ3 LYS 29 77.171 5.377 -11.043 226 H1U RCY 30 H1U RCY 30 69.589 6.345 -7.021 227 H1S RCY 30 H1S RCY 30 67.143 8.401 -9.611 228 HB1 RCY 30 HB1 RCY 30 68.758 11.699 -10.804 229 HB2 RCY 30 HB2 RCY 30 69.341 10.295 -9.911 230 HA RCY 30 HA RCY 30 69.813 10.824 -12.861 231 HN1 RCY 30 HN1 RCY 30 70.089 8.381 -11.368 232 H LYS 31 HN LYS 31 70.258 12.593 -10.475 233 HA LYS 31 HA LYS 31 73.171 12.489 -10.061 234 HB2 LYS 31 HB2 LYS 31 73.455 14.837 -10.931 235 HB3 LYS 31 HB1 LYS 31 73.123 13.643 -12.184 236 HG2 LYS 31 HG2 LYS 31 70.744 14.933 -10.959 237 HG3 LYS 31 HG1 LYS 31 71.750 15.971 -11.969 238 HD2 LYS 31 HD2 LYS 31 71.619 14.279 -13.791 239 HD3 LYS 31 HD1 LYS 31 70.537 13.314 -12.786 240 HE2 LYS 31 HE2 LYS 31 70.015 16.151 -13.723 241 HE3 LYS 31 HE1 LYS 31 69.251 14.698 -14.368 242 HZ1 LYS 31 HZ1 LYS 31 69.064 15.663 -11.565 243 HZ2 LYS 31 HZ2 LYS 31 68.344 14.248 -12.172 244 HZ3 LYS 31 HZ3 LYS 31 67.840 15.770 -12.735 245 H GLN 32 HN GLN 32 71.423 12.186 -8.064 246 HA GLN 32 HA GLN 32 70.657 13.095 -6.037 247 HB2 GLN 32 HB2 GLN 32 72.796 15.166 -6.619 248 HB3 GLN 32 HB1 GLN 32 72.120 14.769 -5.039 249 HG2 GLN 32 HG2 GLN 32 73.005 12.480 -5.219 250 HG3 GLN 32 HG1 GLN 32 73.662 12.852 -6.814 251 HE21 GLN 32 HE21 GLN 32 73.818 14.100 -3.427 252 HE22 GLN 32 HE22 GLN 32 75.451 14.554 -3.518 253 H ARG 33 HN ARG 33 68.579 13.756 -6.814 254 HA ARG 33 HA ARG 33 68.169 16.289 -8.145 255 HE ARG 33 HE ARG 33 63.795 17.029 -9.801 256 HB2 ARG 33 HB2 ARG 33 66.603 14.243 -8.120 257 HB3 ARG 33 HB1 ARG 33 66.085 14.811 -6.533 258 HG2 ARG 33 HG2 ARG 33 65.500 17.008 -7.527 259 HG3 ARG 33 HG1 ARG 33 65.966 16.398 -9.115 260 HD2 ARG 33 HD2 ARG 33 64.275 14.532 -8.768 261 HD3 ARG 33 HD1 ARG 33 63.703 15.423 -7.357 262 HH11 ARG 33 HH21 ARG 33 62.029 14.843 -7.804 263 HH12 ARG 33 HH22 ARG 33 60.479 15.356 -8.384 264 HH21 ARG 33 HH11 ARG 33 61.782 17.711 -10.570 265 HH22 ARG 33 HH12 ARG 33 60.340 16.980 -9.950 266 H GLN 34 HN GLN 34 68.500 15.316 -4.828 267 HA GLN 34 HA GLN 34 68.559 18.091 -3.962 268 HB2 GLN 34 HB2 GLN 34 66.063 16.616 -3.806 269 HB3 GLN 34 HB1 GLN 34 66.625 17.028 -2.187 270 HG2 GLN 34 HG2 GLN 34 66.511 19.046 -4.441 271 HG3 GLN 34 HG1 GLN 34 65.173 18.789 -3.320 272 HE21 GLN 34 HE21 GLN 34 65.265 19.950 -1.382 273 HE22 GLN 34 HE22 GLN 34 66.652 20.723 -0.783 274 H THR 35 HN THR 35 69.924 18.212 -2.227 275 HA THR 35 HA THR 35 70.999 15.712 -1.132 276 HB THR 35 HB THR 35 72.628 17.114 -0.035 277 HG1 THR 35 HG1 THR 35 70.596 18.935 -0.253 278 HG21 THR 35 HG21 THR 35 72.702 16.861 -2.569 279 HG22 THR 35 HG22 THR 35 73.588 18.238 -1.914 280 HG23 THR 35 HG23 THR 35 72.009 18.480 -2.661 281 H ARG 36 HN ARG 36 69.135 14.909 0.019 282 HA ARG 36 HA ARG 36 67.856 16.508 2.082 283 HE ARG 36 HE ARG 36 64.190 17.147 3.009 284 HB2 ARG 36 HB2 ARG 36 67.044 14.332 0.750 285 HB3 ARG 36 HB1 ARG 36 67.750 13.515 2.142 286 HG2 ARG 36 HG2 ARG 36 65.586 13.873 2.914 287 HG3 ARG 36 HG1 ARG 36 66.384 15.332 3.501 288 HD2 ARG 36 HD2 ARG 36 65.687 16.438 1.310 289 HD3 ARG 36 HD1 ARG 36 64.660 15.031 1.034 290 HH11 ARG 36 HH21 ARG 36 63.610 13.912 1.969 291 HH12 ARG 36 HH22 ARG 36 62.109 13.766 2.820 292 HH21 ARG 36 HH11 ARG 36 62.232 16.975 4.127 293 HH22 ARG 36 HH12 ARG 36 61.329 15.500 4.042 294 H GLN 37 HN GLN 37 70.875 15.159 1.904 295 HA GLN 37 HA GLN 37 72.499 14.607 3.500 296 HB2 GLN 37 HB2 GLN 37 70.643 16.386 5.095 297 HB3 GLN 37 HB1 GLN 37 72.150 15.753 5.757 298 HG2 GLN 37 HG2 GLN 37 72.054 17.247 3.132 299 HG3 GLN 37 HG1 GLN 37 72.274 18.074 4.675 300 HE21 GLN 37 HE21 GLN 37 74.068 16.982 2.157 301 HE22 GLN 37 HE22 GLN 37 75.495 16.545 2.965 302 H1U RCY 38 H1U RCY 38 75.660 8.942 4.190 303 H1S RCY 38 H1S RCY 38 71.516 8.742 3.703 304 HB1 RCY 38 HB1 RCY 38 69.719 9.706 4.994 305 HB2 RCY 38 HB2 RCY 38 71.212 10.623 5.194 306 HA RCY 38 HA RCY 38 68.399 11.672 4.858 307 HN1 RCY 38 HN1 RCY 38 69.446 13.369 3.595 308 H LYS 39 HN LYS 39 68.813 13.893 6.477 309 HA LYS 39 HA LYS 39 70.270 13.193 8.889 310 HB2 LYS 39 HB2 LYS 39 68.347 15.379 8.120 311 HB3 LYS 39 HB1 LYS 39 68.801 15.162 9.809 312 HG2 LYS 39 HG2 LYS 39 70.962 15.236 7.731 313 HG3 LYS 39 HG1 LYS 39 70.224 16.753 8.247 314 HD2 LYS 39 HD2 LYS 39 71.331 14.707 10.185 315 HD3 LYS 39 HD1 LYS 39 72.272 16.068 9.574 316 HE2 LYS 39 HE2 LYS 39 71.418 17.171 11.372 317 HE3 LYS 39 HE1 LYS 39 69.978 17.328 10.365 318 HZ1 LYS 39 HZ1 LYS 39 70.131 16.081 12.794 319 HZ2 LYS 39 HZ2 LYS 39 70.093 14.800 11.679 320 HZ3 LYS 39 HZ3 LYS 39 68.854 15.962 11.683 321 H SER 40 HN SER 40 69.578 11.735 10.358 322 HA SER 40 HA SER 40 67.039 11.721 11.585 323 HG SER 40 HG SER 40 68.232 10.481 8.802 324 HB2 SER 40 HB2 SER 40 66.300 9.440 10.465 325 HB3 SER 40 HB1 SER 40 65.886 10.973 9.703 326 H LYS 41 HN LYS 41 70.098 10.433 10.962 327 HA LYS 41 HA LYS 41 69.759 8.291 13.020 328 HB2 LYS 41 HB2 LYS 41 71.981 8.743 11.000 329 HB3 LYS 41 HB1 LYS 41 71.917 7.416 12.156 330 HG2 LYS 41 HG2 LYS 41 70.927 6.339 10.384 331 HG3 LYS 41 HG1 LYS 41 69.484 7.117 11.036 332 HD2 LYS 41 HD2 LYS 41 69.756 8.992 9.487 333 HD3 LYS 41 HD1 LYS 41 71.252 8.291 8.870 334 HE2 LYS 41 HE2 LYS 41 69.380 7.773 7.362 335 HE3 LYS 41 HE1 LYS 41 69.995 6.298 8.108 336 HZ1 LYS 41 HZ1 LYS 41 67.848 7.724 9.485 337 HZ2 LYS 41 HZ2 LYS 41 68.152 6.056 9.382 338 HZ3 LYS 41 HZ3 LYS 41 67.440 6.875 8.075 339 HA PRO 42 HA PRO 42 72.008 10.799 15.895 340 HB2 PRO 42 HB2 PRO 42 73.270 8.837 17.372 341 HB3 PRO 42 HB1 PRO 42 71.558 9.268 17.553 342 HG2 PRO 42 HG2 PRO 42 72.787 6.995 16.082 343 HG3 PRO 42 HG1 PRO 42 71.304 7.047 17.049 344 HD2 PRO 42 HD2 PRO 42 71.278 7.094 14.319 345 HD3 PRO 42 HD1 PRO 42 70.034 7.897 15.303 346 HA PRO 43 HA PRO 43 76.151 11.324 14.448 347 HB2 PRO 43 HB2 PRO 43 77.465 12.136 16.730 348 HB3 PRO 43 HB1 PRO 43 76.375 13.177 15.795 349 HG2 PRO 43 HG2 PRO 43 75.859 11.676 18.308 350 HG3 PRO 43 HG1 PRO 43 75.307 13.286 17.818 351 HD2 PRO 43 HD2 PRO 43 73.696 11.081 17.714 352 HD3 PRO 43 HD1 PRO 43 73.522 12.453 16.597 353 H LYS 44 HN LYS 44 77.573 9.719 13.937 354 HA LYS 44 HA LYS 44 79.220 8.383 15.836 355 HB2 LYS 44 HB2 LYS 44 76.583 7.278 15.590 356 HB3 LYS 44 HB1 LYS 44 77.716 6.134 14.874 357 HG2 LYS 44 HG2 LYS 44 79.135 6.392 16.963 358 HG3 LYS 44 HG1 LYS 44 77.793 7.291 17.673 359 HD2 LYS 44 HD2 LYS 44 77.692 4.439 16.645 360 HD3 LYS 44 HD1 LYS 44 77.644 4.941 18.336 361 HE2 LYS 44 HE2 LYS 44 75.550 5.321 16.202 362 HE3 LYS 44 HE1 LYS 44 75.372 4.613 17.807 363 HZ1 LYS 44 HZ1 LYS 44 75.682 6.752 18.799 364 HZ2 LYS 44 HZ2 LYS 44 74.460 6.881 17.626 365 HZ3 LYS 44 HZ3 LYS 44 76.022 7.464 17.297 366 H LYS 45 HN LYS 45 80.880 8.662 14.351 367 HA LYS 45 HA LYS 45 81.075 6.755 12.186 368 HB2 LYS 45 HB2 LYS 45 79.615 8.913 11.442 369 HB3 LYS 45 HB1 LYS 45 81.231 9.526 11.097 370 HG2 LYS 45 HG2 LYS 45 81.625 7.280 9.889 371 HG3 LYS 45 HG1 LYS 45 79.874 7.083 9.954 372 HD2 LYS 45 HD2 LYS 45 81.387 9.375 8.669 373 HD3 LYS 45 HD1 LYS 45 80.463 8.125 7.835 374 HE2 LYS 45 HE2 LYS 45 78.453 8.929 9.235 375 HE3 LYS 45 HE1 LYS 45 79.431 10.354 9.590 376 HZ1 LYS 45 HZ1 LYS 45 78.822 11.173 7.643 377 HZ2 LYS 45 HZ2 LYS 45 77.971 9.754 7.256 378 HZ3 LYS 45 HZ3 LYS 45 79.617 9.896 6.858 379 H GLY 46 HN GLY 46 83.127 7.565 10.747 380 HA2 GLY 46 HA2 GLY 46 85.100 9.267 11.637 381 HA3 GLY 46 HA1 GLY 46 85.284 7.862 12.689 382 H VAL 47 HN VAL 47 86.355 6.090 11.890 383 HA VAL 47 HA VAL 47 87.312 6.264 9.072 384 HB VAL 47 HB VAL 47 88.767 4.241 10.116 385 HG11 VAL 47 HG11 VAL 47 89.199 7.222 10.435 386 HG12 VAL 47 HG12 VAL 47 89.774 6.190 9.125 387 HG13 VAL 47 HG13 VAL 47 90.457 6.025 10.742 388 HG21 VAL 47 HG21 VAL 47 88.356 6.075 12.484 389 HG22 VAL 47 HG22 VAL 47 89.197 4.526 12.439 390 HG23 VAL 47 HG23 VAL 47 87.440 4.580 12.297 391 H GLN 48 HN GLN 48 86.252 3.709 11.366 392 HA GLN 48 HA GLN 48 85.133 1.688 10.936 393 HB2 GLN 48 HB2 GLN 48 83.872 3.163 8.617 394 HB3 GLN 48 HB1 GLN 48 83.170 1.877 9.598 395 HG2 GLN 48 HG2 GLN 48 83.224 3.379 11.575 396 HG3 GLN 48 HG1 GLN 48 83.861 4.671 10.555 397 HE21 GLN 48 HE21 GLN 48 81.969 3.252 8.381 398 HE22 GLN 48 HE22 GLN 48 80.476 3.998 8.692 399 H GLY 49 HN GLY 49 87.519 2.762 9.065 400 HA2 GLY 49 HA2 GLY 49 88.898 1.576 7.556 401 HA3 GLY 49 HA1 GLY 49 87.736 0.248 7.601 402 H1U RCY 50 H1U RCY 50 86.123 -0.388 -0.826 403 H1S RCY 50 H1S RCY 50 83.606 1.734 2.759 404 HB1 RCY 50 HB1 RCY 50 84.524 3.111 5.407 405 HB2 RCY 50 HB2 RCY 50 85.157 1.927 4.264 406 HA RCY 50 HA RCY 50 87.139 3.222 3.886 407 HN1 RCY 50 HN1 RCY 50 87.264 3.669 6.710 408 H GLY 51 HN GLY 51 86.466 5.183 2.757 409 HA2 GLY 51 HA2 GLY 51 85.758 7.497 2.722 410 HA3 GLY 51 HA1 GLY 51 85.958 7.554 4.473 411 H ASP 52 HN ASP 52 87.966 8.120 5.318 412 HA ASP 52 HA ASP 52 90.076 9.155 5.284 413 HB2 ASP 52 HB2 ASP 52 90.554 6.743 4.519 414 HB3 ASP 52 HB1 ASP 52 90.637 7.403 2.885 415 H ASP 53 HN ASP 53 87.806 9.852 3.167 416 HA ASP 53 HA ASP 53 89.345 12.044 1.965 417 HB2 ASP 53 HB2 ASP 53 88.818 11.484 -0.343 418 HB3 ASP 53 HB1 ASP 53 89.674 10.123 0.383 419 H ILE 54 HN ILE 54 87.301 12.573 -0.049 420 HA ILE 54 HA ILE 54 84.966 13.183 1.736 421 HB ILE 54 HB ILE 54 85.858 14.865 -0.615 422 HG12 ILE 54 HG12 ILE 54 87.692 14.786 1.030 423 HG13 ILE 54 HG11 ILE 54 86.910 16.367 1.054 424 HG21 ILE 54 HG21 ILE 54 83.543 15.166 0.136 425 HG22 ILE 54 HG22 ILE 54 84.503 16.582 0.566 426 HG23 ILE 54 HG23 ILE 54 84.093 15.387 1.797 427 HD11 ILE 54 HD11 ILE 54 86.854 15.986 3.310 428 HD12 ILE 54 HD12 ILE 54 86.928 14.234 3.119 429 HD13 ILE 54 HD13 ILE 54 85.398 15.082 2.895 430 HA PRO 55 HA PRO 55 83.409 10.855 -1.939 431 HB2 PRO 55 HB2 PRO 55 82.209 8.820 -0.652 432 HB3 PRO 55 HB1 PRO 55 83.968 8.848 -0.893 433 HG2 PRO 55 HG2 PRO 55 82.392 9.460 1.549 434 HG3 PRO 55 HG1 PRO 55 83.956 8.646 1.386 435 HD2 PRO 55 HD2 PRO 55 83.595 11.340 2.084 436 HD3 PRO 55 HD1 PRO 55 85.113 10.618 1.508 437 H GLY 56 HN GLY 56 81.165 10.570 -2.651 438 HA2 GLY 56 HA2 GLY 56 78.777 10.769 -2.356 439 HA3 GLY 56 HA1 GLY 56 79.062 11.616 -0.836 440 H MET 57 HN MET 57 81.203 12.907 -3.003 441 HA MET 57 HA MET 57 79.772 15.399 -3.161 442 HB2 MET 57 HB2 MET 57 81.615 16.084 -4.708 443 HB3 MET 57 HB1 MET 57 82.204 15.391 -3.199 444 HG2 MET 57 HG2 MET 57 82.085 13.131 -4.616 445 HG3 MET 57 HG1 MET 57 82.277 14.253 -5.963 446 HE1 MET 57 HE1 MET 57 84.584 11.872 -4.457 447 HE2 MET 57 HE2 MET 57 85.727 12.668 -5.537 448 HE3 MET 57 HE3 MET 57 84.070 12.392 -6.067 449 H GLU 58 HN GLU 58 80.843 13.332 -5.894 450 HA GLU 58 HA GLU 58 78.314 13.033 -7.114 451 HB2 GLU 58 HB2 GLU 58 78.663 14.758 -8.998 452 HB3 GLU 58 HB1 GLU 58 78.099 15.377 -7.448 453 HG2 GLU 58 HG2 GLU 58 80.221 16.239 -6.880 454 HG3 GLU 58 HG1 GLU 58 81.045 15.239 -8.077 455 H GLY 59 HN GLY 59 80.137 11.181 -7.020 456 HA2 GLY 59 HA2 GLY 59 80.637 10.163 -9.491 457 HA3 GLY 59 HA1 GLY 59 81.980 11.293 -9.311 458 H1U RCY 60 H1U RCY 60 80.704 1.902 -4.841 459 H1S RCY 60 H1S RCY 60 79.603 6.175 -6.300 460 HB1 RCY 60 HB1 RCY 60 82.051 6.672 -6.239 461 HB2 RCY 60 HB2 RCY 60 82.701 5.498 -7.383 462 HA RCY 60 HA RCY 60 83.754 7.997 -6.980 463 HN1 RCY 60 HN1 RCY 60 82.326 8.472 -9.523 464 H GLY 61 HN GLY 61 82.842 5.894 -9.714 465 HA2 GLY 61 HA2 GLY 61 84.919 6.028 -11.444 466 HA3 GLY 61 HA1 GLY 61 85.683 5.200 -10.086 467 H THR 62 HN THR 62 85.053 3.059 -9.601 468 HA THR 62 HA THR 62 84.436 1.283 -11.626 469 HB THR 62 HB THR 62 84.118 -0.326 -9.984 470 HG1 THR 62 HG1 THR 62 82.542 -0.084 -8.645 471 HG21 THR 62 HG21 THR 62 85.591 0.165 -8.198 472 HG22 THR 62 HG22 THR 62 85.153 1.874 -8.198 473 HG23 THR 62 HG23 THR 62 86.129 1.213 -9.510 474 H ASP 63 HN ASP 63 82.802 1.723 -13.074 475 HA ASP 63 HA ASP 63 80.230 2.783 -12.313 476 HB2 ASP 63 HB2 ASP 63 81.034 1.212 -14.788 477 HB3 ASP 63 HB1 ASP 63 79.540 2.133 -14.605 478 H ILE 64 HN ILE 64 80.345 1.046 -10.448 479 HA ILE 64 HA ILE 64 79.745 -1.071 -9.591 480 HB ILE 64 HB ILE 64 77.662 0.030 -9.374 481 HG12 ILE 64 HG12 ILE 64 76.856 -2.322 -11.077 482 HG13 ILE 64 HG11 ILE 64 77.682 -2.575 -9.540 483 HG21 ILE 64 HG21 ILE 64 77.370 -0.352 -12.369 484 HG22 ILE 64 HG22 ILE 64 77.627 1.176 -11.526 485 HG23 ILE 64 HG23 ILE 64 76.112 0.298 -11.318 486 HD11 ILE 64 HD11 ILE 64 75.296 -2.637 -9.126 487 HD12 ILE 64 HD12 ILE 64 75.066 -1.109 -9.978 488 HD13 ILE 64 HD13 ILE 64 75.932 -1.141 -8.441 489 H THR 65 HN THR 65 81.316 -2.281 -10.903 490 HA THR 65 HA THR 65 80.453 -3.477 -13.403 491 HB THR 65 HB THR 65 82.854 -3.309 -12.907 492 HG1 THR 65 HG1 THR 65 83.271 -5.706 -12.972 493 HG21 THR 65 HG21 THR 65 82.446 -5.312 -10.685 494 HG22 THR 65 HG22 THR 65 82.431 -3.574 -10.383 495 HG23 THR 65 HG23 THR 65 83.878 -4.343 -11.035 496 H VAL 66 HN VAL 66 78.387 -3.701 -11.689 497 HA VAL 66 HA VAL 66 76.816 -5.314 -11.031 498 HB VAL 66 HB VAL 66 78.872 -7.499 -11.288 499 HG11 VAL 66 HG11 VAL 66 75.952 -7.379 -12.087 500 HG12 VAL 66 HG12 VAL 66 76.498 -7.871 -10.483 501 HG13 VAL 66 HG13 VAL 66 76.952 -8.819 -11.900 502 HG21 VAL 66 HG21 VAL 66 77.922 -5.695 -13.420 503 HG22 VAL 66 HG22 VAL 66 77.703 -7.409 -13.773 504 HG23 VAL 66 HG23 VAL 66 79.310 -6.783 -13.404 505 H ILE 67 HN ILE 67 80.113 -5.418 -9.858 506 HA ILE 67 HA ILE 67 79.074 -5.654 -7.080 507 HB ILE 67 HB ILE 67 81.340 -7.294 -8.256 508 HG12 ILE 67 HG12 ILE 67 78.771 -8.139 -6.882 509 HG13 ILE 67 HG11 ILE 67 78.995 -8.111 -8.631 510 HG21 ILE 67 HG21 ILE 67 82.024 -6.571 -6.064 511 HG22 ILE 67 HG22 ILE 67 81.445 -8.228 -5.901 512 HG23 ILE 67 HG23 ILE 67 80.421 -6.883 -5.399 513 HD11 ILE 67 HD11 ILE 67 79.398 -10.372 -7.692 514 HD12 ILE 67 HD12 ILE 67 80.686 -9.709 -6.686 515 HD13 ILE 67 HD13 ILE 67 80.849 -9.707 -8.442 516 H1U RCY 68 H1U RCY 68 75.135 -0.922 -5.088 517 H1S RCY 68 H1S RCY 68 79.309 0.514 -5.221 518 HB1 RCY 68 HB1 RCY 68 81.467 -0.890 -5.066 519 HB2 RCY 68 HB2 RCY 68 79.935 -1.742 -5.258 520 HA RCY 68 HA RCY 68 82.045 -2.280 -7.291 521 HN1 RCY 68 HN1 RCY 68 79.675 -3.635 -6.318 522 HA PRO 69 HA PRO 69 85.062 -4.605 -4.930 523 HB2 PRO 69 HB2 PRO 69 86.403 -1.921 -4.964 524 HB3 PRO 69 HB1 PRO 69 87.078 -3.523 -5.321 525 HG2 PRO 69 HG2 PRO 69 86.425 -1.816 -7.263 526 HG3 PRO 69 HG1 PRO 69 86.203 -3.564 -7.446 527 HD2 PRO 69 HD2 PRO 69 84.152 -1.445 -7.080 528 HD3 PRO 69 HD1 PRO 69 83.997 -3.048 -7.832 529 H TRP 70 HN TRP 70 85.283 -1.245 -3.748 530 HA TRP 70 HA TRP 70 85.434 -2.117 -1.011 531 HD1 TRP 70 HD1 TRP 70 83.995 1.823 0.125 532 HE1 TRP 70 HE1 TRP 70 82.328 3.282 -1.190 533 HE3 TRP 70 HE3 TRP 70 84.789 0.036 -4.592 534 HZ2 TRP 70 HZ2 TRP 70 81.445 3.645 -3.890 535 HZ3 TRP 70 HZ3 TRP 70 83.526 0.953 -6.512 536 HH2 TRP 70 HH2 TRP 70 81.856 2.753 -6.171 537 HB2 TRP 70 HB2 TRP 70 85.793 0.118 -0.477 538 HB3 TRP 70 HB1 TRP 70 86.302 0.084 -2.162 539 H GLU 71 HN GLU 71 83.114 -3.247 -2.055 540 HA GLU 71 HA GLU 71 81.083 -1.974 -0.302 541 HB2 GLU 71 HB2 GLU 71 80.743 -1.219 -2.707 542 HB3 GLU 71 HB1 GLU 71 80.413 -2.904 -3.107 543 HG2 GLU 71 HG2 GLU 71 78.934 -1.696 -0.805 544 HG3 GLU 71 HG1 GLU 71 78.441 -1.241 -2.436 545 H ALA 72 HN ALA 72 82.732 -4.693 -1.335 546 HA ALA 72 HA ALA 72 80.670 -6.698 -1.085 547 HB1 ALA 72 HB1 ALA 72 82.632 -7.412 -2.195 548 HB2 ALA 72 HB2 ALA 72 82.723 -8.208 -0.624 549 HB3 ALA 72 HB3 ALA 72 83.683 -6.762 -0.939 550 H1U RCY 73 H1U RCY 73 76.772 -1.171 0.078 551 H1S RCY 73 H1S RCY 73 80.475 -1.381 1.691 552 HB1 RCY 73 HB1 RCY 73 79.980 -4.504 4.640 553 HB2 RCY 73 HB2 RCY 73 79.188 -4.332 3.073 554 HA RCY 73 HA RCY 73 81.904 -5.617 3.492 555 HN1 RCY 73 HN1 RCY 73 80.780 -4.686 1.109 556 H ASN 74 HN ASN 74 81.728 -7.550 4.474 557 HA ASN 74 HA ASN 74 80.335 -9.779 3.809 558 HB2 ASN 74 HB2 ASN 74 81.258 -8.698 6.409 559 HB3 ASN 74 HB1 ASN 74 80.042 -9.969 6.525 560 HD21 ASN 74 HD21 ASN 74 83.389 -9.378 6.016 561 HD22 ASN 74 HD22 ASN 74 83.824 -10.945 5.528 562 H HIS 75 HN HIS 75 78.316 -10.782 4.544 563 HA HIS 75 HA HIS 75 76.026 -10.777 5.106 564 HD1 HIS 75 HD1 HIS 75 73.993 -10.378 5.022 565 HD2 HIS 75 HD2 HIS 75 74.505 -8.145 8.508 566 HE1 HIS 75 HE1 HIS 75 71.831 -10.581 6.325 567 HE2 HIS 75 HE2 HIS 75 72.129 -9.226 8.450 568 HB2 HIS 75 HB2 HIS 75 76.833 -8.984 6.846 569 HB3 HIS 75 HB1 HIS 75 76.142 -7.825 5.710 570 H1U RCY 76 H1U RCY 76 77.582 -0.836 2.898 571 H1S RCY 76 H1S RCY 76 77.663 -5.695 2.981 572 HB1 RCY 76 HB1 RCY 76 76.110 -7.402 -0.105 573 HB2 RCY 76 HB2 RCY 76 77.481 -7.731 0.953 574 HA RCY 76 HA RCY 76 74.766 -9.048 1.247 575 HN1 RCY 76 HN1 RCY 76 77.191 -10.159 2.487 576 H GLU 77 HN GLU 77 77.208 -8.621 -0.919 577 HA GLU 77 HA GLU 77 76.511 -11.005 -2.402 578 HB2 GLU 77 HB2 GLU 77 77.286 -8.701 -3.307 579 HB3 GLU 77 HB1 GLU 77 78.919 -9.280 -2.979 580 HG2 GLU 77 HG2 GLU 77 78.500 -9.890 -5.238 581 HG3 GLU 77 HG1 GLU 77 78.267 -11.377 -4.317 582 H LEU 78 HN LEU 78 79.704 -9.940 -1.125 583 HA LEU 78 HA LEU 78 80.254 -12.779 -0.425 584 HG LEU 78 HG LEU 78 82.776 -13.222 -0.437 585 HB2 LEU 78 HB2 LEU 78 81.154 -12.206 -2.750 586 HB3 LEU 78 HB1 LEU 78 82.267 -11.106 -1.939 587 HD11 LEU 78 HD11 LEU 78 81.050 -14.651 -1.424 588 HD12 LEU 78 HD12 LEU 78 82.645 -15.306 -1.793 589 HD13 LEU 78 HD13 LEU 78 81.748 -14.421 -3.027 590 HD21 LEU 78 HD21 LEU 78 84.443 -12.110 -1.831 591 HD22 LEU 78 HD22 LEU 78 83.770 -12.855 -3.281 592 HD23 LEU 78 HD23 LEU 78 84.570 -13.853 -2.066 593 H HIS 79 HN HIS 79 83.122 -11.175 -0.413 594 HA HIS 79 HA HIS 79 82.879 -9.565 1.980 595 HD1 HIS 79 HD1 HIS 79 84.570 -8.958 3.368 596 HD2 HIS 79 HD2 HIS 79 85.407 -12.849 4.618 597 HE1 HIS 79 HE1 HIS 79 86.382 -8.770 5.128 598 HE2 HIS 79 HE2 HIS 79 86.901 -11.131 5.897 599 HB2 HIS 79 HB2 HIS 79 82.625 -11.617 3.172 600 HB3 HIS 79 HB1 HIS 79 83.861 -12.418 2.203 601 H GLU 80 HN GLU 80 84.685 -8.258 2.115 602 HA GLU 80 HA GLU 80 87.210 -9.158 0.835 603 HB2 GLU 80 HB2 GLU 80 85.743 -6.603 0.107 604 HB3 GLU 80 HB1 GLU 80 87.403 -6.966 -0.360 605 HG2 GLU 80 HG2 GLU 80 85.014 -8.701 -1.052 606 HG3 GLU 80 HG1 GLU 80 85.747 -7.531 -2.150 607 H LEU 81 HN LEU 81 86.385 -5.839 1.661 608 HA LEU 81 HA LEU 81 88.474 -5.921 3.776 609 HG LEU 81 HG LEU 81 85.854 -3.806 2.543 610 HB2 LEU 81 HB2 LEU 81 88.242 -3.404 3.661 611 HB3 LEU 81 HB1 LEU 81 88.801 -4.160 2.169 612 HD11 LEU 81 HD11 LEU 81 87.840 -1.601 1.965 613 HD12 LEU 81 HD12 LEU 81 86.539 -1.609 3.156 614 HD13 LEU 81 HD13 LEU 81 86.159 -1.509 1.437 615 HD21 LEU 81 HD21 LEU 81 85.818 -4.038 0.258 616 HD22 LEU 81 HD22 LEU 81 87.368 -4.827 0.549 617 HD23 LEU 81 HD23 LEU 81 87.320 -3.139 0.042 618 H ALA 82 HN ALA 82 85.621 -6.926 4.088 619 HA ALA 82 HA ALA 82 83.964 -5.245 5.576 620 HB1 ALA 82 HB1 ALA 82 83.582 -7.704 4.994 621 HB2 ALA 82 HB2 ALA 82 83.048 -7.204 6.600 622 HB3 ALA 82 HB3 ALA 82 84.560 -8.093 6.410 623 H GLN 83 HN GLN 83 83.911 -4.534 7.723 624 HA GLN 83 HA GLN 83 85.980 -5.400 9.622 625 HB2 GLN 83 HB2 GLN 83 86.962 -3.554 8.091 626 HB3 GLN 83 HB1 GLN 83 85.862 -2.462 8.931 627 HG2 GLN 83 HG2 GLN 83 87.849 -2.318 10.195 628 HG3 GLN 83 HG1 GLN 83 86.863 -3.463 11.105 629 HE21 GLN 83 HE21 GLN 83 87.478 -5.738 11.047 630 HE22 GLN 83 HE22 GLN 83 88.991 -6.233 10.455 631 H TYR 84 HN TYR 84 84.073 -2.397 9.310 632 HA TYR 84 HA TYR 84 82.537 -3.241 11.742 633 HD1 TYR 84 HD2 TYR 84 82.658 -1.930 14.272 634 HD2 TYR 84 HD1 TYR 84 85.949 -1.318 11.580 635 HE1 TYR 84 HE2 TYR 84 84.247 -2.546 16.074 636 HE2 TYR 84 HE1 TYR 84 87.538 -1.934 13.382 637 HH TYR 84 HH TYR 84 86.409 -3.166 16.484 638 HB2 TYR 84 HB2 TYR 84 83.731 -0.567 10.999 639 HB3 TYR 84 HB1 TYR 84 82.391 -0.688 12.141 640 H GLY 85 HN GLY 85 82.458 -2.175 8.489 641 HA2 GLY 85 HA2 GLY 85 79.778 -1.019 8.584 642 HA3 GLY 85 HA1 GLY 85 80.683 -1.418 7.121 643 H ILE 86 HN ILE 86 80.128 -3.704 9.717 644 HA ILE 86 HA ILE 86 79.539 -6.023 8.836 645 HB ILE 86 HB ILE 86 77.362 -6.236 10.057 646 HG12 ILE 86 HG12 ILE 86 77.589 -3.251 9.893 647 HG13 ILE 86 HG11 ILE 86 76.160 -4.273 9.728 648 HG21 ILE 86 HG21 ILE 86 78.319 -5.871 12.189 649 HG22 ILE 86 HG22 ILE 86 79.252 -4.484 11.627 650 HG23 ILE 86 HG23 ILE 86 79.712 -6.114 11.135 651 HD11 ILE 86 HD11 ILE 86 77.584 -3.429 12.249 652 HD12 ILE 86 HD12 ILE 86 76.539 -4.850 12.227 653 HD13 ILE 86 HD13 ILE 86 75.876 -3.261 11.842 654 H1U RCY 87 H1U RCY 87 76.903 -7.547 1.890 655 H1S RCY 87 H1S RCY 87 74.813 -5.632 5.407 656 HB1 RCY 87 HB1 RCY 87 75.475 -2.402 6.081 657 HB2 RCY 87 HB2 RCY 87 74.718 -3.201 7.459 658 HA RCY 87 HA RCY 87 75.542 -5.405 6.309 659 HN1 RCY 87 HN1 RCY 87 76.802 -3.760 8.241 Start of MODEL 35 1 HA MET 1 HA MET 1 83.314 -12.958 19.077 2 HB2 MET 1 HB2 MET 1 85.695 -12.239 18.606 3 HB3 MET 1 HB1 MET 1 86.109 -13.946 18.452 4 HG2 MET 1 HG2 MET 1 85.653 -13.122 16.233 5 HG3 MET 1 HG1 MET 1 84.290 -14.136 16.705 6 HE1 MET 1 HE1 MET 1 85.381 -10.949 15.203 7 HE2 MET 1 HE2 MET 1 85.701 -10.527 16.884 8 HE3 MET 1 HE3 MET 1 84.465 -9.653 15.982 9 H ASN 2 HN ASN 2 81.919 -14.581 18.617 10 HA ASN 2 HA ASN 2 82.775 -17.195 17.808 11 HB2 ASN 2 HB2 ASN 2 81.658 -18.411 19.776 12 HB3 ASN 2 HB1 ASN 2 83.239 -17.694 20.093 13 HD21 ASN 2 HD21 ASN 2 83.111 -16.929 22.223 14 HD22 ASN 2 HD22 ASN 2 81.864 -15.944 22.818 15 H LEU 3 HN LEU 3 80.017 -17.554 19.700 16 HA LEU 3 HA LEU 3 77.755 -17.772 19.128 17 HG LEU 3 HG LEU 3 75.937 -16.859 18.043 18 HB2 LEU 3 HB2 LEU 3 77.968 -15.289 19.115 19 HB3 LEU 3 HB1 LEU 3 78.366 -15.353 17.400 20 HD11 LEU 3 HD11 LEU 3 75.620 -15.151 19.742 21 HD12 LEU 3 HD12 LEU 3 74.552 -14.794 18.385 22 HD13 LEU 3 HD13 LEU 3 76.045 -13.880 18.597 23 HD21 LEU 3 HD21 LEU 3 75.147 -15.800 16.059 24 HD22 LEU 3 HD22 LEU 3 76.867 -16.073 15.780 25 HD23 LEU 3 HD23 LEU 3 76.289 -14.467 16.226 26 H GLU 4 HN GLU 4 77.339 -19.572 17.929 27 HA GLU 4 HA GLU 4 78.502 -20.325 15.497 28 HB2 GLU 4 HB2 GLU 4 76.132 -21.511 15.185 29 HB3 GLU 4 HB1 GLU 4 77.255 -22.044 16.436 30 HG2 GLU 4 HG2 GLU 4 76.094 -20.844 18.135 31 HG3 GLU 4 HG1 GLU 4 75.166 -19.921 16.952 32 HA PRO 5 HA PRO 5 76.938 -17.635 12.380 33 HB2 PRO 5 HB2 PRO 5 76.328 -19.467 10.363 34 HB3 PRO 5 HB1 PRO 5 77.941 -18.809 10.690 35 HG2 PRO 5 HG2 PRO 5 76.773 -21.421 11.475 36 HG3 PRO 5 HG1 PRO 5 78.429 -21.019 10.993 37 HD2 PRO 5 HD2 PRO 5 77.752 -21.442 13.590 38 HD3 PRO 5 HD1 PRO 5 79.017 -20.282 13.122 39 HA PRO 6 HA PRO 6 72.518 -17.595 12.544 40 HB2 PRO 6 HB2 PRO 6 71.859 -16.321 10.216 41 HB3 PRO 6 HB1 PRO 6 72.609 -15.491 11.593 42 HG2 PRO 6 HG2 PRO 6 73.859 -16.480 9.080 43 HG3 PRO 6 HG1 PRO 6 74.159 -14.982 9.978 44 HD2 PRO 6 HD2 PRO 6 75.804 -17.172 10.134 45 HD3 PRO 6 HD1 PRO 6 75.613 -16.003 11.460 46 H LYS 7 HN LYS 7 70.746 -18.857 11.939 47 HA LYS 7 HA LYS 7 71.164 -21.195 10.367 48 HB2 LYS 7 HB2 LYS 7 68.603 -19.806 11.209 49 HB3 LYS 7 HB1 LYS 7 68.659 -21.408 10.475 50 HG2 LYS 7 HG2 LYS 7 70.408 -20.895 12.846 51 HG3 LYS 7 HG1 LYS 7 68.679 -21.109 13.124 52 HD2 LYS 7 HD2 LYS 7 70.144 -23.051 11.362 53 HD3 LYS 7 HD1 LYS 7 70.255 -23.212 13.115 54 HE2 LYS 7 HE2 LYS 7 68.008 -23.718 13.351 55 HE3 LYS 7 HE1 LYS 7 67.548 -22.829 11.900 56 HZ1 LYS 7 HZ1 LYS 7 68.375 -25.572 12.190 57 HZ2 LYS 7 HZ2 LYS 7 69.158 -24.755 10.923 58 HZ3 LYS 7 HZ3 LYS 7 67.462 -24.838 10.963 59 H ALA 8 HN ALA 8 68.790 -21.220 8.730 60 HA ALA 8 HA ALA 8 69.475 -19.183 6.643 61 HB1 ALA 8 HB1 ALA 8 69.267 -20.866 4.923 62 HB2 ALA 8 HB2 ALA 8 68.735 -22.071 6.095 63 HB3 ALA 8 HB3 ALA 8 70.396 -21.481 6.130 64 H GLU 9 HN GLU 9 67.586 -18.057 7.606 65 HA GLU 9 HA GLU 9 65.056 -19.060 6.396 66 HB2 GLU 9 HB2 GLU 9 65.474 -18.248 9.280 67 HB3 GLU 9 HB1 GLU 9 63.881 -18.240 8.522 68 HG2 GLU 9 HG2 GLU 9 64.010 -20.602 8.055 69 HG3 GLU 9 HG1 GLU 9 65.701 -20.662 8.554 70 H1U RCY 10 H1U RCY 10 60.207 -10.794 5.242 71 H1S RCY 10 H1S RCY 10 63.463 -12.035 2.169 72 HB1 RCY 10 HB1 RCY 10 63.287 -15.447 3.410 73 HB2 RCY 10 HB2 RCY 10 64.966 -15.975 3.289 74 HA RCY 10 HA RCY 10 65.215 -14.683 5.581 75 HN1 RCY 10 HN1 RCY 10 64.256 -17.448 5.146 76 H ARG 11 HN ARG 11 63.536 -12.902 5.421 77 HA ARG 11 HA ARG 11 61.700 -11.862 6.460 78 HE ARG 11 HE ARG 11 58.071 -11.688 4.366 79 HB2 ARG 11 HB2 ARG 11 60.463 -14.382 5.322 80 HB3 ARG 11 HB1 ARG 11 59.513 -13.076 6.033 81 HG2 ARG 11 HG2 ARG 11 60.400 -11.490 4.404 82 HG3 ARG 11 HG1 ARG 11 61.458 -12.731 3.732 83 HD2 ARG 11 HD2 ARG 11 59.571 -12.655 2.277 84 HD3 ARG 11 HD1 ARG 11 59.336 -14.088 3.277 85 HH11 ARG 11 HH21 ARG 11 57.846 -14.400 2.249 86 HH12 ARG 11 HH22 ARG 11 56.115 -14.448 2.279 87 HH21 ARG 11 HH11 ARG 11 55.812 -11.735 4.417 88 HH22 ARG 11 HH12 ARG 11 54.963 -12.939 3.507 89 H SER 12 HN SER 12 62.585 -12.119 8.627 90 HA SER 12 HA SER 12 61.771 -14.480 10.185 91 HG SER 12 HG SER 12 62.033 -13.861 12.429 92 HB2 SER 12 HB2 SER 12 63.958 -13.465 10.629 93 HB3 SER 12 HB1 SER 12 63.190 -11.924 10.996 94 H ALA 13 HN ALA 13 60.925 -11.041 9.947 95 HA ALA 13 HA ALA 13 58.247 -11.522 10.900 96 HB1 ALA 13 HB1 ALA 13 60.109 -10.075 12.809 97 HB2 ALA 13 HB2 ALA 13 59.474 -11.701 13.060 98 HB3 ALA 13 HB3 ALA 13 58.377 -10.320 13.031 99 H THR 14 HN THR 14 58.834 -10.313 8.631 100 HA THR 14 HA THR 14 58.686 -8.315 7.402 101 HB THR 14 HB THR 14 56.977 -6.820 8.126 102 HG1 THR 14 HG1 THR 14 56.651 -6.355 10.172 103 HG21 THR 14 HG21 THR 14 55.187 -8.300 8.722 104 HG22 THR 14 HG22 THR 14 56.297 -9.435 9.489 105 HG23 THR 14 HG23 THR 14 56.308 -9.239 7.736 106 H ARG 15 HN ARG 15 61.086 -8.110 7.877 107 HA ARG 15 HA ARG 15 62.235 -6.630 9.945 108 HE ARG 15 HE ARG 15 63.755 -5.664 3.828 109 HB2 ARG 15 HB2 ARG 15 63.939 -5.902 8.202 110 HB3 ARG 15 HB1 ARG 15 63.663 -7.642 8.298 111 HG2 ARG 15 HG2 ARG 15 62.225 -7.598 6.365 112 HG3 ARG 15 HG1 ARG 15 62.218 -5.834 6.344 113 HD2 ARG 15 HD2 ARG 15 64.710 -5.903 5.980 114 HD3 ARG 15 HD1 ARG 15 64.581 -7.653 5.802 115 HH11 ARG 15 HH21 ARG 15 63.345 -8.838 5.112 116 HH12 ARG 15 HH22 ARG 15 62.723 -9.498 3.637 117 HH21 ARG 15 HH11 ARG 15 62.945 -6.508 1.894 118 HH22 ARG 15 HH12 ARG 15 62.496 -8.179 1.815 119 H VAL 16 HN VAL 16 63.036 -4.312 9.832 120 HA VAL 16 HA VAL 16 60.942 -2.462 9.763 121 HB VAL 16 HB VAL 16 63.876 -1.958 9.176 122 HG11 VAL 16 HG11 VAL 16 61.569 -0.122 9.852 123 HG12 VAL 16 HG12 VAL 16 62.673 -0.018 8.480 124 HG13 VAL 16 HG13 VAL 16 63.251 0.345 10.106 125 HG21 VAL 16 HG21 VAL 16 62.261 -1.840 11.744 126 HG22 VAL 16 HG22 VAL 16 63.955 -1.377 11.587 127 HG23 VAL 16 HG23 VAL 16 63.473 -3.056 11.342 128 H MET 17 HN MET 17 59.717 -1.737 8.097 129 HA MET 17 HA MET 17 60.944 -1.059 5.524 130 HB2 MET 17 HB2 MET 17 59.492 -2.558 4.199 131 HB3 MET 17 HB1 MET 17 60.564 -3.482 5.252 132 HG2 MET 17 HG2 MET 17 58.699 -3.587 6.939 133 HG3 MET 17 HG1 MET 17 57.642 -2.843 5.739 134 HE1 MET 17 HE1 MET 17 57.437 -3.534 3.484 135 HE2 MET 17 HE2 MET 17 57.273 -5.199 2.933 136 HE3 MET 17 HE3 MET 17 58.855 -4.423 2.912 137 H GLY 18 HN GLY 18 58.226 -1.179 7.700 138 HA2 GLY 18 HA2 GLY 18 56.319 0.179 7.859 139 HA3 GLY 18 HA1 GLY 18 57.243 1.376 6.949 140 H GLY 19 HN GLY 19 55.221 1.902 5.828 141 HA2 GLY 19 HA2 GLY 19 53.975 -0.145 4.148 142 HA3 GLY 19 HA1 GLY 19 53.555 1.569 4.176 143 HA PRO 20 HA PRO 20 55.650 0.490 0.094 144 HB2 PRO 20 HB2 PRO 20 53.876 2.817 -0.552 145 HB3 PRO 20 HB1 PRO 20 54.186 1.342 -1.489 146 HG2 PRO 20 HG2 PRO 20 51.927 1.667 -0.124 147 HG3 PRO 20 HG1 PRO 20 52.715 0.085 -0.247 148 HD2 PRO 20 HD2 PRO 20 52.575 1.938 2.086 149 HD3 PRO 20 HD1 PRO 20 52.700 0.166 2.058 150 H1U RCY 21 H1U RCY 21 61.757 0.453 -5.665 151 H1S RCY 21 H1S RCY 21 62.141 2.142 -1.190 152 HB1 RCY 21 HB1 RCY 21 60.195 3.878 -1.162 153 HB2 RCY 21 HB2 RCY 21 59.235 2.710 -2.070 154 HA RCY 21 HA RCY 21 58.444 3.869 0.621 155 HN1 RCY 21 HN1 RCY 21 57.261 1.745 -1.006 156 H THR 22 HN THR 22 58.431 6.066 0.155 157 HA THR 22 HA THR 22 57.210 6.964 -2.406 158 HB THR 22 HB THR 22 55.866 8.654 -1.025 159 HG1 THR 22 HG1 THR 22 55.949 6.777 1.027 160 HG21 THR 22 HG21 THR 22 54.061 6.993 -0.581 161 HG22 THR 22 HG22 THR 22 55.225 5.696 -0.853 162 HG23 THR 22 HG23 THR 22 54.795 6.785 -2.171 163 HA PRO 23 HA PRO 23 60.743 9.660 -1.331 164 HB2 PRO 23 HB2 PRO 23 61.822 9.823 -3.799 165 HB3 PRO 23 HB1 PRO 23 62.022 8.377 -2.789 166 HG2 PRO 23 HG2 PRO 23 60.228 8.820 -5.110 167 HG3 PRO 23 HG1 PRO 23 61.085 7.356 -4.605 168 HD2 PRO 23 HD2 PRO 23 58.372 7.915 -4.114 169 HD3 PRO 23 HD1 PRO 23 59.337 6.662 -3.303 170 H ARG 24 HN ARG 24 60.400 10.614 -4.627 171 HA ARG 24 HA ARG 24 59.745 12.660 -5.573 172 HE ARG 24 HE ARG 24 57.412 9.526 -7.748 173 HB2 ARG 24 HB2 ARG 24 57.542 12.574 -3.495 174 HB3 ARG 24 HB1 ARG 24 57.505 13.385 -5.059 175 HG2 ARG 24 HG2 ARG 24 57.969 10.412 -4.890 176 HG3 ARG 24 HG1 ARG 24 56.332 11.068 -4.845 177 HD2 ARG 24 HD2 ARG 24 56.763 12.257 -6.977 178 HD3 ARG 24 HD1 ARG 24 58.380 11.556 -7.029 179 HH11 ARG 24 HH21 ARG 24 55.091 11.655 -6.344 180 HH12 ARG 24 HH22 ARG 24 53.733 10.668 -6.768 181 HH21 ARG 24 HH11 ARG 24 55.651 8.225 -8.310 182 HH22 ARG 24 HH12 ARG 24 54.049 8.726 -7.881 183 H LYS 25 HN LYS 25 61.397 12.544 -2.957 184 HA LYS 25 HA LYS 25 60.746 14.967 -1.519 185 HB2 LYS 25 HB2 LYS 25 62.219 12.920 -0.798 186 HB3 LYS 25 HB1 LYS 25 63.516 13.788 -1.615 187 HG2 LYS 25 HG2 LYS 25 63.713 14.662 0.530 188 HG3 LYS 25 HG1 LYS 25 62.608 15.832 -0.193 189 HD2 LYS 25 HD2 LYS 25 61.696 15.177 1.951 190 HD3 LYS 25 HD1 LYS 25 60.692 14.458 0.692 191 HE2 LYS 25 HE2 LYS 25 61.709 13.040 2.770 192 HE3 LYS 25 HE1 LYS 25 61.348 12.328 1.198 193 HZ1 LYS 25 HZ1 LYS 25 63.651 12.844 0.534 194 HZ2 LYS 25 HZ2 LYS 25 63.565 11.747 1.829 195 HZ3 LYS 25 HZ3 LYS 25 63.971 13.372 2.114 196 H GLY 26 HN GLY 26 62.857 14.188 -4.244 197 HA2 GLY 26 HA2 GLY 26 63.268 15.916 -5.951 198 HA3 GLY 26 HA1 GLY 26 63.254 17.120 -4.661 199 HA PRO 27 HA PRO 27 67.637 15.438 -5.995 200 HB2 PRO 27 HB2 PRO 27 67.890 18.420 -6.150 201 HB3 PRO 27 HB1 PRO 27 68.650 17.172 -7.157 202 HG2 PRO 27 HG2 PRO 27 66.552 18.585 -8.011 203 HG3 PRO 27 HG1 PRO 27 66.779 16.884 -8.450 204 HD2 PRO 27 HD2 PRO 27 64.794 18.089 -6.603 205 HD3 PRO 27 HD1 PRO 27 64.723 16.550 -7.489 206 HA PRO 28 HA PRO 28 68.430 15.996 -1.548 207 HB2 PRO 28 HB2 PRO 28 71.129 15.060 -2.435 208 HB3 PRO 28 HB1 PRO 28 70.116 14.478 -1.100 209 HG2 PRO 28 HG2 PRO 28 70.358 13.104 -3.370 210 HG3 PRO 28 HG1 PRO 28 68.829 13.161 -2.477 211 HD2 PRO 28 HD2 PRO 28 69.570 14.527 -5.028 212 HD3 PRO 28 HD1 PRO 28 67.981 13.954 -4.473 213 H LYS 29 HN LYS 29 70.045 17.261 -0.251 214 HA LYS 29 HA LYS 29 70.922 19.655 -1.767 215 HB2 LYS 29 HB2 LYS 29 70.527 19.029 1.159 216 HB3 LYS 29 HB1 LYS 29 71.442 20.450 0.656 217 HG2 LYS 29 HG2 LYS 29 69.100 21.067 0.996 218 HG3 LYS 29 HG1 LYS 29 69.496 21.179 -0.719 219 HD2 LYS 29 HD2 LYS 29 68.376 19.149 -1.224 220 HD3 LYS 29 HD1 LYS 29 68.307 18.672 0.473 221 HE2 LYS 29 HE2 LYS 29 66.114 19.511 -0.380 222 HE3 LYS 29 HE1 LYS 29 66.738 20.475 0.958 223 HZ1 LYS 29 HZ1 LYS 29 67.191 21.166 -1.888 224 HZ2 LYS 29 HZ2 LYS 29 67.480 22.137 -0.525 225 HZ3 LYS 29 HZ3 LYS 29 65.887 21.769 -0.986 226 H1U RCY 30 H1U RCY 30 80.688 15.236 -1.634 227 H1S RCY 30 H1S RCY 30 77.619 16.805 0.651 228 HB1 RCY 30 HB1 RCY 30 75.070 20.217 0.588 229 HB2 RCY 30 HB2 RCY 30 75.278 19.483 -1.001 230 HA RCY 30 HA RCY 30 74.770 17.283 -0.116 231 HN1 RCY 30 HN1 RCY 30 72.528 18.554 1.149 232 H LYS 31 HN LYS 31 73.474 16.359 1.987 233 HA LYS 31 HA LYS 31 75.340 16.842 4.264 234 HB2 LYS 31 HB2 LYS 31 72.401 16.397 4.778 235 HB3 LYS 31 HB1 LYS 31 73.616 17.087 5.850 236 HG2 LYS 31 HG2 LYS 31 72.794 18.438 3.271 237 HG3 LYS 31 HG1 LYS 31 71.970 18.748 4.800 238 HD2 LYS 31 HD2 LYS 31 74.954 18.911 4.764 239 HD3 LYS 31 HD1 LYS 31 74.046 20.232 4.027 240 HE2 LYS 31 HE2 LYS 31 72.809 20.599 6.087 241 HE3 LYS 31 HE1 LYS 31 73.558 19.186 6.831 242 HZ1 LYS 31 HZ1 LYS 31 75.072 20.621 7.573 243 HZ2 LYS 31 HZ2 LYS 31 74.593 21.844 6.494 244 HZ3 LYS 31 HZ3 LYS 31 75.680 20.639 5.989 245 H GLN 32 HN GLN 32 76.090 14.775 3.050 246 HA GLN 32 HA GLN 32 75.091 12.483 4.577 247 HB2 GLN 32 HB2 GLN 32 74.941 11.259 2.175 248 HB3 GLN 32 HB1 GLN 32 73.542 12.010 2.941 249 HG2 GLN 32 HG2 GLN 32 73.873 12.687 0.537 250 HG3 GLN 32 HG1 GLN 32 73.851 14.043 1.666 251 HE21 GLN 32 HE21 GLN 32 75.673 15.400 1.670 252 HE22 GLN 32 HE22 GLN 32 77.128 15.053 0.869 253 H ARG 33 HN ARG 33 77.296 12.475 5.323 254 HA ARG 33 HA ARG 33 79.530 12.309 3.494 255 HE ARG 33 HE ARG 33 79.007 12.639 8.732 256 HB2 ARG 33 HB2 ARG 33 79.314 11.456 6.402 257 HB3 ARG 33 HB1 ARG 33 80.818 11.615 5.498 258 HG2 ARG 33 HG2 ARG 33 80.816 13.737 6.337 259 HG3 ARG 33 HG1 ARG 33 79.682 14.052 5.023 260 HD2 ARG 33 HD2 ARG 33 78.518 14.867 6.886 261 HD3 ARG 33 HD1 ARG 33 77.875 13.232 6.729 262 HH11 ARG 33 HH21 ARG 33 79.975 15.706 7.490 263 HH12 ARG 33 HH22 ARG 33 80.869 16.146 8.907 264 HH21 ARG 33 HH11 ARG 33 80.168 13.196 10.589 265 HH22 ARG 33 HH12 ARG 33 80.978 14.725 10.661 266 H GLN 34 HN GLN 34 80.823 9.983 4.784 267 HA GLN 34 HA GLN 34 79.182 7.655 4.334 268 HB2 GLN 34 HB2 GLN 34 80.097 6.846 2.269 269 HB3 GLN 34 HB1 GLN 34 79.565 8.499 1.973 270 HG2 GLN 34 HG2 GLN 34 82.386 7.493 2.383 271 HG3 GLN 34 HG1 GLN 34 81.736 8.385 1.007 272 HE21 GLN 34 HE21 GLN 34 83.800 8.881 3.467 273 HE22 GLN 34 HE22 GLN 34 83.475 10.506 3.835 274 H THR 35 HN THR 35 80.011 6.409 5.916 275 HA THR 35 HA THR 35 82.839 5.665 5.836 276 HB THR 35 HB THR 35 83.137 6.296 8.300 277 HG1 THR 35 HG1 THR 35 81.313 8.326 7.962 278 HG21 THR 35 HG21 THR 35 82.736 8.710 6.538 279 HG22 THR 35 HG22 THR 35 84.024 7.548 6.219 280 HG23 THR 35 HG23 THR 35 83.988 8.428 7.747 281 H ARG 36 HN ARG 36 82.718 3.482 6.126 282 HA ARG 36 HA ARG 36 81.763 2.198 8.415 283 HE ARG 36 HE ARG 36 81.434 0.611 8.490 284 HB2 ARG 36 HB2 ARG 36 79.508 2.439 8.218 285 HB3 ARG 36 HB1 ARG 36 79.628 2.950 6.540 286 HG2 ARG 36 HG2 ARG 36 78.482 0.891 6.390 287 HG3 ARG 36 HG1 ARG 36 80.154 0.447 6.043 288 HD2 ARG 36 HD2 ARG 36 78.569 0.000 8.562 289 HD3 ARG 36 HD1 ARG 36 79.527 -1.156 7.637 290 HH11 ARG 36 HH21 ARG 36 78.821 -1.039 10.019 291 HH12 ARG 36 HH22 ARG 36 79.608 -1.136 11.559 292 HH21 ARG 36 HH11 ARG 36 82.477 0.495 10.492 293 HH22 ARG 36 HH12 ARG 36 81.678 -0.267 11.827 294 H GLN 37 HN GLN 37 82.175 2.053 4.930 295 HA GLN 37 HA GLN 37 83.333 0.475 3.637 296 HB2 GLN 37 HB2 GLN 37 84.716 0.339 5.868 297 HB3 GLN 37 HB1 GLN 37 83.881 -1.195 6.083 298 HG2 GLN 37 HG2 GLN 37 84.623 -1.797 3.724 299 HG3 GLN 37 HG1 GLN 37 85.666 -0.376 3.784 300 HE21 GLN 37 HE21 GLN 37 85.549 -1.366 6.928 301 HE22 GLN 37 HE22 GLN 37 86.888 -2.408 6.959 302 H1U RCY 38 H1U RCY 38 80.875 -4.122 -2.341 303 H1S RCY 38 H1S RCY 38 80.292 -6.053 1.409 304 HB1 RCY 38 HB1 RCY 38 82.260 -4.206 3.718 305 HB2 RCY 38 HB2 RCY 38 81.111 -3.184 2.858 306 HA RCY 38 HA RCY 38 79.935 -2.685 4.937 307 HN1 RCY 38 HN1 RCY 38 82.547 -2.051 5.942 308 H LYS 39 HN LYS 39 82.882 -4.550 5.754 309 HA LYS 39 HA LYS 39 82.292 -5.142 8.418 310 HB2 LYS 39 HB2 LYS 39 80.519 -6.538 6.581 311 HB3 LYS 39 HB1 LYS 39 81.503 -7.697 7.468 312 HG2 LYS 39 HG2 LYS 39 80.086 -5.422 8.862 313 HG3 LYS 39 HG1 LYS 39 79.297 -6.973 8.572 314 HD2 LYS 39 HD2 LYS 39 80.677 -8.110 10.039 315 HD3 LYS 39 HD1 LYS 39 82.022 -6.992 9.804 316 HE2 LYS 39 HE2 LYS 39 81.053 -6.699 12.044 317 HE3 LYS 39 HE1 LYS 39 80.784 -5.256 11.067 318 HZ1 LYS 39 HZ1 LYS 39 78.575 -5.639 10.937 319 HZ2 LYS 39 HZ2 LYS 39 78.853 -6.448 12.405 320 HZ3 LYS 39 HZ3 LYS 39 78.737 -7.327 10.956 321 H SER 40 HN SER 40 84.647 -4.837 7.924 322 HA SER 40 HA SER 40 86.811 -5.716 7.707 323 HG SER 40 HG SER 40 86.007 -7.787 10.302 324 HB2 SER 40 HB2 SER 40 85.585 -8.463 7.920 325 HB3 SER 40 HB1 SER 40 87.151 -7.910 8.507 326 H LYS 41 HN LYS 41 88.172 -6.987 6.185 327 HA LYS 41 HA LYS 41 87.616 -6.668 3.518 328 HB2 LYS 41 HB2 LYS 41 89.054 -9.079 4.659 329 HB3 LYS 41 HB1 LYS 41 89.234 -8.431 3.030 330 HG2 LYS 41 HG2 LYS 41 90.965 -7.249 3.913 331 HG3 LYS 41 HG1 LYS 41 89.704 -6.202 4.564 332 HD2 LYS 41 HD2 LYS 41 89.641 -7.880 6.548 333 HD3 LYS 41 HD1 LYS 41 91.213 -8.412 5.949 334 HE2 LYS 41 HE2 LYS 41 90.432 -5.661 6.928 335 HE3 LYS 41 HE1 LYS 41 91.694 -6.720 7.557 336 HZ1 LYS 41 HZ1 LYS 41 93.127 -6.083 5.981 337 HZ2 LYS 41 HZ2 LYS 41 92.106 -4.737 5.797 338 HZ3 LYS 41 HZ3 LYS 41 91.953 -6.071 4.756 339 HA PRO 42 HA PRO 42 84.144 -9.603 3.297 340 HB2 PRO 42 HB2 PRO 42 82.999 -8.561 1.051 341 HB3 PRO 42 HB1 PRO 42 82.795 -7.838 2.658 342 HG2 PRO 42 HG2 PRO 42 84.547 -6.997 0.416 343 HG3 PRO 42 HG1 PRO 42 83.669 -6.013 1.596 344 HD2 PRO 42 HD2 PRO 42 86.389 -6.581 1.728 345 HD3 PRO 42 HD1 PRO 42 85.393 -6.077 3.110 346 HA PRO 43 HA PRO 43 85.282 -12.874 0.564 347 HB2 PRO 43 HB2 PRO 43 82.825 -12.170 -1.020 348 HB3 PRO 43 HB1 PRO 43 83.407 -13.765 -0.499 349 HG2 PRO 43 HG2 PRO 43 81.444 -12.463 0.788 350 HG3 PRO 43 HG1 PRO 43 82.597 -13.514 1.626 351 HD2 PRO 43 HD2 PRO 43 82.340 -10.584 1.755 352 HD3 PRO 43 HD1 PRO 43 83.208 -11.683 2.848 353 H LYS 44 HN LYS 44 85.942 -13.291 -1.723 354 HA LYS 44 HA LYS 44 87.653 -11.658 -2.940 355 HB2 LYS 44 HB2 LYS 44 86.892 -12.461 -5.188 356 HB3 LYS 44 HB1 LYS 44 87.058 -13.746 -3.996 357 HG2 LYS 44 HG2 LYS 44 84.932 -14.326 -4.508 358 HG3 LYS 44 HG1 LYS 44 84.436 -12.865 -3.652 359 HD2 LYS 44 HD2 LYS 44 83.436 -12.596 -5.761 360 HD3 LYS 44 HD1 LYS 44 84.924 -11.660 -5.911 361 HE2 LYS 44 HE2 LYS 44 86.031 -13.506 -7.041 362 HE3 LYS 44 HE1 LYS 44 84.634 -14.550 -6.779 363 HZ1 LYS 44 HZ1 LYS 44 83.767 -13.781 -8.646 364 HZ2 LYS 44 HZ2 LYS 44 85.095 -12.747 -8.877 365 HZ3 LYS 44 HZ3 LYS 44 83.739 -12.210 -8.005 366 H LYS 45 HN LYS 45 87.714 -9.567 -3.491 367 HA LYS 45 HA LYS 45 85.159 -8.202 -4.255 368 HB2 LYS 45 HB2 LYS 45 86.334 -7.435 -2.139 369 HB3 LYS 45 HB1 LYS 45 87.676 -6.918 -3.158 370 HG2 LYS 45 HG2 LYS 45 86.447 -5.207 -4.150 371 HG3 LYS 45 HG1 LYS 45 84.903 -6.004 -3.848 372 HD2 LYS 45 HD2 LYS 45 85.129 -4.081 -2.356 373 HD3 LYS 45 HD1 LYS 45 85.191 -5.569 -1.411 374 HE2 LYS 45 HE2 LYS 45 86.960 -3.995 -0.705 375 HE3 LYS 45 HE1 LYS 45 87.654 -5.464 -1.393 376 HZ1 LYS 45 HZ1 LYS 45 88.226 -4.386 -3.338 377 HZ2 LYS 45 HZ2 LYS 45 88.541 -3.198 -2.165 378 HZ3 LYS 45 HZ3 LYS 45 87.124 -3.119 -3.098 379 H GLY 46 HN GLY 46 86.400 -9.565 -6.279 380 HA2 GLY 46 HA2 GLY 46 88.348 -7.902 -7.668 381 HA3 GLY 46 HA1 GLY 46 87.546 -9.327 -8.330 382 H VAL 47 HN VAL 47 85.482 -9.073 -9.328 383 HA VAL 47 HA VAL 47 84.277 -7.869 -10.999 384 HB VAL 47 HB VAL 47 82.762 -6.182 -9.752 385 HG11 VAL 47 HG11 VAL 47 82.056 -8.467 -10.228 386 HG12 VAL 47 HG12 VAL 47 81.586 -8.054 -8.579 387 HG13 VAL 47 HG13 VAL 47 82.997 -9.073 -8.865 388 HG21 VAL 47 HG21 VAL 47 82.851 -6.315 -7.312 389 HG22 VAL 47 HG22 VAL 47 84.412 -5.766 -7.922 390 HG23 VAL 47 HG23 VAL 47 84.208 -7.438 -7.397 391 H GLN 48 HN GLN 48 86.271 -6.909 -11.975 392 HA GLN 48 HA GLN 48 87.437 -5.064 -12.831 393 HB2 GLN 48 HB2 GLN 48 85.088 -3.429 -11.849 394 HB3 GLN 48 HB1 GLN 48 86.155 -3.081 -13.209 395 HG2 GLN 48 HG2 GLN 48 84.245 -5.429 -13.020 396 HG3 GLN 48 HG1 GLN 48 84.007 -3.985 -14.004 397 HE21 GLN 48 HE21 GLN 48 86.200 -6.795 -13.591 398 HE22 GLN 48 HE22 GLN 48 86.760 -6.789 -15.193 399 H GLY 49 HN GLY 49 88.005 -5.838 -10.114 400 HA2 GLY 49 HA2 GLY 49 88.981 -5.002 -8.141 401 HA3 GLY 49 HA1 GLY 49 89.690 -3.812 -9.233 402 H1U RCY 50 H1U RCY 50 79.558 -0.060 -5.036 403 H1S RCY 50 H1S RCY 50 82.610 -1.222 -8.485 404 HB1 RCY 50 HB1 RCY 50 83.997 -2.423 -6.109 405 HB2 RCY 50 HB2 RCY 50 84.631 -4.054 -6.325 406 HA RCY 50 HA RCY 50 85.930 -1.616 -7.563 407 HN1 RCY 50 HN1 RCY 50 86.634 -4.471 -7.492 408 H GLY 51 HN GLY 51 87.370 -0.461 -6.283 409 HA2 GLY 51 HA2 GLY 51 87.056 -0.640 -3.418 410 HA3 GLY 51 HA1 GLY 51 88.627 -1.269 -3.919 411 H ASP 52 HN ASP 52 88.583 0.967 -2.322 412 HA ASP 52 HA ASP 52 89.719 2.995 -4.159 413 HB2 ASP 52 HB2 ASP 52 87.429 3.767 -3.906 414 HB3 ASP 52 HB1 ASP 52 87.514 3.569 -2.156 415 H ASP 53 HN ASP 53 91.557 1.834 -2.986 416 HA ASP 53 HA ASP 53 93.249 1.856 -1.362 417 HB2 ASP 53 HB2 ASP 53 92.068 4.587 -0.758 418 HB3 ASP 53 HB1 ASP 53 93.670 4.022 -0.283 419 H ILE 54 HN ILE 54 91.700 3.944 0.862 420 HA ILE 54 HA ILE 54 90.693 1.598 2.433 421 HB ILE 54 HB ILE 54 92.092 4.047 3.554 422 HG12 ILE 54 HG12 ILE 54 93.438 2.247 2.182 423 HG13 ILE 54 HG11 ILE 54 94.057 2.793 3.741 424 HG21 ILE 54 HG21 ILE 54 92.163 2.475 5.595 425 HG22 ILE 54 HG22 ILE 54 90.941 1.524 4.752 426 HG23 ILE 54 HG23 ILE 54 90.604 3.197 5.197 427 HD11 ILE 54 HD11 ILE 54 92.231 0.399 3.516 428 HD12 ILE 54 HD12 ILE 54 93.291 0.843 4.853 429 HD13 ILE 54 HD13 ILE 54 93.979 0.248 3.343 430 HA PRO 55 HA PRO 55 87.398 4.815 2.169 431 HB2 PRO 55 HB2 PRO 55 85.509 3.371 0.918 432 HB3 PRO 55 HB1 PRO 55 86.870 4.074 0.021 433 HG2 PRO 55 HG2 PRO 55 86.430 1.267 0.878 434 HG3 PRO 55 HG1 PRO 55 87.179 1.896 -0.598 435 HD2 PRO 55 HD2 PRO 55 88.557 0.972 1.679 436 HD3 PRO 55 HD1 PRO 55 89.256 1.932 0.357 437 H GLY 56 HN GLY 56 84.999 4.558 2.956 438 HA2 GLY 56 HA2 GLY 56 83.457 3.788 4.557 439 HA3 GLY 56 HA1 GLY 56 84.384 2.291 4.656 440 H MET 57 HN MET 57 86.782 2.924 5.616 441 HA MET 57 HA MET 57 87.898 3.460 7.610 442 HB2 MET 57 HB2 MET 57 87.311 5.780 6.600 443 HB3 MET 57 HB1 MET 57 86.053 5.842 7.832 444 HG2 MET 57 HG2 MET 57 87.970 5.199 9.483 445 HG3 MET 57 HG1 MET 57 89.040 5.751 8.194 446 HE1 MET 57 HE1 MET 57 89.045 7.882 7.114 447 HE2 MET 57 HE2 MET 57 88.279 9.379 7.640 448 HE3 MET 57 HE3 MET 57 87.321 8.146 6.825 449 H GLU 58 HN GLU 58 84.732 4.862 8.465 450 HA GLU 58 HA GLU 58 83.518 2.778 9.828 451 HB2 GLU 58 HB2 GLU 58 84.299 3.402 12.246 452 HB3 GLU 58 HB1 GLU 58 85.300 2.316 11.288 453 HG2 GLU 58 HG2 GLU 58 86.984 3.843 11.074 454 HG3 GLU 58 HG1 GLU 58 85.865 5.196 10.905 455 H GLY 59 HN GLY 59 81.526 3.602 10.333 456 HA2 GLY 59 HA2 GLY 59 80.756 5.671 11.906 457 HA3 GLY 59 HA1 GLY 59 81.205 6.529 10.432 458 H1U RCY 60 H1U RCY 60 76.309 7.012 1.621 459 H1S RCY 60 H1S RCY 60 74.740 5.364 5.562 460 HB1 RCY 60 HB1 RCY 60 78.258 4.378 8.018 461 HB2 RCY 60 HB2 RCY 60 78.028 5.859 7.092 462 HA RCY 60 HA RCY 60 76.968 6.955 8.941 463 HN1 RCY 60 HN1 RCY 60 79.129 7.166 9.825 464 H GLY 61 HN GLY 61 77.427 3.501 9.617 465 HA2 GLY 61 HA2 GLY 61 76.475 2.209 11.390 466 HA3 GLY 61 HA1 GLY 61 75.676 3.665 11.989 467 H THR 62 HN THR 62 75.427 3.123 8.626 468 HA THR 62 HA THR 62 73.550 2.748 7.276 469 HB THR 62 HB THR 62 72.206 0.676 8.044 470 HG1 THR 62 HG1 THR 62 74.420 0.416 9.776 471 HG21 THR 62 HG21 THR 62 74.058 -0.822 7.382 472 HG22 THR 62 HG22 THR 62 75.202 0.500 7.617 473 HG23 THR 62 HG23 THR 62 73.983 0.604 6.347 474 H ASP 63 HN ASP 63 73.233 4.124 10.216 475 HA ASP 63 HA ASP 63 70.387 3.891 10.673 476 HB2 ASP 63 HB2 ASP 63 72.465 5.906 11.559 477 HB3 ASP 63 HB1 ASP 63 70.769 6.025 12.029 478 H ILE 64 HN ILE 64 70.566 4.284 7.981 479 HA ILE 64 HA ILE 64 69.842 5.673 6.230 480 HB ILE 64 HB ILE 64 68.403 6.698 8.668 481 HG12 ILE 64 HG12 ILE 64 66.452 5.891 7.425 482 HG13 ILE 64 HG11 ILE 64 67.458 5.571 6.012 483 HG21 ILE 64 HG21 ILE 64 68.714 8.751 7.502 484 HG22 ILE 64 HG22 ILE 64 67.113 8.189 7.022 485 HG23 ILE 64 HG23 ILE 64 68.484 7.982 5.932 486 HD11 ILE 64 HD11 ILE 64 67.923 4.283 8.714 487 HD12 ILE 64 HD12 ILE 64 68.686 3.858 7.181 488 HD13 ILE 64 HD13 ILE 64 66.971 3.535 7.432 489 H THR 65 HN THR 65 72.009 6.583 8.497 490 HA THR 65 HA THR 65 73.237 8.581 8.909 491 HB THR 65 HB THR 65 74.509 7.424 7.175 492 HG1 THR 65 HG1 THR 65 74.230 10.201 7.097 493 HG21 THR 65 HG21 THR 65 74.097 8.085 4.770 494 HG22 THR 65 HG22 THR 65 72.603 8.852 5.307 495 HG23 THR 65 HG23 THR 65 72.816 7.111 5.492 496 H VAL 66 HN VAL 66 70.601 9.303 8.867 497 HA VAL 66 HA VAL 66 69.311 11.250 8.709 498 HB VAL 66 HB VAL 66 71.605 12.563 7.245 499 HG11 VAL 66 HG11 VAL 66 70.701 14.579 8.159 500 HG12 VAL 66 HG12 VAL 66 69.665 13.689 9.275 501 HG13 VAL 66 HG13 VAL 66 69.322 13.667 7.545 502 HG21 VAL 66 HG21 VAL 66 72.181 13.287 9.710 503 HG22 VAL 66 HG22 VAL 66 72.772 11.742 9.098 504 HG23 VAL 66 HG23 VAL 66 71.350 11.792 10.139 505 H ILE 67 HN ILE 67 71.309 10.898 5.753 506 HA ILE 67 HA ILE 67 68.770 10.746 4.190 507 HB ILE 67 HB ILE 67 71.178 12.464 3.525 508 HG12 ILE 67 HG12 ILE 67 68.281 13.246 3.953 509 HG13 ILE 67 HG11 ILE 67 69.501 13.325 5.224 510 HG21 ILE 67 HG21 ILE 67 69.666 13.140 1.574 511 HG22 ILE 67 HG22 ILE 67 68.712 11.704 1.948 512 HG23 ILE 67 HG23 ILE 67 70.401 11.540 1.466 513 HD11 ILE 67 HD11 ILE 67 69.589 14.790 2.570 514 HD12 ILE 67 HD12 ILE 67 70.869 14.822 3.783 515 HD13 ILE 67 HD13 ILE 67 69.289 15.515 4.150 516 H1U RCY 68 H1U RCY 68 73.253 0.858 1.189 517 H1S RCY 68 H1S RCY 68 71.588 4.390 2.161 518 HB1 RCY 68 HB1 RCY 68 69.799 5.485 2.483 519 HB2 RCY 68 HB2 RCY 68 69.291 6.330 3.943 520 HA RCY 68 HA RCY 68 71.651 7.561 2.721 521 HN1 RCY 68 HN1 RCY 68 69.112 8.476 3.896 522 HA PRO 69 HA PRO 69 70.414 8.111 -1.491 523 HB2 PRO 69 HB2 PRO 69 71.643 5.946 -2.680 524 HB3 PRO 69 HB1 PRO 69 72.499 7.416 -2.176 525 HG2 PRO 69 HG2 PRO 69 72.299 4.786 -0.802 526 HG3 PRO 69 HG1 PRO 69 73.681 5.885 -0.947 527 HD2 PRO 69 HD2 PRO 69 72.179 5.720 1.324 528 HD3 PRO 69 HD1 PRO 69 72.975 7.225 0.813 529 H TRP 70 HN TRP 70 69.207 5.656 0.403 530 HA TRP 70 HA TRP 70 67.863 4.117 -1.690 531 HD1 TRP 70 HD1 TRP 70 67.672 6.330 1.350 532 HE1 TRP 70 HE1 TRP 70 66.299 6.731 3.493 533 HE3 TRP 70 HE3 TRP 70 65.807 1.635 2.091 534 HZ2 TRP 70 HZ2 TRP 70 64.626 5.253 5.289 535 HZ3 TRP 70 HZ3 TRP 70 64.330 1.159 4.019 536 HH2 TRP 70 HH2 TRP 70 63.737 2.957 5.618 537 HB2 TRP 70 HB2 TRP 70 66.958 2.812 0.062 538 HB3 TRP 70 HB1 TRP 70 68.551 3.277 0.652 539 H GLU 71 HN GLU 71 67.372 7.164 -0.420 540 HA GLU 71 HA GLU 71 64.501 7.098 -1.256 541 HB2 GLU 71 HB2 GLU 71 65.702 8.233 1.266 542 HB3 GLU 71 HB1 GLU 71 64.235 8.936 0.586 543 HG2 GLU 71 HG2 GLU 71 63.117 6.758 0.670 544 HG3 GLU 71 HG1 GLU 71 64.592 6.004 1.277 545 H ALA 72 HN ALA 72 67.585 8.453 -1.513 546 HA ALA 72 HA ALA 72 66.970 11.179 -2.123 547 HB1 ALA 72 HB1 ALA 72 69.149 11.089 -3.409 548 HB2 ALA 72 HB2 ALA 72 69.214 9.365 -3.046 549 HB3 ALA 72 HB3 ALA 72 69.266 10.544 -1.736 550 H1U RCY 73 H1U RCY 73 67.676 6.672 -2.948 551 H1S RCY 73 H1S RCY 73 70.283 10.357 -4.635 552 HB1 RCY 73 HB1 RCY 73 67.598 11.628 -7.935 553 HB2 RCY 73 HB2 RCY 73 68.371 10.052 -8.095 554 HA RCY 73 HA RCY 73 66.099 10.764 -6.488 555 HN1 RCY 73 HN1 RCY 73 68.508 10.402 -4.873 556 H ASN 74 HN ASN 74 64.847 8.889 -6.287 557 HA ASN 74 HA ASN 74 65.938 6.226 -6.460 558 HB2 ASN 74 HB2 ASN 74 63.095 7.055 -7.097 559 HB3 ASN 74 HB1 ASN 74 63.654 5.482 -6.526 560 HD21 ASN 74 HD21 ASN 74 64.096 5.237 -4.254 561 HD22 ASN 74 HD22 ASN 74 63.741 6.449 -3.121 562 H HIS 75 HN HIS 75 66.812 7.964 -8.640 563 HA HIS 75 HA HIS 75 65.387 6.981 -11.028 564 HD1 HIS 75 HD1 HIS 75 64.621 8.005 -12.745 565 HD2 HIS 75 HD2 HIS 75 68.574 8.964 -13.670 566 HE1 HIS 75 HE1 HIS 75 64.753 8.134 -15.271 567 HE2 HIS 75 HE2 HIS 75 67.154 8.718 -15.847 568 HB2 HIS 75 HB2 HIS 75 66.422 9.331 -10.755 569 HB3 HIS 75 HB1 HIS 75 67.978 8.539 -11.003 570 H1U RCY 76 H1U RCY 76 71.893 -0.276 -5.461 571 H1S RCY 76 H1S RCY 76 69.727 3.142 -6.480 572 HB1 RCY 76 HB1 RCY 76 69.553 4.542 -8.250 573 HB2 RCY 76 HB2 RCY 76 70.005 2.996 -8.966 574 HA RCY 76 HA RCY 76 69.387 4.430 -10.786 575 HN1 RCY 76 HN1 RCY 76 67.325 5.454 -8.996 576 H GLU 77 HN GLU 77 67.022 4.134 -12.138 577 HA GLU 77 HA GLU 77 65.778 1.558 -11.683 578 HB2 GLU 77 HB2 GLU 77 64.863 3.630 -12.978 579 HB3 GLU 77 HB1 GLU 77 65.774 2.979 -14.341 580 HG2 GLU 77 HG2 GLU 77 64.599 0.777 -13.969 581 HG3 GLU 77 HG1 GLU 77 63.577 1.592 -12.784 582 H LEU 78 HN LEU 78 68.682 1.436 -11.838 583 HA LEU 78 HA LEU 78 69.343 0.256 -14.438 584 HG LEU 78 HG LEU 78 71.446 1.511 -14.667 585 HB2 LEU 78 HB2 LEU 78 70.827 0.620 -11.834 586 HB3 LEU 78 HB1 LEU 78 71.497 -0.366 -13.134 587 HD11 LEU 78 HD11 LEU 78 69.946 2.847 -12.411 588 HD12 LEU 78 HD12 LEU 78 69.449 2.657 -14.092 589 HD13 LEU 78 HD13 LEU 78 70.740 3.784 -13.676 590 HD21 LEU 78 HD21 LEU 78 73.442 1.511 -13.369 591 HD22 LEU 78 HD22 LEU 78 72.602 2.102 -11.936 592 HD23 LEU 78 HD23 LEU 78 72.865 3.176 -13.310 593 H HIS 79 HN HIS 79 70.042 -2.030 -14.638 594 HA HIS 79 HA HIS 79 69.476 -3.910 -12.505 595 HD1 HIS 79 HD1 HIS 79 67.082 -5.461 -11.496 596 HD2 HIS 79 HD2 HIS 79 67.685 -6.464 -15.500 597 HE1 HIS 79 HE1 HIS 79 66.712 -7.960 -11.670 598 HE2 HIS 79 HE2 HIS 79 67.076 -8.584 -14.103 599 HB2 HIS 79 HB2 HIS 79 67.162 -3.403 -13.103 600 HB3 HIS 79 HB1 HIS 79 67.507 -3.716 -14.804 601 H GLU 80 HN GLU 80 70.284 -3.201 -15.828 602 HA GLU 80 HA GLU 80 71.905 -5.671 -15.897 603 HB2 GLU 80 HB2 GLU 80 71.010 -6.335 -18.109 604 HB3 GLU 80 HB1 GLU 80 69.764 -6.384 -16.863 605 HG2 GLU 80 HG2 GLU 80 68.659 -5.242 -18.573 606 HG3 GLU 80 HG1 GLU 80 69.308 -3.905 -17.622 607 H LEU 81 HN LEU 81 71.458 -2.404 -16.635 608 HA LEU 81 HA LEU 81 73.418 -2.426 -18.857 609 HG LEU 81 HG LEU 81 71.836 -0.472 -16.315 610 HB2 LEU 81 HB2 LEU 81 73.083 0.146 -18.616 611 HB3 LEU 81 HB1 LEU 81 71.763 -0.814 -19.280 612 HD11 LEU 81 HD11 LEU 81 70.472 1.698 -16.732 613 HD12 LEU 81 HD12 LEU 81 71.275 1.726 -18.302 614 HD13 LEU 81 HD13 LEU 81 72.231 1.798 -16.822 615 HD21 LEU 81 HD21 LEU 81 69.534 -0.215 -18.261 616 HD22 LEU 81 HD22 LEU 81 69.469 -0.630 -16.548 617 HD23 LEU 81 HD23 LEU 81 70.121 -1.785 -17.711 618 H ALA 82 HN ALA 82 73.315 -2.064 -15.436 619 HA ALA 82 HA ALA 82 75.677 -0.436 -15.110 620 HB1 ALA 82 HB1 ALA 82 73.933 -0.908 -13.328 621 HB2 ALA 82 HB2 ALA 82 75.603 -1.105 -12.797 622 HB3 ALA 82 HB3 ALA 82 74.626 -2.522 -13.181 623 H GLN 83 HN GLN 83 75.496 -3.212 -16.711 624 HA GLN 83 HA GLN 83 77.599 -4.793 -15.481 625 HB2 GLN 83 HB2 GLN 83 76.346 -4.817 -18.237 626 HB3 GLN 83 HB1 GLN 83 77.586 -5.965 -17.732 627 HG2 GLN 83 HG2 GLN 83 75.120 -5.557 -16.054 628 HG3 GLN 83 HG1 GLN 83 75.082 -6.638 -17.447 629 HE21 GLN 83 HE21 GLN 83 76.058 -6.370 -14.140 630 HE22 GLN 83 HE22 GLN 83 76.880 -7.852 -14.037 631 H TYR 84 HN TYR 84 78.319 -2.017 -15.882 632 HA TYR 84 HA TYR 84 80.814 -2.457 -17.409 633 HD1 TYR 84 HD2 TYR 84 78.319 -2.751 -19.762 634 HD2 TYR 84 HD1 TYR 84 81.977 -0.500 -19.677 635 HE1 TYR 84 HE2 TYR 84 79.051 -3.861 -21.856 636 HE2 TYR 84 HE1 TYR 84 82.709 -1.611 -21.770 637 HH TYR 84 HH TYR 84 81.567 -2.742 -23.745 638 HB2 TYR 84 HB2 TYR 84 78.581 -0.769 -18.316 639 HB3 TYR 84 HB1 TYR 84 80.113 0.098 -18.241 640 H GLY 85 HN GLY 85 79.079 -1.090 -14.840 641 HA2 GLY 85 HA2 GLY 85 79.899 0.026 -12.933 642 HA3 GLY 85 HA1 GLY 85 81.512 -0.042 -13.645 643 H ILE 86 HN ILE 86 80.756 1.272 -16.133 644 HA ILE 86 HA ILE 86 80.866 4.043 -15.168 645 HB ILE 86 HB ILE 86 80.713 3.146 -18.054 646 HG12 ILE 86 HG12 ILE 86 82.494 1.951 -16.570 647 HG13 ILE 86 HG11 ILE 86 83.025 2.695 -18.079 648 HG21 ILE 86 HG21 ILE 86 81.729 5.567 -16.567 649 HG22 ILE 86 HG22 ILE 86 80.573 5.501 -17.898 650 HG23 ILE 86 HG23 ILE 86 82.284 5.200 -18.201 651 HD11 ILE 86 HD11 ILE 86 84.017 4.511 -16.989 652 HD12 ILE 86 HD12 ILE 86 84.360 3.185 -15.877 653 HD13 ILE 86 HD13 ILE 86 83.037 4.301 -15.538 654 H1U RCY 87 H1U RCY 87 78.208 0.249 -8.290 655 H1S RCY 87 H1S RCY 87 77.537 2.992 -11.618 656 HB1 RCY 87 HB1 RCY 87 74.908 3.092 -14.458 657 HB2 RCY 87 HB2 RCY 87 75.920 4.168 -13.495 658 HA RCY 87 HA RCY 87 76.311 3.197 -16.301 659 HN1 RCY 87 HN1 RCY 87 78.442 2.959 -14.464 Start of MODEL 36 1 HA MET 1 HA MET 1 60.699 -6.033 26.203 2 HB2 MET 1 HB2 MET 1 61.214 -6.924 28.545 3 HB3 MET 1 HB1 MET 1 62.425 -5.647 28.656 4 HG2 MET 1 HG2 MET 1 60.442 -4.097 27.884 5 HG3 MET 1 HG1 MET 1 59.437 -5.411 28.494 6 HE1 MET 1 HE1 MET 1 61.537 -6.430 31.076 7 HE2 MET 1 HE2 MET 1 59.867 -6.595 30.537 8 HE3 MET 1 HE3 MET 1 60.215 -5.832 32.087 9 H ASN 2 HN ASN 2 64.087 -5.255 27.072 10 HA ASN 2 HA ASN 2 63.848 -2.462 26.452 11 HB2 ASN 2 HB2 ASN 2 66.420 -2.663 26.233 12 HB3 ASN 2 HB1 ASN 2 65.703 -3.048 27.798 13 HD21 ASN 2 HD21 ASN 2 65.261 -5.452 28.189 14 HD22 ASN 2 HD22 ASN 2 66.315 -6.580 27.482 15 H LEU 3 HN LEU 3 65.656 -4.952 24.604 16 HA LEU 3 HA LEU 3 65.841 -3.378 22.238 17 HG LEU 3 HG LEU 3 65.023 -6.563 23.532 18 HB2 LEU 3 HB2 LEU 3 66.339 -5.531 21.088 19 HB3 LEU 3 HB1 LEU 3 67.268 -5.330 22.571 20 HD11 LEU 3 HD11 LEU 3 65.617 -7.984 20.934 21 HD12 LEU 3 HD12 LEU 3 64.328 -6.787 21.056 22 HD13 LEU 3 HD13 LEU 3 64.271 -8.247 22.043 23 HD21 LEU 3 HD21 LEU 3 66.417 -8.616 23.567 24 HD22 LEU 3 HD22 LEU 3 67.354 -7.190 24.010 25 HD23 LEU 3 HD23 LEU 3 67.511 -7.881 22.396 26 H GLU 4 HN GLU 4 64.425 -3.071 20.549 27 HA GLU 4 HA GLU 4 61.640 -3.617 20.935 28 HB2 GLU 4 HB2 GLU 4 63.311 -2.624 18.637 29 HB3 GLU 4 HB1 GLU 4 61.616 -3.022 18.366 30 HG2 GLU 4 HG2 GLU 4 62.518 -1.194 20.601 31 HG3 GLU 4 HG1 GLU 4 62.091 -0.596 18.997 32 HA PRO 5 HA PRO 5 61.118 -7.756 19.514 33 HB2 PRO 5 HB2 PRO 5 58.899 -7.425 17.823 34 HB3 PRO 5 HB1 PRO 5 58.836 -7.684 19.575 35 HG2 PRO 5 HG2 PRO 5 58.598 -5.169 18.028 36 HG3 PRO 5 HG1 PRO 5 57.805 -5.653 19.536 37 HD2 PRO 5 HD2 PRO 5 59.867 -3.886 19.501 38 HD3 PRO 5 HD1 PRO 5 59.615 -5.013 20.854 39 HA PRO 6 HA PRO 6 63.036 -8.283 15.580 40 HB2 PRO 6 HB2 PRO 6 61.794 -10.540 14.592 41 HB3 PRO 6 HB1 PRO 6 63.028 -10.565 15.866 42 HG2 PRO 6 HG2 PRO 6 60.069 -10.737 16.101 43 HG3 PRO 6 HG1 PRO 6 61.327 -11.592 17.008 44 HD2 PRO 6 HD2 PRO 6 59.979 -9.454 18.036 45 HD3 PRO 6 HD1 PRO 6 61.661 -9.828 18.477 46 H LYS 7 HN LYS 7 62.735 -8.052 13.271 47 HA LYS 7 HA LYS 7 60.610 -6.340 12.484 48 HB2 LYS 7 HB2 LYS 7 61.363 -6.875 10.138 49 HB3 LYS 7 HB1 LYS 7 62.662 -6.362 11.213 50 HG2 LYS 7 HG2 LYS 7 63.711 -8.249 10.478 51 HG3 LYS 7 HG1 LYS 7 62.664 -9.067 11.639 52 HD2 LYS 7 HD2 LYS 7 60.989 -9.456 9.889 53 HD3 LYS 7 HD1 LYS 7 61.988 -8.591 8.721 54 HE2 LYS 7 HE2 LYS 7 63.746 -10.251 8.905 55 HE3 LYS 7 HE1 LYS 7 62.894 -11.066 10.217 56 HZ1 LYS 7 HZ1 LYS 7 61.268 -10.731 7.886 57 HZ2 LYS 7 HZ2 LYS 7 61.595 -12.135 8.787 58 HZ3 LYS 7 HZ3 LYS 7 62.666 -11.637 7.565 59 H ALA 8 HN ALA 8 58.724 -6.747 11.240 60 HA ALA 8 HA ALA 8 57.647 -9.492 11.570 61 HB1 ALA 8 HB1 ALA 8 55.481 -8.495 11.087 62 HB2 ALA 8 HB2 ALA 8 56.247 -6.982 10.602 63 HB3 ALA 8 HB3 ALA 8 56.304 -7.499 12.287 64 H GLU 9 HN GLU 9 55.737 -8.830 9.285 65 HA GLU 9 HA GLU 9 57.481 -9.920 7.148 66 HB2 GLU 9 HB2 GLU 9 54.488 -9.475 7.041 67 HB3 GLU 9 HB1 GLU 9 55.457 -10.556 6.038 68 HG2 GLU 9 HG2 GLU 9 55.037 -10.828 9.030 69 HG3 GLU 9 HG1 GLU 9 54.274 -11.824 7.789 70 H1U RCY 10 H1U RCY 10 58.859 -12.235 -0.705 71 H1S RCY 10 H1S RCY 10 57.422 -9.437 2.096 72 HB1 RCY 10 HB1 RCY 10 57.634 -7.764 2.924 73 HB2 RCY 10 HB2 RCY 10 56.646 -6.418 2.358 74 HA RCY 10 HA RCY 10 57.126 -6.226 4.780 75 HN1 RCY 10 HN1 RCY 10 56.143 -9.000 4.889 76 H ARG 11 HN ARG 11 55.722 -4.712 5.564 77 HA ARG 11 HA ARG 11 52.806 -5.087 5.173 78 HE ARG 11 HE ARG 11 55.909 -3.968 8.844 79 HB2 ARG 11 HB2 ARG 11 54.500 -3.221 6.835 80 HB3 ARG 11 HB1 ARG 11 52.801 -2.859 6.539 81 HG2 ARG 11 HG2 ARG 11 52.650 -4.103 8.504 82 HG3 ARG 11 HG1 ARG 11 52.447 -5.367 7.290 83 HD2 ARG 11 HD2 ARG 11 54.081 -6.244 8.758 84 HD3 ARG 11 HD1 ARG 11 55.018 -5.617 7.401 85 HH11 ARG 11 HH21 ARG 11 53.134 -5.524 10.171 86 HH12 ARG 11 HH22 ARG 11 53.305 -4.792 11.732 87 HH21 ARG 11 HH11 ARG 11 56.149 -3.003 10.874 88 HH22 ARG 11 HH12 ARG 11 55.012 -3.365 12.129 89 H SER 12 HN SER 12 55.278 -3.876 3.381 90 HA SER 12 HA SER 12 55.416 -2.295 1.648 91 HG SER 12 HG SER 12 53.755 -3.839 -0.412 92 HB2 SER 12 HB2 SER 12 52.441 -2.874 1.663 93 HB3 SER 12 HB1 SER 12 53.263 -1.972 0.394 94 H ALA 13 HN ALA 13 52.179 -1.221 2.498 95 HA ALA 13 HA ALA 13 51.427 0.775 3.486 96 HB1 ALA 13 HB1 ALA 13 54.187 1.535 4.363 97 HB2 ALA 13 HB2 ALA 13 53.449 0.115 5.103 98 HB3 ALA 13 HB3 ALA 13 52.654 1.685 5.223 99 H THR 14 HN THR 14 54.314 0.741 1.500 100 HA THR 14 HA THR 14 53.299 3.038 -0.010 101 HB THR 14 HB THR 14 54.477 4.271 1.695 102 HG1 THR 14 HG1 THR 14 55.071 4.388 -0.781 103 HG21 THR 14 HG21 THR 14 56.669 2.245 1.210 104 HG22 THR 14 HG22 THR 14 55.810 2.569 2.716 105 HG23 THR 14 HG23 THR 14 56.943 3.758 2.074 106 H ARG 15 HN ARG 15 53.690 0.374 -0.782 107 HA ARG 15 HA ARG 15 54.790 -0.947 -2.386 108 HE ARG 15 HE ARG 15 55.544 -0.653 -7.779 109 HB2 ARG 15 HB2 ARG 15 54.167 1.419 -3.531 110 HB3 ARG 15 HB1 ARG 15 55.921 1.488 -3.692 111 HG2 ARG 15 HG2 ARG 15 55.715 -0.938 -4.605 112 HG3 ARG 15 HG1 ARG 15 54.009 -0.549 -4.827 113 HD2 ARG 15 HD2 ARG 15 54.839 1.566 -6.049 114 HD3 ARG 15 HD1 ARG 15 56.408 0.764 -6.106 115 HH11 ARG 15 HH21 ARG 15 53.044 0.870 -5.959 116 HH12 ARG 15 HH22 ARG 15 51.765 0.263 -6.956 117 HH21 ARG 15 HH11 ARG 15 53.889 -1.455 -9.092 118 HH22 ARG 15 HH12 ARG 15 52.243 -1.054 -8.730 119 H VAL 16 HN VAL 16 57.120 -1.046 -3.589 120 HA VAL 16 HA VAL 16 59.060 -1.575 -1.655 121 HB VAL 16 HB VAL 16 59.613 -0.567 -4.462 122 HG11 VAL 16 HG11 VAL 16 61.197 -2.213 -2.473 123 HG12 VAL 16 HG12 VAL 16 61.643 -0.658 -3.175 124 HG13 VAL 16 HG13 VAL 16 61.614 -2.104 -4.184 125 HG21 VAL 16 HG21 VAL 16 57.963 -2.464 -4.330 126 HG22 VAL 16 HG22 VAL 16 59.194 -3.411 -3.495 127 HG23 VAL 16 HG23 VAL 16 59.462 -2.888 -5.158 128 H MET 17 HN MET 17 59.879 1.051 -3.865 129 HA MET 17 HA MET 17 60.112 2.947 -1.590 130 HB2 MET 17 HB2 MET 17 62.390 1.961 -3.313 131 HB3 MET 17 HB1 MET 17 62.451 3.543 -2.535 132 HG2 MET 17 HG2 MET 17 61.874 0.983 -1.025 133 HG3 MET 17 HG1 MET 17 63.495 1.655 -1.198 134 HE1 MET 17 HE1 MET 17 63.850 4.323 1.234 135 HE2 MET 17 HE2 MET 17 64.155 4.085 -0.485 136 HE3 MET 17 HE3 MET 17 64.459 2.770 0.648 137 H GLY 18 HN GLY 18 59.922 5.111 -2.254 138 HA2 GLY 18 HA2 GLY 18 59.179 6.836 -3.664 139 HA3 GLY 18 HA1 GLY 18 60.285 6.140 -4.849 140 H GLY 19 HN GLY 19 58.390 6.983 -6.257 141 HA2 GLY 19 HA2 GLY 19 55.862 5.677 -6.279 142 HA3 GLY 19 HA1 GLY 19 56.605 6.446 -7.682 143 HA PRO 20 HA PRO 20 56.059 1.874 -8.582 144 HB2 PRO 20 HB2 PRO 20 56.273 3.183 -11.272 145 HB3 PRO 20 HB1 PRO 20 55.197 1.877 -10.738 146 HG2 PRO 20 HG2 PRO 20 54.313 4.366 -11.020 147 HG3 PRO 20 HG1 PRO 20 53.736 3.326 -9.707 148 HD2 PRO 20 HD2 PRO 20 55.597 5.652 -9.580 149 HD3 PRO 20 HD1 PRO 20 54.483 5.028 -8.344 150 H1U RCY 21 H1U RCY 21 60.340 -0.262 -2.175 151 H1S RCY 21 H1S RCY 21 60.210 -0.749 -6.195 152 HB1 RCY 21 HB1 RCY 21 60.090 1.177 -6.697 153 HB2 RCY 21 HB2 RCY 21 61.421 2.191 -7.251 154 HA RCY 21 HA RCY 21 60.564 2.349 -9.349 155 HN1 RCY 21 HN1 RCY 21 58.273 1.646 -7.692 156 H THR 22 HN THR 22 61.777 0.955 -10.661 157 HA THR 22 HA THR 22 60.857 -1.856 -10.926 158 HB THR 22 HB THR 22 59.611 -0.481 -12.607 159 HG1 THR 22 HG1 THR 22 61.220 -1.793 -14.313 160 HG21 THR 22 HG21 THR 22 60.763 0.682 -14.341 161 HG22 THR 22 HG22 THR 22 62.313 -0.020 -13.879 162 HG23 THR 22 HG23 THR 22 61.541 1.176 -12.838 163 HA PRO 23 HA PRO 23 65.206 -2.784 -10.850 164 HB2 PRO 23 HB2 PRO 23 64.475 -4.514 -13.193 165 HB3 PRO 23 HB1 PRO 23 65.449 -4.912 -11.763 166 HG2 PRO 23 HG2 PRO 23 62.893 -5.679 -12.006 167 HG3 PRO 23 HG1 PRO 23 63.611 -5.261 -10.443 168 HD2 PRO 23 HD2 PRO 23 61.590 -3.784 -12.011 169 HD3 PRO 23 HD1 PRO 23 61.991 -3.653 -10.285 170 H ARG 24 HN ARG 24 66.934 -1.761 -11.809 171 HA ARG 24 HA ARG 24 66.659 -0.902 -14.665 172 HE ARG 24 HE ARG 24 65.916 2.528 -15.052 173 HB2 ARG 24 HB2 ARG 24 66.302 1.054 -13.244 174 HB3 ARG 24 HB1 ARG 24 67.777 0.700 -12.344 175 HG2 ARG 24 HG2 ARG 24 69.166 1.222 -14.184 176 HG3 ARG 24 HG1 ARG 24 67.832 1.109 -15.332 177 HD2 ARG 24 HD2 ARG 24 67.850 3.169 -13.125 178 HD3 ARG 24 HD1 ARG 24 68.613 3.477 -14.685 179 HH11 ARG 24 HH21 ARG 24 67.839 5.226 -14.099 180 HH12 ARG 24 HH22 ARG 24 66.665 6.404 -14.585 181 HH21 ARG 24 HH11 ARG 24 64.372 4.050 -15.693 182 HH22 ARG 24 HH12 ARG 24 64.703 5.738 -15.488 183 H LYS 25 HN LYS 25 68.033 -2.525 -15.456 184 HA LYS 25 HA LYS 25 70.708 -2.839 -14.213 185 HB2 LYS 25 HB2 LYS 25 70.952 -4.685 -15.893 186 HB3 LYS 25 HB1 LYS 25 69.561 -4.895 -14.828 187 HG2 LYS 25 HG2 LYS 25 68.064 -4.011 -16.537 188 HG3 LYS 25 HG1 LYS 25 69.431 -3.658 -17.593 189 HD2 LYS 25 HD2 LYS 25 69.991 -6.161 -17.432 190 HD3 LYS 25 HD1 LYS 25 68.376 -6.360 -16.752 191 HE2 LYS 25 HE2 LYS 25 67.377 -5.364 -18.750 192 HE3 LYS 25 HE1 LYS 25 68.977 -5.059 -19.425 193 HZ1 LYS 25 HZ1 LYS 25 68.483 -7.036 -20.411 194 HZ2 LYS 25 HZ2 LYS 25 67.538 -7.591 -19.113 195 HZ3 LYS 25 HZ3 LYS 25 69.233 -7.615 -19.004 196 H GLY 26 HN GLY 26 72.430 -3.262 -16.178 197 HA2 GLY 26 HA2 GLY 26 72.156 -1.462 -18.436 198 HA3 GLY 26 HA1 GLY 26 73.198 -0.786 -17.182 199 HA PRO 27 HA PRO 27 75.257 -3.934 -20.344 200 HB2 PRO 27 HB2 PRO 27 76.914 -1.443 -20.546 201 HB3 PRO 27 HB1 PRO 27 76.526 -2.641 -21.797 202 HG2 PRO 27 HG2 PRO 27 75.282 -0.277 -21.662 203 HG3 PRO 27 HG1 PRO 27 74.459 -1.748 -22.203 204 HD2 PRO 27 HD2 PRO 27 74.103 -0.234 -19.686 205 HD3 PRO 27 HD1 PRO 27 72.997 -1.375 -20.481 206 HA PRO 28 HA PRO 28 77.723 -4.892 -16.647 207 HB2 PRO 28 HB2 PRO 28 79.157 -6.556 -18.684 208 HB3 PRO 28 HB1 PRO 28 78.569 -7.008 -17.072 209 HG2 PRO 28 HG2 PRO 28 77.281 -7.741 -19.289 210 HG3 PRO 28 HG1 PRO 28 76.414 -7.325 -17.801 211 HD2 PRO 28 HD2 PRO 28 76.644 -5.776 -20.335 212 HD3 PRO 28 HD1 PRO 28 75.350 -5.763 -19.116 213 H LYS 29 HN LYS 29 79.445 -3.707 -15.906 214 HA LYS 29 HA LYS 29 81.897 -3.379 -17.369 215 HB2 LYS 29 HB2 LYS 29 80.255 -1.796 -18.583 216 HB3 LYS 29 HB1 LYS 29 80.314 -0.817 -17.119 217 HG2 LYS 29 HG2 LYS 29 82.052 0.144 -18.315 218 HG3 LYS 29 HG1 LYS 29 82.936 -1.104 -17.435 219 HD2 LYS 29 HD2 LYS 29 82.462 -2.627 -19.451 220 HD3 LYS 29 HD1 LYS 29 82.001 -1.155 -20.307 221 HE2 LYS 29 HE2 LYS 29 84.695 -1.927 -19.204 222 HE3 LYS 29 HE1 LYS 29 84.284 -1.364 -20.824 223 HZ1 LYS 29 HZ1 LYS 29 85.369 0.370 -19.552 224 HZ2 LYS 29 HZ2 LYS 29 84.183 0.261 -18.340 225 HZ3 LYS 29 HZ3 LYS 29 83.767 0.808 -19.894 226 H1U RCY 30 H1U RCY 30 77.690 0.508 -8.236 227 H1S RCY 30 H1S RCY 30 77.050 -2.379 -11.148 228 HB1 RCY 30 HB1 RCY 30 79.228 -0.784 -12.790 229 HB2 RCY 30 HB2 RCY 30 80.097 -1.314 -11.350 230 HA RCY 30 HA RCY 30 81.644 -0.881 -13.239 231 HN1 RCY 30 HN1 RCY 30 79.739 -2.331 -14.803 232 H LYS 31 HN LYS 31 83.608 -2.117 -13.278 233 HA LYS 31 HA LYS 31 83.537 -4.788 -11.979 234 HB2 LYS 31 HB2 LYS 31 86.054 -4.685 -12.593 235 HB3 LYS 31 HB1 LYS 31 84.894 -4.842 -13.913 236 HG2 LYS 31 HG2 LYS 31 85.010 -2.477 -14.391 237 HG3 LYS 31 HG1 LYS 31 85.983 -2.185 -12.949 238 HD2 LYS 31 HD2 LYS 31 87.865 -3.314 -13.857 239 HD3 LYS 31 HD1 LYS 31 86.902 -4.054 -15.136 240 HE2 LYS 31 HE2 LYS 31 88.264 -2.150 -15.977 241 HE3 LYS 31 HE1 LYS 31 86.534 -1.864 -16.167 242 HZ1 LYS 31 HZ1 LYS 31 86.879 0.017 -15.065 243 HZ2 LYS 31 HZ2 LYS 31 88.447 -0.439 -14.595 244 HZ3 LYS 31 HZ3 LYS 31 87.106 -0.923 -13.671 245 H GLN 32 HN GLN 32 84.303 -1.501 -11.322 246 HA GLN 32 HA GLN 32 85.310 -0.457 -9.467 247 HB2 GLN 32 HB2 GLN 32 83.944 -2.875 -8.272 248 HB3 GLN 32 HB1 GLN 32 84.729 -1.649 -7.276 249 HG2 GLN 32 HG2 GLN 32 82.686 -0.903 -9.370 250 HG3 GLN 32 HG1 GLN 32 82.206 -1.352 -7.733 251 HE21 GLN 32 HE21 GLN 32 85.271 0.070 -7.602 252 HE22 GLN 32 HE22 GLN 32 84.799 1.654 -7.215 253 H ARG 33 HN ARG 33 87.537 -0.593 -9.841 254 HA ARG 33 HA ARG 33 89.088 -2.985 -9.590 255 HE ARG 33 HE ARG 33 91.344 -0.485 -13.921 256 HB2 ARG 33 HB2 ARG 33 89.759 -0.044 -9.506 257 HB3 ARG 33 HB1 ARG 33 91.003 -1.263 -9.222 258 HG2 ARG 33 HG2 ARG 33 90.494 -2.306 -11.392 259 HG3 ARG 33 HG1 ARG 33 89.226 -1.113 -11.677 260 HD2 ARG 33 HD2 ARG 33 90.763 0.648 -11.922 261 HD3 ARG 33 HD1 ARG 33 92.045 -0.231 -11.090 262 HH11 ARG 33 HH21 ARG 33 92.790 -1.885 -11.122 263 HH12 ARG 33 HH22 ARG 33 93.827 -2.940 -12.023 264 HH21 ARG 33 HH11 ARG 33 92.690 -1.854 -15.113 265 HH22 ARG 33 HH12 ARG 33 93.771 -2.923 -14.282 266 H GLN 34 HN GLN 34 91.074 -2.726 -7.831 267 HA GLN 34 HA GLN 34 90.067 -3.544 -5.357 268 HB2 GLN 34 HB2 GLN 34 92.655 -2.069 -5.931 269 HB3 GLN 34 HB1 GLN 34 92.298 -2.909 -4.422 270 HG2 GLN 34 HG2 GLN 34 92.141 -5.030 -5.547 271 HG3 GLN 34 HG1 GLN 34 92.208 -4.258 -7.131 272 HE21 GLN 34 HE21 GLN 34 94.246 -3.417 -4.313 273 HE22 GLN 34 HE22 GLN 34 95.714 -3.867 -5.038 274 H THR 35 HN THR 35 91.955 -0.636 -5.017 275 HA THR 35 HA THR 35 89.581 0.940 -4.202 276 HB THR 35 HB THR 35 90.327 1.325 -1.983 277 HG1 THR 35 HG1 THR 35 92.605 -0.158 -2.017 278 HG21 THR 35 HG21 THR 35 89.376 -0.961 -2.392 279 HG22 THR 35 HG22 THR 35 90.466 -0.890 -1.008 280 HG23 THR 35 HG23 THR 35 91.025 -1.571 -2.536 281 H ARG 36 HN ARG 36 90.209 2.223 -6.058 282 HA ARG 36 HA ARG 36 92.685 3.290 -6.691 283 HE ARG 36 HE ARG 36 91.972 5.771 -10.177 284 HB2 ARG 36 HB2 ARG 36 89.990 4.674 -6.721 285 HB3 ARG 36 HB1 ARG 36 91.433 5.325 -7.497 286 HG2 ARG 36 HG2 ARG 36 90.651 2.503 -8.115 287 HG3 ARG 36 HG1 ARG 36 89.722 3.807 -8.856 288 HD2 ARG 36 HD2 ARG 36 92.721 3.921 -8.929 289 HD3 ARG 36 HD1 ARG 36 91.870 2.879 -10.069 290 HH11 ARG 36 HH21 ARG 36 90.042 2.971 -10.744 291 HH12 ARG 36 HH22 ARG 36 89.090 3.715 -11.985 292 HH21 ARG 36 HH11 ARG 36 90.740 6.759 -11.794 293 HH22 ARG 36 HH12 ARG 36 89.485 5.860 -12.580 294 H GLN 37 HN GLN 37 90.491 4.370 -4.135 295 HA GLN 37 HA GLN 37 92.456 5.255 -2.350 296 HB2 GLN 37 HB2 GLN 37 92.158 7.075 -4.585 297 HB3 GLN 37 HB1 GLN 37 91.643 7.875 -3.104 298 HG2 GLN 37 HG2 GLN 37 93.747 7.407 -2.027 299 HG3 GLN 37 HG1 GLN 37 94.251 6.353 -3.348 300 HE21 GLN 37 HE21 GLN 37 92.523 9.220 -4.288 301 HE22 GLN 37 HE22 GLN 37 93.867 10.102 -4.833 302 H1U RCY 38 H1U RCY 38 86.535 3.253 4.129 303 H1S RCY 38 H1S RCY 38 87.303 1.866 0.031 304 HB1 RCY 38 HB1 RCY 38 87.061 4.923 -3.290 305 HB2 RCY 38 HB2 RCY 38 86.072 5.125 -1.845 306 HA RCY 38 HA RCY 38 87.985 6.453 -1.426 307 HN1 RCY 38 HN1 RCY 38 89.473 4.452 -2.957 308 H LYS 39 HN LYS 39 89.184 3.139 -0.839 309 HA LYS 39 HA LYS 39 88.142 3.009 1.851 310 HB2 LYS 39 HB2 LYS 39 90.372 1.477 0.480 311 HB3 LYS 39 HB1 LYS 39 89.781 1.110 2.100 312 HG2 LYS 39 HG2 LYS 39 87.425 1.157 0.799 313 HG3 LYS 39 HG1 LYS 39 88.468 0.674 -0.539 314 HD2 LYS 39 HD2 LYS 39 89.437 -1.079 1.083 315 HD3 LYS 39 HD1 LYS 39 88.033 -0.738 2.094 316 HE2 LYS 39 HE2 LYS 39 86.573 -1.212 0.096 317 HE3 LYS 39 HE1 LYS 39 88.019 -1.742 -0.765 318 HZ1 LYS 39 HZ1 LYS 39 87.729 -3.716 0.165 319 HZ2 LYS 39 HZ2 LYS 39 86.463 -3.143 1.144 320 HZ3 LYS 39 HZ3 LYS 39 88.073 -3.025 1.676 321 H SER 40 HN SER 40 90.365 2.252 3.386 322 HA SER 40 HA SER 40 92.051 3.181 4.723 323 HG SER 40 HG SER 40 93.352 2.402 2.553 324 HB2 SER 40 HB2 SER 40 92.669 5.149 2.532 325 HB3 SER 40 HB1 SER 40 93.772 4.351 3.650 326 H LYS 41 HN LYS 41 91.042 6.041 2.825 327 HA LYS 41 HA LYS 41 90.700 7.558 5.306 328 HB2 LYS 41 HB2 LYS 41 90.148 9.438 3.790 329 HB3 LYS 41 HB1 LYS 41 91.655 8.652 3.327 330 HG2 LYS 41 HG2 LYS 41 90.719 8.556 1.254 331 HG3 LYS 41 HG1 LYS 41 89.823 7.184 1.907 332 HD2 LYS 41 HD2 LYS 41 88.087 8.507 1.091 333 HD3 LYS 41 HD1 LYS 41 88.172 9.048 2.768 334 HE2 LYS 41 HE2 LYS 41 88.073 10.957 1.176 335 HE3 LYS 41 HE1 LYS 41 89.566 10.952 2.114 336 HZ1 LYS 41 HZ1 LYS 41 90.806 10.370 0.320 337 HZ2 LYS 41 HZ2 LYS 41 89.575 11.218 -0.486 338 HZ3 LYS 41 HZ3 LYS 41 89.547 9.520 -0.435 339 HA PRO 42 HA PRO 42 86.353 6.399 5.433 340 HB2 PRO 42 HB2 PRO 42 85.666 7.755 7.686 341 HB3 PRO 42 HB1 PRO 42 86.640 6.273 7.730 342 HG2 PRO 42 HG2 PRO 42 87.512 9.107 7.961 343 HG3 PRO 42 HG1 PRO 42 88.085 7.674 8.830 344 HD2 PRO 42 HD2 PRO 42 89.411 8.807 6.683 345 HD3 PRO 42 HD1 PRO 42 89.576 7.105 7.168 346 HA PRO 43 HA PRO 43 84.171 9.779 3.577 347 HB2 PRO 43 HB2 PRO 43 81.618 9.391 4.532 348 HB3 PRO 43 HB1 PRO 43 82.356 8.396 3.262 349 HG2 PRO 43 HG2 PRO 43 82.033 7.821 6.162 350 HG3 PRO 43 HG1 PRO 43 81.869 6.739 4.769 351 HD2 PRO 43 HD2 PRO 43 84.095 6.769 6.353 352 HD3 PRO 43 HD1 PRO 43 84.151 6.355 4.625 353 H LYS 44 HN LYS 44 82.912 11.790 4.082 354 HA LYS 44 HA LYS 44 82.691 12.543 6.919 355 HB2 LYS 44 HB2 LYS 44 85.061 13.014 6.427 356 HB3 LYS 44 HB1 LYS 44 84.582 13.995 5.042 357 HG2 LYS 44 HG2 LYS 44 83.442 15.577 6.477 358 HG3 LYS 44 HG1 LYS 44 83.701 14.550 7.888 359 HD2 LYS 44 HD2 LYS 44 86.139 14.830 7.653 360 HD3 LYS 44 HD1 LYS 44 85.887 15.853 6.238 361 HE2 LYS 44 HE2 LYS 44 86.254 17.184 8.312 362 HE3 LYS 44 HE1 LYS 44 84.673 17.487 7.592 363 HZ1 LYS 44 HZ1 LYS 44 84.804 15.320 9.522 364 HZ2 LYS 44 HZ2 LYS 44 83.606 16.502 9.290 365 HZ3 LYS 44 HZ3 LYS 44 85.021 16.880 10.152 366 H LYS 45 HN LYS 45 83.099 14.538 3.995 367 HA LYS 45 HA LYS 45 81.646 16.112 3.043 368 HB2 LYS 45 HB2 LYS 45 80.476 13.738 2.744 369 HB3 LYS 45 HB1 LYS 45 79.298 14.433 3.856 370 HG2 LYS 45 HG2 LYS 45 79.011 16.369 2.365 371 HG3 LYS 45 HG1 LYS 45 80.210 15.702 1.257 372 HD2 LYS 45 HD2 LYS 45 78.007 15.136 0.416 373 HD3 LYS 45 HD1 LYS 45 78.762 13.661 1.021 374 HE2 LYS 45 HE2 LYS 45 77.396 13.574 2.908 375 HE3 LYS 45 HE1 LYS 45 77.065 15.306 2.872 376 HZ1 LYS 45 HZ1 LYS 45 76.145 14.223 0.477 377 HZ2 LYS 45 HZ2 LYS 45 75.227 14.878 1.748 378 HZ3 LYS 45 HZ3 LYS 45 75.581 13.216 1.720 379 H GLY 46 HN GLY 46 78.731 16.138 4.220 380 HA2 GLY 46 HA2 GLY 46 78.724 16.875 6.912 381 HA3 GLY 46 HA1 GLY 46 79.236 18.326 6.051 382 H VAL 47 HN VAL 47 77.708 18.395 3.819 383 HA VAL 47 HA VAL 47 75.251 19.432 4.613 384 HB VAL 47 HB VAL 47 74.474 19.049 2.284 385 HG11 VAL 47 HG11 VAL 47 77.385 19.876 2.519 386 HG12 VAL 47 HG12 VAL 47 75.995 20.927 2.789 387 HG13 VAL 47 HG13 VAL 47 76.310 20.278 1.180 388 HG21 VAL 47 HG21 VAL 47 75.943 17.836 0.724 389 HG22 VAL 47 HG22 VAL 47 75.428 16.772 2.032 390 HG23 VAL 47 HG23 VAL 47 77.051 17.461 2.043 391 H GLN 48 HN GLN 48 76.180 16.153 4.689 392 HA GLN 48 HA GLN 48 73.613 15.358 5.763 393 HB2 GLN 48 HB2 GLN 48 73.406 15.411 3.131 394 HB3 GLN 48 HB1 GLN 48 74.296 13.891 3.228 395 HG2 GLN 48 HG2 GLN 48 71.714 14.506 4.698 396 HG3 GLN 48 HG1 GLN 48 71.852 13.501 3.255 397 HE21 GLN 48 HE21 GLN 48 71.495 13.172 6.500 398 HE22 GLN 48 HE22 GLN 48 72.345 11.725 6.754 399 H GLY 49 HN GLY 49 76.765 14.462 4.462 400 HA2 GLY 49 HA2 GLY 49 78.364 13.145 5.689 401 HA3 GLY 49 HA1 GLY 49 77.046 12.504 6.671 402 H1U RCY 50 H1U RCY 50 79.622 6.153 3.766 403 H1S RCY 50 H1S RCY 50 75.870 7.423 2.466 404 HB1 RCY 50 HB1 RCY 50 77.697 10.345 0.760 405 HB2 RCY 50 HB2 RCY 50 76.922 11.628 1.688 406 HA RCY 50 HA RCY 50 77.735 9.417 3.407 407 HN1 RCY 50 HN1 RCY 50 78.795 12.165 3.657 408 H GLY 51 HN GLY 51 79.526 11.627 1.234 409 HA2 GLY 51 HA2 GLY 51 82.053 10.262 1.791 410 HA3 GLY 51 HA1 GLY 51 81.386 9.896 0.200 411 H ASP 52 HN ASP 52 83.592 11.045 -0.272 412 HA ASP 52 HA ASP 52 83.600 13.949 -0.003 413 HB2 ASP 52 HB2 ASP 52 85.598 13.756 -1.562 414 HB3 ASP 52 HB1 ASP 52 85.740 12.856 -0.052 415 H ASP 53 HN ASP 53 81.740 12.006 -1.858 416 HA ASP 53 HA ASP 53 81.230 14.156 -3.794 417 HB2 ASP 53 HB2 ASP 53 81.557 12.766 -5.773 418 HB3 ASP 53 HB1 ASP 53 83.060 12.821 -4.850 419 H ILE 54 HN ILE 54 79.139 13.981 -4.704 420 HA ILE 54 HA ILE 54 77.417 11.900 -3.433 421 HB ILE 54 HB ILE 54 76.647 14.540 -4.706 422 HG12 ILE 54 HG12 ILE 54 76.738 13.770 -1.774 423 HG13 ILE 54 HG11 ILE 54 78.004 14.696 -2.582 424 HG21 ILE 54 HG21 ILE 54 75.081 12.492 -3.108 425 HG22 ILE 54 HG22 ILE 54 74.837 12.911 -4.803 426 HG23 ILE 54 HG23 ILE 54 74.476 14.091 -3.543 427 HD11 ILE 54 HD11 ILE 54 76.242 16.365 -3.260 428 HD12 ILE 54 HD12 ILE 54 76.505 16.269 -1.519 429 HD13 ILE 54 HD13 ILE 54 75.099 15.489 -2.243 430 HA PRO 55 HA PRO 55 77.331 10.529 -7.780 431 HB2 PRO 55 HB2 PRO 55 76.747 7.925 -7.300 432 HB3 PRO 55 HB1 PRO 55 78.380 8.585 -7.079 433 HG2 PRO 55 HG2 PRO 55 76.314 7.943 -5.044 434 HG3 PRO 55 HG1 PRO 55 78.074 7.771 -4.963 435 HD2 PRO 55 HD2 PRO 55 76.625 9.867 -3.825 436 HD3 PRO 55 HD1 PRO 55 78.363 9.911 -4.190 437 H GLY 56 HN GLY 56 74.874 10.654 -5.407 438 HA2 GLY 56 HA2 GLY 56 72.763 9.586 -7.166 439 HA3 GLY 56 HA1 GLY 56 72.529 10.221 -5.537 440 H MET 57 HN MET 57 74.448 12.420 -7.014 441 HA MET 57 HA MET 57 73.952 14.672 -7.528 442 HB2 MET 57 HB2 MET 57 72.908 14.874 -9.744 443 HB3 MET 57 HB1 MET 57 74.072 13.552 -9.725 444 HG2 MET 57 HG2 MET 57 72.332 11.906 -9.548 445 HG3 MET 57 HG1 MET 57 71.112 13.140 -9.229 446 HE1 MET 57 HE1 MET 57 70.344 11.514 -12.730 447 HE2 MET 57 HE2 MET 57 70.124 11.380 -10.986 448 HE3 MET 57 HE3 MET 57 71.561 10.696 -11.743 449 H GLU 58 HN GLU 58 72.011 13.327 -5.633 450 HA GLU 58 HA GLU 58 70.124 15.488 -5.466 451 HB2 GLU 58 HB2 GLU 58 69.127 14.281 -7.403 452 HB3 GLU 58 HB1 GLU 58 68.990 12.834 -6.406 453 HG2 GLU 58 HG2 GLU 58 67.405 13.847 -4.957 454 HG3 GLU 58 HG1 GLU 58 67.770 15.464 -5.561 455 H GLY 59 HN GLY 59 69.305 12.108 -4.815 456 HA2 GLY 59 HA2 GLY 59 70.320 12.016 -2.135 457 HA3 GLY 59 HA1 GLY 59 68.627 12.515 -2.108 458 H1U RCY 60 H1U RCY 60 75.334 10.516 -0.510 459 H1S RCY 60 H1S RCY 60 73.055 6.718 -2.397 460 HB1 RCY 60 HB1 RCY 60 70.210 6.276 -2.108 461 HB2 RCY 60 HB2 RCY 60 71.100 7.632 -1.417 462 HA RCY 60 HA RCY 60 68.753 8.019 -3.285 463 HN1 RCY 60 HN1 RCY 60 70.362 9.868 -1.618 464 H GLY 61 HN GLY 61 68.566 9.497 -0.239 465 HA2 GLY 61 HA2 GLY 61 66.177 8.716 0.661 466 HA3 GLY 61 HA1 GLY 61 67.082 7.239 0.985 467 H THR 62 HN THR 62 68.195 10.604 1.300 468 HA THR 62 HA THR 62 69.491 11.449 3.129 469 HB THR 62 HB THR 62 67.496 12.559 3.598 470 HG1 THR 62 HG1 THR 62 68.217 12.600 5.580 471 HG21 THR 62 HG21 THR 62 65.449 11.392 4.388 472 HG22 THR 62 HG22 THR 62 66.309 9.856 4.285 473 HG23 THR 62 HG23 THR 62 65.995 10.789 2.823 474 H ASP 63 HN ASP 63 67.578 9.835 5.500 475 HA ASP 63 HA ASP 63 69.885 8.658 6.747 476 HB2 ASP 63 HB2 ASP 63 66.971 7.924 7.163 477 HB3 ASP 63 HB1 ASP 63 68.300 7.634 8.286 478 H ILE 64 HN ILE 64 67.145 7.179 4.984 479 HA ILE 64 HA ILE 64 67.903 4.504 5.030 480 HB ILE 64 HB ILE 64 66.510 6.233 3.015 481 HG12 ILE 64 HG12 ILE 64 64.687 4.659 3.466 482 HG13 ILE 64 HG11 ILE 64 65.774 3.637 4.406 483 HG21 ILE 64 HG21 ILE 64 66.175 4.069 1.657 484 HG22 ILE 64 HG22 ILE 64 67.596 3.461 2.506 485 HG23 ILE 64 HG23 ILE 64 67.726 4.890 1.481 486 HD11 ILE 64 HD11 ILE 64 65.348 6.540 5.111 487 HD12 ILE 64 HD12 ILE 64 65.984 5.247 6.128 488 HD13 ILE 64 HD13 ILE 64 64.270 5.281 5.714 489 H THR 65 HN THR 65 69.220 7.097 3.000 490 HA THR 65 HA THR 65 70.860 5.498 1.318 491 HB THR 65 HB THR 65 71.389 8.288 2.389 492 HG1 THR 65 HG1 THR 65 69.873 7.222 0.289 493 HG21 THR 65 HG21 THR 65 72.687 8.437 0.190 494 HG22 THR 65 HG22 THR 65 72.587 6.678 0.131 495 HG23 THR 65 HG23 THR 65 73.426 7.469 1.465 496 H VAL 66 HN VAL 66 71.417 6.793 4.573 497 HA VAL 66 HA VAL 66 74.148 5.712 4.651 498 HB VAL 66 HB VAL 66 72.570 6.724 7.020 499 HG11 VAL 66 HG11 VAL 66 75.505 7.001 6.332 500 HG12 VAL 66 HG12 VAL 66 74.862 5.637 7.247 501 HG13 VAL 66 HG13 VAL 66 74.734 7.272 7.895 502 HG21 VAL 66 HG21 VAL 66 73.599 8.978 6.403 503 HG22 VAL 66 HG22 VAL 66 72.266 8.445 5.379 504 HG23 VAL 66 HG23 VAL 66 73.929 8.290 4.813 505 H ILE 67 HN ILE 67 71.109 5.084 6.451 506 HA ILE 67 HA ILE 67 71.995 2.239 6.730 507 HB ILE 67 HB ILE 67 70.796 3.971 8.919 508 HG12 ILE 67 HG12 ILE 67 73.225 4.330 8.471 509 HG13 ILE 67 HG11 ILE 67 72.934 3.608 10.054 510 HG21 ILE 67 HG21 ILE 67 69.930 1.683 9.014 511 HG22 ILE 67 HG22 ILE 67 71.091 1.931 10.317 512 HG23 ILE 67 HG23 ILE 67 71.565 1.036 8.873 513 HD11 ILE 67 HD11 ILE 67 74.466 2.062 9.401 514 HD12 ILE 67 HD12 ILE 67 74.291 2.475 7.696 515 HD13 ILE 67 HD13 ILE 67 73.138 1.382 8.462 516 H1U RCY 68 H1U RCY 68 72.224 -3.385 6.835 517 H1S RCY 68 H1S RCY 68 69.846 -0.439 5.427 518 HB1 RCY 68 HB1 RCY 68 68.930 1.941 3.411 519 HB2 RCY 68 HB2 RCY 68 67.274 1.352 3.519 520 HA RCY 68 HA RCY 68 67.644 2.126 5.690 521 HN1 RCY 68 HN1 RCY 68 70.487 1.271 5.414 522 HA PRO 69 HA PRO 69 66.400 -1.293 8.192 523 HB2 PRO 69 HB2 PRO 69 64.517 -1.823 5.910 524 HB3 PRO 69 HB1 PRO 69 64.189 -1.799 7.654 525 HG2 PRO 69 HG2 PRO 69 63.586 0.266 6.040 526 HG3 PRO 69 HG1 PRO 69 64.054 0.480 7.733 527 HD2 PRO 69 HD2 PRO 69 65.543 1.209 5.305 528 HD3 PRO 69 HD1 PRO 69 65.819 1.719 6.984 529 H TRP 70 HN TRP 70 66.455 -2.075 4.691 530 HA TRP 70 HA TRP 70 67.266 -4.829 5.256 531 HD1 TRP 70 HD1 TRP 70 64.863 -2.234 3.670 532 HE1 TRP 70 HE1 TRP 70 65.050 -0.160 2.152 533 HE3 TRP 70 HE3 TRP 70 69.030 -3.475 0.992 534 HZ2 TRP 70 HZ2 TRP 70 66.745 0.843 0.073 535 HZ3 TRP 70 HZ3 TRP 70 69.907 -1.947 -0.747 536 HH2 TRP 70 HH2 TRP 70 68.774 0.207 -1.211 537 HB2 TRP 70 HB2 TRP 70 67.614 -4.740 2.637 538 HB3 TRP 70 HB1 TRP 70 65.987 -4.746 3.312 539 H GLU 71 HN GLU 71 69.108 -3.168 6.452 540 HA GLU 71 HA GLU 71 71.523 -3.620 4.749 541 HB2 GLU 71 HB2 GLU 71 72.428 -1.504 5.272 542 HB3 GLU 71 HB1 GLU 71 70.738 -1.158 4.944 543 HG2 GLU 71 HG2 GLU 71 71.016 -0.031 6.958 544 HG3 GLU 71 HG1 GLU 71 70.461 -1.602 7.536 545 H ALA 72 HN ALA 72 69.927 -3.919 7.757 546 HA ALA 72 HA ALA 72 72.317 -4.250 9.390 547 HB1 ALA 72 HB1 ALA 72 69.397 -4.913 9.831 548 HB2 ALA 72 HB2 ALA 72 70.311 -3.572 10.520 549 HB3 ALA 72 HB3 ALA 72 70.644 -5.224 11.039 550 H1U RCY 73 H1U RCY 73 74.877 -4.263 3.426 551 H1S RCY 73 H1S RCY 73 72.217 -7.311 3.933 552 HB1 RCY 73 HB1 RCY 73 70.761 -9.345 5.841 553 HB2 RCY 73 HB2 RCY 73 72.242 -8.554 5.307 554 HA RCY 73 HA RCY 73 71.097 -8.741 8.001 555 HN1 RCY 73 HN1 RCY 73 71.105 -6.098 6.939 556 H ASN 74 HN ASN 74 73.753 -6.855 6.535 557 HA ASN 74 HA ASN 74 76.073 -7.278 6.532 558 HB2 ASN 74 HB2 ASN 74 75.414 -8.117 9.373 559 HB3 ASN 74 HB1 ASN 74 76.986 -7.580 8.779 560 HD21 ASN 74 HD21 ASN 74 75.886 -6.116 10.870 561 HD22 ASN 74 HD22 ASN 74 75.334 -4.612 10.308 562 H HIS 75 HN HIS 75 75.269 -9.259 5.109 563 HA HIS 75 HA HIS 75 76.905 -11.508 5.822 564 HD1 HIS 75 HD1 HIS 75 73.407 -13.705 4.597 565 HD2 HIS 75 HD2 HIS 75 76.762 -14.458 6.958 566 HE1 HIS 75 HE1 HIS 75 74.034 -16.126 4.198 567 HE2 HIS 75 HE2 HIS 75 76.075 -16.597 5.629 568 HB2 HIS 75 HB2 HIS 75 75.178 -12.062 7.416 569 HB3 HIS 75 HB1 HIS 75 73.914 -11.803 6.214 570 H1U RCY 76 H1U RCY 76 80.829 -6.137 -0.337 571 H1S RCY 76 H1S RCY 76 77.700 -8.707 0.211 572 HB1 RCY 76 HB1 RCY 76 76.315 -10.830 0.173 573 HB2 RCY 76 HB2 RCY 76 77.970 -10.835 0.778 574 HA RCY 76 HA RCY 76 75.626 -12.438 1.666 575 HN1 RCY 76 HN1 RCY 76 77.637 -11.771 3.751 576 H GLU 77 HN GLU 77 77.384 -12.842 -0.415 577 HA GLU 77 HA GLU 77 78.654 -15.338 0.352 578 HB2 GLU 77 HB2 GLU 77 78.695 -13.727 -2.218 579 HB3 GLU 77 HB1 GLU 77 79.477 -15.299 -2.040 580 HG2 GLU 77 HG2 GLU 77 77.279 -16.271 -1.363 581 HG3 GLU 77 HG1 GLU 77 76.524 -14.708 -1.680 582 H LEU 78 HN LEU 78 81.050 -15.665 -0.389 583 HA LEU 78 HA LEU 78 83.304 -15.164 -0.034 584 HG LEU 78 HG LEU 78 82.868 -14.574 -2.336 585 HB2 LEU 78 HB2 LEU 78 82.170 -12.499 -0.840 586 HB3 LEU 78 HB1 LEU 78 83.842 -12.607 -0.297 587 HD11 LEU 78 HD11 LEU 78 82.094 -12.452 -3.245 588 HD12 LEU 78 HD12 LEU 78 83.539 -12.953 -4.123 589 HD13 LEU 78 HD13 LEU 78 83.647 -11.696 -2.890 590 HD21 LEU 78 HD21 LEU 78 85.116 -14.810 -1.389 591 HD22 LEU 78 HD22 LEU 78 85.489 -13.137 -1.806 592 HD23 LEU 78 HD23 LEU 78 85.236 -14.329 -3.082 593 H HIS 79 HN HIS 79 81.425 -12.527 1.507 594 HA HIS 79 HA HIS 79 81.430 -11.736 3.692 595 HD1 HIS 79 HD1 HIS 79 84.331 -12.912 5.643 596 HD2 HIS 79 HD2 HIS 79 82.891 -16.486 4.045 597 HE1 HIS 79 HE1 HIS 79 86.204 -14.602 5.868 598 HE2 HIS 79 HE2 HIS 79 85.340 -16.782 4.899 599 HB2 HIS 79 HB2 HIS 79 81.492 -13.294 5.409 600 HB3 HIS 79 HB1 HIS 79 81.162 -14.335 4.030 601 H GLU 80 HN GLU 80 84.436 -13.101 2.473 602 HA GLU 80 HA GLU 80 86.674 -12.520 2.951 603 HB2 GLU 80 HB2 GLU 80 85.490 -9.737 3.019 604 HB3 GLU 80 HB1 GLU 80 87.101 -10.214 2.478 605 HG2 GLU 80 HG2 GLU 80 85.979 -11.603 0.681 606 HG3 GLU 80 HG1 GLU 80 84.457 -10.840 1.142 607 H LEU 81 HN LEU 81 86.623 -9.634 4.457 608 HA LEU 81 HA LEU 81 87.039 -10.904 7.116 609 HG LEU 81 HG LEU 81 90.136 -9.138 6.407 610 HB2 LEU 81 HB2 LEU 81 87.926 -8.306 5.863 611 HB3 LEU 81 HB1 LEU 81 88.003 -8.539 7.608 612 HD11 LEU 81 HD11 LEU 81 89.056 -10.269 8.578 613 HD12 LEU 81 HD12 LEU 81 90.574 -10.849 7.893 614 HD13 LEU 81 HD13 LEU 81 89.067 -11.690 7.532 615 HD21 LEU 81 HD21 LEU 81 88.646 -11.577 5.440 616 HD22 LEU 81 HD22 LEU 81 90.225 -10.981 4.931 617 HD23 LEU 81 HD23 LEU 81 88.760 -10.130 4.439 618 H ALA 82 HN ALA 82 84.494 -9.619 5.557 619 HA ALA 82 HA ALA 82 83.534 -7.631 7.405 620 HB1 ALA 82 HB1 ALA 82 81.745 -9.408 5.748 621 HB2 ALA 82 HB2 ALA 82 82.714 -8.138 5.002 622 HB3 ALA 82 HB3 ALA 82 81.497 -7.724 6.210 623 H GLN 83 HN GLN 83 83.754 -8.497 9.536 624 HA GLN 83 HA GLN 83 82.348 -11.017 10.171 625 HB2 GLN 83 HB2 GLN 83 83.510 -9.205 12.271 626 HB3 GLN 83 HB1 GLN 83 83.444 -10.966 12.228 627 HG2 GLN 83 HG2 GLN 83 85.662 -10.702 11.676 628 HG3 GLN 83 HG1 GLN 83 84.976 -10.566 10.057 629 HE21 GLN 83 HE21 GLN 83 87.463 -9.265 11.026 630 HE22 GLN 83 HE22 GLN 83 87.215 -7.593 10.866 631 H TYR 84 HN TYR 84 82.301 -7.902 11.915 632 HA TYR 84 HA TYR 84 79.396 -8.288 12.379 633 HD1 TYR 84 HD2 TYR 84 81.124 -9.577 13.935 634 HD2 TYR 84 HD1 TYR 84 78.956 -6.349 15.759 635 HE1 TYR 84 HE2 TYR 84 80.397 -11.095 15.756 636 HE2 TYR 84 HE1 TYR 84 78.228 -7.867 17.580 637 HH TYR 84 HH TYR 84 79.643 -10.834 18.174 638 HB2 TYR 84 HB2 TYR 84 81.596 -6.779 13.691 639 HB3 TYR 84 HB1 TYR 84 80.018 -5.994 13.716 640 H GLY 85 HN GLY 85 80.694 -7.404 9.768 641 HA2 GLY 85 HA2 GLY 85 79.716 -6.070 8.043 642 HA3 GLY 85 HA1 GLY 85 78.821 -5.178 9.275 643 H ILE 86 HN ILE 86 80.756 -4.258 10.956 644 HA ILE 86 HA ILE 86 82.205 -2.411 11.131 645 HB ILE 86 HB ILE 86 83.620 -3.713 8.794 646 HG12 ILE 86 HG12 ILE 86 83.168 -5.497 10.343 647 HG13 ILE 86 HG11 ILE 86 84.836 -4.996 10.624 648 HG21 ILE 86 HG21 ILE 86 85.569 -2.687 9.666 649 HG22 ILE 86 HG22 ILE 86 84.805 -2.366 11.222 650 HG23 ILE 86 HG23 ILE 86 84.328 -1.441 9.798 651 HD11 ILE 86 HD11 ILE 86 82.392 -4.398 12.288 652 HD12 ILE 86 HD12 ILE 86 83.845 -3.407 12.412 653 HD13 ILE 86 HD13 ILE 86 83.916 -5.126 12.796 654 H1U RCY 87 H1U RCY 87 77.239 -1.191 3.481 655 H1S RCY 87 H1S RCY 87 77.479 1.095 7.243 656 HB1 RCY 87 HB1 RCY 87 79.512 1.189 10.043 657 HB2 RCY 87 HB2 RCY 87 78.564 0.261 8.881 658 HA RCY 87 HA RCY 87 80.501 -0.210 7.546 659 HN1 RCY 87 HN1 RCY 87 80.734 -0.804 10.404 Start of MODEL 37 1 HA MET 1 HA MET 1 57.739 -8.789 13.967 2 HB2 MET 1 HB2 MET 1 59.820 -10.255 13.843 3 HB3 MET 1 HB1 MET 1 58.882 -10.146 12.353 4 HG2 MET 1 HG2 MET 1 60.422 -8.622 11.370 5 HG3 MET 1 HG1 MET 1 61.208 -8.301 12.916 6 HE1 MET 1 HE1 MET 1 63.882 -9.076 12.100 7 HE2 MET 1 HE2 MET 1 62.810 -8.540 10.808 8 HE3 MET 1 HE3 MET 1 63.785 -9.991 10.590 9 H ASN 2 HN ASN 2 58.773 -9.234 16.055 10 HA ASN 2 HA ASN 2 59.741 -8.466 18.049 11 HB2 ASN 2 HB2 ASN 2 61.837 -7.750 15.991 12 HB3 ASN 2 HB1 ASN 2 62.084 -7.468 17.714 13 HD21 ASN 2 HD21 ASN 2 60.282 -10.229 16.344 14 HD22 ASN 2 HD22 ASN 2 61.371 -11.416 16.881 15 H LEU 3 HN LEU 3 60.525 -6.395 19.178 16 HA LEU 3 HA LEU 3 59.928 -4.200 19.774 17 HG LEU 3 HG LEU 3 61.747 -2.898 19.571 18 HB2 LEU 3 HB2 LEU 3 61.429 -4.186 17.411 19 HB3 LEU 3 HB1 LEU 3 60.075 -3.119 17.053 20 HD11 LEU 3 HD11 LEU 3 62.725 -0.881 18.399 21 HD12 LEU 3 HD12 LEU 3 61.977 -1.463 16.912 22 HD13 LEU 3 HD13 LEU 3 63.215 -2.430 17.714 23 HD21 LEU 3 HD21 LEU 3 60.676 -0.697 19.736 24 HD22 LEU 3 HD22 LEU 3 59.443 -1.954 19.634 25 HD23 LEU 3 HD23 LEU 3 59.826 -0.976 18.217 26 H GLU 4 HN GLU 4 58.607 -2.238 18.079 27 HA GLU 4 HA GLU 4 55.869 -3.350 18.236 28 HB2 GLU 4 HB2 GLU 4 56.543 -1.090 19.235 29 HB3 GLU 4 HB1 GLU 4 56.637 -0.502 17.575 30 HG2 GLU 4 HG2 GLU 4 54.182 -1.853 18.725 31 HG3 GLU 4 HG1 GLU 4 54.406 -0.104 18.701 32 HA PRO 5 HA PRO 5 55.697 -4.364 13.876 33 HB2 PRO 5 HB2 PRO 5 52.967 -3.165 14.234 34 HB3 PRO 5 HB1 PRO 5 53.436 -4.662 13.403 35 HG2 PRO 5 HG2 PRO 5 52.395 -4.683 15.864 36 HG3 PRO 5 HG1 PRO 5 53.635 -5.843 15.361 37 HD2 PRO 5 HD2 PRO 5 53.863 -3.578 17.251 38 HD3 PRO 5 HD1 PRO 5 54.894 -5.016 17.087 39 HA PRO 6 HA PRO 6 56.359 0.001 12.644 40 HB2 PRO 6 HB2 PRO 6 58.416 -0.446 10.926 41 HB3 PRO 6 HB1 PRO 6 58.640 -0.375 12.684 42 HG2 PRO 6 HG2 PRO 6 58.552 -2.728 10.886 43 HG3 PRO 6 HG1 PRO 6 59.488 -2.468 12.365 44 HD2 PRO 6 HD2 PRO 6 57.121 -3.963 12.184 45 HD3 PRO 6 HD1 PRO 6 57.837 -3.343 13.687 46 H LYS 7 HN LYS 7 55.309 1.014 10.973 47 HA LYS 7 HA LYS 7 54.831 -0.512 8.448 48 HB2 LYS 7 HB2 LYS 7 52.521 0.245 8.408 49 HB3 LYS 7 HB1 LYS 7 52.813 -0.567 9.946 50 HG2 LYS 7 HG2 LYS 7 53.428 1.840 10.792 51 HG3 LYS 7 HG1 LYS 7 52.494 2.369 9.392 52 HD2 LYS 7 HD2 LYS 7 51.529 0.592 11.650 53 HD3 LYS 7 HD1 LYS 7 50.997 2.237 11.297 54 HE2 LYS 7 HE2 LYS 7 50.252 1.383 9.020 55 HE3 LYS 7 HE1 LYS 7 50.538 -0.247 9.630 56 HZ1 LYS 7 HZ1 LYS 7 48.340 1.477 10.107 57 HZ2 LYS 7 HZ2 LYS 7 49.076 1.045 11.576 58 HZ3 LYS 7 HZ3 LYS 7 48.523 -0.160 10.513 59 H ALA 8 HN ALA 8 55.582 2.429 10.067 60 HA ALA 8 HA ALA 8 55.513 3.917 7.466 61 HB1 ALA 8 HB1 ALA 8 55.295 5.949 8.739 62 HB2 ALA 8 HB2 ALA 8 55.611 5.101 10.252 63 HB3 ALA 8 HB3 ALA 8 54.107 4.812 9.376 64 H GLU 9 HN GLU 9 57.213 6.015 8.291 65 HA GLU 9 HA GLU 9 59.699 5.043 9.381 66 HB2 GLU 9 HB2 GLU 9 60.996 5.230 7.210 67 HB3 GLU 9 HB1 GLU 9 59.935 3.825 7.315 68 HG2 GLU 9 HG2 GLU 9 58.192 5.064 6.058 69 HG3 GLU 9 HG1 GLU 9 59.291 6.437 5.914 70 H1U RCY 10 H1U RCY 10 57.814 11.008 4.351 71 H1S RCY 10 H1S RCY 10 58.221 11.771 8.914 72 HB1 RCY 10 HB1 RCY 10 60.539 9.001 10.156 73 HB2 RCY 10 HB2 RCY 10 59.106 9.423 11.094 74 HA RCY 10 HA RCY 10 57.799 9.736 9.093 75 HN1 RCY 10 HN1 RCY 10 57.713 7.383 9.167 76 H ARG 11 HN ARG 11 57.763 9.472 6.643 77 HA ARG 11 HA ARG 11 60.341 9.976 5.299 78 HE ARG 11 HE ARG 11 60.016 7.525 0.656 79 HB2 ARG 11 HB2 ARG 11 58.302 8.525 4.457 80 HB3 ARG 11 HB1 ARG 11 57.683 10.079 3.899 81 HG2 ARG 11 HG2 ARG 11 59.850 10.462 2.708 82 HG3 ARG 11 HG1 ARG 11 60.354 8.838 3.176 83 HD2 ARG 11 HD2 ARG 11 57.714 8.741 2.014 84 HD3 ARG 11 HD1 ARG 11 58.822 9.564 0.915 85 HH11 ARG 11 HH21 ARG 11 57.709 7.429 3.216 86 HH12 ARG 11 HH22 ARG 11 57.838 5.717 3.446 87 HH21 ARG 11 HH11 ARG 11 60.198 5.291 0.942 88 HH22 ARG 11 HH12 ARG 11 59.248 4.507 2.159 89 H SER 12 HN SER 12 59.134 11.984 7.167 90 HA SER 12 HA SER 12 58.271 14.177 5.406 91 HG SER 12 HG SER 12 58.129 16.130 6.641 92 HB2 SER 12 HB2 SER 12 57.527 13.694 7.875 93 HB3 SER 12 HB1 SER 12 59.021 14.523 8.301 94 H ALA 13 HN ALA 13 59.618 15.723 4.587 95 HA ALA 13 HA ALA 13 62.483 15.648 5.449 96 HB1 ALA 13 HB1 ALA 13 61.300 16.779 2.895 97 HB2 ALA 13 HB2 ALA 13 61.987 15.161 3.041 98 HB3 ALA 13 HB3 ALA 13 63.013 16.578 3.264 99 H THR 14 HN THR 14 62.988 18.226 4.118 100 HA THR 14 HA THR 14 61.325 20.233 5.404 101 HB THR 14 HB THR 14 64.136 19.922 6.486 102 HG1 THR 14 HG1 THR 14 61.643 19.010 7.450 103 HG21 THR 14 HG21 THR 14 62.950 22.182 6.473 104 HG22 THR 14 HG22 THR 14 63.487 21.605 8.051 105 HG23 THR 14 HG23 THR 14 61.789 21.472 7.594 106 H ARG 15 HN ARG 15 64.588 19.554 4.111 107 HA ARG 15 HA ARG 15 64.211 21.612 2.066 108 HE ARG 15 HE ARG 15 66.816 22.216 7.303 109 HB2 ARG 15 HB2 ARG 15 66.447 22.725 2.843 110 HB3 ARG 15 HB1 ARG 15 64.948 23.171 3.657 111 HG2 ARG 15 HG2 ARG 15 65.424 21.802 5.533 112 HG3 ARG 15 HG1 ARG 15 66.679 20.914 4.668 113 HD2 ARG 15 HD2 ARG 15 68.197 22.716 4.772 114 HD3 ARG 15 HD1 ARG 15 66.924 23.883 5.127 115 HH11 ARG 15 HH21 ARG 15 69.342 23.852 5.622 116 HH12 ARG 15 HH22 ARG 15 70.332 24.049 7.029 117 HH21 ARG 15 HH11 ARG 15 68.094 22.464 9.151 118 HH22 ARG 15 HH12 ARG 15 69.626 23.263 9.027 119 H VAL 16 HN VAL 16 66.460 19.395 3.708 120 HA VAL 16 HA VAL 16 68.070 19.123 1.253 121 HB VAL 16 HB VAL 16 69.111 19.089 3.539 122 HG11 VAL 16 HG11 VAL 16 68.069 16.284 3.823 123 HG12 VAL 16 HG12 VAL 16 67.088 17.638 4.385 124 HG13 VAL 16 HG13 VAL 16 68.693 17.369 5.065 125 HG21 VAL 16 HG21 VAL 16 70.280 18.080 1.634 126 HG22 VAL 16 HG22 VAL 16 69.394 16.573 1.865 127 HG23 VAL 16 HG23 VAL 16 70.553 17.109 3.081 128 H MET 17 HN MET 17 67.424 17.757 -0.324 129 HA MET 17 HA MET 17 66.380 15.952 -1.394 130 HB2 MET 17 HB2 MET 17 67.867 14.940 0.798 131 HB3 MET 17 HB1 MET 17 66.327 14.083 0.823 132 HG2 MET 17 HG2 MET 17 66.602 13.441 -1.517 133 HG3 MET 17 HG1 MET 17 68.088 14.384 -1.628 134 HE1 MET 17 HE1 MET 17 70.025 11.238 -1.715 135 HE2 MET 17 HE2 MET 17 69.759 12.888 -2.274 136 HE3 MET 17 HE3 MET 17 68.568 11.639 -2.633 137 H GLY 18 HN GLY 18 64.243 16.375 -1.747 138 HA2 GLY 18 HA2 GLY 18 62.307 15.452 0.281 139 HA3 GLY 18 HA1 GLY 18 62.208 17.158 -0.157 140 H GLY 19 HN GLY 19 59.968 16.168 -0.799 141 HA2 GLY 19 HA2 GLY 19 58.644 16.184 -2.812 142 HA3 GLY 19 HA1 GLY 19 60.073 15.701 -3.726 143 HA PRO 20 HA PRO 20 57.006 12.127 -2.157 144 HB2 PRO 20 HB2 PRO 20 56.533 12.117 -5.117 145 HB3 PRO 20 HB1 PRO 20 55.411 11.741 -3.795 146 HG2 PRO 20 HG2 PRO 20 55.336 14.077 -5.093 147 HG3 PRO 20 HG1 PRO 20 54.958 13.944 -3.368 148 HD2 PRO 20 HD2 PRO 20 57.338 15.140 -4.673 149 HD3 PRO 20 HD1 PRO 20 56.657 15.455 -3.062 150 H1U RCY 21 H1U RCY 21 62.454 9.038 2.210 151 H1S RCY 21 H1S RCY 21 60.792 7.162 -0.953 152 HB1 RCY 21 HB1 RCY 21 58.813 7.515 -2.458 153 HB2 RCY 21 HB2 RCY 21 59.674 8.974 -1.967 154 HA RCY 21 HA RCY 21 59.814 9.437 -4.547 155 HN1 RCY 21 HN1 RCY 21 57.139 9.833 -3.285 156 H THR 22 HN THR 22 59.762 7.928 -6.198 157 HA THR 22 HA THR 22 57.347 6.182 -6.419 158 HB THR 22 HB THR 22 57.080 6.764 -8.754 159 HG1 THR 22 HG1 THR 22 58.463 8.203 -9.735 160 HG21 THR 22 HG21 THR 22 57.459 9.333 -7.198 161 HG22 THR 22 HG22 THR 22 56.079 8.256 -6.981 162 HG23 THR 22 HG23 THR 22 56.344 9.049 -8.534 163 HA PRO 23 HA PRO 23 61.094 3.545 -6.901 164 HB2 PRO 23 HB2 PRO 23 58.960 1.470 -6.768 165 HB3 PRO 23 HB1 PRO 23 60.479 1.585 -5.859 166 HG2 PRO 23 HG2 PRO 23 58.116 2.110 -4.731 167 HG3 PRO 23 HG1 PRO 23 59.585 2.993 -4.285 168 HD2 PRO 23 HD2 PRO 23 57.277 3.901 -5.957 169 HD3 PRO 23 HD1 PRO 23 58.324 4.841 -4.870 170 H ARG 24 HN ARG 24 61.693 3.693 -9.055 171 HA ARG 24 HA ARG 24 60.751 1.796 -10.952 172 HE ARG 24 HE ARG 24 56.412 4.098 -10.416 173 HB2 ARG 24 HB2 ARG 24 59.154 4.210 -10.762 174 HB3 ARG 24 HB1 ARG 24 59.918 4.123 -12.348 175 HG2 ARG 24 HG2 ARG 24 58.939 2.013 -12.825 176 HG3 ARG 24 HG1 ARG 24 58.500 1.745 -11.137 177 HD2 ARG 24 HD2 ARG 24 57.386 4.136 -12.565 178 HD3 ARG 24 HD1 ARG 24 56.673 2.551 -12.866 179 HH11 ARG 24 HH21 ARG 24 56.546 0.961 -11.841 180 HH12 ARG 24 HH22 ARG 24 55.623 0.206 -10.585 181 HH21 ARG 24 HH11 ARG 24 55.206 3.129 -8.768 182 HH22 ARG 24 HH12 ARG 24 54.864 1.433 -8.845 183 H LYS 25 HN LYS 25 62.780 4.197 -9.877 184 HA LYS 25 HA LYS 25 64.044 4.906 -12.408 185 HB2 LYS 25 HB2 LYS 25 65.801 5.905 -10.946 186 HB3 LYS 25 HB1 LYS 25 64.182 6.440 -10.504 187 HG2 LYS 25 HG2 LYS 25 64.884 5.840 -8.403 188 HG3 LYS 25 HG1 LYS 25 64.361 4.243 -8.939 189 HD2 LYS 25 HD2 LYS 25 66.489 3.658 -8.333 190 HD3 LYS 25 HD1 LYS 25 66.874 4.262 -9.945 191 HE2 LYS 25 HE2 LYS 25 68.407 5.358 -8.490 192 HE3 LYS 25 HE1 LYS 25 67.167 6.561 -8.845 193 HZ1 LYS 25 HZ1 LYS 25 67.289 6.700 -6.580 194 HZ2 LYS 25 HZ2 LYS 25 67.640 5.050 -6.373 195 HZ3 LYS 25 HZ3 LYS 25 66.057 5.545 -6.740 196 H GLY 26 HN GLY 26 66.108 4.127 -13.137 197 HA2 GLY 26 HA2 GLY 26 67.758 2.491 -13.478 198 HA3 GLY 26 HA1 GLY 26 67.633 2.135 -11.755 199 HA PRO 27 HA PRO 27 64.457 -0.541 -14.441 200 HB2 PRO 27 HB2 PRO 27 66.467 -1.234 -16.529 201 HB3 PRO 27 HB1 PRO 27 64.737 -0.878 -16.703 202 HG2 PRO 27 HG2 PRO 27 66.610 0.859 -17.459 203 HG3 PRO 27 HG1 PRO 27 65.074 1.390 -16.753 204 HD2 PRO 27 HD2 PRO 27 67.789 1.278 -15.488 205 HD3 PRO 27 HD1 PRO 27 66.483 2.461 -15.252 206 HA PRO 28 HA PRO 28 66.056 -4.332 -12.828 207 HB2 PRO 28 HB2 PRO 28 65.607 -5.897 -15.300 208 HB3 PRO 28 HB1 PRO 28 64.841 -6.063 -13.710 209 HG2 PRO 28 HG2 PRO 28 63.541 -5.089 -15.846 210 HG3 PRO 28 HG1 PRO 28 63.202 -4.548 -14.194 211 HD2 PRO 28 HD2 PRO 28 64.746 -3.154 -16.355 212 HD3 PRO 28 HD1 PRO 28 63.680 -2.468 -15.108 213 H LYS 29 HN LYS 29 68.135 -4.966 -12.511 214 HA LYS 29 HA LYS 29 69.930 -6.266 -14.065 215 HB2 LYS 29 HB2 LYS 29 69.913 -4.769 -15.904 216 HB3 LYS 29 HB1 LYS 29 69.936 -3.347 -14.860 217 HG2 LYS 29 HG2 LYS 29 72.211 -3.664 -14.286 218 HG3 LYS 29 HG1 LYS 29 72.211 -5.331 -14.862 219 HD2 LYS 29 HD2 LYS 29 73.287 -4.223 -16.616 220 HD3 LYS 29 HD1 LYS 29 71.614 -4.243 -17.175 221 HE2 LYS 29 HE2 LYS 29 72.384 -2.000 -17.487 222 HE3 LYS 29 HE1 LYS 29 71.348 -1.965 -16.061 223 HZ1 LYS 29 HZ1 LYS 29 73.395 -2.240 -14.709 224 HZ2 LYS 29 HZ2 LYS 29 73.328 -0.774 -15.566 225 HZ3 LYS 29 HZ3 LYS 29 74.313 -2.041 -16.122 226 H1U RCY 30 H1U RCY 30 73.592 -3.765 -5.000 227 H1S RCY 30 H1S RCY 30 71.624 -2.295 -9.077 228 HB1 RCY 30 HB1 RCY 30 71.737 -5.281 -8.588 229 HB2 RCY 30 HB2 RCY 30 70.431 -6.229 -9.296 230 HA RCY 30 HA RCY 30 72.647 -4.879 -10.865 231 HN1 RCY 30 HN1 RCY 30 70.862 -6.855 -12.114 232 H LYS 31 HN LYS 31 71.261 -7.955 -9.715 233 HA LYS 31 HA LYS 31 73.713 -9.045 -8.840 234 HB2 LYS 31 HB2 LYS 31 72.593 -11.167 -8.740 235 HB3 LYS 31 HB1 LYS 31 71.384 -9.939 -8.364 236 HG2 LYS 31 HG2 LYS 31 70.976 -9.991 -10.979 237 HG3 LYS 31 HG1 LYS 31 71.692 -11.597 -10.845 238 HD2 LYS 31 HD2 LYS 31 69.295 -10.579 -9.290 239 HD3 LYS 31 HD1 LYS 31 69.256 -11.749 -10.609 240 HE2 LYS 31 HE2 LYS 31 70.482 -12.086 -7.866 241 HE3 LYS 31 HE1 LYS 31 69.201 -13.046 -8.607 242 HZ1 LYS 31 HZ1 LYS 31 72.088 -13.056 -9.161 243 HZ2 LYS 31 HZ2 LYS 31 71.003 -13.496 -10.392 244 HZ3 LYS 31 HZ3 LYS 31 71.034 -14.365 -8.932 245 H GLN 32 HN GLN 32 74.183 -11.454 -10.089 246 HA GLN 32 HA GLN 32 75.666 -12.172 -11.785 247 HB2 GLN 32 HB2 GLN 32 74.544 -12.331 -13.971 248 HB3 GLN 32 HB1 GLN 32 73.441 -12.766 -12.669 249 HG2 GLN 32 HG2 GLN 32 72.377 -10.598 -12.747 250 HG3 GLN 32 HG1 GLN 32 73.590 -9.988 -13.872 251 HE21 GLN 32 HE21 GLN 32 72.413 -13.277 -14.266 252 HE22 GLN 32 HE22 GLN 32 71.481 -12.978 -15.653 253 H ARG 33 HN ARG 33 76.384 -9.597 -10.938 254 HA ARG 33 HA ARG 33 76.579 -7.515 -12.738 255 HE ARG 33 HE ARG 33 77.822 -5.040 -7.967 256 HB2 ARG 33 HB2 ARG 33 78.732 -8.652 -10.939 257 HB3 ARG 33 HB1 ARG 33 78.903 -7.123 -11.801 258 HG2 ARG 33 HG2 ARG 33 77.012 -6.173 -10.651 259 HG3 ARG 33 HG1 ARG 33 76.587 -7.733 -9.948 260 HD2 ARG 33 HD2 ARG 33 78.617 -7.751 -8.618 261 HD3 ARG 33 HD1 ARG 33 79.198 -6.289 -9.414 262 HH11 ARG 33 HH21 ARG 33 76.831 -8.336 -8.164 263 HH12 ARG 33 HH22 ARG 33 75.619 -8.184 -6.936 264 HH21 ARG 33 HH11 ARG 33 76.246 -4.822 -6.361 265 HH22 ARG 33 HH12 ARG 33 75.288 -6.194 -5.915 266 H GLN 34 HN GLN 34 77.994 -6.967 -14.465 267 HA GLN 34 HA GLN 34 79.596 -9.204 -15.627 268 HB2 GLN 34 HB2 GLN 34 77.868 -7.378 -17.310 269 HB3 GLN 34 HB1 GLN 34 78.676 -8.867 -17.802 270 HG2 GLN 34 HG2 GLN 34 77.218 -10.169 -16.308 271 HG3 GLN 34 HG1 GLN 34 76.420 -8.686 -15.784 272 HE21 GLN 34 HE21 GLN 34 76.291 -11.195 -18.098 273 HE22 GLN 34 HE22 GLN 34 75.203 -10.466 -19.177 274 H THR 35 HN THR 35 78.919 -5.754 -15.410 275 HA THR 35 HA THR 35 81.597 -5.169 -16.606 276 HB THR 35 HB THR 35 79.399 -3.177 -16.003 277 HG1 THR 35 HG1 THR 35 79.902 -4.670 -18.360 278 HG21 THR 35 HG21 THR 35 81.778 -3.165 -17.883 279 HG22 THR 35 HG22 THR 35 81.642 -2.257 -16.377 280 HG23 THR 35 HG23 THR 35 80.590 -1.869 -17.738 281 H ARG 36 HN ARG 36 79.474 -3.945 -13.989 282 HA ARG 36 HA ARG 36 81.368 -2.509 -12.526 283 HE ARG 36 HE ARG 36 79.648 -1.568 -8.817 284 HB2 ARG 36 HB2 ARG 36 78.995 -4.160 -11.664 285 HB3 ARG 36 HB1 ARG 36 79.985 -3.309 -10.478 286 HG2 ARG 36 HG2 ARG 36 79.146 -1.716 -12.839 287 HG3 ARG 36 HG1 ARG 36 77.859 -2.170 -11.721 288 HD2 ARG 36 HD2 ARG 36 80.451 -0.826 -10.901 289 HD3 ARG 36 HD1 ARG 36 78.916 0.013 -11.128 290 HH11 ARG 36 HH21 ARG 36 77.083 -0.635 -10.923 291 HH12 ARG 36 HH22 ARG 36 75.846 -0.847 -9.728 292 HH21 ARG 36 HH11 ARG 36 78.049 -1.850 -7.245 293 HH22 ARG 36 HH12 ARG 36 76.393 -1.535 -7.646 294 H GLN 37 HN GLN 37 80.370 -5.720 -11.389 295 HA GLN 37 HA GLN 37 81.618 -7.382 -10.294 296 HB2 GLN 37 HB2 GLN 37 83.725 -6.479 -12.282 297 HB3 GLN 37 HB1 GLN 37 83.700 -8.021 -11.425 298 HG2 GLN 37 HG2 GLN 37 81.391 -8.393 -12.477 299 HG3 GLN 37 HG1 GLN 37 81.773 -7.035 -13.535 300 HE21 GLN 37 HE21 GLN 37 81.444 -9.383 -14.875 301 HE22 GLN 37 HE22 GLN 37 82.934 -10.051 -15.338 302 H1U RCY 38 H1U RCY 38 82.381 -4.007 -2.818 303 H1S RCY 38 H1S RCY 38 81.850 -7.177 -5.473 304 HB1 RCY 38 HB1 RCY 38 83.734 -5.355 -6.822 305 HB2 RCY 38 HB2 RCY 38 85.212 -6.061 -6.167 306 HA RCY 38 HA RCY 38 85.316 -5.030 -8.548 307 HN1 RCY 38 HN1 RCY 38 84.380 -7.505 -9.737 308 H LYS 39 HN LYS 39 85.583 -8.357 -9.315 309 HA LYS 39 HA LYS 39 87.465 -9.733 -9.547 310 HB2 LYS 39 HB2 LYS 39 88.387 -7.272 -10.188 311 HB3 LYS 39 HB1 LYS 39 89.363 -7.574 -8.752 312 HG2 LYS 39 HG2 LYS 39 90.645 -8.458 -10.544 313 HG3 LYS 39 HG1 LYS 39 89.888 -9.867 -9.799 314 HD2 LYS 39 HD2 LYS 39 88.009 -8.960 -11.669 315 HD3 LYS 39 HD1 LYS 39 89.563 -8.822 -12.492 316 HE2 LYS 39 HE2 LYS 39 90.084 -11.154 -11.968 317 HE3 LYS 39 HE1 LYS 39 88.582 -11.306 -11.056 318 HZ1 LYS 39 HZ1 LYS 39 89.018 -11.316 -13.915 319 HZ2 LYS 39 HZ2 LYS 39 87.697 -10.378 -13.403 320 HZ3 LYS 39 HZ3 LYS 39 87.777 -12.027 -13.002 321 H SER 40 HN SER 40 86.476 -8.301 -6.742 322 HA SER 40 HA SER 40 88.585 -9.538 -5.046 323 HG SER 40 HG SER 40 88.315 -7.148 -5.545 324 HB2 SER 40 HB2 SER 40 86.184 -7.954 -4.113 325 HB3 SER 40 HB1 SER 40 87.679 -8.270 -3.238 326 H LYS 41 HN LYS 41 88.038 -11.144 -3.485 327 HA LYS 41 HA LYS 41 86.016 -13.013 -4.303 328 HB2 LYS 41 HB2 LYS 41 86.545 -13.783 -1.740 329 HB3 LYS 41 HB1 LYS 41 87.583 -14.185 -3.105 330 HG2 LYS 41 HG2 LYS 41 88.013 -11.538 -1.790 331 HG3 LYS 41 HG1 LYS 41 88.549 -12.975 -0.919 332 HD2 LYS 41 HD2 LYS 41 89.833 -13.691 -2.916 333 HD3 LYS 41 HD1 LYS 41 89.330 -12.220 -3.751 334 HE2 LYS 41 HE2 LYS 41 90.992 -12.380 -1.220 335 HE3 LYS 41 HE1 LYS 41 91.549 -11.869 -2.814 336 HZ1 LYS 41 HZ1 LYS 41 91.107 -9.902 -1.662 337 HZ2 LYS 41 HZ2 LYS 41 89.657 -10.494 -1.004 338 HZ3 LYS 41 HZ3 LYS 41 89.750 -10.113 -2.657 339 HA PRO 42 HA PRO 42 82.439 -11.437 -2.271 340 HB2 PRO 42 HB2 PRO 42 81.184 -13.739 -1.445 341 HB3 PRO 42 HB1 PRO 42 81.227 -13.197 -3.134 342 HG2 PRO 42 HG2 PRO 42 82.881 -15.261 -1.772 343 HG3 PRO 42 HG1 PRO 42 82.184 -15.264 -3.401 344 HD2 PRO 42 HD2 PRO 42 84.818 -14.702 -2.923 345 HD3 PRO 42 HD1 PRO 42 83.920 -14.014 -4.294 346 HA PRO 43 HA PRO 43 83.197 -11.219 2.093 347 HB2 PRO 43 HB2 PRO 43 80.738 -10.547 3.059 348 HB3 PRO 43 HB1 PRO 43 81.734 -9.426 2.109 349 HG2 PRO 43 HG2 PRO 43 79.415 -11.080 1.247 350 HG3 PRO 43 HG1 PRO 43 79.844 -9.418 0.807 351 HD2 PRO 43 HD2 PRO 43 80.338 -11.588 -0.813 352 HD3 PRO 43 HD1 PRO 43 81.300 -10.094 -0.854 353 H LYS 44 HN LYS 44 83.206 -12.576 3.881 354 HA LYS 44 HA LYS 44 81.042 -14.537 4.268 355 HB2 LYS 44 HB2 LYS 44 83.153 -15.323 2.700 356 HB3 LYS 44 HB1 LYS 44 83.725 -15.803 4.296 357 HG2 LYS 44 HG2 LYS 44 81.007 -16.531 3.163 358 HG3 LYS 44 HG1 LYS 44 82.410 -17.601 3.155 359 HD2 LYS 44 HD2 LYS 44 82.521 -17.327 5.665 360 HD3 LYS 44 HD1 LYS 44 80.975 -16.482 5.577 361 HE2 LYS 44 HE2 LYS 44 80.508 -18.799 6.072 362 HE3 LYS 44 HE1 LYS 44 80.030 -18.504 4.400 363 HZ1 LYS 44 HZ1 LYS 44 81.708 -20.463 5.246 364 HZ2 LYS 44 HZ2 LYS 44 82.776 -19.280 4.660 365 HZ3 LYS 44 HZ3 LYS 44 81.564 -19.908 3.649 366 H LYS 45 HN LYS 45 84.199 -13.279 5.276 367 HA LYS 45 HA LYS 45 83.262 -13.278 8.075 368 HB2 LYS 45 HB2 LYS 45 85.277 -15.153 7.004 369 HB3 LYS 45 HB1 LYS 45 85.829 -14.255 8.416 370 HG2 LYS 45 HG2 LYS 45 83.101 -15.525 8.417 371 HG3 LYS 45 HG1 LYS 45 84.527 -16.499 8.772 372 HD2 LYS 45 HD2 LYS 45 85.145 -15.005 10.598 373 HD3 LYS 45 HD1 LYS 45 83.806 -13.926 10.205 374 HE2 LYS 45 HE2 LYS 45 82.247 -15.889 10.600 375 HE3 LYS 45 HE1 LYS 45 83.636 -16.765 11.244 376 HZ1 LYS 45 HZ1 LYS 45 82.010 -15.010 12.605 377 HZ2 LYS 45 HZ2 LYS 45 83.465 -14.166 12.369 378 HZ3 LYS 45 HZ3 LYS 45 83.472 -15.675 13.150 379 H GLY 46 HN GLY 46 83.349 -10.962 7.546 380 HA2 GLY 46 HA2 GLY 46 84.431 -8.897 7.892 381 HA3 GLY 46 HA1 GLY 46 85.898 -9.787 8.301 382 H VAL 47 HN VAL 47 87.406 -10.235 6.662 383 HA VAL 47 HA VAL 47 88.577 -9.675 4.699 384 HB VAL 47 HB VAL 47 85.830 -10.393 3.642 385 HG11 VAL 47 HG11 VAL 47 88.439 -9.822 2.230 386 HG12 VAL 47 HG12 VAL 47 86.839 -9.169 1.876 387 HG13 VAL 47 HG13 VAL 47 87.204 -10.855 1.510 388 HG21 VAL 47 HG21 VAL 47 87.020 -12.536 3.098 389 HG22 VAL 47 HG22 VAL 47 86.935 -12.209 4.829 390 HG23 VAL 47 HG23 VAL 47 88.436 -11.918 3.950 391 H GLN 48 HN GLN 48 88.954 -7.456 5.048 392 HA GLN 48 HA GLN 48 87.257 -5.651 3.392 393 HB2 GLN 48 HB2 GLN 48 88.251 -4.898 6.156 394 HB3 GLN 48 HB1 GLN 48 87.192 -3.956 5.110 395 HG2 GLN 48 HG2 GLN 48 85.592 -4.929 6.462 396 HG3 GLN 48 HG1 GLN 48 85.716 -6.184 5.229 397 HE21 GLN 48 HE21 GLN 48 85.615 -5.841 8.518 398 HE22 GLN 48 HE22 GLN 48 86.531 -7.194 8.979 399 H GLY 49 HN GLY 49 88.799 -3.326 4.327 400 HA2 GLY 49 HA2 GLY 49 90.837 -2.239 3.891 401 HA3 GLY 49 HA1 GLY 49 91.614 -3.822 3.909 402 H1U RCY 50 H1U RCY 50 83.198 -2.588 -2.146 403 H1S RCY 50 H1S RCY 50 85.952 -5.502 -1.819 404 HB1 RCY 50 HB1 RCY 50 88.359 -3.247 -1.712 405 HB2 RCY 50 HB2 RCY 50 87.730 -3.135 -0.068 406 HA RCY 50 HA RCY 50 90.435 -4.358 -0.529 407 HN1 RCY 50 HN1 RCY 50 88.983 -3.763 1.784 408 H GLY 51 HN GLY 51 89.638 -1.180 0.808 409 HA2 GLY 51 HA2 GLY 51 90.298 0.974 0.123 410 HA3 GLY 51 HA1 GLY 51 91.839 0.185 -0.216 411 H ASP 52 HN ASP 52 88.755 1.154 -1.626 412 HA ASP 52 HA ASP 52 89.400 0.221 -4.298 413 HB2 ASP 52 HB2 ASP 52 87.070 0.754 -3.303 414 HB3 ASP 52 HB1 ASP 52 87.454 2.439 -3.658 415 H ASP 53 HN ASP 53 89.183 2.158 -6.078 416 HA ASP 53 HA ASP 53 90.644 4.578 -5.329 417 HB2 ASP 53 HB2 ASP 53 91.967 2.360 -6.897 418 HB3 ASP 53 HB1 ASP 53 92.486 4.039 -7.051 419 H ILE 54 HN ILE 54 88.111 3.848 -6.642 420 HA ILE 54 HA ILE 54 88.584 5.060 -9.343 421 HB ILE 54 HB ILE 54 86.437 3.137 -8.403 422 HG12 ILE 54 HG12 ILE 54 87.386 1.828 -10.379 423 HG13 ILE 54 HG11 ILE 54 88.709 2.995 -10.401 424 HG21 ILE 54 HG21 ILE 54 85.787 3.316 -10.909 425 HG22 ILE 54 HG22 ILE 54 86.667 4.843 -10.879 426 HG23 ILE 54 HG23 ILE 54 85.270 4.610 -9.829 427 HD11 ILE 54 HD11 ILE 54 88.149 1.943 -7.720 428 HD12 ILE 54 HD12 ILE 54 89.686 2.084 -8.573 429 HD13 ILE 54 HD13 ILE 54 88.639 0.695 -8.866 430 HA PRO 55 HA PRO 55 86.032 8.073 -6.983 431 HB2 PRO 55 HB2 PRO 55 87.434 10.297 -7.597 432 HB3 PRO 55 HB1 PRO 55 87.985 9.162 -6.348 433 HG2 PRO 55 HG2 PRO 55 88.950 9.514 -9.133 434 HG3 PRO 55 HG1 PRO 55 89.854 9.115 -7.664 435 HD2 PRO 55 HD2 PRO 55 89.023 7.271 -9.608 436 HD3 PRO 55 HD1 PRO 55 89.542 6.866 -7.957 437 H GLY 56 HN GLY 56 85.599 7.035 -9.771 438 HA2 GLY 56 HA2 GLY 56 85.042 9.392 -11.411 439 HA3 GLY 56 HA1 GLY 56 84.626 7.726 -11.818 440 H MET 57 HN MET 57 83.468 7.859 -8.838 441 HA MET 57 HA MET 57 80.735 8.409 -9.761 442 HB2 MET 57 HB2 MET 57 80.094 7.698 -7.465 443 HB3 MET 57 HB1 MET 57 81.118 6.509 -8.268 444 HG2 MET 57 HG2 MET 57 83.037 7.991 -7.096 445 HG3 MET 57 HG1 MET 57 81.728 8.275 -5.949 446 HE1 MET 57 HE1 MET 57 80.133 6.597 -5.436 447 HE2 MET 57 HE2 MET 57 81.035 6.091 -4.009 448 HE3 MET 57 HE3 MET 57 80.424 4.879 -5.133 449 H GLU 58 HN GLU 58 81.516 10.758 -10.162 450 HA GLU 58 HA GLU 58 82.112 12.578 -8.105 451 HB2 GLU 58 HB2 GLU 58 80.350 13.056 -10.529 452 HB3 GLU 58 HB1 GLU 58 81.142 14.307 -9.569 453 HG2 GLU 58 HG2 GLU 58 83.315 13.584 -10.233 454 HG3 GLU 58 HG1 GLU 58 82.689 12.074 -10.895 455 H GLY 59 HN GLY 59 79.111 10.962 -8.825 456 HA2 GLY 59 HA2 GLY 59 77.209 12.658 -7.662 457 HA3 GLY 59 HA1 GLY 59 77.108 10.898 -7.597 458 H1U RCY 60 H1U RCY 60 73.940 7.505 0.186 459 H1S RCY 60 H1S RCY 60 74.979 8.803 -3.571 460 HB1 RCY 60 HB1 RCY 60 77.169 11.702 -1.997 461 HB2 RCY 60 HB2 RCY 60 78.184 10.832 -3.147 462 HA RCY 60 HA RCY 60 77.136 13.651 -3.302 463 HN1 RCY 60 HN1 RCY 60 76.942 13.432 -5.629 464 H GLY 61 HN GLY 61 79.792 12.257 -5.124 465 HA2 GLY 61 HA2 GLY 61 82.066 12.876 -5.067 466 HA3 GLY 61 HA1 GLY 61 81.669 14.053 -3.814 467 H THR 62 HN THR 62 83.449 11.354 -4.332 468 HA THR 62 HA THR 62 83.001 10.182 -1.633 469 HB THR 62 HB THR 62 84.863 8.575 -2.601 470 HG1 THR 62 HG1 THR 62 84.545 10.293 -4.562 471 HG21 THR 62 HG21 THR 62 83.080 7.237 -3.688 472 HG22 THR 62 HG22 THR 62 82.022 8.648 -3.656 473 HG23 THR 62 HG23 THR 62 82.549 7.906 -2.145 474 H ASP 63 HN ASP 63 83.981 11.783 -0.311 475 HA ASP 63 HA ASP 63 86.580 12.900 -0.870 476 HB2 ASP 63 HB2 ASP 63 86.496 13.448 1.646 477 HB3 ASP 63 HB1 ASP 63 85.220 14.134 0.640 478 H ILE 64 HN ILE 64 85.558 9.844 0.266 479 HA ILE 64 HA ILE 64 88.352 9.216 1.117 480 HB ILE 64 HB ILE 64 85.772 8.189 2.297 481 HG12 ILE 64 HG12 ILE 64 86.478 10.400 3.120 482 HG13 ILE 64 HG11 ILE 64 86.695 9.180 4.375 483 HG21 ILE 64 HG21 ILE 64 87.334 6.345 2.145 484 HG22 ILE 64 HG22 ILE 64 87.324 6.909 3.816 485 HG23 ILE 64 HG23 ILE 64 88.652 7.353 2.743 486 HD11 ILE 64 HD11 ILE 64 89.111 8.997 3.238 487 HD12 ILE 64 HD12 ILE 64 88.766 10.184 4.496 488 HD13 ILE 64 HD13 ILE 64 88.748 10.666 2.799 489 H THR 65 HN THR 65 85.329 7.913 -0.187 490 HA THR 65 HA THR 65 85.078 6.370 -1.956 491 HB THR 65 HB THR 65 87.955 5.555 -1.884 492 HG1 THR 65 HG1 THR 65 87.366 7.793 -3.389 493 HG21 THR 65 HG21 THR 65 86.149 6.271 -4.203 494 HG22 THR 65 HG22 THR 65 86.190 4.663 -3.480 495 HG23 THR 65 HG23 THR 65 87.634 5.322 -4.248 496 H VAL 66 HN VAL 66 87.440 5.501 0.553 497 HA VAL 66 HA VAL 66 86.417 2.749 0.670 498 HB VAL 66 HB VAL 66 88.192 3.961 2.775 499 HG11 VAL 66 HG11 VAL 66 87.461 1.600 2.930 500 HG12 VAL 66 HG12 VAL 66 89.205 1.717 2.689 501 HG13 VAL 66 HG13 VAL 66 88.154 1.288 1.339 502 HG21 VAL 66 HG21 VAL 66 88.925 3.358 -0.098 503 HG22 VAL 66 HG22 VAL 66 90.125 3.356 1.195 504 HG23 VAL 66 HG23 VAL 66 89.239 4.833 0.817 505 H ILE 67 HN ILE 67 86.777 5.289 3.171 506 HA ILE 67 HA ILE 67 84.027 4.629 4.117 507 HB ILE 67 HB ILE 67 86.518 4.852 5.829 508 HG12 ILE 67 HG12 ILE 67 84.513 2.595 5.556 509 HG13 ILE 67 HG11 ILE 67 86.027 2.662 4.652 510 HG21 ILE 67 HG21 ILE 67 84.851 4.347 7.690 511 HG22 ILE 67 HG22 ILE 67 83.577 4.752 6.540 512 HG23 ILE 67 HG23 ILE 67 84.760 5.973 7.011 513 HD11 ILE 67 HD11 ILE 67 86.153 1.313 6.784 514 HD12 ILE 67 HD12 ILE 67 85.878 2.811 7.674 515 HD13 ILE 67 HD13 ILE 67 87.327 2.625 6.685 516 H1U RCY 68 H1U RCY 68 78.384 4.868 4.290 517 H1S RCY 68 H1S RCY 68 80.360 8.327 1.597 518 HB1 RCY 68 HB1 RCY 68 82.684 10.062 2.617 519 HB2 RCY 68 HB2 RCY 68 81.559 8.954 3.401 520 HA RCY 68 HA RCY 68 84.530 9.160 3.695 521 HN1 RCY 68 HN1 RCY 68 83.307 6.625 3.210 522 HA PRO 69 HA PRO 69 83.645 10.025 7.912 523 HB2 PRO 69 HB2 PRO 69 82.815 12.689 7.719 524 HB3 PRO 69 HB1 PRO 69 84.497 12.137 7.804 525 HG2 PRO 69 HG2 PRO 69 82.891 12.943 5.444 526 HG3 PRO 69 HG1 PRO 69 84.613 13.187 5.781 527 HD2 PRO 69 HD2 PRO 69 83.748 11.289 4.044 528 HD3 PRO 69 HD1 PRO 69 85.200 11.056 5.045 529 H TRP 70 HN TRP 70 81.114 11.501 5.827 530 HA TRP 70 HA TRP 70 79.101 11.419 7.859 531 HD1 TRP 70 HD1 TRP 70 76.053 10.573 6.272 532 HE1 TRP 70 HE1 TRP 70 75.207 9.167 4.285 533 HE3 TRP 70 HE3 TRP 70 79.882 11.311 2.976 534 HZ2 TRP 70 HZ2 TRP 70 76.045 8.448 1.642 535 HZ3 TRP 70 HZ3 TRP 70 79.834 10.258 0.737 536 HH2 TRP 70 HH2 TRP 70 77.924 8.829 0.064 537 HB2 TRP 70 HB2 TRP 70 77.952 12.579 6.302 538 HB3 TRP 70 HB1 TRP 70 79.309 12.350 5.205 539 H GLU 71 HN GLU 71 80.634 8.888 6.352 540 HA GLU 71 HA GLU 71 78.247 7.099 6.540 541 HB2 GLU 71 HB2 GLU 71 79.087 5.989 4.747 542 HB3 GLU 71 HB1 GLU 71 80.212 7.328 4.575 543 HG2 GLU 71 HG2 GLU 71 81.628 5.439 4.679 544 HG3 GLU 71 HG1 GLU 71 81.659 6.066 6.328 545 H ALA 72 HN ALA 72 81.108 8.009 8.152 546 HA ALA 72 HA ALA 72 81.822 5.531 9.397 547 HB1 ALA 72 HB1 ALA 72 83.170 7.706 9.334 548 HB2 ALA 72 HB2 ALA 72 83.163 6.836 10.868 549 HB3 ALA 72 HB3 ALA 72 82.142 8.259 10.656 550 H1U RCY 73 H1U RCY 73 77.014 4.225 4.891 551 H1S RCY 73 H1S RCY 73 75.291 4.763 9.029 552 HB1 RCY 73 HB1 RCY 73 76.138 5.063 11.608 553 HB2 RCY 73 HB2 RCY 73 77.040 4.568 10.176 554 HA RCY 73 HA RCY 73 77.916 6.860 11.952 555 HN1 RCY 73 HN1 RCY 73 78.901 6.016 9.467 556 H ASN 74 HN ASN 74 79.799 4.057 11.151 557 HA ASN 74 HA ASN 74 80.559 3.498 13.834 558 HB2 ASN 74 HB2 ASN 74 79.340 1.298 14.097 559 HB3 ASN 74 HB1 ASN 74 78.291 2.711 14.210 560 HD21 ASN 74 HD21 ASN 74 76.353 1.855 13.327 561 HD22 ASN 74 HD22 ASN 74 76.239 1.223 11.756 562 H HIS 75 HN HIS 75 82.028 1.604 13.887 563 HA HIS 75 HA HIS 75 83.620 1.264 11.617 564 HD1 HIS 75 HD1 HIS 75 84.707 -0.466 10.558 565 HD2 HIS 75 HD2 HIS 75 86.475 -0.670 14.331 566 HE1 HIS 75 HE1 HIS 75 87.171 -0.911 10.171 567 HE2 HIS 75 HE2 HIS 75 88.258 -1.037 12.460 568 HB2 HIS 75 HB2 HIS 75 83.802 0.303 14.123 569 HB3 HIS 75 HB1 HIS 75 83.218 -1.159 13.329 570 H1U RCY 76 H1U RCY 76 79.046 2.370 6.017 571 H1S RCY 76 H1S RCY 76 79.936 -1.185 8.571 572 HB1 RCY 76 HB1 RCY 76 80.550 -3.805 10.140 573 HB2 RCY 76 HB2 RCY 76 81.971 -3.145 10.950 574 HA RCY 76 HA RCY 76 79.894 -1.200 10.053 575 HN1 RCY 76 HN1 RCY 76 80.928 -0.830 12.678 576 H GLU 77 HN GLU 77 77.863 -1.075 10.948 577 HA GLU 77 HA GLU 77 76.976 -2.155 13.380 578 HB2 GLU 77 HB2 GLU 77 74.685 -2.278 12.122 579 HB3 GLU 77 HB1 GLU 77 75.451 -0.707 12.342 580 HG2 GLU 77 HG2 GLU 77 74.659 -1.031 10.008 581 HG3 GLU 77 HG1 GLU 77 76.410 -0.827 10.088 582 H LEU 78 HN LEU 78 75.631 -4.090 13.777 583 HA LEU 78 HA LEU 78 75.564 -6.444 13.820 584 HG LEU 78 HG LEU 78 73.386 -6.877 13.288 585 HB2 LEU 78 HB2 LEU 78 74.921 -5.624 10.994 586 HB3 LEU 78 HB1 LEU 78 74.990 -7.336 11.412 587 HD11 LEU 78 HD11 LEU 78 73.757 -4.526 13.650 588 HD12 LEU 78 HD12 LEU 78 72.101 -4.702 13.070 589 HD13 LEU 78 HD13 LEU 78 73.365 -4.149 11.972 590 HD21 LEU 78 HD21 LEU 78 72.728 -7.643 10.939 591 HD22 LEU 78 HD22 LEU 78 72.289 -5.966 10.618 592 HD23 LEU 78 HD23 LEU 78 71.451 -6.871 11.878 593 H HIS 79 HN HIS 79 76.473 -7.626 10.944 594 HA HIS 79 HA HIS 79 79.332 -7.286 10.978 595 HD1 HIS 79 HD1 HIS 79 81.000 -7.936 10.511 596 HD2 HIS 79 HD2 HIS 79 80.984 -10.965 13.379 597 HE1 HIS 79 HE1 HIS 79 83.383 -8.779 10.675 598 HE2 HIS 79 HE2 HIS 79 83.387 -10.624 12.417 599 HB2 HIS 79 HB2 HIS 79 78.795 -8.676 13.103 600 HB3 HIS 79 HB1 HIS 79 78.449 -9.993 11.985 601 H GLU 80 HN GLU 80 79.064 -10.490 10.413 602 HA GLU 80 HA GLU 80 78.841 -10.060 7.512 603 HB2 GLU 80 HB2 GLU 80 79.431 -12.477 7.371 604 HB3 GLU 80 HB1 GLU 80 80.592 -11.552 8.324 605 HG2 GLU 80 HG2 GLU 80 79.166 -12.226 10.369 606 HG3 GLU 80 HG1 GLU 80 78.443 -13.431 9.303 607 H LEU 81 HN LEU 81 76.574 -10.443 9.858 608 HA LEU 81 HA LEU 81 74.871 -12.354 8.363 609 HG LEU 81 HG LEU 81 74.869 -9.661 10.676 610 HB2 LEU 81 HB2 LEU 81 73.213 -11.786 10.229 611 HB3 LEU 81 HB1 LEU 81 74.686 -12.617 10.727 612 HD11 LEU 81 HD11 LEU 81 73.671 -9.416 12.822 613 HD12 LEU 81 HD12 LEU 81 73.185 -11.110 12.743 614 HD13 LEU 81 HD13 LEU 81 72.580 -9.963 11.548 615 HD21 LEU 81 HD21 LEU 81 76.207 -10.040 12.629 616 HD22 LEU 81 HD22 LEU 81 76.605 -11.339 11.505 617 HD23 LEU 81 HD23 LEU 81 75.524 -11.649 12.864 618 H ALA 82 HN ALA 82 75.405 -8.969 8.705 619 HA ALA 82 HA ALA 82 72.842 -7.959 7.990 620 HB1 ALA 82 HB1 ALA 82 75.063 -6.747 8.740 621 HB2 ALA 82 HB2 ALA 82 73.925 -5.909 7.689 622 HB3 ALA 82 HB3 ALA 82 75.367 -6.658 7.005 623 H GLN 83 HN GLN 83 75.115 -9.764 6.181 624 HA GLN 83 HA GLN 83 74.935 -8.912 3.559 625 HB2 GLN 83 HB2 GLN 83 76.128 -10.957 4.198 626 HB3 GLN 83 HB1 GLN 83 74.598 -11.757 4.548 627 HG2 GLN 83 HG2 GLN 83 73.959 -11.788 2.270 628 HG3 GLN 83 HG1 GLN 83 75.160 -10.573 1.829 629 HE21 GLN 83 HE21 GLN 83 75.962 -13.256 3.997 630 HE22 GLN 83 HE22 GLN 83 76.980 -14.066 2.905 631 H TYR 84 HN TYR 84 72.333 -10.042 5.550 632 HA TYR 84 HA TYR 84 70.517 -10.784 3.442 633 HD1 TYR 84 HD2 TYR 84 71.567 -12.333 6.568 634 HD2 TYR 84 HD1 TYR 84 67.904 -12.093 4.337 635 HE1 TYR 84 HE2 TYR 84 71.421 -14.808 6.541 636 HE2 TYR 84 HE1 TYR 84 67.759 -14.569 4.310 637 HH TYR 84 HH TYR 84 69.712 -16.526 4.522 638 HB2 TYR 84 HB2 TYR 84 70.340 -10.225 6.370 639 HB3 TYR 84 HB1 TYR 84 68.839 -10.128 5.455 640 H GLY 85 HN GLY 85 68.294 -9.030 4.489 641 HA2 GLY 85 HA2 GLY 85 68.244 -7.090 2.478 642 HA3 GLY 85 HA1 GLY 85 67.325 -6.958 3.975 643 H ILE 86 HN ILE 86 68.985 -6.387 5.926 644 HA ILE 86 HA ILE 86 69.900 -3.734 5.327 645 HB ILE 86 HB ILE 86 70.864 -3.758 7.633 646 HG12 ILE 86 HG12 ILE 86 71.509 -6.198 7.535 647 HG13 ILE 86 HG11 ILE 86 70.653 -5.740 9.008 648 HG21 ILE 86 HG21 ILE 86 68.706 -4.057 8.786 649 HG22 ILE 86 HG22 ILE 86 68.075 -4.930 7.389 650 HG23 ILE 86 HG23 ILE 86 68.480 -3.219 7.251 651 HD11 ILE 86 HD11 ILE 86 68.552 -6.400 7.419 652 HD12 ILE 86 HD12 ILE 86 69.352 -7.546 8.494 653 HD13 ILE 86 HD13 ILE 86 69.780 -7.495 6.784 654 H1U RCY 87 H1U RCY 87 76.775 -1.970 -3.170 655 H1S RCY 87 H1S RCY 87 74.594 -4.476 -0.697 656 HB1 RCY 87 HB1 RCY 87 72.821 -4.317 1.643 657 HB2 RCY 87 HB2 RCY 87 72.719 -6.077 1.646 658 HA RCY 87 HA RCY 87 73.688 -6.171 3.881 659 HN1 RCY 87 HN1 RCY 87 71.172 -4.983 3.424 Start of MODEL 38 1 HA MET 1 HA MET 1 77.830 -17.622 -8.791 2 HB2 MET 1 HB2 MET 1 77.996 -18.700 -11.609 3 HB3 MET 1 HB1 MET 1 76.590 -17.790 -11.054 4 HG2 MET 1 HG2 MET 1 78.276 -16.325 -12.148 5 HG3 MET 1 HG1 MET 1 78.017 -15.891 -10.458 6 HE1 MET 1 HE1 MET 1 81.557 -17.952 -12.434 7 HE2 MET 1 HE2 MET 1 80.827 -16.472 -13.053 8 HE3 MET 1 HE3 MET 1 79.859 -17.939 -12.929 9 H ASN 2 HN ASN 2 76.118 -19.543 -10.962 10 HA ASN 2 HA ASN 2 75.372 -21.660 -9.084 11 HB2 ASN 2 HB2 ASN 2 73.513 -19.343 -9.667 12 HB3 ASN 2 HB1 ASN 2 72.937 -20.903 -9.078 13 HD21 ASN 2 HD21 ASN 2 74.845 -18.042 -8.198 14 HD22 ASN 2 HD22 ASN 2 74.913 -18.385 -6.537 15 H LEU 3 HN LEU 3 75.000 -19.984 -12.133 16 HA LEU 3 HA LEU 3 74.301 -20.752 -14.239 17 HG LEU 3 HG LEU 3 76.732 -22.030 -12.523 18 HB2 LEU 3 HB2 LEU 3 74.871 -23.517 -13.149 19 HB3 LEU 3 HB1 LEU 3 74.987 -22.965 -14.821 20 HD11 LEU 3 HD11 LEU 3 77.147 -24.359 -13.411 21 HD12 LEU 3 HD12 LEU 3 78.506 -23.253 -13.612 22 HD13 LEU 3 HD13 LEU 3 77.468 -23.634 -14.986 23 HD21 LEU 3 HD21 LEU 3 76.507 -21.234 -15.427 24 HD22 LEU 3 HD22 LEU 3 78.011 -21.012 -14.533 25 HD23 LEU 3 HD23 LEU 3 76.541 -20.192 -14.005 26 H GLU 4 HN GLU 4 72.126 -20.155 -12.872 27 HA GLU 4 HA GLU 4 70.303 -22.489 -13.285 28 HB2 GLU 4 HB2 GLU 4 68.967 -21.716 -11.363 29 HB3 GLU 4 HB1 GLU 4 70.618 -22.090 -10.870 30 HG2 GLU 4 HG2 GLU 4 70.299 -20.013 -9.856 31 HG3 GLU 4 HG1 GLU 4 71.042 -19.542 -11.386 32 HA PRO 5 HA PRO 5 68.173 -19.956 -16.253 33 HB2 PRO 5 HB2 PRO 5 65.749 -20.933 -14.777 34 HB3 PRO 5 HB1 PRO 5 66.062 -20.895 -16.523 35 HG2 PRO 5 HG2 PRO 5 66.276 -23.145 -15.087 36 HG3 PRO 5 HG1 PRO 5 67.318 -22.807 -16.477 37 HD2 PRO 5 HD2 PRO 5 68.009 -22.856 -13.603 38 HD3 PRO 5 HD1 PRO 5 69.071 -23.003 -15.019 39 HA PRO 6 HA PRO 6 67.207 -16.208 -14.063 40 HB2 PRO 6 HB2 PRO 6 65.576 -14.952 -15.872 41 HB3 PRO 6 HB1 PRO 6 67.331 -15.103 -16.087 42 HG2 PRO 6 HG2 PRO 6 65.137 -16.697 -17.310 43 HG3 PRO 6 HG1 PRO 6 66.647 -16.114 -18.030 44 HD2 PRO 6 HD2 PRO 6 66.302 -18.699 -17.188 45 HD3 PRO 6 HD1 PRO 6 67.884 -17.888 -17.206 46 H LYS 7 HN LYS 7 65.340 -14.947 -13.149 47 HA LYS 7 HA LYS 7 62.810 -16.539 -13.021 48 HB2 LYS 7 HB2 LYS 7 62.780 -15.688 -10.542 49 HB3 LYS 7 HB1 LYS 7 63.758 -17.096 -10.952 50 HG2 LYS 7 HG2 LYS 7 65.755 -15.696 -11.143 51 HG3 LYS 7 HG1 LYS 7 64.797 -14.249 -10.830 52 HD2 LYS 7 HD2 LYS 7 64.368 -14.882 -8.586 53 HD3 LYS 7 HD1 LYS 7 64.867 -16.549 -8.875 54 HE2 LYS 7 HE2 LYS 7 67.190 -15.720 -9.318 55 HE3 LYS 7 HE1 LYS 7 66.658 -14.103 -8.858 56 HZ1 LYS 7 HZ1 LYS 7 67.400 -16.266 -7.197 57 HZ2 LYS 7 HZ2 LYS 7 65.798 -15.811 -6.860 58 HZ3 LYS 7 HZ3 LYS 7 67.047 -14.663 -6.766 59 H ALA 8 HN ALA 8 63.508 -14.124 -14.560 60 HA ALA 8 HA ALA 8 62.462 -12.098 -15.108 61 HB1 ALA 8 HB1 ALA 8 60.433 -13.590 -14.315 62 HB2 ALA 8 HB2 ALA 8 60.216 -11.856 -14.538 63 HB3 ALA 8 HB3 ALA 8 60.449 -12.513 -12.919 64 H GLU 9 HN GLU 9 61.865 -12.362 -11.586 65 HA GLU 9 HA GLU 9 62.742 -11.074 -9.822 66 HB2 GLU 9 HB2 GLU 9 64.848 -11.135 -11.470 67 HB3 GLU 9 HB1 GLU 9 64.438 -9.431 -11.665 68 HG2 GLU 9 HG2 GLU 9 64.399 -9.265 -9.129 69 HG3 GLU 9 HG1 GLU 9 65.099 -10.884 -9.092 70 H1U RCY 10 H1U RCY 10 60.065 -7.674 -8.039 71 H1S RCY 10 H1S RCY 10 59.685 -5.394 -11.529 72 HB1 RCY 10 HB1 RCY 10 58.662 -8.836 -13.166 73 HB2 RCY 10 HB2 RCY 10 60.247 -8.330 -13.750 74 HA RCY 10 HA RCY 10 60.593 -7.326 -11.400 75 HN1 RCY 10 HN1 RCY 10 60.591 -10.269 -11.894 76 H ARG 11 HN ARG 11 57.695 -7.140 -11.719 77 HA ARG 11 HA ARG 11 56.819 -7.167 -9.079 78 HE ARG 11 HE ARG 11 52.869 -7.702 -10.959 79 HB2 ARG 11 HB2 ARG 11 54.478 -7.384 -10.047 80 HB3 ARG 11 HB1 ARG 11 55.455 -6.082 -10.718 81 HG2 ARG 11 HG2 ARG 11 54.755 -7.014 -12.703 82 HG3 ARG 11 HG1 ARG 11 56.157 -8.047 -12.422 83 HD2 ARG 11 HD2 ARG 11 54.090 -9.344 -12.974 84 HD3 ARG 11 HD1 ARG 11 54.754 -9.750 -11.391 85 HH11 ARG 11 HH21 ARG 11 53.027 -10.909 -12.215 86 HH12 ARG 11 HH22 ARG 11 51.410 -11.316 -11.744 87 HH21 ARG 11 HH11 ARG 11 50.757 -8.215 -10.337 88 HH22 ARG 11 HH12 ARG 11 50.125 -9.790 -10.681 89 H SER 12 HN SER 12 55.348 -8.652 -7.940 90 HA SER 12 HA SER 12 54.686 -11.265 -8.735 91 HG SER 12 HG SER 12 56.362 -13.447 -7.451 92 HB2 SER 12 HB2 SER 12 56.851 -12.063 -8.955 93 HB3 SER 12 HB1 SER 12 57.496 -10.943 -7.759 94 H ALA 13 HN ALA 13 56.054 -9.434 -5.999 95 HA ALA 13 HA ALA 13 53.638 -10.018 -4.426 96 HB1 ALA 13 HB1 ALA 13 55.041 -11.989 -3.957 97 HB2 ALA 13 HB2 ALA 13 54.908 -10.969 -2.524 98 HB3 ALA 13 HB3 ALA 13 56.379 -10.935 -3.497 99 H THR 14 HN THR 14 54.640 -7.589 -5.442 100 HA THR 14 HA THR 14 54.984 -6.104 -2.927 101 HB THR 14 HB THR 14 57.017 -5.653 -5.115 102 HG1 THR 14 HG1 THR 14 57.349 -7.736 -4.396 103 HG21 THR 14 HG21 THR 14 58.161 -4.384 -3.470 104 HG22 THR 14 HG22 THR 14 57.212 -5.081 -2.158 105 HG23 THR 14 HG23 THR 14 56.464 -3.941 -3.277 106 H ARG 15 HN ARG 15 52.793 -6.062 -4.576 107 HA ARG 15 HA ARG 15 52.697 -4.312 -6.744 108 HE ARG 15 HE ARG 15 49.673 -6.484 -2.217 109 HB2 ARG 15 HB2 ARG 15 50.374 -3.641 -5.674 110 HB3 ARG 15 HB1 ARG 15 50.634 -5.283 -6.263 111 HG2 ARG 15 HG2 ARG 15 51.151 -6.065 -4.023 112 HG3 ARG 15 HG1 ARG 15 51.085 -4.419 -3.392 113 HD2 ARG 15 HD2 ARG 15 48.746 -4.273 -3.687 114 HD3 ARG 15 HD1 ARG 15 48.713 -5.644 -4.795 115 HH11 ARG 15 HH21 ARG 15 46.873 -5.491 -3.967 116 HH12 ARG 15 HH22 ARG 15 45.773 -6.397 -2.982 117 HH21 ARG 15 HH11 ARG 15 48.253 -7.673 -0.921 118 HH22 ARG 15 HH12 ARG 15 46.554 -7.632 -1.258 119 H VAL 16 HN VAL 16 52.450 -3.407 -3.288 120 HA VAL 16 HA VAL 16 53.750 -0.836 -3.897 121 HB VAL 16 HB VAL 16 50.929 -0.991 -2.787 122 HG11 VAL 16 HG11 VAL 16 51.174 1.544 -2.784 123 HG12 VAL 16 HG12 VAL 16 52.907 1.292 -2.991 124 HG13 VAL 16 HG13 VAL 16 52.095 0.695 -1.543 125 HG21 VAL 16 HG21 VAL 16 50.544 0.587 -4.766 126 HG22 VAL 16 HG22 VAL 16 50.866 -1.098 -5.176 127 HG23 VAL 16 HG23 VAL 16 52.144 0.107 -5.332 128 H MET 17 HN MET 17 54.801 -0.016 -2.070 129 HA MET 17 HA MET 17 55.318 -1.809 0.095 130 HB2 MET 17 HB2 MET 17 56.412 0.185 1.161 131 HB3 MET 17 HB1 MET 17 56.946 -0.111 -0.492 132 HG2 MET 17 HG2 MET 17 54.654 1.545 -0.680 133 HG3 MET 17 HG1 MET 17 55.667 2.236 0.589 134 HE1 MET 17 HE1 MET 17 57.984 2.506 0.521 135 HE2 MET 17 HE2 MET 17 58.917 3.096 -0.852 136 HE3 MET 17 HE3 MET 17 58.781 1.363 -0.567 137 H GLY 18 HN GLY 18 54.736 1.171 1.527 138 HA2 GLY 18 HA2 GLY 18 51.963 0.505 2.341 139 HA3 GLY 18 HA1 GLY 18 53.186 0.606 3.609 140 H GLY 19 HN GLY 19 50.763 2.353 2.647 141 HA2 GLY 19 HA2 GLY 19 50.252 4.642 2.718 142 HA3 GLY 19 HA1 GLY 19 51.774 4.849 3.588 143 HA PRO 20 HA PRO 20 51.967 6.449 -0.914 144 HB2 PRO 20 HB2 PRO 20 51.801 9.143 -0.395 145 HB3 PRO 20 HB1 PRO 20 50.395 8.130 -0.774 146 HG2 PRO 20 HG2 PRO 20 51.368 9.101 1.863 147 HG3 PRO 20 HG1 PRO 20 49.710 8.932 1.260 148 HD2 PRO 20 HD2 PRO 20 50.862 7.128 2.970 149 HD3 PRO 20 HD1 PRO 20 49.599 6.684 1.800 150 H1U RCY 21 H1U RCY 21 59.977 2.343 -0.645 151 H1S RCY 21 H1S RCY 21 58.122 5.766 -2.526 152 HB1 RCY 21 HB1 RCY 21 56.255 7.073 -2.451 153 HB2 RCY 21 HB2 RCY 21 56.326 6.243 -0.897 154 HA RCY 21 HA RCY 21 55.907 8.396 0.258 155 HN1 RCY 21 HN1 RCY 21 53.730 7.981 -1.738 156 H THR 22 HN THR 22 56.508 10.492 0.124 157 HA THR 22 HA THR 22 56.064 11.955 -2.439 158 HB THR 22 HB THR 22 56.447 13.986 -0.923 159 HG1 THR 22 HG1 THR 22 57.281 12.300 0.724 160 HG21 THR 22 HG21 THR 22 54.132 12.077 -0.566 161 HG22 THR 22 HG22 THR 22 54.217 13.500 -1.605 162 HG23 THR 22 HG23 THR 22 54.143 13.690 0.147 163 HA PRO 23 HA PRO 23 60.562 11.294 -2.910 164 HB2 PRO 23 HB2 PRO 23 60.026 13.288 -5.078 165 HB3 PRO 23 HB1 PRO 23 60.936 11.766 -5.144 166 HG2 PRO 23 HG2 PRO 23 58.482 11.959 -6.154 167 HG3 PRO 23 HG1 PRO 23 59.033 10.485 -5.341 168 HD2 PRO 23 HD2 PRO 23 57.132 12.572 -4.366 169 HD3 PRO 23 HD1 PRO 23 57.187 10.834 -3.998 170 H ARG 24 HN ARG 24 62.036 13.508 -4.001 171 HA ARG 24 HA ARG 24 62.983 15.578 -3.410 172 HE ARG 24 HE ARG 24 59.127 18.632 -2.240 173 HB2 ARG 24 HB2 ARG 24 60.394 16.072 -2.902 174 HB3 ARG 24 HB1 ARG 24 60.984 16.070 -1.240 175 HG2 ARG 24 HG2 ARG 24 62.893 17.601 -2.284 176 HG3 ARG 24 HG1 ARG 24 61.645 17.935 -3.485 177 HD2 ARG 24 HD2 ARG 24 61.544 18.423 -0.505 178 HD3 ARG 24 HD1 ARG 24 61.337 19.593 -1.809 179 HH11 ARG 24 HH21 ARG 24 60.854 17.444 0.497 180 HH12 ARG 24 HH22 ARG 24 59.448 16.786 1.266 181 HH21 ARG 24 HH11 ARG 24 57.281 17.780 -1.252 182 HH22 ARG 24 HH12 ARG 24 57.425 16.977 0.276 183 H LYS 25 HN LYS 25 63.012 16.634 -0.680 184 HA LYS 25 HA LYS 25 64.360 16.377 1.193 185 HB2 LYS 25 HB2 LYS 25 62.314 14.591 1.365 186 HB3 LYS 25 HB1 LYS 25 63.686 13.488 1.441 187 HG2 LYS 25 HG2 LYS 25 63.157 15.862 3.249 188 HG3 LYS 25 HG1 LYS 25 63.148 14.158 3.705 189 HD2 LYS 25 HD2 LYS 25 65.554 14.007 3.095 190 HD3 LYS 25 HD1 LYS 25 65.550 15.733 2.729 191 HE2 LYS 25 HE2 LYS 25 66.390 15.454 4.982 192 HE3 LYS 25 HE1 LYS 25 64.777 16.158 5.086 193 HZ1 LYS 25 HZ1 LYS 25 65.131 14.302 6.642 194 HZ2 LYS 25 HZ2 LYS 25 65.366 13.258 5.323 195 HZ3 LYS 25 HZ3 LYS 25 63.861 14.011 5.556 196 H GLY 26 HN GLY 26 65.843 16.186 -1.096 197 HA2 GLY 26 HA2 GLY 26 67.304 13.768 -1.464 198 HA3 GLY 26 HA1 GLY 26 67.887 15.372 -1.912 199 HA PRO 27 HA PRO 27 69.756 13.325 2.204 200 HB2 PRO 27 HB2 PRO 27 72.007 12.816 0.294 201 HB3 PRO 27 HB1 PRO 27 71.463 11.846 1.676 202 HG2 PRO 27 HG2 PRO 27 70.911 11.148 -0.841 203 HG3 PRO 27 HG1 PRO 27 69.780 10.847 0.487 204 HD2 PRO 27 HD2 PRO 27 69.603 12.843 -1.709 205 HD3 PRO 27 HD1 PRO 27 68.303 12.088 -0.762 206 HA PRO 28 HA PRO 28 71.906 17.058 3.227 207 HB2 PRO 28 HB2 PRO 28 74.329 15.329 3.635 208 HB3 PRO 28 HB1 PRO 28 73.664 16.597 4.685 209 HG2 PRO 28 HG2 PRO 28 73.272 13.995 5.177 210 HG3 PRO 28 HG1 PRO 28 72.050 15.221 5.550 211 HD2 PRO 28 HD2 PRO 28 72.014 13.140 3.451 212 HD3 PRO 28 HD1 PRO 28 70.662 14.057 4.150 213 H LYS 29 HN LYS 29 73.767 18.438 2.480 214 HA LYS 29 HA LYS 29 74.066 18.584 -0.271 215 HB2 LYS 29 HB2 LYS 29 76.156 19.871 0.143 216 HB3 LYS 29 HB1 LYS 29 74.839 20.370 1.200 217 HG2 LYS 29 HG2 LYS 29 76.130 19.925 2.991 218 HG3 LYS 29 HG1 LYS 29 76.189 18.230 2.505 219 HD2 LYS 29 HD2 LYS 29 78.050 18.918 0.882 220 HD3 LYS 29 HD1 LYS 29 78.108 20.445 1.765 221 HE2 LYS 29 HE2 LYS 29 79.759 18.940 2.721 222 HE3 LYS 29 HE1 LYS 29 78.447 19.143 3.881 223 HZ1 LYS 29 HZ1 LYS 29 78.051 16.981 3.812 224 HZ2 LYS 29 HZ2 LYS 29 79.390 16.774 2.787 225 HZ3 LYS 29 HZ3 LYS 29 77.844 17.021 2.129 226 H1U RCY 30 H1U RCY 30 75.743 9.974 -5.443 227 H1S RCY 30 H1S RCY 30 73.627 12.685 -2.994 228 HB1 RCY 30 HB1 RCY 30 74.716 13.778 -1.118 229 HB2 RCY 30 HB2 RCY 30 75.960 13.441 -2.322 230 HA RCY 30 HA RCY 30 76.764 14.969 -0.518 231 HN1 RCY 30 HN1 RCY 30 74.410 16.577 -1.281 232 H LYS 31 HN LYS 31 78.723 15.468 -1.365 233 HA LYS 31 HA LYS 31 78.852 17.071 -3.860 234 HB2 LYS 31 HB2 LYS 31 81.314 17.192 -3.274 235 HB3 LYS 31 HB1 LYS 31 80.235 17.918 -2.083 236 HG2 LYS 31 HG2 LYS 31 80.815 15.031 -1.706 237 HG3 LYS 31 HG1 LYS 31 82.168 16.129 -1.430 238 HD2 LYS 31 HD2 LYS 31 80.956 17.352 0.232 239 HD3 LYS 31 HD1 LYS 31 79.439 16.560 -0.197 240 HE2 LYS 31 HE2 LYS 31 81.865 15.203 1.016 241 HE3 LYS 31 HE1 LYS 31 80.362 15.577 1.859 242 HZ1 LYS 31 HZ1 LYS 31 79.832 13.502 1.228 243 HZ2 LYS 31 HZ2 LYS 31 80.941 13.479 -0.059 244 HZ3 LYS 31 HZ3 LYS 31 79.435 14.243 -0.245 245 H GLN 32 HN GLN 32 78.303 14.029 -3.550 246 HA GLN 32 HA GLN 32 80.609 12.806 -4.871 247 HB2 GLN 32 HB2 GLN 32 77.920 11.899 -3.929 248 HB3 GLN 32 HB1 GLN 32 78.700 10.947 -5.191 249 HG2 GLN 32 HG2 GLN 32 80.162 11.752 -2.671 250 HG3 GLN 32 HG1 GLN 32 79.206 10.272 -2.761 251 HE21 GLN 32 HE21 GLN 32 79.807 9.595 -5.515 252 HE22 GLN 32 HE22 GLN 32 81.448 9.169 -5.594 253 H ARG 33 HN ARG 33 79.941 11.429 -6.955 254 HA ARG 33 HA ARG 33 78.071 12.805 -8.740 255 HE ARG 33 HE ARG 33 81.405 16.479 -8.527 256 HB2 ARG 33 HB2 ARG 33 80.864 13.561 -8.676 257 HB3 ARG 33 HB1 ARG 33 80.492 12.823 -10.232 258 HG2 ARG 33 HG2 ARG 33 78.708 14.379 -10.640 259 HG3 ARG 33 HG1 ARG 33 78.783 14.990 -8.987 260 HD2 ARG 33 HD2 ARG 33 81.329 15.137 -10.482 261 HD3 ARG 33 HD1 ARG 33 80.042 16.170 -11.103 262 HH11 ARG 33 HH21 ARG 33 78.631 17.103 -10.477 263 HH12 ARG 33 HH22 ARG 33 78.156 18.510 -9.586 264 HH21 ARG 33 HH11 ARG 33 80.802 18.314 -7.352 265 HH22 ARG 33 HH12 ARG 33 79.385 19.196 -7.817 266 H GLN 34 HN GLN 34 79.854 10.138 -7.753 267 HA GLN 34 HA GLN 34 78.579 8.375 -9.620 268 HB2 GLN 34 HB2 GLN 34 80.859 7.617 -10.654 269 HB3 GLN 34 HB1 GLN 34 80.048 9.029 -11.330 270 HG2 GLN 34 HG2 GLN 34 81.518 10.535 -10.286 271 HG3 GLN 34 HG1 GLN 34 82.033 9.346 -9.088 272 HE21 GLN 34 HE21 GLN 34 83.509 10.966 -11.342 273 HE22 GLN 34 HE22 GLN 34 84.444 9.776 -12.110 274 H THR 35 HN THR 35 81.864 7.569 -8.972 275 HA THR 35 HA THR 35 81.436 6.512 -6.296 276 HB THR 35 HB THR 35 80.173 4.837 -7.577 277 HG1 THR 35 HG1 THR 35 82.098 3.141 -7.218 278 HG21 THR 35 HG21 THR 35 81.066 3.667 -9.421 279 HG22 THR 35 HG22 THR 35 82.717 4.164 -9.048 280 HG23 THR 35 HG23 THR 35 81.569 5.334 -9.699 281 H ARG 36 HN ARG 36 83.386 4.268 -7.033 282 HA ARG 36 HA ARG 36 85.718 4.022 -6.929 283 HE ARG 36 HE ARG 36 89.694 4.292 -9.629 284 HB2 ARG 36 HB2 ARG 36 85.243 4.921 -9.325 285 HB3 ARG 36 HB1 ARG 36 85.889 6.445 -8.719 286 HG2 ARG 36 HG2 ARG 36 87.932 5.165 -7.949 287 HG3 ARG 36 HG1 ARG 36 87.302 3.767 -8.820 288 HD2 ARG 36 HD2 ARG 36 87.358 4.979 -10.921 289 HD3 ARG 36 HD1 ARG 36 87.809 6.470 -10.094 290 HH11 ARG 36 HH21 ARG 36 88.680 6.862 -11.691 291 HH12 ARG 36 HH22 ARG 36 90.246 7.092 -12.396 292 HH21 ARG 36 HH11 ARG 36 91.744 4.576 -10.539 293 HH22 ARG 36 HH12 ARG 36 91.980 5.797 -11.744 294 H GLN 37 HN GLN 37 84.524 5.638 -4.867 295 HA GLN 37 HA GLN 37 86.919 7.191 -4.096 296 HB2 GLN 37 HB2 GLN 37 84.940 8.593 -5.288 297 HB3 GLN 37 HB1 GLN 37 84.324 8.594 -3.636 298 HG2 GLN 37 HG2 GLN 37 85.683 10.512 -3.682 299 HG3 GLN 37 HG1 GLN 37 86.752 9.295 -2.982 300 HE21 GLN 37 HE21 GLN 37 87.694 11.632 -4.458 301 HE22 GLN 37 HE22 GLN 37 88.482 11.063 -5.850 302 H1U RCY 38 H1U RCY 38 83.393 2.373 -4.270 303 H1S RCY 38 H1S RCY 38 81.822 6.725 -2.857 304 HB1 RCY 38 HB1 RCY 38 83.613 6.738 0.896 305 HB2 RCY 38 HB2 RCY 38 83.775 5.575 -0.420 306 HA RCY 38 HA RCY 38 85.687 7.705 0.483 307 HN1 RCY 38 HN1 RCY 38 86.212 8.225 -1.742 308 H LYS 39 HN LYS 39 87.891 6.746 0.483 309 HA LYS 39 HA LYS 39 87.758 3.886 1.222 310 HB2 LYS 39 HB2 LYS 39 89.911 3.558 -0.206 311 HB3 LYS 39 HB1 LYS 39 88.353 3.547 -1.034 312 HG2 LYS 39 HG2 LYS 39 88.625 5.867 -1.694 313 HG3 LYS 39 HG1 LYS 39 90.101 6.006 -0.739 314 HD2 LYS 39 HD2 LYS 39 91.059 4.131 -2.170 315 HD3 LYS 39 HD1 LYS 39 89.661 4.339 -3.225 316 HE2 LYS 39 HE2 LYS 39 90.267 6.748 -3.484 317 HE3 LYS 39 HE1 LYS 39 91.720 6.454 -2.528 318 HZ1 LYS 39 HZ1 LYS 39 91.226 5.892 -5.274 319 HZ2 LYS 39 HZ2 LYS 39 91.708 4.491 -4.444 320 HZ3 LYS 39 HZ3 LYS 39 92.692 5.875 -4.420 321 H SER 40 HN SER 40 88.944 3.615 3.050 322 HA SER 40 HA SER 40 91.540 4.493 3.566 323 HG SER 40 HG SER 40 91.533 6.403 2.605 324 HB2 SER 40 HB2 SER 40 89.485 6.599 4.030 325 HB3 SER 40 HB1 SER 40 90.720 6.417 5.273 326 H LYS 41 HN LYS 41 88.652 5.009 5.618 327 HA LYS 41 HA LYS 41 89.721 3.656 7.871 328 HB2 LYS 41 HB2 LYS 41 86.776 3.788 7.203 329 HB3 LYS 41 HB1 LYS 41 87.525 3.764 8.799 330 HG2 LYS 41 HG2 LYS 41 87.680 5.999 6.757 331 HG3 LYS 41 HG1 LYS 41 86.852 6.044 8.314 332 HD2 LYS 41 HD2 LYS 41 89.157 5.508 9.345 333 HD3 LYS 41 HD1 LYS 41 89.820 5.966 7.775 334 HE2 LYS 41 HE2 LYS 41 88.448 8.126 8.011 335 HE3 LYS 41 HE1 LYS 41 88.242 7.675 9.703 336 HZ1 LYS 41 HZ1 LYS 41 90.179 8.721 9.987 337 HZ2 LYS 41 HZ2 LYS 41 90.573 8.673 8.335 338 HZ3 LYS 41 HZ3 LYS 41 90.885 7.328 9.325 339 HA PRO 42 HA PRO 42 89.233 -0.468 6.080 340 HB2 PRO 42 HB2 PRO 42 90.640 -1.840 7.953 341 HB3 PRO 42 HB1 PRO 42 91.430 -0.838 6.719 342 HG2 PRO 42 HG2 PRO 42 90.899 -0.233 9.582 343 HG3 PRO 42 HG1 PRO 42 92.309 0.160 8.586 344 HD2 PRO 42 HD2 PRO 42 90.282 1.954 9.193 345 HD3 PRO 42 HD1 PRO 42 91.360 2.099 7.788 346 HA PRO 43 HA PRO 43 85.870 -2.143 8.445 347 HB2 PRO 43 HB2 PRO 43 85.972 -4.781 7.768 348 HB3 PRO 43 HB1 PRO 43 85.478 -3.517 6.623 349 HG2 PRO 43 HG2 PRO 43 88.104 -4.896 6.887 350 HG3 PRO 43 HG1 PRO 43 87.210 -4.440 5.427 351 HD2 PRO 43 HD2 PRO 43 89.322 -2.985 6.407 352 HD3 PRO 43 HD1 PRO 43 88.001 -2.268 5.458 353 H LYS 44 HN LYS 44 85.322 -3.735 10.189 354 HA LYS 44 HA LYS 44 85.789 -4.883 12.179 355 HB2 LYS 44 HB2 LYS 44 87.404 -6.101 10.480 356 HB3 LYS 44 HB1 LYS 44 88.654 -5.228 11.366 357 HG2 LYS 44 HG2 LYS 44 87.673 -6.151 13.499 358 HG3 LYS 44 HG1 LYS 44 86.625 -7.164 12.506 359 HD2 LYS 44 HD2 LYS 44 88.631 -8.147 11.423 360 HD3 LYS 44 HD1 LYS 44 89.658 -7.172 12.475 361 HE2 LYS 44 HE2 LYS 44 88.874 -8.302 14.437 362 HE3 LYS 44 HE1 LYS 44 87.574 -9.089 13.543 363 HZ1 LYS 44 HZ1 LYS 44 89.329 -10.193 12.199 364 HZ2 LYS 44 HZ2 LYS 44 89.315 -10.656 13.833 365 HZ3 LYS 44 HZ3 LYS 44 90.489 -9.566 13.267 366 H LYS 45 HN LYS 45 85.719 -2.301 12.566 367 HA LYS 45 HA LYS 45 87.729 -1.823 14.622 368 HB2 LYS 45 HB2 LYS 45 89.063 -1.063 12.767 369 HB3 LYS 45 HB1 LYS 45 87.708 -0.158 12.091 370 HG2 LYS 45 HG2 LYS 45 87.786 1.471 13.798 371 HG3 LYS 45 HG1 LYS 45 88.744 0.438 14.859 372 HD2 LYS 45 HD2 LYS 45 89.901 1.179 12.203 373 HD3 LYS 45 HD1 LYS 45 89.881 2.405 13.471 374 HE2 LYS 45 HE2 LYS 45 91.040 -0.383 13.763 375 HE3 LYS 45 HE1 LYS 45 91.982 1.086 13.506 376 HZ1 LYS 45 HZ1 LYS 45 90.564 0.177 15.886 377 HZ2 LYS 45 HZ2 LYS 45 90.545 1.847 15.575 378 HZ3 LYS 45 HZ3 LYS 45 92.024 1.031 15.752 379 H GLY 46 HN GLY 46 85.946 0.559 12.670 380 HA2 GLY 46 HA2 GLY 46 84.109 1.912 13.236 381 HA3 GLY 46 HA1 GLY 46 83.694 0.720 14.468 382 H VAL 47 HN VAL 47 84.872 3.847 13.968 383 HA VAL 47 HA VAL 47 86.622 4.167 16.206 384 HB VAL 47 HB VAL 47 85.844 6.615 16.043 385 HG11 VAL 47 HG11 VAL 47 87.040 6.938 13.915 386 HG12 VAL 47 HG12 VAL 47 86.853 5.225 13.542 387 HG13 VAL 47 HG13 VAL 47 87.854 5.726 14.905 388 HG21 VAL 47 HG21 VAL 47 84.432 7.220 14.211 389 HG22 VAL 47 HG22 VAL 47 83.608 5.891 15.026 390 HG23 VAL 47 HG23 VAL 47 84.497 5.593 13.533 391 H GLN 48 HN GLN 48 83.472 3.192 16.238 392 HA GLN 48 HA GLN 48 81.847 3.089 17.926 393 HB2 GLN 48 HB2 GLN 48 84.070 2.491 19.176 394 HB3 GLN 48 HB1 GLN 48 83.912 4.104 19.871 395 HG2 GLN 48 HG2 GLN 48 81.513 3.446 20.483 396 HG3 GLN 48 HG1 GLN 48 81.979 1.790 20.092 397 HE21 GLN 48 HE21 GLN 48 84.755 2.079 21.073 398 HE22 GLN 48 HE22 GLN 48 84.661 2.153 22.766 399 H GLY 49 HN GLY 49 82.458 5.652 16.467 400 HA2 GLY 49 HA2 GLY 49 81.101 7.483 18.402 401 HA3 GLY 49 HA1 GLY 49 82.435 8.063 17.401 402 H1U RCY 50 H1U RCY 50 77.351 2.279 10.087 403 H1S RCY 50 H1S RCY 50 80.707 5.049 12.248 404 HB1 RCY 50 HB1 RCY 50 80.990 7.185 12.576 405 HB2 RCY 50 HB2 RCY 50 79.238 7.380 12.550 406 HA RCY 50 HA RCY 50 80.658 9.333 13.499 407 HN1 RCY 50 HN1 RCY 50 82.070 8.445 15.191 408 H GLY 51 HN GLY 51 78.101 7.139 14.196 409 HA2 GLY 51 HA2 GLY 51 75.867 7.537 14.795 410 HA3 GLY 51 HA1 GLY 51 76.551 8.529 16.082 411 H ASP 52 HN ASP 52 76.969 10.804 15.602 412 HA ASP 52 HA ASP 52 74.903 12.241 14.476 413 HB2 ASP 52 HB2 ASP 52 76.995 13.096 15.730 414 HB3 ASP 52 HB1 ASP 52 77.753 13.180 14.140 415 H ASP 53 HN ASP 53 74.614 13.327 12.411 416 HA ASP 53 HA ASP 53 75.372 11.630 10.152 417 HB2 ASP 53 HB2 ASP 53 73.987 14.310 9.978 418 HB3 ASP 53 HB1 ASP 53 73.860 12.941 8.872 419 H ILE 54 HN ILE 54 77.748 12.410 11.013 420 HA ILE 54 HA ILE 54 78.843 14.881 10.395 421 HB ILE 54 HB ILE 54 80.837 13.244 9.473 422 HG12 ILE 54 HG12 ILE 54 80.682 11.162 10.856 423 HG13 ILE 54 HG11 ILE 54 79.021 11.595 11.260 424 HG21 ILE 54 HG21 ILE 54 81.144 14.720 11.339 425 HG22 ILE 54 HG22 ILE 54 81.505 13.096 11.925 426 HG23 ILE 54 HG23 ILE 54 79.955 13.847 12.305 427 HD11 ILE 54 HD11 ILE 54 79.985 11.321 8.406 428 HD12 ILE 54 HD12 ILE 54 78.320 11.409 8.980 429 HD13 ILE 54 HD13 ILE 54 79.291 9.975 9.309 430 HA PRO 55 HA PRO 55 77.825 14.807 5.975 431 HB2 PRO 55 HB2 PRO 55 78.020 17.478 5.538 432 HB3 PRO 55 HB1 PRO 55 76.620 16.749 6.348 433 HG2 PRO 55 HG2 PRO 55 78.929 18.206 7.520 434 HG3 PRO 55 HG1 PRO 55 77.223 18.221 7.994 435 HD2 PRO 55 HD2 PRO 55 79.204 16.751 9.282 436 HD3 PRO 55 HD1 PRO 55 77.465 16.396 9.368 437 H GLY 56 HN GLY 56 80.102 13.710 5.978 438 HA2 GLY 56 HA2 GLY 56 81.794 15.209 4.144 439 HA3 GLY 56 HA1 GLY 56 82.545 14.978 5.723 440 H MET 57 HN MET 57 81.442 12.395 6.281 441 HA MET 57 HA MET 57 82.083 10.156 5.967 442 HB2 MET 57 HB2 MET 57 81.633 10.975 3.080 443 HB3 MET 57 HB1 MET 57 81.760 9.311 3.653 444 HG2 MET 57 HG2 MET 57 79.789 9.588 5.050 445 HG3 MET 57 HG1 MET 57 79.701 11.303 4.648 446 HE1 MET 57 HE1 MET 57 76.670 10.494 2.647 447 HE2 MET 57 HE2 MET 57 77.508 11.539 3.791 448 HE3 MET 57 HE3 MET 57 77.081 9.895 4.259 449 H GLU 58 HN GLU 58 83.409 10.878 2.827 450 HA GLU 58 HA GLU 58 85.615 10.801 2.038 451 HB2 GLU 58 HB2 GLU 58 85.680 12.763 3.769 452 HB3 GLU 58 HB1 GLU 58 86.553 11.617 4.784 453 HG2 GLU 58 HG2 GLU 58 88.250 12.758 3.581 454 HG3 GLU 58 HG1 GLU 58 88.065 11.221 2.737 455 H GLY 59 HN GLY 59 84.458 8.411 3.138 456 HA2 GLY 59 HA2 GLY 59 86.524 6.593 3.138 457 HA3 GLY 59 HA1 GLY 59 86.459 7.110 4.824 458 H1U RCY 60 H1U RCY 60 76.392 4.483 0.771 459 H1S RCY 60 H1S RCY 60 80.380 6.967 1.814 460 HB1 RCY 60 HB1 RCY 60 81.827 3.370 2.750 461 HB2 RCY 60 HB2 RCY 60 82.966 4.301 1.776 462 HA RCY 60 HA RCY 60 83.230 4.033 4.778 463 HN1 RCY 60 HN1 RCY 60 85.503 4.644 3.003 464 H GLY 61 HN GLY 61 84.016 2.608 1.625 465 HA2 GLY 61 HA2 GLY 61 85.837 0.663 2.080 466 HA3 GLY 61 HA1 GLY 61 84.451 0.012 2.957 467 H THR 62 HN THR 62 85.160 1.458 -0.250 468 HA THR 62 HA THR 62 82.936 0.077 -1.513 469 HB THR 62 HB THR 62 84.292 0.772 -3.640 470 HG1 THR 62 HG1 THR 62 85.504 2.742 -2.292 471 HG21 THR 62 HG21 THR 62 83.244 2.802 -1.647 472 HG22 THR 62 HG22 THR 62 82.299 1.956 -2.872 473 HG23 THR 62 HG23 THR 62 83.527 3.125 -3.357 474 H ASP 63 HN ASP 63 83.583 -2.107 -0.605 475 HA ASP 63 HA ASP 63 85.914 -3.509 -1.253 476 HB2 ASP 63 HB2 ASP 63 84.256 -4.556 0.147 477 HB3 ASP 63 HB1 ASP 63 83.049 -4.480 -1.133 478 H ILE 64 HN ILE 64 82.964 -3.165 -3.263 479 HA ILE 64 HA ILE 64 84.512 -4.236 -5.552 480 HB ILE 64 HB ILE 64 81.604 -4.070 -4.923 481 HG12 ILE 64 HG12 ILE 64 82.882 -6.174 -4.683 482 HG13 ILE 64 HG11 ILE 64 81.654 -6.322 -5.941 483 HG21 ILE 64 HG21 ILE 64 81.423 -4.640 -7.539 484 HG22 ILE 64 HG22 ILE 64 82.822 -3.568 -7.599 485 HG23 ILE 64 HG23 ILE 64 81.295 -2.988 -6.933 486 HD11 ILE 64 HD11 ILE 64 83.364 -7.069 -7.236 487 HD12 ILE 64 HD12 ILE 64 84.591 -6.386 -6.169 488 HD13 ILE 64 HD13 ILE 64 83.796 -5.364 -7.367 489 H THR 65 HN THR 65 81.887 -1.905 -5.673 490 HA THR 65 HA THR 65 83.359 0.478 -5.986 491 HB THR 65 HB THR 65 84.229 -0.862 -8.031 492 HG1 THR 65 HG1 THR 65 84.643 1.220 -8.202 493 HG21 THR 65 HG21 THR 65 81.592 -0.027 -9.233 494 HG22 THR 65 HG22 THR 65 81.815 -1.632 -8.537 495 HG23 THR 65 HG23 THR 65 82.807 -1.116 -9.901 496 H VAL 66 HN VAL 66 80.673 -1.449 -7.209 497 HA VAL 66 HA VAL 66 78.818 0.737 -6.439 498 HB VAL 66 HB VAL 66 77.465 0.218 -8.531 499 HG11 VAL 66 HG11 VAL 66 80.157 1.547 -8.544 500 HG12 VAL 66 HG12 VAL 66 78.555 2.276 -8.654 501 HG13 VAL 66 HG13 VAL 66 79.241 1.438 -10.047 502 HG21 VAL 66 HG21 VAL 66 79.540 -1.738 -8.804 503 HG22 VAL 66 HG22 VAL 66 79.652 -0.621 -10.164 504 HG23 VAL 66 HG23 VAL 66 78.143 -1.479 -9.848 505 H ILE 67 HN ILE 67 79.439 -2.667 -7.170 506 HA ILE 67 HA ILE 67 77.103 -3.341 -5.431 507 HB ILE 67 HB ILE 67 77.809 -4.707 -8.042 508 HG12 ILE 67 HG12 ILE 67 75.324 -3.150 -7.275 509 HG13 ILE 67 HG11 ILE 67 76.663 -2.456 -8.189 510 HG21 ILE 67 HG21 ILE 67 75.607 -5.900 -7.538 511 HG22 ILE 67 HG22 ILE 67 75.751 -5.269 -5.897 512 HG23 ILE 67 HG23 ILE 67 76.979 -6.364 -6.531 513 HD11 ILE 67 HD11 ILE 67 76.348 -4.027 -9.989 514 HD12 ILE 67 HD12 ILE 67 74.769 -3.335 -9.616 515 HD13 ILE 67 HD13 ILE 67 75.179 -4.953 -9.047 516 H1U RCY 68 H1U RCY 68 74.180 -1.305 -1.439 517 H1S RCY 68 H1S RCY 68 78.359 -3.338 -2.706 518 HB1 RCY 68 HB1 RCY 68 80.822 -3.910 -2.453 519 HB2 RCY 68 HB2 RCY 68 81.170 -5.499 -1.773 520 HA RCY 68 HA RCY 68 80.672 -5.856 -4.094 521 HN1 RCY 68 HN1 RCY 68 78.644 -3.785 -3.740 522 HA PRO 69 HA PRO 69 78.120 -9.385 -3.357 523 HB2 PRO 69 HB2 PRO 69 79.794 -10.842 -1.647 524 HB3 PRO 69 HB1 PRO 69 79.865 -10.861 -3.418 525 HG2 PRO 69 HG2 PRO 69 81.543 -9.377 -1.477 526 HG3 PRO 69 HG1 PRO 69 81.976 -10.089 -3.040 527 HD2 PRO 69 HD2 PRO 69 81.626 -7.411 -2.721 528 HD3 PRO 69 HD1 PRO 69 81.230 -8.242 -4.243 529 H TRP 70 HN TRP 70 79.186 -7.355 -0.806 530 HA TRP 70 HA TRP 70 77.714 -8.718 1.323 531 HD1 TRP 70 HD1 TRP 70 76.620 -8.161 3.089 532 HE1 TRP 70 HE1 TRP 70 76.987 -8.348 5.633 533 HE3 TRP 70 HE3 TRP 70 81.174 -5.887 3.492 534 HZ2 TRP 70 HZ2 TRP 70 78.955 -7.626 7.585 535 HZ3 TRP 70 HZ3 TRP 70 82.270 -5.650 5.699 536 HH2 TRP 70 HH2 TRP 70 81.170 -6.515 7.744 537 HB2 TRP 70 HB2 TRP 70 79.784 -7.033 1.424 538 HB3 TRP 70 HB1 TRP 70 78.505 -5.828 1.509 539 H GLU 71 HN GLU 71 76.798 -6.930 -1.332 540 HA GLU 71 HA GLU 71 74.690 -5.327 -0.121 541 HB2 GLU 71 HB2 GLU 71 75.563 -6.008 -2.906 542 HB3 GLU 71 HB1 GLU 71 73.923 -5.399 -2.680 543 HG2 GLU 71 HG2 GLU 71 74.888 -3.464 -1.399 544 HG3 GLU 71 HG1 GLU 71 76.498 -4.039 -1.835 545 H ALA 72 HN ALA 72 74.877 -8.497 -1.706 546 HA ALA 72 HA ALA 72 72.091 -9.018 -1.882 547 HB1 ALA 72 HB1 ALA 72 72.684 -11.329 -2.100 548 HB2 ALA 72 HB2 ALA 72 74.195 -11.092 -1.223 549 HB3 ALA 72 HB3 ALA 72 73.998 -10.416 -2.839 550 H1U RCY 73 H1U RCY 73 73.910 -5.675 5.222 551 H1S RCY 73 H1S RCY 73 69.918 -7.066 4.572 552 HB1 RCY 73 HB1 RCY 73 68.801 -10.237 2.413 553 HB2 RCY 73 HB2 RCY 73 68.866 -9.377 0.876 554 HA RCY 73 HA RCY 73 71.249 -8.899 2.503 555 HN1 RCY 73 HN1 RCY 73 70.644 -9.037 -0.239 556 H ASN 74 HN ASN 74 72.919 -10.465 2.922 557 HA ASN 74 HA ASN 74 72.157 -13.327 2.698 558 HB2 ASN 74 HB2 ASN 74 74.476 -12.328 2.052 559 HB3 ASN 74 HB1 ASN 74 74.774 -12.296 3.790 560 HD21 ASN 74 HD21 ASN 74 72.713 -14.826 3.505 561 HD22 ASN 74 HD22 ASN 74 73.814 -16.093 3.256 562 H HIS 75 HN HIS 75 70.476 -12.441 4.461 563 HA HIS 75 HA HIS 75 69.736 -12.820 6.660 564 HD1 HIS 75 HD1 HIS 75 69.460 -15.202 5.591 565 HD2 HIS 75 HD2 HIS 75 73.586 -15.727 5.904 566 HE1 HIS 75 HE1 HIS 75 70.077 -17.020 3.939 567 HE2 HIS 75 HE2 HIS 75 72.586 -17.349 4.120 568 HB2 HIS 75 HB2 HIS 75 72.461 -13.775 7.492 569 HB3 HIS 75 HB1 HIS 75 70.874 -14.346 8.002 570 H1U RCY 76 H1U RCY 76 77.250 -4.042 4.293 571 H1S RCY 76 H1S RCY 76 73.987 -6.413 5.124 572 HB1 RCY 76 HB1 RCY 76 71.781 -7.617 5.844 573 HB2 RCY 76 HB2 RCY 76 73.012 -8.862 5.637 574 HA RCY 76 HA RCY 76 72.447 -9.394 8.167 575 HN1 RCY 76 HN1 RCY 76 70.996 -10.336 5.756 576 H GLU 77 HN GLU 77 69.279 -9.591 7.036 577 HA GLU 77 HA GLU 77 68.276 -7.053 8.007 578 HB2 GLU 77 HB2 GLU 77 66.041 -8.336 7.953 579 HB3 GLU 77 HB1 GLU 77 66.897 -8.157 6.421 580 HG2 GLU 77 HG2 GLU 77 67.750 -10.394 6.532 581 HG3 GLU 77 HG1 GLU 77 67.227 -10.578 8.207 582 H LEU 78 HN LEU 78 68.866 -10.202 9.454 583 HA LEU 78 HA LEU 78 67.351 -9.653 11.873 584 HG LEU 78 HG LEU 78 70.069 -11.274 10.194 585 HB2 LEU 78 HB2 LEU 78 68.549 -11.651 12.769 586 HB3 LEU 78 HB1 LEU 78 67.769 -11.958 11.222 587 HD11 LEU 78 HD11 LEU 78 71.378 -10.486 11.931 588 HD12 LEU 78 HD12 LEU 78 71.847 -12.186 11.960 589 HD13 LEU 78 HD13 LEU 78 70.655 -11.580 13.110 590 HD21 LEU 78 HD21 LEU 78 69.499 -13.852 11.670 591 HD22 LEU 78 HD22 LEU 78 70.919 -13.656 10.643 592 HD23 LEU 78 HD23 LEU 78 69.303 -13.520 9.949 593 H HIS 79 HN HIS 79 69.553 -7.770 10.886 594 HA HIS 79 HA HIS 79 71.822 -7.760 12.500 595 HD1 HIS 79 HD1 HIS 79 72.650 -5.687 9.470 596 HD2 HIS 79 HD2 HIS 79 73.399 -5.292 13.554 597 HE1 HIS 79 HE1 HIS 79 75.117 -5.159 9.697 598 HE2 HIS 79 HE2 HIS 79 75.586 -4.916 12.178 599 HB2 HIS 79 HB2 HIS 79 70.564 -5.941 10.805 600 HB3 HIS 79 HB1 HIS 79 70.592 -5.100 12.351 601 H GLU 80 HN GLU 80 72.127 -6.088 14.407 602 HA GLU 80 HA GLU 80 70.112 -6.818 16.463 603 HB2 GLU 80 HB2 GLU 80 72.665 -7.123 16.747 604 HB3 GLU 80 HB1 GLU 80 72.715 -5.374 16.966 605 HG2 GLU 80 HG2 GLU 80 72.494 -6.250 19.163 606 HG3 GLU 80 HG1 GLU 80 70.872 -5.711 18.729 607 H LEU 81 HN LEU 81 71.771 -3.923 15.170 608 HA LEU 81 HA LEU 81 70.081 -2.150 16.774 609 HG LEU 81 HG LEU 81 71.069 -1.122 13.428 610 HB2 LEU 81 HB2 LEU 81 71.299 -0.344 15.785 611 HB3 LEU 81 HB1 LEU 81 72.471 -1.627 16.072 612 HD11 LEU 81 HD11 LEU 81 72.753 0.628 14.143 613 HD12 LEU 81 HD12 LEU 81 73.165 -0.218 12.651 614 HD13 LEU 81 HD13 LEU 81 73.971 -0.648 14.160 615 HD21 LEU 81 HD21 LEU 81 73.095 -3.131 14.405 616 HD22 LEU 81 HD22 LEU 81 73.020 -2.687 12.700 617 HD23 LEU 81 HD23 LEU 81 71.618 -3.415 13.484 618 H ALA 82 HN ALA 82 69.133 -4.065 14.468 619 HA ALA 82 HA ALA 82 68.040 -2.491 12.380 620 HB1 ALA 82 HB1 ALA 82 67.115 -5.059 13.682 621 HB2 ALA 82 HB2 ALA 82 67.937 -4.859 12.135 622 HB3 ALA 82 HB3 ALA 82 66.260 -4.344 12.315 623 H GLN 83 HN GLN 83 67.323 -0.518 13.421 624 HA GLN 83 HA GLN 83 64.541 -0.715 14.394 625 HB2 GLN 83 HB2 GLN 83 66.201 -0.829 16.384 626 HB3 GLN 83 HB1 GLN 83 66.529 0.866 16.027 627 HG2 GLN 83 HG2 GLN 83 64.762 1.242 17.423 628 HG3 GLN 83 HG1 GLN 83 63.803 0.869 15.990 629 HE21 GLN 83 HE21 GLN 83 65.600 -1.136 18.409 630 HE22 GLN 83 HE22 GLN 83 64.307 -2.197 18.698 631 H TYR 84 HN TYR 84 66.879 0.750 12.546 632 HA TYR 84 HA TYR 84 65.148 3.148 12.159 633 HD1 TYR 84 HD2 TYR 84 67.977 2.357 14.810 634 HD2 TYR 84 HD1 TYR 84 65.739 5.769 13.471 635 HE1 TYR 84 HE2 TYR 84 67.476 2.952 17.165 636 HE2 TYR 84 HE1 TYR 84 65.237 6.364 15.825 637 HH TYR 84 HH TYR 84 66.810 5.481 18.318 638 HB2 TYR 84 HB2 TYR 84 68.163 3.184 12.501 639 HB3 TYR 84 HB1 TYR 84 67.203 4.557 11.951 640 H GLY 85 HN GLY 85 65.447 0.685 10.610 641 HA2 GLY 85 HA2 GLY 85 65.303 1.409 8.019 642 HA3 GLY 85 HA1 GLY 85 67.049 1.488 8.256 643 H ILE 86 HN ILE 86 65.710 -0.842 10.283 644 HA ILE 86 HA ILE 86 66.074 -3.174 10.285 645 HB ILE 86 HB ILE 86 64.849 -2.911 7.523 646 HG12 ILE 86 HG12 ILE 86 62.809 -3.503 9.279 647 HG13 ILE 86 HG11 ILE 86 63.783 -2.366 10.213 648 HG21 ILE 86 HG21 ILE 86 64.001 -5.144 7.948 649 HG22 ILE 86 HG22 ILE 86 64.636 -5.116 9.594 650 HG23 ILE 86 HG23 ILE 86 65.744 -5.155 8.222 651 HD11 ILE 86 HD11 ILE 86 62.076 -1.191 8.857 652 HD12 ILE 86 HD12 ILE 86 62.768 -1.892 7.394 653 HD13 ILE 86 HD13 ILE 86 63.710 -0.754 8.358 654 H1U RCY 87 H1U RCY 87 75.998 2.430 7.663 655 H1S RCY 87 H1S RCY 87 72.654 -0.878 6.530 656 HB1 RCY 87 HB1 RCY 87 71.032 -2.579 10.034 657 HB2 RCY 87 HB2 RCY 87 70.564 -1.257 8.967 658 HA RCY 87 HA RCY 87 69.644 -2.958 7.365 659 HN1 RCY 87 HN1 RCY 87 68.465 -2.395 9.984 Start of MODEL 39 1 HA MET 1 HA MET 1 59.592 8.341 23.821 2 HB2 MET 1 HB2 MET 1 57.654 9.139 21.639 3 HB3 MET 1 HB1 MET 1 57.545 9.488 23.364 4 HG2 MET 1 HG2 MET 1 59.806 10.727 23.032 5 HG3 MET 1 HG1 MET 1 59.401 10.690 21.316 6 HE1 MET 1 HE1 MET 1 55.982 10.751 21.966 7 HE2 MET 1 HE2 MET 1 56.988 11.091 20.560 8 HE3 MET 1 HE3 MET 1 55.926 12.343 21.199 9 H ASN 2 HN ASN 2 57.535 7.454 21.047 10 HA ASN 2 HA ASN 2 56.845 4.938 22.477 11 HB2 ASN 2 HB2 ASN 2 54.963 6.326 21.751 12 HB3 ASN 2 HB1 ASN 2 55.562 6.304 20.091 13 HD21 ASN 2 HD21 ASN 2 56.156 3.315 21.626 14 HD22 ASN 2 HD22 ASN 2 54.824 2.462 21.009 15 H LEU 3 HN LEU 3 56.638 5.351 18.999 16 HA LEU 3 HA LEU 3 57.238 3.609 17.445 17 HG LEU 3 HG LEU 3 59.971 4.710 19.491 18 HB2 LEU 3 HB2 LEU 3 59.707 3.988 16.930 19 HB3 LEU 3 HB1 LEU 3 58.680 5.419 16.887 20 HD11 LEU 3 HD11 LEU 3 61.959 6.132 18.719 21 HD12 LEU 3 HD12 LEU 3 61.393 5.842 17.074 22 HD13 LEU 3 HD13 LEU 3 61.887 4.487 18.088 23 HD21 LEU 3 HD21 LEU 3 58.346 6.703 18.796 24 HD22 LEU 3 HD22 LEU 3 59.856 7.436 18.256 25 HD23 LEU 3 HD23 LEU 3 59.660 6.963 19.944 26 H GLU 4 HN GLU 4 56.832 2.164 19.718 27 HA GLU 4 HA GLU 4 59.050 0.816 20.838 28 HB2 GLU 4 HB2 GLU 4 57.432 -1.027 21.311 29 HB3 GLU 4 HB1 GLU 4 56.790 0.557 21.743 30 HG2 GLU 4 HG2 GLU 4 55.730 0.604 19.416 31 HG3 GLU 4 HG1 GLU 4 56.136 -1.109 19.305 32 HA PRO 5 HA PRO 5 61.036 -1.637 17.759 33 HB2 PRO 5 HB2 PRO 5 60.138 -3.970 19.428 34 HB3 PRO 5 HB1 PRO 5 61.732 -3.648 18.715 35 HG2 PRO 5 HG2 PRO 5 61.200 -3.180 21.302 36 HG3 PRO 5 HG1 PRO 5 62.324 -2.181 20.368 37 HD2 PRO 5 HD2 PRO 5 59.662 -1.479 21.419 38 HD3 PRO 5 HD1 PRO 5 60.959 -0.410 20.844 39 HA PRO 6 HA PRO 6 57.468 -2.866 15.312 40 HB2 PRO 6 HB2 PRO 6 58.770 -3.599 13.037 41 HB3 PRO 6 HB1 PRO 6 58.576 -1.902 13.521 42 HG2 PRO 6 HG2 PRO 6 60.946 -3.681 13.808 43 HG3 PRO 6 HG1 PRO 6 60.866 -1.969 13.360 44 HD2 PRO 6 HD2 PRO 6 61.521 -2.845 15.888 45 HD3 PRO 6 HD1 PRO 6 60.783 -1.262 15.557 46 H LYS 7 HN LYS 7 56.654 -4.851 14.177 47 HA LYS 7 HA LYS 7 56.783 -7.192 15.617 48 HB2 LYS 7 HB2 LYS 7 55.266 -6.768 13.671 49 HB3 LYS 7 HB1 LYS 7 56.622 -7.097 12.594 50 HG2 LYS 7 HG2 LYS 7 56.857 -9.353 13.641 51 HG3 LYS 7 HG1 LYS 7 55.415 -9.021 14.601 52 HD2 LYS 7 HD2 LYS 7 54.445 -10.112 12.806 53 HD3 LYS 7 HD1 LYS 7 54.384 -8.451 12.215 54 HE2 LYS 7 HE2 LYS 7 55.320 -9.675 10.416 55 HE3 LYS 7 HE1 LYS 7 56.708 -8.920 11.199 56 HZ1 LYS 7 HZ1 LYS 7 56.016 -11.701 10.980 57 HZ2 LYS 7 HZ2 LYS 7 56.425 -11.236 12.562 58 HZ3 LYS 7 HZ3 LYS 7 57.520 -10.979 11.289 59 H ALA 8 HN ALA 8 58.309 -7.451 12.466 60 HA ALA 8 HA ALA 8 60.963 -7.968 13.553 61 HB1 ALA 8 HB1 ALA 8 60.084 -10.096 14.170 62 HB2 ALA 8 HB2 ALA 8 60.952 -10.373 12.660 63 HB3 ALA 8 HB3 ALA 8 59.192 -10.250 12.656 64 H GLU 9 HN GLU 9 60.524 -10.011 10.959 65 HA GLU 9 HA GLU 9 60.387 -8.161 8.768 66 HB2 GLU 9 HB2 GLU 9 62.873 -8.181 10.130 67 HB3 GLU 9 HB1 GLU 9 63.136 -9.079 8.637 68 HG2 GLU 9 HG2 GLU 9 61.900 -6.315 8.837 69 HG3 GLU 9 HG1 GLU 9 63.541 -6.670 8.294 70 H1U RCY 10 H1U RCY 10 56.708 -9.143 2.288 71 H1S RCY 10 H1S RCY 10 58.946 -13.036 4.121 72 HB1 RCY 10 HB1 RCY 10 57.671 -11.266 6.380 73 HB2 RCY 10 HB2 RCY 10 57.741 -12.117 7.923 74 HA RCY 10 HA RCY 10 60.168 -12.515 7.568 75 HN1 RCY 10 HN1 RCY 10 59.107 -9.785 7.830 76 H ARG 11 HN ARG 11 58.522 -12.004 4.786 77 HA ARG 11 HA ARG 11 59.403 -12.310 2.588 78 HE ARG 11 HE ARG 11 59.501 -7.194 5.376 79 HB2 ARG 11 HB2 ARG 11 60.428 -10.002 1.900 80 HB3 ARG 11 HB1 ARG 11 58.737 -10.073 2.392 81 HG2 ARG 11 HG2 ARG 11 59.335 -9.376 4.663 82 HG3 ARG 11 HG1 ARG 11 61.046 -9.374 4.232 83 HD2 ARG 11 HD2 ARG 11 60.800 -7.521 2.783 84 HD3 ARG 11 HD1 ARG 11 59.047 -7.706 2.707 85 HH11 ARG 11 HH21 ARG 11 60.444 -5.740 2.396 86 HH12 ARG 11 HH22 ARG 11 60.516 -4.137 3.047 87 HH21 ARG 11 HH11 ARG 11 59.589 -5.108 6.244 88 HH22 ARG 11 HH12 ARG 11 60.032 -3.779 5.226 89 H SER 12 HN SER 12 61.121 -13.753 4.033 90 HA SER 12 HA SER 12 63.634 -13.404 2.631 91 HG SER 12 HG SER 12 63.362 -12.873 6.476 92 HB2 SER 12 HB2 SER 12 65.051 -12.720 4.352 93 HB3 SER 12 HB1 SER 12 63.609 -11.770 4.707 94 H ALA 13 HN ALA 13 65.156 -14.863 4.686 95 HA ALA 13 HA ALA 13 65.469 -17.057 5.464 96 HB1 ALA 13 HB1 ALA 13 62.948 -16.569 6.200 97 HB2 ALA 13 HB2 ALA 13 63.645 -18.183 6.333 98 HB3 ALA 13 HB3 ALA 13 62.611 -17.779 4.962 99 H THR 14 HN THR 14 63.581 -16.516 2.542 100 HA THR 14 HA THR 14 64.062 -19.159 1.440 101 HB THR 14 HB THR 14 63.476 -16.722 -0.232 102 HG1 THR 14 HG1 THR 14 61.898 -16.399 1.132 103 HG21 THR 14 HG21 THR 14 62.361 -18.260 -1.637 104 HG22 THR 14 HG22 THR 14 62.248 -19.473 -0.362 105 HG23 THR 14 HG23 THR 14 63.805 -19.127 -1.114 106 H ARG 15 HN ARG 15 66.413 -17.552 2.398 107 HA ARG 15 HA ARG 15 68.624 -17.180 1.719 108 HE ARG 15 HE ARG 15 71.046 -18.630 -2.694 109 HB2 ARG 15 HB2 ARG 15 68.151 -19.539 0.761 110 HB3 ARG 15 HB1 ARG 15 67.981 -18.726 -0.794 111 HG2 ARG 15 HG2 ARG 15 70.255 -17.660 -0.335 112 HG3 ARG 15 HG1 ARG 15 70.416 -18.805 0.997 113 HD2 ARG 15 HD2 ARG 15 71.422 -19.999 -0.728 114 HD3 ARG 15 HD1 ARG 15 69.760 -20.575 -0.849 115 HH11 ARG 15 HH21 ARG 15 68.380 -20.563 -1.674 116 HH12 ARG 15 HH22 ARG 15 67.533 -20.425 -3.179 117 HH21 ARG 15 HH11 ARG 15 69.955 -18.438 -4.664 118 HH22 ARG 15 HH12 ARG 15 68.425 -19.221 -4.872 119 H VAL 16 HN VAL 16 67.116 -17.329 -1.512 120 HA VAL 16 HA VAL 16 67.071 -14.437 -1.791 121 HB VAL 16 HB VAL 16 69.549 -15.722 -2.269 122 HG11 VAL 16 HG11 VAL 16 68.254 -14.820 -4.860 123 HG12 VAL 16 HG12 VAL 16 68.565 -16.500 -4.426 124 HG13 VAL 16 HG13 VAL 16 69.912 -15.387 -4.663 125 HG21 VAL 16 HG21 VAL 16 68.548 -13.022 -3.233 126 HG22 VAL 16 HG22 VAL 16 70.236 -13.477 -3.000 127 HG23 VAL 16 HG23 VAL 16 69.155 -13.357 -1.612 128 H MET 17 HN MET 17 66.295 -13.826 -3.997 129 HA MET 17 HA MET 17 64.104 -15.310 -4.869 130 HB2 MET 17 HB2 MET 17 64.330 -13.080 -5.684 131 HB3 MET 17 HB1 MET 17 65.917 -13.413 -6.373 132 HG2 MET 17 HG2 MET 17 63.969 -13.337 -8.033 133 HG3 MET 17 HG1 MET 17 64.991 -14.772 -8.105 134 HE1 MET 17 HE1 MET 17 61.973 -13.317 -6.082 135 HE2 MET 17 HE2 MET 17 60.679 -14.348 -6.687 136 HE3 MET 17 HE3 MET 17 61.581 -13.330 -7.806 137 H GLY 18 HN GLY 18 67.042 -15.125 -6.901 138 HA2 GLY 18 HA2 GLY 18 67.405 -17.979 -7.032 139 HA3 GLY 18 HA1 GLY 18 66.501 -17.413 -8.438 140 H GLY 19 HN GLY 19 68.707 -18.399 -9.295 141 HA2 GLY 19 HA2 GLY 19 70.916 -16.439 -9.194 142 HA3 GLY 19 HA1 GLY 19 70.977 -18.026 -9.961 143 HA PRO 20 HA PRO 20 69.628 -16.777 -13.998 144 HB2 PRO 20 HB2 PRO 20 66.700 -16.880 -13.359 145 HB3 PRO 20 HB1 PRO 20 67.580 -17.585 -14.730 146 HG2 PRO 20 HG2 PRO 20 66.769 -19.088 -12.698 147 HG3 PRO 20 HG1 PRO 20 68.328 -19.380 -13.489 148 HD2 PRO 20 HD2 PRO 20 67.773 -18.164 -10.818 149 HD3 PRO 20 HD1 PRO 20 69.174 -19.117 -11.356 150 H1U RCY 21 H1U RCY 21 69.796 -6.579 -7.936 151 H1S RCY 21 H1S RCY 21 69.625 -10.225 -9.665 152 HB1 RCY 21 HB1 RCY 21 70.706 -12.079 -11.886 153 HB2 RCY 21 HB2 RCY 21 69.308 -12.916 -11.210 154 HA RCY 21 HA RCY 21 68.263 -12.567 -13.581 155 HN1 RCY 21 HN1 RCY 21 70.439 -14.601 -13.439 156 H THR 22 HN THR 22 68.877 -10.667 -14.747 157 HA THR 22 HA THR 22 71.617 -10.663 -15.931 158 HB THR 22 HB THR 22 70.791 -10.423 -18.158 159 HG1 THR 22 HG1 THR 22 68.961 -9.465 -18.408 160 HG21 THR 22 HG21 THR 22 70.741 -12.740 -17.168 161 HG22 THR 22 HG22 THR 22 69.621 -12.505 -18.510 162 HG23 THR 22 HG23 THR 22 69.022 -12.505 -16.852 163 HA PRO 23 HA PRO 23 70.616 -6.459 -14.345 164 HB2 PRO 23 HB2 PRO 23 73.541 -6.143 -14.748 165 HB3 PRO 23 HB1 PRO 23 72.564 -5.836 -13.300 166 HG2 PRO 23 HG2 PRO 23 74.215 -7.936 -13.493 167 HG3 PRO 23 HG1 PRO 23 72.694 -8.006 -12.589 168 HD2 PRO 23 HD2 PRO 23 73.342 -9.159 -15.276 169 HD3 PRO 23 HD1 PRO 23 72.271 -9.791 -14.004 170 H ARG 24 HN ARG 24 71.319 -4.238 -15.298 171 HA ARG 24 HA ARG 24 72.366 -4.120 -17.971 172 HE ARG 24 HE ARG 24 70.325 -3.096 -22.211 173 HB2 ARG 24 HB2 ARG 24 70.037 -5.191 -18.275 174 HB3 ARG 24 HB1 ARG 24 69.391 -3.609 -17.840 175 HG2 ARG 24 HG2 ARG 24 70.412 -2.557 -19.714 176 HG3 ARG 24 HG1 ARG 24 71.457 -3.945 -20.019 177 HD2 ARG 24 HD2 ARG 24 69.428 -5.308 -20.535 178 HD3 ARG 24 HD1 ARG 24 68.443 -3.857 -20.343 179 HH11 ARG 24 HH21 ARG 24 68.159 -5.751 -21.827 180 HH12 ARG 24 HH22 ARG 24 67.941 -5.991 -23.529 181 HH21 ARG 24 HH11 ARG 24 70.053 -3.394 -24.435 182 HH22 ARG 24 HH12 ARG 24 69.013 -4.656 -25.005 183 H LYS 25 HN LYS 25 69.601 -2.316 -16.635 184 HA LYS 25 HA LYS 25 69.413 -0.020 -16.169 185 HB2 LYS 25 HB2 LYS 25 71.984 -0.917 -14.918 186 HB3 LYS 25 HB1 LYS 25 71.638 0.811 -14.946 187 HG2 LYS 25 HG2 LYS 25 70.787 -0.233 -12.874 188 HG3 LYS 25 HG1 LYS 25 69.466 0.402 -13.855 189 HD2 LYS 25 HD2 LYS 25 68.979 -1.813 -14.729 190 HD3 LYS 25 HD1 LYS 25 70.386 -2.486 -13.903 191 HE2 LYS 25 HE2 LYS 25 69.416 -2.176 -11.761 192 HE3 LYS 25 HE1 LYS 25 68.187 -1.078 -12.387 193 HZ1 LYS 25 HZ1 LYS 25 67.126 -2.858 -13.519 194 HZ2 LYS 25 HZ2 LYS 25 67.384 -3.366 -11.918 195 HZ3 LYS 25 HZ3 LYS 25 68.390 -3.933 -13.164 196 H GLY 26 HN GLY 26 71.359 2.024 -16.225 197 HA2 GLY 26 HA2 GLY 26 71.424 2.733 -18.947 198 HA3 GLY 26 HA1 GLY 26 72.493 3.426 -17.728 199 HA PRO 27 HA PRO 27 75.014 1.197 -21.022 200 HB2 PRO 27 HB2 PRO 27 76.820 3.416 -20.154 201 HB3 PRO 27 HB1 PRO 27 76.463 2.830 -21.790 202 HG2 PRO 27 HG2 PRO 27 75.436 5.106 -20.863 203 HG3 PRO 27 HG1 PRO 27 74.525 4.042 -21.948 204 HD2 PRO 27 HD2 PRO 27 74.171 4.491 -19.019 205 HD3 PRO 27 HD1 PRO 27 72.963 4.063 -20.251 206 HA PRO 28 HA PRO 28 77.558 -1.369 -18.476 207 HB2 PRO 28 HB2 PRO 28 79.922 -0.152 -19.874 208 HB3 PRO 28 HB1 PRO 28 79.565 -1.861 -19.550 209 HG2 PRO 28 HG2 PRO 28 79.164 -0.772 -21.955 210 HG3 PRO 28 HG1 PRO 28 78.092 -2.022 -21.304 211 HD2 PRO 28 HD2 PRO 28 77.561 0.865 -21.706 212 HD3 PRO 28 HD1 PRO 28 76.412 -0.483 -21.562 213 H LYS 29 HN LYS 29 79.163 -1.256 -16.709 214 HA LYS 29 HA LYS 29 80.133 -0.228 -14.848 215 HB2 LYS 29 HB2 LYS 29 80.647 1.713 -17.061 216 HB3 LYS 29 HB1 LYS 29 80.845 2.312 -15.417 217 HG2 LYS 29 HG2 LYS 29 82.971 1.412 -16.196 218 HG3 LYS 29 HG1 LYS 29 82.331 0.362 -14.931 219 HD2 LYS 29 HD2 LYS 29 81.385 -1.129 -16.686 220 HD3 LYS 29 HD1 LYS 29 82.123 -0.107 -17.920 221 HE2 LYS 29 HE2 LYS 29 83.712 -1.818 -17.632 222 HE3 LYS 29 HE1 LYS 29 84.337 -0.518 -16.616 223 HZ1 LYS 29 HZ1 LYS 29 82.492 -2.078 -15.157 224 HZ2 LYS 29 HZ2 LYS 29 84.139 -1.802 -14.843 225 HZ3 LYS 29 HZ3 LYS 29 83.667 -3.093 -15.841 226 H1U RCY 30 H1U RCY 30 75.884 5.757 -8.871 227 H1S RCY 30 H1S RCY 30 75.648 3.825 -12.843 228 HB1 RCY 30 HB1 RCY 30 76.360 1.629 -13.016 229 HB2 RCY 30 HB2 RCY 30 75.703 0.632 -14.313 230 HA RCY 30 HA RCY 30 75.822 2.806 -15.739 231 HN1 RCY 30 HN1 RCY 30 77.610 1.532 -16.553 232 H LYS 31 HN LYS 31 76.071 4.959 -15.487 233 HA LYS 31 HA LYS 31 77.542 5.964 -13.108 234 HB2 LYS 31 HB2 LYS 31 78.238 7.759 -15.153 235 HB3 LYS 31 HB1 LYS 31 79.309 6.591 -14.383 236 HG2 LYS 31 HG2 LYS 31 78.842 4.931 -16.056 237 HG3 LYS 31 HG1 LYS 31 77.529 5.898 -16.731 238 HD2 LYS 31 HD2 LYS 31 79.135 7.635 -17.405 239 HD3 LYS 31 HD1 LYS 31 80.455 6.697 -16.705 240 HE2 LYS 31 HE2 LYS 31 78.714 5.950 -19.066 241 HE3 LYS 31 HE1 LYS 31 80.457 6.223 -19.058 242 HZ1 LYS 31 HZ1 LYS 31 80.359 4.324 -17.272 243 HZ2 LYS 31 HZ2 LYS 31 80.403 3.968 -18.933 244 HZ3 LYS 31 HZ3 LYS 31 78.928 3.922 -18.091 245 H GLN 32 HN GLN 32 77.210 8.517 -13.119 246 HA GLN 32 HA GLN 32 74.435 9.113 -14.063 247 HB2 GLN 32 HB2 GLN 32 74.533 8.568 -11.600 248 HB3 GLN 32 HB1 GLN 32 75.577 9.972 -11.394 249 HG2 GLN 32 HG2 GLN 32 73.356 10.729 -10.925 250 HG3 GLN 32 HG1 GLN 32 73.751 11.341 -12.532 251 HE21 GLN 32 HE21 GLN 32 71.235 11.345 -12.660 252 HE22 GLN 32 HE22 GLN 32 70.494 9.914 -13.190 253 H ARG 33 HN ARG 33 76.445 11.217 -12.120 254 HA ARG 33 HA ARG 33 77.112 12.837 -14.535 255 HE ARG 33 HE ARG 33 72.378 14.170 -14.692 256 HB2 ARG 33 HB2 ARG 33 75.634 13.737 -12.060 257 HB3 ARG 33 HB1 ARG 33 76.552 14.880 -13.041 258 HG2 ARG 33 HG2 ARG 33 75.253 14.136 -15.044 259 HG3 ARG 33 HG1 ARG 33 74.274 13.116 -13.989 260 HD2 ARG 33 HD2 ARG 33 73.873 15.297 -12.629 261 HD3 ARG 33 HD1 ARG 33 74.429 16.124 -14.084 262 HH11 ARG 33 HH21 ARG 33 73.034 17.318 -13.449 263 HH12 ARG 33 HH22 ARG 33 71.489 17.962 -13.895 264 HH21 ARG 33 HH11 ARG 33 70.356 14.992 -15.282 265 HH22 ARG 33 HH12 ARG 33 69.973 16.645 -14.933 266 H GLN 34 HN GLN 34 77.934 11.613 -11.422 267 HA GLN 34 HA GLN 34 80.667 12.638 -11.741 268 HB2 GLN 34 HB2 GLN 34 78.758 13.947 -9.996 269 HB3 GLN 34 HB1 GLN 34 80.073 13.264 -9.041 270 HG2 GLN 34 HG2 GLN 34 80.537 14.940 -11.520 271 HG3 GLN 34 HG1 GLN 34 80.479 15.623 -9.894 272 HE21 GLN 34 HE21 GLN 34 82.845 15.469 -11.725 273 HE22 GLN 34 HE22 GLN 34 84.023 14.587 -10.879 274 H THR 35 HN THR 35 81.668 10.683 -11.557 275 HA THR 35 HA THR 35 80.731 8.747 -9.516 276 HB THR 35 HB THR 35 82.932 7.606 -10.734 277 HG1 THR 35 HG1 THR 35 82.676 8.122 -12.942 278 HG21 THR 35 HG21 THR 35 80.735 6.555 -10.424 279 HG22 THR 35 HG22 THR 35 81.265 6.380 -12.097 280 HG23 THR 35 HG23 THR 35 80.051 7.589 -11.679 281 H ARG 36 HN ARG 36 81.467 10.371 -7.832 282 HA ARG 36 HA ARG 36 84.154 11.135 -7.440 283 HE ARG 36 HE ARG 36 80.228 11.186 -3.990 284 HB2 ARG 36 HB2 ARG 36 82.103 10.410 -5.324 285 HB3 ARG 36 HB1 ARG 36 83.566 11.359 -5.055 286 HG2 ARG 36 HG2 ARG 36 82.778 13.152 -6.405 287 HG3 ARG 36 HG1 ARG 36 81.489 12.166 -7.096 288 HD2 ARG 36 HD2 ARG 36 81.689 13.025 -4.194 289 HD3 ARG 36 HD1 ARG 36 80.589 13.704 -5.394 290 HH11 ARG 36 HH21 ARG 36 79.695 12.950 -6.904 291 HH12 ARG 36 HH22 ARG 36 78.287 12.046 -7.351 292 HH21 ARG 36 HH11 ARG 36 78.393 9.995 -4.556 293 HH22 ARG 36 HH12 ARG 36 77.550 10.373 -6.021 294 H GLN 37 HN GLN 37 85.405 9.262 -8.131 295 HA GLN 37 HA GLN 37 85.219 6.714 -6.812 296 HB2 GLN 37 HB2 GLN 37 87.586 6.420 -7.724 297 HB3 GLN 37 HB1 GLN 37 86.345 6.784 -8.924 298 HG2 GLN 37 HG2 GLN 37 86.991 9.113 -8.984 299 HG3 GLN 37 HG1 GLN 37 88.099 8.889 -7.630 300 HE21 GLN 37 HE21 GLN 37 89.453 6.553 -8.330 301 HE22 GLN 37 HE22 GLN 37 90.290 6.780 -9.789 302 H1U RCY 38 H1U RCY 38 86.751 3.471 -1.117 303 H1S RCY 38 H1S RCY 38 84.034 7.367 -1.268 304 HB1 RCY 38 HB1 RCY 38 87.008 8.995 -1.778 305 HB2 RCY 38 HB2 RCY 38 86.938 7.511 -2.727 306 HA RCY 38 HA RCY 38 87.346 10.341 -3.702 307 HN1 RCY 38 HN1 RCY 38 86.102 9.669 -5.582 308 H LYS 39 HN LYS 39 89.247 9.411 -2.161 309 HA LYS 39 HA LYS 39 91.436 8.806 -3.984 310 HB2 LYS 39 HB2 LYS 39 91.325 8.992 -0.958 311 HB3 LYS 39 HB1 LYS 39 92.810 8.796 -1.890 312 HG2 LYS 39 HG2 LYS 39 92.494 10.913 -2.990 313 HG3 LYS 39 HG1 LYS 39 90.866 11.075 -2.330 314 HD2 LYS 39 HD2 LYS 39 91.844 11.118 -0.033 315 HD3 LYS 39 HD1 LYS 39 93.455 11.085 -0.752 316 HE2 LYS 39 HE2 LYS 39 91.357 13.218 -1.254 317 HE3 LYS 39 HE1 LYS 39 92.762 13.397 -0.202 318 HZ1 LYS 39 HZ1 LYS 39 94.204 13.048 -2.080 319 HZ2 LYS 39 HZ2 LYS 39 93.129 14.317 -2.427 320 HZ3 LYS 39 HZ3 LYS 39 92.879 12.779 -3.104 321 H SER 40 HN SER 40 90.295 7.101 -1.041 322 HA SER 40 HA SER 40 90.082 4.544 -2.281 323 HG SER 40 HG SER 40 93.094 2.935 -1.091 324 HB2 SER 40 HB2 SER 40 92.406 4.426 -2.624 325 HB3 SER 40 HB1 SER 40 92.766 5.255 -1.113 326 H LYS 41 HN LYS 41 91.852 4.972 0.738 327 HA LYS 41 HA LYS 41 89.386 4.119 2.212 328 HB2 LYS 41 HB2 LYS 41 92.306 3.483 2.588 329 HB3 LYS 41 HB1 LYS 41 91.180 3.352 3.939 330 HG2 LYS 41 HG2 LYS 41 89.793 1.784 2.688 331 HG3 LYS 41 HG1 LYS 41 90.810 1.978 1.260 332 HD2 LYS 41 HD2 LYS 41 92.650 0.888 2.285 333 HD3 LYS 41 HD1 LYS 41 91.949 1.043 3.896 334 HE2 LYS 41 HE2 LYS 41 90.089 -0.471 3.178 335 HE3 LYS 41 HE1 LYS 41 90.920 -0.703 1.640 336 HZ1 LYS 41 HZ1 LYS 41 92.126 -2.270 2.601 337 HZ2 LYS 41 HZ2 LYS 41 91.392 -1.978 4.105 338 HZ3 LYS 41 HZ3 LYS 41 92.787 -1.118 3.656 339 HA PRO 42 HA PRO 42 90.516 8.342 3.748 340 HB2 PRO 42 HB2 PRO 42 87.945 9.262 3.970 341 HB3 PRO 42 HB1 PRO 42 88.882 9.345 2.465 342 HG2 PRO 42 HG2 PRO 42 86.755 7.434 3.267 343 HG3 PRO 42 HG1 PRO 42 87.104 8.139 1.681 344 HD2 PRO 42 HD2 PRO 42 87.820 5.574 2.416 345 HD3 PRO 42 HD1 PRO 42 88.649 6.513 1.156 346 HA PRO 43 HA PRO 43 89.896 7.500 8.038 347 HB2 PRO 43 HB2 PRO 43 89.401 10.026 9.052 348 HB3 PRO 43 HB1 PRO 43 91.010 9.423 8.613 349 HG2 PRO 43 HG2 PRO 43 89.176 11.193 7.080 350 HG3 PRO 43 HG1 PRO 43 90.939 11.259 7.243 351 HD2 PRO 43 HD2 PRO 43 89.734 10.257 5.021 352 HD3 PRO 43 HD1 PRO 43 91.289 9.633 5.617 353 H LYS 44 HN LYS 44 88.217 6.923 9.414 354 HA LYS 44 HA LYS 44 85.501 7.221 8.464 355 HB2 LYS 44 HB2 LYS 44 86.826 6.001 10.862 356 HB3 LYS 44 HB1 LYS 44 85.092 6.304 10.941 357 HG2 LYS 44 HG2 LYS 44 85.970 5.057 8.418 358 HG3 LYS 44 HG1 LYS 44 86.234 4.052 9.843 359 HD2 LYS 44 HD2 LYS 44 84.008 3.601 8.965 360 HD3 LYS 44 HD1 LYS 44 83.853 4.449 10.505 361 HE2 LYS 44 HE2 LYS 44 82.335 5.379 8.766 362 HE3 LYS 44 HE1 LYS 44 83.502 6.570 9.338 363 HZ1 LYS 44 HZ1 LYS 44 84.916 5.910 7.409 364 HZ2 LYS 44 HZ2 LYS 44 83.467 6.691 6.991 365 HZ3 LYS 44 HZ3 LYS 44 83.606 5.006 6.822 366 H LYS 45 HN LYS 45 86.557 8.048 11.766 367 HA LYS 45 HA LYS 45 86.185 9.997 13.025 368 HB2 LYS 45 HB2 LYS 45 86.808 11.000 10.609 369 HB3 LYS 45 HB1 LYS 45 85.121 11.506 10.674 370 HG2 LYS 45 HG2 LYS 45 85.525 12.584 12.858 371 HG3 LYS 45 HG1 LYS 45 87.215 12.083 12.792 372 HD2 LYS 45 HD2 LYS 45 87.255 13.318 10.501 373 HD3 LYS 45 HD1 LYS 45 85.783 14.102 11.077 374 HE2 LYS 45 HE2 LYS 45 88.576 14.295 12.155 375 HE3 LYS 45 HE1 LYS 45 87.404 15.579 11.858 376 HZ1 LYS 45 HZ1 LYS 45 87.621 13.746 14.133 377 HZ2 LYS 45 HZ2 LYS 45 86.075 14.285 13.680 378 HZ3 LYS 45 HZ3 LYS 45 87.275 15.407 14.113 379 H GLY 46 HN GLY 46 83.696 9.734 10.455 380 HA2 GLY 46 HA2 GLY 46 81.582 10.492 12.320 381 HA3 GLY 46 HA1 GLY 46 81.351 9.970 10.651 382 H VAL 47 HN VAL 47 81.010 9.042 13.876 383 HA VAL 47 HA VAL 47 81.461 6.223 13.718 384 HB VAL 47 HB VAL 47 79.285 7.454 15.406 385 HG11 VAL 47 HG11 VAL 47 81.375 5.388 16.117 386 HG12 VAL 47 HG12 VAL 47 79.848 4.951 15.351 387 HG13 VAL 47 HG13 VAL 47 79.850 5.720 16.939 388 HG21 VAL 47 HG21 VAL 47 82.281 7.761 15.661 389 HG22 VAL 47 HG22 VAL 47 81.220 7.864 17.067 390 HG23 VAL 47 HG23 VAL 47 81.043 9.015 15.743 391 H GLN 48 HN GLN 48 78.418 8.088 13.388 392 HA GLN 48 HA GLN 48 77.448 6.026 11.483 393 HB2 GLN 48 HB2 GLN 48 76.103 6.798 14.078 394 HB3 GLN 48 HB1 GLN 48 75.194 6.120 12.727 395 HG2 GLN 48 HG2 GLN 48 76.541 4.108 12.747 396 HG3 GLN 48 HG1 GLN 48 77.631 4.797 13.951 397 HE21 GLN 48 HE21 GLN 48 77.130 4.335 16.104 398 HE22 GLN 48 HE22 GLN 48 75.624 3.773 16.649 399 H GLY 49 HN GLY 49 78.184 9.075 11.777 400 HA2 GLY 49 HA2 GLY 49 75.801 10.558 11.223 401 HA3 GLY 49 HA1 GLY 49 77.434 11.070 10.792 402 H1U RCY 50 H1U RCY 50 76.913 5.289 7.143 403 H1S RCY 50 H1S RCY 50 73.215 7.988 7.130 404 HB1 RCY 50 HB1 RCY 50 74.967 10.928 5.497 405 HB2 RCY 50 HB2 RCY 50 75.035 12.112 6.801 406 HA RCY 50 HA RCY 50 76.607 9.519 6.730 407 HN1 RCY 50 HN1 RCY 50 77.193 11.674 8.661 408 H GLY 51 HN GLY 51 78.379 12.157 7.706 409 HA2 GLY 51 HA2 GLY 51 80.226 13.179 6.645 410 HA3 GLY 51 HA1 GLY 51 79.881 12.214 5.208 411 H ASP 52 HN ASP 52 80.323 15.241 5.790 412 HA ASP 52 HA ASP 52 79.396 17.288 5.084 413 HB2 ASP 52 HB2 ASP 52 78.996 17.331 2.775 414 HB3 ASP 52 HB1 ASP 52 79.979 15.879 2.954 415 H ASP 53 HN ASP 53 77.633 15.388 6.693 416 HA ASP 53 HA ASP 53 75.471 15.596 7.591 417 HB2 ASP 53 HB2 ASP 53 75.891 18.082 6.707 418 HB3 ASP 53 HB1 ASP 53 74.660 17.616 5.533 419 H ILE 54 HN ILE 54 73.441 14.642 7.104 420 HA ILE 54 HA ILE 54 73.310 12.695 5.138 421 HB ILE 54 HB ILE 54 70.712 14.023 5.669 422 HG12 ILE 54 HG12 ILE 54 72.517 13.012 7.886 423 HG13 ILE 54 HG11 ILE 54 71.824 14.627 7.735 424 HG21 ILE 54 HG21 ILE 54 70.011 11.781 6.087 425 HG22 ILE 54 HG22 ILE 54 71.666 11.241 6.374 426 HG23 ILE 54 HG23 ILE 54 71.149 11.674 4.744 427 HD11 ILE 54 HD11 ILE 54 70.440 13.482 9.306 428 HD12 ILE 54 HD12 ILE 54 70.377 12.033 8.302 429 HD13 ILE 54 HD13 ILE 54 69.532 13.495 7.794 430 HA PRO 55 HA PRO 55 72.862 15.526 1.611 431 HB2 PRO 55 HB2 PRO 55 73.863 13.894 -0.287 432 HB3 PRO 55 HB1 PRO 55 74.912 14.685 0.907 433 HG2 PRO 55 HG2 PRO 55 73.943 11.877 0.821 434 HG3 PRO 55 HG1 PRO 55 75.516 12.515 1.322 435 HD2 PRO 55 HD2 PRO 55 73.456 11.779 3.065 436 HD3 PRO 55 HD1 PRO 55 74.823 12.834 3.485 437 H GLY 56 HN GLY 56 71.888 12.085 1.458 438 HA2 GLY 56 HA2 GLY 56 69.416 12.964 0.030 439 HA3 GLY 56 HA1 GLY 56 70.334 11.580 -0.564 440 H MET 57 HN MET 57 67.849 12.547 1.514 441 HA MET 57 HA MET 57 67.870 9.862 2.848 442 HB2 MET 57 HB2 MET 57 66.515 11.110 4.669 443 HB3 MET 57 HB1 MET 57 68.256 11.383 4.617 444 HG2 MET 57 HG2 MET 57 66.362 13.167 3.093 445 HG3 MET 57 HG1 MET 57 66.714 13.461 4.796 446 HE1 MET 57 HE1 MET 57 67.416 15.849 3.790 447 HE2 MET 57 HE2 MET 57 69.146 16.091 4.023 448 HE3 MET 57 HE3 MET 57 68.199 15.282 5.270 449 H GLU 58 HN GLU 58 66.650 10.070 0.407 450 HA GLU 58 HA GLU 58 63.790 9.798 1.150 451 HB2 GLU 58 HB2 GLU 58 64.535 11.324 -1.344 452 HB3 GLU 58 HB1 GLU 58 62.981 11.264 -0.514 453 HG2 GLU 58 HG2 GLU 58 63.995 12.451 1.422 454 HG3 GLU 58 HG1 GLU 58 65.513 12.568 0.530 455 H GLY 59 HN GLY 59 66.515 8.966 -0.804 456 HA2 GLY 59 HA2 GLY 59 64.989 7.405 -2.753 457 HA3 GLY 59 HA1 GLY 59 66.746 7.421 -2.587 458 H1U RCY 60 H1U RCY 60 71.001 2.070 -0.722 459 H1S RCY 60 H1S RCY 60 68.343 3.779 -3.411 460 HB1 RCY 60 HB1 RCY 60 65.050 1.999 -1.528 461 HB2 RCY 60 HB2 RCY 60 66.413 2.796 -0.743 462 HA RCY 60 HA RCY 60 63.590 3.597 -0.842 463 HN1 RCY 60 HN1 RCY 60 64.009 5.544 -2.103 464 H GLY 61 HN GLY 61 64.662 6.123 0.574 465 HA2 GLY 61 HA2 GLY 61 66.334 5.614 2.717 466 HA3 GLY 61 HA1 GLY 61 64.916 6.654 2.857 467 H THR 62 HN THR 62 62.782 5.119 2.848 468 HA THR 62 HA THR 62 62.535 3.941 5.331 469 HB THR 62 HB THR 62 60.698 4.325 3.630 470 HG1 THR 62 HG1 THR 62 60.203 1.769 4.366 471 HG21 THR 62 HG21 THR 62 60.271 2.726 1.946 472 HG22 THR 62 HG22 THR 62 61.363 1.545 2.671 473 HG23 THR 62 HG23 THR 62 62.016 2.972 1.865 474 H ASP 63 HN ASP 63 63.611 2.294 2.356 475 HA ASP 63 HA ASP 63 63.845 -0.309 3.498 476 HB2 ASP 63 HB2 ASP 63 63.971 0.287 1.033 477 HB3 ASP 63 HB1 ASP 63 65.621 0.835 1.328 478 H ILE 64 HN ILE 64 65.302 2.369 4.618 479 HA ILE 64 HA ILE 64 67.417 0.839 5.943 480 HB ILE 64 HB ILE 64 68.732 1.388 4.034 481 HG12 ILE 64 HG12 ILE 64 69.159 3.707 5.943 482 HG13 ILE 64 HG11 ILE 64 69.725 2.065 6.252 483 HG21 ILE 64 HG21 ILE 64 67.675 4.224 4.190 484 HG22 ILE 64 HG22 ILE 64 67.005 2.991 3.121 485 HG23 ILE 64 HG23 ILE 64 68.673 3.527 2.914 486 HD11 ILE 64 HD11 ILE 64 71.613 2.817 5.203 487 HD12 ILE 64 HD12 ILE 64 70.749 4.090 4.340 488 HD13 ILE 64 HD13 ILE 64 70.696 2.429 3.747 489 H THR 65 HN THR 65 66.376 4.141 5.238 490 HA THR 65 HA THR 65 65.773 5.904 6.665 491 HB THR 65 HB THR 65 65.846 4.037 9.022 492 HG1 THR 65 HG1 THR 65 63.869 4.112 6.989 493 HG21 THR 65 HG21 THR 65 64.069 5.400 9.812 494 HG22 THR 65 HG22 THR 65 63.758 6.060 8.207 495 HG23 THR 65 HG23 THR 65 65.215 6.526 9.085 496 H VAL 66 HN VAL 66 67.968 3.683 8.413 497 HA VAL 66 HA VAL 66 69.995 5.831 8.551 498 HB VAL 66 HB VAL 66 69.986 4.744 11.154 499 HG11 VAL 66 HG11 VAL 66 69.479 7.020 11.825 500 HG12 VAL 66 HG12 VAL 66 68.784 7.374 10.244 501 HG13 VAL 66 HG13 VAL 66 70.516 7.082 10.401 502 HG21 VAL 66 HG21 VAL 66 67.661 3.938 10.610 503 HG22 VAL 66 HG22 VAL 66 67.189 5.620 10.371 504 HG23 VAL 66 HG23 VAL 66 67.721 5.070 11.960 505 H ILE 67 HN ILE 67 69.161 2.569 9.738 506 HA ILE 67 HA ILE 67 71.739 1.593 8.599 507 HB ILE 67 HB ILE 67 70.640 1.011 11.363 508 HG12 ILE 67 HG12 ILE 67 73.434 1.820 10.538 509 HG13 ILE 67 HG11 ILE 67 72.183 3.015 10.883 510 HG21 ILE 67 HG21 ILE 67 72.717 -0.543 11.412 511 HG22 ILE 67 HG22 ILE 67 72.621 -0.487 9.652 512 HG23 ILE 67 HG23 ILE 67 71.271 -1.127 10.588 513 HD11 ILE 67 HD11 ILE 67 73.503 2.595 12.903 514 HD12 ILE 67 HD12 ILE 67 73.171 0.867 12.782 515 HD13 ILE 67 HD13 ILE 67 71.859 1.995 13.127 516 H1U RCY 68 H1U RCY 68 72.197 0.409 -0.981 517 H1S RCY 68 H1S RCY 68 72.224 -0.586 3.169 518 HB1 RCY 68 HB1 RCY 68 68.583 -0.555 4.870 519 HB2 RCY 68 HB2 RCY 68 69.619 -1.977 4.931 520 HA RCY 68 HA RCY 68 68.270 -0.887 7.095 521 HN1 RCY 68 HN1 RCY 68 70.698 0.613 6.884 522 HA PRO 69 HA PRO 69 70.249 -4.276 9.319 523 HB2 PRO 69 HB2 PRO 69 67.984 -5.864 9.478 524 HB3 PRO 69 HB1 PRO 69 68.378 -4.562 10.614 525 HG2 PRO 69 HG2 PRO 69 66.483 -4.567 8.332 526 HG3 PRO 69 HG1 PRO 69 66.365 -3.753 9.899 527 HD2 PRO 69 HD2 PRO 69 67.034 -2.443 7.587 528 HD3 PRO 69 HD1 PRO 69 67.590 -1.921 9.192 529 H TRP 70 HN TRP 70 69.053 -4.181 6.199 530 HA TRP 70 HA TRP 70 69.319 -7.024 5.576 531 HD1 TRP 70 HD1 TRP 70 69.862 -8.194 3.518 532 HE1 TRP 70 HE1 TRP 70 70.679 -8.520 1.096 533 HE3 TRP 70 HE3 TRP 70 68.830 -3.572 1.610 534 HZ2 TRP 70 HZ2 TRP 70 70.871 -7.017 -1.335 535 HZ3 TRP 70 HZ3 TRP 70 69.338 -3.046 -0.755 536 HH2 TRP 70 HH2 TRP 70 70.355 -4.758 -2.229 537 HB2 TRP 70 HB2 TRP 70 67.786 -5.905 4.178 538 HB3 TRP 70 HB1 TRP 70 68.844 -4.512 3.977 539 H GLU 71 HN GLU 71 71.434 -4.276 5.825 540 HA GLU 71 HA GLU 71 73.708 -5.999 5.140 541 HB2 GLU 71 HB2 GLU 71 72.989 -3.601 3.428 542 HB3 GLU 71 HB1 GLU 71 74.586 -4.348 3.433 543 HG2 GLU 71 HG2 GLU 71 73.372 -6.561 2.940 544 HG3 GLU 71 HG1 GLU 71 71.962 -5.568 2.567 545 H ALA 72 HN ALA 72 72.866 -4.593 7.517 546 HA ALA 72 HA ALA 72 74.184 -2.105 7.903 547 HB1 ALA 72 HB1 ALA 72 73.837 -4.328 9.942 548 HB2 ALA 72 HB2 ALA 72 72.595 -3.144 9.533 549 HB3 ALA 72 HB3 ALA 72 74.099 -2.619 10.291 550 H1U RCY 73 H1U RCY 73 74.920 -1.158 5.497 551 H1S RCY 73 H1S RCY 73 75.819 -1.080 9.418 552 HB1 RCY 73 HB1 RCY 73 79.071 -0.999 8.300 553 HB2 RCY 73 HB2 RCY 73 79.779 -1.963 9.593 554 HA RCY 73 HA RCY 73 78.434 -3.148 7.658 555 HN1 RCY 73 HN1 RCY 73 76.313 -1.646 8.753 556 H ASN 74 HN ASN 74 78.008 -5.374 8.160 557 HA ASN 74 HA ASN 74 77.906 -6.275 10.932 558 HB2 ASN 74 HB2 ASN 74 78.241 -7.742 8.300 559 HB3 ASN 74 HB1 ASN 74 78.163 -8.560 9.860 560 HD21 ASN 74 HD21 ASN 74 76.264 -5.774 10.035 561 HD22 ASN 74 HD22 ASN 74 74.757 -6.470 9.682 562 H HIS 75 HN HIS 75 79.876 -5.371 11.801 563 HA HIS 75 HA HIS 75 82.174 -5.361 12.297 564 HD1 HIS 75 HD1 HIS 75 84.421 -8.674 10.832 565 HD2 HIS 75 HD2 HIS 75 83.866 -6.568 14.390 566 HE1 HIS 75 HE1 HIS 75 86.690 -8.548 11.951 567 HE2 HIS 75 HE2 HIS 75 86.366 -7.268 14.118 568 HB2 HIS 75 HB2 HIS 75 81.561 -7.705 12.920 569 HB3 HIS 75 HB1 HIS 75 81.989 -8.216 11.287 570 H1U RCY 76 H1U RCY 76 80.670 -6.129 3.040 571 H1S RCY 76 H1S RCY 76 84.461 -3.667 4.700 572 HB1 RCY 76 HB1 RCY 76 84.886 -4.900 8.450 573 HB2 RCY 76 HB2 RCY 76 83.925 -3.617 9.184 574 HA RCY 76 HA RCY 76 82.151 -4.417 7.345 575 HN1 RCY 76 HN1 RCY 76 81.120 -5.031 9.361 576 H GLU 77 HN GLU 77 82.724 -5.581 5.520 577 HA GLU 77 HA GLU 77 82.615 -8.386 5.537 578 HB2 GLU 77 HB2 GLU 77 83.774 -6.424 3.559 579 HB3 GLU 77 HB1 GLU 77 83.797 -8.160 3.251 580 HG2 GLU 77 HG2 GLU 77 81.261 -6.699 4.006 581 HG3 GLU 77 HG1 GLU 77 81.780 -6.873 2.329 582 H LEU 78 HN LEU 78 85.559 -7.284 4.058 583 HA LEU 78 HA LEU 78 87.315 -8.089 6.231 584 HG LEU 78 HG LEU 78 89.234 -9.588 5.631 585 HB2 LEU 78 HB2 LEU 78 86.338 -10.268 5.230 586 HB3 LEU 78 HB1 LEU 78 87.329 -9.906 3.819 587 HD11 LEU 78 HD11 LEU 78 88.905 -11.265 7.478 588 HD12 LEU 78 HD12 LEU 78 87.215 -11.396 6.991 589 HD13 LEU 78 HD13 LEU 78 87.843 -9.863 7.598 590 HD21 LEU 78 HD21 LEU 78 89.386 -11.251 3.890 591 HD22 LEU 78 HD22 LEU 78 88.135 -12.236 4.648 592 HD23 LEU 78 HD23 LEU 78 89.712 -12.069 5.418 593 H HIS 79 HN HIS 79 87.619 -8.492 2.691 594 HA HIS 79 HA HIS 79 89.942 -6.628 2.768 595 HD1 HIS 79 HD1 HIS 79 92.083 -7.160 2.506 596 HD2 HIS 79 HD2 HIS 79 90.545 -10.947 1.675 597 HE1 HIS 79 HE1 HIS 79 93.721 -8.827 3.481 598 HE2 HIS 79 HE2 HIS 79 92.797 -11.136 2.982 599 HB2 HIS 79 HB2 HIS 79 89.026 -8.786 0.878 600 HB3 HIS 79 HB1 HIS 79 90.149 -7.546 0.321 601 H GLU 80 HN GLU 80 89.983 -5.681 0.191 602 HA GLU 80 HA GLU 80 87.514 -3.993 0.109 603 HB2 GLU 80 HB2 GLU 80 89.159 -2.655 -1.520 604 HB3 GLU 80 HB1 GLU 80 89.236 -2.447 0.228 605 HG2 GLU 80 HG2 GLU 80 90.835 -4.684 -0.915 606 HG3 GLU 80 HG1 GLU 80 91.411 -3.049 -1.247 607 H LEU 81 HN LEU 81 89.383 -6.343 -1.595 608 HA LEU 81 HA LEU 81 88.060 -5.830 -4.185 609 HG LEU 81 HG LEU 81 89.985 -6.208 -5.819 610 HB2 LEU 81 HB2 LEU 81 90.217 -7.643 -3.166 611 HB3 LEU 81 HB1 LEU 81 89.335 -8.148 -4.604 612 HD11 LEU 81 HD11 LEU 81 90.604 -5.130 -3.083 613 HD12 LEU 81 HD12 LEU 81 89.664 -4.395 -4.382 614 HD13 LEU 81 HD13 LEU 81 91.423 -4.452 -4.490 615 HD21 LEU 81 HD21 LEU 81 91.800 -7.925 -5.378 616 HD22 LEU 81 HD22 LEU 81 92.397 -6.862 -4.103 617 HD23 LEU 81 HD23 LEU 81 92.394 -6.313 -5.779 618 H ALA 82 HN ALA 82 88.000 -8.191 -1.546 619 HA ALA 82 HA ALA 82 86.197 -10.043 -2.756 620 HB1 ALA 82 HB1 ALA 82 86.733 -9.348 0.142 621 HB2 ALA 82 HB2 ALA 82 87.393 -10.702 -0.775 622 HB3 ALA 82 HB3 ALA 82 85.681 -10.674 -0.354 623 H GLN 83 HN GLN 83 84.721 -9.069 0.110 624 HA GLN 83 HA GLN 83 82.581 -8.190 0.517 625 HB2 GLN 83 HB2 GLN 83 83.384 -6.269 -1.692 626 HB3 GLN 83 HB1 GLN 83 82.132 -6.004 -0.478 627 HG2 GLN 83 HG2 GLN 83 84.075 -6.453 1.230 628 HG3 GLN 83 HG1 GLN 83 85.118 -6.048 -0.134 629 HE21 GLN 83 HE21 GLN 83 84.753 -4.419 2.311 630 HE22 GLN 83 HE22 GLN 83 84.122 -2.928 1.803 631 H TYR 84 HN TYR 84 81.999 -10.345 -0.652 632 HA TYR 84 HA TYR 84 80.345 -11.377 -1.972 633 HD1 TYR 84 HD2 TYR 84 78.678 -10.424 -4.997 634 HD2 TYR 84 HD1 TYR 84 77.577 -10.406 -0.845 635 HE1 TYR 84 HE2 TYR 84 76.672 -11.784 -5.523 636 HE2 TYR 84 HE1 TYR 84 75.571 -11.766 -1.371 637 HH TYR 84 HH TYR 84 75.143 -13.542 -3.805 638 HB2 TYR 84 HB2 TYR 84 79.301 -8.930 -1.667 639 HB3 TYR 84 HB1 TYR 84 79.678 -8.823 -3.386 640 H GLY 85 HN GLY 85 82.189 -8.818 -3.641 641 HA2 GLY 85 HA2 GLY 85 83.892 -9.581 -5.304 642 HA3 GLY 85 HA1 GLY 85 82.721 -10.791 -5.830 643 H ILE 86 HN ILE 86 82.439 -7.274 -5.197 644 HA ILE 86 HA ILE 86 81.788 -6.857 -8.056 645 HB ILE 86 HB ILE 86 79.632 -7.372 -6.858 646 HG12 ILE 86 HG12 ILE 86 79.903 -4.511 -7.835 647 HG13 ILE 86 HG11 ILE 86 79.752 -5.917 -8.890 648 HG21 ILE 86 HG21 ILE 86 80.065 -4.703 -5.503 649 HG22 ILE 86 HG22 ILE 86 80.449 -6.233 -4.713 650 HG23 ILE 86 HG23 ILE 86 78.789 -5.882 -5.197 651 HD11 ILE 86 HD11 ILE 86 77.576 -6.460 -7.857 652 HD12 ILE 86 HD12 ILE 86 77.560 -4.839 -8.552 653 HD13 ILE 86 HD13 ILE 86 77.723 -5.049 -6.809 654 H1U RCY 87 H1U RCY 87 88.457 1.370 -1.863 655 H1S RCY 87 H1S RCY 87 85.993 -1.812 -2.368 656 HB1 RCY 87 HB1 RCY 87 85.189 -4.030 -3.922 657 HB2 RCY 87 HB2 RCY 87 83.527 -4.365 -3.436 658 HA RCY 87 HA RCY 87 83.065 -2.954 -5.703 659 HN1 RCY 87 HN1 RCY 87 83.173 -5.822 -5.150 Start of MODEL 40 1 HA MET 1 HA MET 1 51.893 7.440 9.296 2 HB2 MET 1 HB2 MET 1 50.360 5.316 9.434 3 HB3 MET 1 HB1 MET 1 49.808 6.821 10.170 4 HG2 MET 1 HG2 MET 1 48.350 7.300 8.359 5 HG3 MET 1 HG1 MET 1 49.123 6.106 7.317 6 HE1 MET 1 HE1 MET 1 47.680 6.262 10.983 7 HE2 MET 1 HE2 MET 1 46.129 5.472 10.710 8 HE3 MET 1 HE3 MET 1 46.517 6.959 9.848 9 H ASN 2 HN ASN 2 53.677 6.977 7.975 10 HA ASN 2 HA ASN 2 54.982 5.773 6.437 11 HB2 ASN 2 HB2 ASN 2 52.946 3.659 7.206 12 HB3 ASN 2 HB1 ASN 2 54.443 3.334 6.331 13 HD21 ASN 2 HD21 ASN 2 56.508 3.786 7.501 14 HD22 ASN 2 HD22 ASN 2 56.529 3.792 9.198 15 H LEU 3 HN LEU 3 54.331 7.063 4.597 16 HA LEU 3 HA LEU 3 52.027 6.782 3.045 17 HG LEU 3 HG LEU 3 53.587 8.585 0.277 18 HB2 LEU 3 HB2 LEU 3 53.913 8.436 2.684 19 HB3 LEU 3 HB1 LEU 3 54.826 7.139 1.924 20 HD11 LEU 3 HD11 LEU 3 54.048 5.954 0.163 21 HD12 LEU 3 HD12 LEU 3 53.145 6.787 -1.103 22 HD13 LEU 3 HD13 LEU 3 52.285 5.898 0.154 23 HD21 LEU 3 HD21 LEU 3 51.269 8.763 0.292 24 HD22 LEU 3 HD22 LEU 3 51.590 8.682 2.024 25 HD23 LEU 3 HD23 LEU 3 51.055 7.242 1.158 26 H GLU 4 HN GLU 4 55.122 5.084 2.399 27 HA GLU 4 HA GLU 4 54.222 3.332 0.428 28 HB2 GLU 4 HB2 GLU 4 55.939 1.690 1.544 29 HB3 GLU 4 HB1 GLU 4 56.519 3.205 0.851 30 HG2 GLU 4 HG2 GLU 4 56.598 4.261 3.007 31 HG3 GLU 4 HG1 GLU 4 55.740 2.916 3.762 32 HA PRO 5 HA PRO 5 50.817 1.249 2.535 33 HB2 PRO 5 HB2 PRO 5 51.633 -0.867 0.568 34 HB3 PRO 5 HB1 PRO 5 50.010 -0.270 0.968 35 HG2 PRO 5 HG2 PRO 5 51.278 0.502 -1.248 36 HG3 PRO 5 HG1 PRO 5 50.236 1.608 -0.338 37 HD2 PRO 5 HD2 PRO 5 53.197 1.594 -0.571 38 HD3 PRO 5 HD1 PRO 5 52.102 2.939 -0.183 39 HA PRO 6 HA PRO 6 53.006 -1.432 5.331 40 HB2 PRO 6 HB2 PRO 6 50.948 -2.872 6.382 41 HB3 PRO 6 HB1 PRO 6 51.196 -1.153 6.748 42 HG2 PRO 6 HG2 PRO 6 49.294 -2.415 4.836 43 HG3 PRO 6 HG1 PRO 6 49.049 -1.049 5.938 44 HD2 PRO 6 HD2 PRO 6 49.545 -0.744 3.252 45 HD3 PRO 6 HD1 PRO 6 49.982 0.474 4.471 46 H LYS 7 HN LYS 7 53.664 -3.668 5.642 47 HA LYS 7 HA LYS 7 52.519 -5.859 4.182 48 HB2 LYS 7 HB2 LYS 7 54.425 -6.165 2.562 49 HB3 LYS 7 HB1 LYS 7 53.397 -4.777 2.203 50 HG2 LYS 7 HG2 LYS 7 54.993 -3.264 3.252 51 HG3 LYS 7 HG1 LYS 7 55.992 -4.624 3.765 52 HD2 LYS 7 HD2 LYS 7 57.095 -3.997 1.820 53 HD3 LYS 7 HD1 LYS 7 55.974 -5.201 1.183 54 HE2 LYS 7 HE2 LYS 7 55.714 -3.354 -0.271 55 HE3 LYS 7 HE1 LYS 7 54.348 -3.223 0.836 56 HZ1 LYS 7 HZ1 LYS 7 56.724 -1.918 1.788 57 HZ2 LYS 7 HZ2 LYS 7 55.131 -1.337 1.689 58 HZ3 LYS 7 HZ3 LYS 7 56.149 -1.267 0.331 59 H ALA 8 HN ALA 8 53.632 -5.190 6.821 60 HA ALA 8 HA ALA 8 56.192 -6.258 7.305 61 HB1 ALA 8 HB1 ALA 8 55.288 -6.833 9.587 62 HB2 ALA 8 HB2 ALA 8 53.685 -6.386 9.005 63 HB3 ALA 8 HB3 ALA 8 54.963 -5.173 9.089 64 H GLU 9 HN GLU 9 56.468 -8.067 5.865 65 HA GLU 9 HA GLU 9 55.559 -10.604 7.031 66 HB2 GLU 9 HB2 GLU 9 53.731 -9.821 5.418 67 HB3 GLU 9 HB1 GLU 9 54.909 -10.061 4.127 68 HG2 GLU 9 HG2 GLU 9 55.176 -12.412 4.778 69 HG3 GLU 9 HG1 GLU 9 54.042 -12.185 6.111 70 H1U RCY 10 H1U RCY 10 61.055 -6.662 8.698 71 H1S RCY 10 H1S RCY 10 60.021 -10.161 7.001 72 HB1 RCY 10 HB1 RCY 10 59.871 -13.984 6.110 73 HB2 RCY 10 HB2 RCY 10 58.859 -13.243 7.347 74 HA RCY 10 HA RCY 10 59.538 -11.346 5.234 75 HN1 RCY 10 HN1 RCY 10 57.151 -12.111 6.756 76 H ARG 11 HN ARG 11 56.911 -12.043 3.875 77 HA ARG 11 HA ARG 11 56.883 -14.514 2.602 78 HE ARG 11 HE ARG 11 54.539 -14.933 3.247 79 HB2 ARG 11 HB2 ARG 11 55.305 -12.500 2.271 80 HB3 ARG 11 HB1 ARG 11 56.460 -11.951 1.059 81 HG2 ARG 11 HG2 ARG 11 55.151 -13.227 -0.329 82 HG3 ARG 11 HG1 ARG 11 56.188 -14.521 0.272 83 HD2 ARG 11 HD2 ARG 11 53.521 -13.729 1.481 84 HD3 ARG 11 HD1 ARG 11 53.783 -15.121 0.429 85 HH11 ARG 11 HH21 ARG 11 55.100 -16.372 0.164 86 HH12 ARG 11 HH22 ARG 11 55.810 -17.811 0.817 87 HH21 ARG 11 HH11 ARG 11 55.462 -16.804 4.117 88 HH22 ARG 11 HH12 ARG 11 56.015 -18.055 3.055 89 H SER 12 HN SER 12 58.958 -15.357 2.200 90 HA SER 12 HA SER 12 60.163 -14.622 -0.318 91 HG SER 12 HG SER 12 61.705 -12.216 0.027 92 HB2 SER 12 HB2 SER 12 61.520 -13.764 2.241 93 HB3 SER 12 HB1 SER 12 62.426 -14.044 0.756 94 H ALA 13 HN ALA 13 60.895 -16.545 -1.080 95 HA ALA 13 HA ALA 13 62.566 -18.302 0.507 96 HB1 ALA 13 HB1 ALA 13 59.862 -19.433 -0.239 97 HB2 ALA 13 HB2 ALA 13 60.186 -18.752 1.355 98 HB3 ALA 13 HB3 ALA 13 61.095 -20.156 0.794 99 H THR 14 HN THR 14 60.620 -17.710 -2.360 100 HA THR 14 HA THR 14 61.803 -19.861 -3.917 101 HB THR 14 HB THR 14 60.788 -18.579 -5.859 102 HG1 THR 14 HG1 THR 14 59.216 -17.018 -4.420 103 HG21 THR 14 HG21 THR 14 58.471 -19.054 -5.173 104 HG22 THR 14 HG22 THR 14 58.987 -19.151 -3.489 105 HG23 THR 14 HG23 THR 14 59.555 -20.346 -4.655 106 H ARG 15 HN ARG 15 63.666 -17.992 -2.550 107 HA ARG 15 HA ARG 15 65.595 -16.732 -3.023 108 HE ARG 15 HE ARG 15 68.379 -17.431 -7.053 109 HB2 ARG 15 HB2 ARG 15 65.979 -19.058 -4.077 110 HB3 ARG 15 HB1 ARG 15 65.651 -18.273 -5.622 111 HG2 ARG 15 HG2 ARG 15 67.465 -16.679 -5.239 112 HG3 ARG 15 HG1 ARG 15 67.761 -17.365 -3.641 113 HD2 ARG 15 HD2 ARG 15 69.314 -18.611 -4.764 114 HD3 ARG 15 HD1 ARG 15 67.915 -19.611 -5.156 115 HH11 ARG 15 HH21 ARG 15 69.044 -20.677 -6.101 116 HH12 ARG 15 HH22 ARG 15 69.476 -21.197 -7.696 117 HH21 ARG 15 HH11 ARG 15 68.940 -18.091 -9.141 118 HH22 ARG 15 HH12 ARG 15 69.417 -19.733 -9.417 119 H VAL 16 HN VAL 16 65.913 -16.684 -6.291 120 HA VAL 16 HA VAL 16 65.588 -13.960 -6.683 121 HB VAL 16 HB VAL 16 64.852 -16.062 -8.741 122 HG11 VAL 16 HG11 VAL 16 64.325 -13.734 -9.369 123 HG12 VAL 16 HG12 VAL 16 65.667 -14.356 -10.331 124 HG13 VAL 16 HG13 VAL 16 65.980 -13.256 -8.988 125 HG21 VAL 16 HG21 VAL 16 67.515 -15.045 -7.739 126 HG22 VAL 16 HG22 VAL 16 67.339 -15.733 -9.353 127 HG23 VAL 16 HG23 VAL 16 66.986 -16.716 -7.932 128 H MET 17 HN MET 17 63.783 -12.980 -5.776 129 HA MET 17 HA MET 17 61.100 -14.067 -6.186 130 HB2 MET 17 HB2 MET 17 61.636 -12.865 -4.116 131 HB3 MET 17 HB1 MET 17 62.029 -11.416 -5.042 132 HG2 MET 17 HG2 MET 17 59.775 -11.105 -5.722 133 HG3 MET 17 HG1 MET 17 59.322 -12.741 -5.241 134 HE1 MET 17 HE1 MET 17 61.715 -10.491 -2.913 135 HE2 MET 17 HE2 MET 17 60.503 -9.288 -2.479 136 HE3 MET 17 HE3 MET 17 60.918 -9.539 -4.172 137 H GLY 18 HN GLY 18 62.431 -10.833 -6.977 138 HA2 GLY 18 HA2 GLY 18 62.188 -9.571 -8.955 139 HA3 GLY 18 HA1 GLY 18 61.547 -11.014 -9.743 140 H GLY 19 HN GLY 19 59.609 -10.347 -10.593 141 HA2 GLY 19 HA2 GLY 19 57.444 -9.433 -10.678 142 HA3 GLY 19 HA1 GLY 19 57.305 -10.042 -9.028 143 HA PRO 20 HA PRO 20 56.449 -5.720 -8.041 144 HB2 PRO 20 HB2 PRO 20 57.398 -6.763 -5.390 145 HB3 PRO 20 HB1 PRO 20 55.987 -5.751 -5.761 146 HG2 PRO 20 HG2 PRO 20 55.744 -8.362 -5.281 147 HG3 PRO 20 HG1 PRO 20 54.731 -7.541 -6.479 148 HD2 PRO 20 HD2 PRO 20 56.965 -9.452 -6.913 149 HD3 PRO 20 HD1 PRO 20 55.585 -9.071 -7.966 150 H1U RCY 21 H1U RCY 21 63.232 0.263 -3.918 151 H1S RCY 21 H1S RCY 21 63.640 -4.246 -5.640 152 HB1 RCY 21 HB1 RCY 21 62.519 -7.010 -6.369 153 HB2 RCY 21 HB2 RCY 21 61.106 -7.431 -5.403 154 HA RCY 21 HA RCY 21 60.756 -4.735 -6.249 155 HN1 RCY 21 HN1 RCY 21 59.259 -7.170 -6.337 156 H THR 22 HN THR 22 60.937 -3.717 -8.248 157 HA THR 22 HA THR 22 62.665 -5.091 -10.240 158 HB THR 22 HB THR 22 60.087 -3.663 -10.947 159 HG1 THR 22 HG1 THR 22 59.968 -6.069 -11.793 160 HG21 THR 22 HG21 THR 22 62.241 -5.018 -12.581 161 HG22 THR 22 HG22 THR 22 61.684 -3.349 -12.701 162 HG23 THR 22 HG23 THR 22 60.635 -4.668 -13.220 163 HA PRO 23 HA PRO 23 64.503 -0.987 -9.353 164 HB2 PRO 23 HB2 PRO 23 66.300 -2.028 -11.512 165 HB3 PRO 23 HB1 PRO 23 66.720 -1.267 -9.965 166 HG2 PRO 23 HG2 PRO 23 66.932 -3.897 -10.328 167 HG3 PRO 23 HG1 PRO 23 66.423 -3.211 -8.776 168 HD2 PRO 23 HD2 PRO 23 64.791 -4.634 -10.826 169 HD3 PRO 23 HD1 PRO 23 64.557 -4.532 -9.067 170 H ARG 24 HN ARG 24 65.557 0.608 -11.235 171 HA ARG 24 HA ARG 24 63.349 1.562 -12.742 172 HE ARG 24 HE ARG 24 66.675 4.217 -9.803 173 HB2 ARG 24 HB2 ARG 24 66.292 1.978 -13.357 174 HB3 ARG 24 HB1 ARG 24 64.956 3.010 -13.869 175 HG2 ARG 24 HG2 ARG 24 64.435 3.523 -11.519 176 HG3 ARG 24 HG1 ARG 24 65.754 2.476 -10.992 177 HD2 ARG 24 HD2 ARG 24 67.265 3.950 -12.482 178 HD3 ARG 24 HD1 ARG 24 65.923 5.095 -12.482 179 HH11 ARG 24 HH21 ARG 24 67.266 6.379 -12.423 180 HH12 ARG 24 HH22 ARG 24 67.966 7.609 -11.425 181 HH21 ARG 24 HH11 ARG 24 67.586 5.811 -8.484 182 HH22 ARG 24 HH12 ARG 24 68.148 7.287 -9.195 183 H LYS 25 HN LYS 25 65.879 1.321 -14.964 184 HA LYS 25 HA LYS 25 64.416 -0.844 -16.418 185 HB2 LYS 25 HB2 LYS 25 66.197 0.453 -18.206 186 HB3 LYS 25 HB1 LYS 25 64.443 0.563 -18.183 187 HG2 LYS 25 HG2 LYS 25 66.094 2.241 -16.301 188 HG3 LYS 25 HG1 LYS 25 65.825 2.766 -17.964 189 HD2 LYS 25 HD2 LYS 25 63.341 2.422 -17.552 190 HD3 LYS 25 HD1 LYS 25 63.735 2.215 -15.845 191 HE2 LYS 25 HE2 LYS 25 63.940 4.673 -17.551 192 HE3 LYS 25 HE1 LYS 25 63.303 4.499 -15.915 193 HZ1 LYS 25 HZ1 LYS 25 65.415 5.616 -15.852 194 HZ2 LYS 25 HZ2 LYS 25 66.157 4.360 -16.722 195 HZ3 LYS 25 HZ3 LYS 25 65.580 4.082 -15.148 196 H GLY 26 HN GLY 26 67.532 0.190 -15.183 197 HA2 GLY 26 HA2 GLY 26 69.103 -1.589 -14.511 198 HA3 GLY 26 HA1 GLY 26 68.610 -2.487 -15.940 199 HA PRO 27 HA PRO 27 71.012 0.719 -18.483 200 HB2 PRO 27 HB2 PRO 27 71.213 2.979 -16.532 201 HB3 PRO 27 HB1 PRO 27 70.964 3.026 -18.288 202 HG2 PRO 27 HG2 PRO 27 68.965 3.455 -16.570 203 HG3 PRO 27 HG1 PRO 27 68.712 2.626 -18.114 204 HD2 PRO 27 HD2 PRO 27 68.733 1.495 -15.360 205 HD3 PRO 27 HD1 PRO 27 67.894 0.912 -16.814 206 HA PRO 28 HA PRO 28 74.847 -0.838 -16.752 207 HB2 PRO 28 HB2 PRO 28 75.982 1.413 -18.384 208 HB3 PRO 28 HB1 PRO 28 76.512 -0.278 -18.281 209 HG2 PRO 28 HG2 PRO 28 75.069 0.635 -20.343 210 HG3 PRO 28 HG1 PRO 28 74.890 -1.014 -19.723 211 HD2 PRO 28 HD2 PRO 28 73.012 1.264 -19.523 212 HD3 PRO 28 HD1 PRO 28 72.693 -0.477 -19.362 213 H LYS 29 HN LYS 29 75.880 -0.307 -14.836 214 HA LYS 29 HA LYS 29 76.368 0.975 -12.921 215 HB2 LYS 29 HB2 LYS 29 77.181 2.716 -15.246 216 HB3 LYS 29 HB1 LYS 29 77.353 3.302 -13.592 217 HG2 LYS 29 HG2 LYS 29 79.408 2.147 -14.522 218 HG3 LYS 29 HG1 LYS 29 78.802 1.469 -13.010 219 HD2 LYS 29 HD2 LYS 29 77.791 -0.378 -14.125 220 HD3 LYS 29 HD1 LYS 29 77.973 0.382 -15.706 221 HE2 LYS 29 HE2 LYS 29 79.679 -1.484 -14.893 222 HE3 LYS 29 HE1 LYS 29 80.235 -0.099 -15.833 223 HZ1 LYS 29 HZ1 LYS 29 80.306 -0.381 -12.879 224 HZ2 LYS 29 HZ2 LYS 29 80.716 1.037 -13.719 225 HZ3 LYS 29 HZ3 LYS 29 81.638 -0.374 -13.929 226 H1U RCY 30 H1U RCY 30 76.952 6.895 -5.963 227 H1S RCY 30 H1S RCY 30 74.639 6.235 -10.194 228 HB1 RCY 30 HB1 RCY 30 72.754 3.717 -11.888 229 HB2 RCY 30 HB2 RCY 30 73.032 5.442 -11.656 230 HA RCY 30 HA RCY 30 73.026 4.396 -14.093 231 HN1 RCY 30 HN1 RCY 30 75.808 4.067 -14.207 232 H LYS 31 HN LYS 31 74.626 6.464 -11.832 233 HA LYS 31 HA LYS 31 75.865 8.280 -13.683 234 HB2 LYS 31 HB2 LYS 31 74.172 10.082 -13.635 235 HB3 LYS 31 HB1 LYS 31 73.536 8.636 -14.418 236 HG2 LYS 31 HG2 LYS 31 72.734 8.040 -11.971 237 HG3 LYS 31 HG1 LYS 31 72.866 9.782 -11.730 238 HD2 LYS 31 HD2 LYS 31 71.251 8.414 -13.903 239 HD3 LYS 31 HD1 LYS 31 70.592 9.183 -12.459 240 HE2 LYS 31 HE2 LYS 31 71.843 11.302 -13.252 241 HE3 LYS 31 HE1 LYS 31 71.971 10.480 -14.807 242 HZ1 LYS 31 HZ1 LYS 31 69.340 10.431 -13.605 243 HZ2 LYS 31 HZ2 LYS 31 69.797 10.727 -15.215 244 HZ3 LYS 31 HZ3 LYS 31 69.881 11.973 -14.062 245 H GLN 32 HN GLN 32 76.667 7.275 -11.215 246 HA GLN 32 HA GLN 32 76.611 9.746 -9.525 247 HB2 GLN 32 HB2 GLN 32 76.133 6.883 -8.734 248 HB3 GLN 32 HB1 GLN 32 76.872 7.991 -7.578 249 HG2 GLN 32 HG2 GLN 32 74.348 8.738 -9.052 250 HG3 GLN 32 HG1 GLN 32 74.289 7.793 -7.564 251 HE21 GLN 32 HE21 GLN 32 74.732 8.878 -5.570 252 HE22 GLN 32 HE22 GLN 32 75.029 10.546 -5.474 253 H ARG 33 HN ARG 33 78.663 10.469 -10.025 254 HA ARG 33 HA ARG 33 80.912 8.844 -9.017 255 HE ARG 33 HE ARG 33 81.661 9.037 -13.486 256 HB2 ARG 33 HB2 ARG 33 80.712 9.802 -11.889 257 HB3 ARG 33 HB1 ARG 33 82.218 9.276 -11.139 258 HG2 ARG 33 HG2 ARG 33 80.861 7.128 -10.512 259 HG3 ARG 33 HG1 ARG 33 79.771 7.652 -11.795 260 HD2 ARG 33 HD2 ARG 33 82.587 6.683 -11.977 261 HD3 ARG 33 HD1 ARG 33 81.228 6.397 -13.064 262 HH11 ARG 33 HH21 ARG 33 83.792 6.344 -13.184 263 HH12 ARG 33 HH22 ARG 33 84.997 7.009 -14.237 264 HH21 ARG 33 HH11 ARG 33 83.221 9.922 -14.862 265 HH22 ARG 33 HH12 ARG 33 84.673 9.035 -15.186 266 H GLN 34 HN GLN 34 80.967 10.576 -7.440 267 HA GLN 34 HA GLN 34 81.900 13.204 -8.538 268 HB2 GLN 34 HB2 GLN 34 80.408 12.482 -6.011 269 HB3 GLN 34 HB1 GLN 34 81.226 14.034 -6.202 270 HG2 GLN 34 HG2 GLN 34 79.914 14.452 -8.266 271 HG3 GLN 34 HG1 GLN 34 79.064 12.926 -8.019 272 HE21 GLN 34 HE21 GLN 34 79.653 16.112 -6.469 273 HE22 GLN 34 HE22 GLN 34 78.215 16.111 -5.567 274 H THR 35 HN THR 35 83.065 10.420 -7.216 275 HA THR 35 HA THR 35 85.489 11.820 -6.238 276 HB THR 35 HB THR 35 84.336 9.575 -4.585 277 HG1 THR 35 HG1 THR 35 83.678 11.494 -3.231 278 HG21 THR 35 HG21 THR 35 86.751 10.472 -4.432 279 HG22 THR 35 HG22 THR 35 85.835 10.353 -2.930 280 HG23 THR 35 HG23 THR 35 86.031 11.916 -3.721 281 H ARG 36 HN ARG 36 84.771 10.181 -8.594 282 HA ARG 36 HA ARG 36 85.630 8.374 -9.821 283 HE ARG 36 HE ARG 36 88.793 11.327 -8.199 284 HB2 ARG 36 HB2 ARG 36 87.890 9.064 -7.940 285 HB3 ARG 36 HB1 ARG 36 88.048 7.786 -9.145 286 HG2 ARG 36 HG2 ARG 36 87.593 9.341 -10.945 287 HG3 ARG 36 HG1 ARG 36 87.219 10.627 -9.796 288 HD2 ARG 36 HD2 ARG 36 89.909 9.251 -9.834 289 HD3 ARG 36 HD1 ARG 36 89.569 10.666 -10.830 290 HH11 ARG 36 HH21 ARG 36 91.602 10.408 -9.976 291 HH12 ARG 36 HH22 ARG 36 92.694 11.290 -8.961 292 HH21 ARG 36 HH11 ARG 36 90.204 12.483 -6.865 293 HH22 ARG 36 HH12 ARG 36 91.903 12.465 -7.200 294 H GLN 37 HN GLN 37 87.346 7.413 -6.903 295 HA GLN 37 HA GLN 37 85.376 5.536 -5.969 296 HB2 GLN 37 HB2 GLN 37 86.956 4.713 -8.235 297 HB3 GLN 37 HB1 GLN 37 87.408 3.732 -6.843 298 HG2 GLN 37 HG2 GLN 37 85.123 3.057 -6.478 299 HG3 GLN 37 HG1 GLN 37 84.534 4.215 -7.672 300 HE21 GLN 37 HE21 GLN 37 87.489 2.742 -8.623 301 HE22 GLN 37 HE22 GLN 37 86.836 1.593 -9.688 302 H1U RCY 38 H1U RCY 38 84.600 4.314 2.185 303 H1S RCY 38 H1S RCY 38 86.686 7.707 0.339 304 HB1 RCY 38 HB1 RCY 38 88.802 6.080 -1.603 305 HB2 RCY 38 HB2 RCY 38 87.335 5.724 -2.515 306 HA RCY 38 HA RCY 38 89.365 7.646 -3.629 307 HN1 RCY 38 HN1 RCY 38 87.694 7.487 -5.278 308 H LYS 39 HN LYS 39 91.175 6.836 -4.752 309 HA LYS 39 HA LYS 39 91.799 4.238 -5.484 310 HB2 LYS 39 HB2 LYS 39 94.235 4.917 -4.870 311 HB3 LYS 39 HB1 LYS 39 93.384 5.872 -6.085 312 HG2 LYS 39 HG2 LYS 39 92.815 7.563 -4.441 313 HG3 LYS 39 HG1 LYS 39 93.482 6.577 -3.139 314 HD2 LYS 39 HD2 LYS 39 95.712 6.828 -3.962 315 HD3 LYS 39 HD1 LYS 39 95.145 7.502 -5.490 316 HE2 LYS 39 HE2 LYS 39 95.970 9.305 -4.055 317 HE3 LYS 39 HE1 LYS 39 94.225 9.457 -4.255 318 HZ1 LYS 39 HZ1 LYS 39 94.012 9.339 -2.070 319 HZ2 LYS 39 HZ2 LYS 39 95.690 9.146 -1.883 320 HZ3 LYS 39 HZ3 LYS 39 94.692 7.784 -2.074 321 H SER 40 HN SER 40 91.950 5.631 -2.233 322 HA SER 40 HA SER 40 91.696 3.060 -0.984 323 HG SER 40 HG SER 40 94.969 3.170 0.650 324 HB2 SER 40 HB2 SER 40 93.978 2.650 -1.575 325 HB3 SER 40 HB1 SER 40 94.462 4.279 -1.113 326 H LYS 41 HN LYS 41 91.634 6.369 -0.981 327 HA LYS 41 HA LYS 41 92.237 7.413 1.468 328 HB2 LYS 41 HB2 LYS 41 89.663 7.711 -0.089 329 HB3 LYS 41 HB1 LYS 41 90.033 8.684 1.335 330 HG2 LYS 41 HG2 LYS 41 92.142 9.432 0.242 331 HG3 LYS 41 HG1 LYS 41 91.689 8.524 -1.201 332 HD2 LYS 41 HD2 LYS 41 89.753 9.896 -1.561 333 HD3 LYS 41 HD1 LYS 41 89.927 10.663 0.018 334 HE2 LYS 41 HE2 LYS 41 92.126 11.592 -0.725 335 HE3 LYS 41 HE1 LYS 41 91.833 10.916 -2.327 336 HZ1 LYS 41 HZ1 LYS 41 89.924 12.749 -0.998 337 HZ2 LYS 41 HZ2 LYS 41 89.976 12.296 -2.635 338 HZ3 LYS 41 HZ3 LYS 41 91.179 13.309 -1.993 339 HA PRO 42 HA PRO 42 89.851 4.434 3.967 340 HB2 PRO 42 HB2 PRO 42 91.575 4.240 6.032 341 HB3 PRO 42 HB1 PRO 42 91.887 3.434 4.482 342 HG2 PRO 42 HG2 PRO 42 93.082 5.911 5.591 343 HG3 PRO 42 HG1 PRO 42 93.814 4.655 4.581 344 HD2 PRO 42 HD2 PRO 42 92.846 7.139 3.670 345 HD3 PRO 42 HD1 PRO 42 93.238 5.737 2.651 346 HA PRO 43 HA PRO 43 87.925 7.298 6.761 347 HB2 PRO 43 HB2 PRO 43 87.013 5.627 8.730 348 HB3 PRO 43 HB1 PRO 43 86.284 5.711 7.114 349 HG2 PRO 43 HG2 PRO 43 88.184 3.710 8.224 350 HG3 PRO 43 HG1 PRO 43 86.792 3.475 7.155 351 HD2 PRO 43 HD2 PRO 43 89.385 3.507 6.254 352 HD3 PRO 43 HD1 PRO 43 87.999 3.985 5.250 353 H LYS 44 HN LYS 44 88.032 8.145 9.045 354 HA LYS 44 HA LYS 44 90.596 8.648 9.966 355 HB2 LYS 44 HB2 LYS 44 88.149 8.317 11.729 356 HB3 LYS 44 HB1 LYS 44 89.606 9.221 12.135 357 HG2 LYS 44 HG2 LYS 44 88.558 11.018 11.238 358 HG3 LYS 44 HG1 LYS 44 88.887 10.276 9.672 359 HD2 LYS 44 HD2 LYS 44 86.570 10.597 9.583 360 HD3 LYS 44 HD1 LYS 44 86.690 8.929 10.142 361 HE2 LYS 44 HE2 LYS 44 86.608 9.868 12.519 362 HE3 LYS 44 HE1 LYS 44 86.131 11.402 11.790 363 HZ1 LYS 44 HZ1 LYS 44 84.620 9.260 10.710 364 HZ2 LYS 44 HZ2 LYS 44 84.080 10.658 11.509 365 HZ3 LYS 44 HZ3 LYS 44 84.492 9.272 12.401 366 H LYS 45 HN LYS 45 88.783 6.795 12.327 367 HA LYS 45 HA LYS 45 90.160 4.305 12.040 368 HB2 LYS 45 HB2 LYS 45 91.637 4.621 14.124 369 HB3 LYS 45 HB1 LYS 45 92.195 5.380 12.633 370 HG2 LYS 45 HG2 LYS 45 91.226 7.524 13.339 371 HG3 LYS 45 HG1 LYS 45 90.618 6.776 14.816 372 HD2 LYS 45 HD2 LYS 45 93.538 6.540 14.188 373 HD3 LYS 45 HD1 LYS 45 92.931 8.071 14.820 374 HE2 LYS 45 HE2 LYS 45 92.534 5.357 16.115 375 HE3 LYS 45 HE1 LYS 45 93.677 6.589 16.651 376 HZ1 LYS 45 HZ1 LYS 45 91.279 7.894 16.440 377 HZ2 LYS 45 HZ2 LYS 45 92.030 7.389 17.878 378 HZ3 LYS 45 HZ3 LYS 45 90.873 6.397 17.127 379 H GLY 46 HN GLY 46 87.558 4.689 12.527 380 HA2 GLY 46 HA2 GLY 46 86.911 3.159 14.749 381 HA3 GLY 46 HA1 GLY 46 86.905 4.816 15.355 382 H VAL 47 HN VAL 47 84.696 2.772 14.776 383 HA VAL 47 HA VAL 47 82.986 4.612 13.142 384 HB VAL 47 HB VAL 47 81.781 2.620 12.320 385 HG11 VAL 47 HG11 VAL 47 83.741 3.522 11.063 386 HG12 VAL 47 HG12 VAL 47 83.524 1.789 10.824 387 HG13 VAL 47 HG13 VAL 47 84.778 2.378 11.915 388 HG21 VAL 47 HG21 VAL 47 82.018 0.997 14.008 389 HG22 VAL 47 HG22 VAL 47 83.762 1.236 14.122 390 HG23 VAL 47 HG23 VAL 47 83.075 0.392 12.734 391 H GLN 48 HN GLN 48 81.344 5.412 14.349 392 HA GLN 48 HA GLN 48 79.740 3.767 16.090 393 HB2 GLN 48 HB2 GLN 48 81.965 4.227 17.385 394 HB3 GLN 48 HB1 GLN 48 81.313 5.851 17.596 395 HG2 GLN 48 HG2 GLN 48 79.261 4.893 18.592 396 HG3 GLN 48 HG1 GLN 48 79.931 3.273 18.401 397 HE21 GLN 48 HE21 GLN 48 82.498 5.332 19.075 398 HE22 GLN 48 HE22 GLN 48 82.578 5.114 20.756 399 H GLY 49 HN GLY 49 80.193 6.368 14.178 400 HA2 GLY 49 HA2 GLY 49 77.589 7.433 14.528 401 HA3 GLY 49 HA1 GLY 49 78.704 8.459 15.432 402 H1U RCY 50 H1U RCY 50 77.536 7.031 3.830 403 H1S RCY 50 H1S RCY 50 78.074 8.273 8.506 404 HB1 RCY 50 HB1 RCY 50 78.623 8.551 10.635 405 HB2 RCY 50 HB2 RCY 50 79.762 7.303 10.128 406 HA RCY 50 HA RCY 50 81.589 8.428 11.250 407 HN1 RCY 50 HN1 RCY 50 80.676 7.392 13.152 408 H GLY 51 HN GLY 51 78.766 10.416 10.828 409 HA2 GLY 51 HA2 GLY 51 79.379 12.650 12.425 410 HA3 GLY 51 HA1 GLY 51 80.303 12.843 10.934 411 H ASP 52 HN ASP 52 77.534 11.062 10.302 412 HA ASP 52 HA ASP 52 75.595 11.593 9.090 413 HB2 ASP 52 HB2 ASP 52 75.085 12.599 11.369 414 HB3 ASP 52 HB1 ASP 52 75.623 14.148 10.717 415 H ASP 53 HN ASP 53 78.188 12.435 8.007 416 HA ASP 53 HA ASP 53 77.907 15.095 6.889 417 HB2 ASP 53 HB2 ASP 53 79.619 12.806 5.878 418 HB3 ASP 53 HB1 ASP 53 79.847 14.524 5.548 419 H ILE 54 HN ILE 54 75.525 14.372 6.282 420 HA ILE 54 HA ILE 54 75.573 13.849 3.374 421 HB ILE 54 HB ILE 54 73.537 12.246 3.829 422 HG12 ILE 54 HG12 ILE 54 75.145 11.859 6.368 423 HG13 ILE 54 HG11 ILE 54 73.630 12.760 6.315 424 HG21 ILE 54 HG21 ILE 54 75.065 10.336 3.813 425 HG22 ILE 54 HG22 ILE 54 76.380 11.355 4.398 426 HG23 ILE 54 HG23 ILE 54 75.712 11.617 2.787 427 HD11 ILE 54 HD11 ILE 54 72.459 10.781 5.454 428 HD12 ILE 54 HD12 ILE 54 73.264 10.398 6.976 429 HD13 ILE 54 HD13 ILE 54 73.972 9.874 5.448 430 HA PRO 55 HA PRO 55 72.530 17.093 4.297 431 HB2 PRO 55 HB2 PRO 55 72.543 18.270 1.850 432 HB3 PRO 55 HB1 PRO 55 73.842 18.520 3.033 433 HG2 PRO 55 HG2 PRO 55 73.791 16.779 0.625 434 HG3 PRO 55 HG1 PRO 55 75.119 17.734 1.303 435 HD2 PRO 55 HD2 PRO 55 74.814 14.991 1.651 436 HD3 PRO 55 HD1 PRO 55 75.773 16.044 2.714 437 H GLY 56 HN GLY 56 72.174 14.293 2.642 438 HA2 GLY 56 HA2 GLY 56 69.744 14.947 1.133 439 HA3 GLY 56 HA1 GLY 56 70.428 13.334 1.347 440 H MET 57 HN MET 57 70.399 12.719 3.869 441 HA MET 57 HA MET 57 68.954 11.983 5.572 442 HB2 MET 57 HB2 MET 57 68.100 14.883 5.323 443 HB3 MET 57 HB1 MET 57 67.685 13.826 6.673 444 HG2 MET 57 HG2 MET 57 70.537 14.371 5.818 445 HG3 MET 57 HG1 MET 57 69.708 15.305 7.063 446 HE1 MET 57 HE1 MET 57 68.318 14.134 8.907 447 HE2 MET 57 HE2 MET 57 69.870 14.701 9.518 448 HE3 MET 57 HE3 MET 57 69.258 13.125 10.013 449 H GLU 58 HN GLU 58 67.849 10.648 3.864 450 HA GLU 58 HA GLU 58 65.076 11.644 3.314 451 HB2 GLU 58 HB2 GLU 58 66.627 9.502 1.828 452 HB3 GLU 58 HB1 GLU 58 65.044 10.146 1.392 453 HG2 GLU 58 HG2 GLU 58 67.617 11.747 1.516 454 HG3 GLU 58 HG1 GLU 58 66.828 11.191 0.039 455 H GLY 59 HN GLY 59 66.945 8.674 4.035 456 HA2 GLY 59 HA2 GLY 59 65.558 7.731 6.201 457 HA3 GLY 59 HA1 GLY 59 64.516 7.260 4.858 458 H1U RCY 60 H1U RCY 60 73.843 4.768 -0.724 459 H1S RCY 60 H1S RCY 60 70.373 7.420 0.943 460 HB1 RCY 60 HB1 RCY 60 68.736 5.943 1.734 461 HB2 RCY 60 HB2 RCY 60 69.938 4.842 2.406 462 HA RCY 60 HA RCY 60 67.713 4.430 3.397 463 HN1 RCY 60 HN1 RCY 60 67.543 7.286 3.591 464 H GLY 61 HN GLY 61 67.516 3.933 5.750 465 HA2 GLY 61 HA2 GLY 61 68.852 2.792 7.424 466 HA3 GLY 61 HA1 GLY 61 70.214 3.832 6.999 467 H THR 62 HN THR 62 70.454 5.782 8.075 468 HA THR 62 HA THR 62 70.030 7.475 9.636 469 HB THR 62 HB THR 62 67.533 6.960 8.373 470 HG1 THR 62 HG1 THR 62 68.991 8.955 9.233 471 HG21 THR 62 HG21 THR 62 66.827 5.926 10.511 472 HG22 THR 62 HG22 THR 62 65.948 7.422 10.191 473 HG23 THR 62 HG23 THR 62 67.268 7.407 11.361 474 H ASP 63 HN ASP 63 68.438 4.360 10.215 475 HA ASP 63 HA ASP 63 68.281 4.672 13.076 476 HB2 ASP 63 HB2 ASP 63 68.116 2.107 12.997 477 HB3 ASP 63 HB1 ASP 63 66.870 3.006 12.134 478 H ILE 64 HN ILE 64 70.717 3.359 10.866 479 HA ILE 64 HA ILE 64 72.686 3.498 13.081 480 HB ILE 64 HB ILE 64 72.180 1.069 11.364 481 HG12 ILE 64 HG12 ILE 64 72.505 0.177 13.885 482 HG13 ILE 64 HG11 ILE 64 71.915 1.801 14.241 483 HG21 ILE 64 HG21 ILE 64 74.258 0.235 12.705 484 HG22 ILE 64 HG22 ILE 64 74.622 1.950 12.890 485 HG23 ILE 64 HG23 ILE 64 74.522 1.239 11.279 486 HD11 ILE 64 HD11 ILE 64 69.889 0.716 14.039 487 HD12 ILE 64 HD12 ILE 64 70.520 -0.472 12.898 488 HD13 ILE 64 HD13 ILE 64 70.138 1.160 12.350 489 H THR 65 HN THR 65 72.007 3.363 9.638 490 HA THR 65 HA THR 65 73.321 4.004 7.798 491 HB THR 65 HB THR 65 74.540 5.956 9.759 492 HG1 THR 65 HG1 THR 65 72.625 6.726 10.017 493 HG21 THR 65 HG21 THR 65 75.490 5.975 7.508 494 HG22 THR 65 HG22 THR 65 74.515 7.425 7.751 495 HG23 THR 65 HG23 THR 65 73.876 6.081 6.804 496 H VAL 66 HN VAL 66 75.647 4.677 10.402 497 HA VAL 66 HA VAL 66 77.982 3.919 9.188 498 HB VAL 66 HB VAL 66 77.585 2.913 11.979 499 HG11 VAL 66 HG11 VAL 66 79.768 3.790 12.294 500 HG12 VAL 66 HG12 VAL 66 79.636 4.842 10.884 501 HG13 VAL 66 HG13 VAL 66 79.800 3.098 10.672 502 HG21 VAL 66 HG21 VAL 66 76.293 4.807 12.329 503 HG22 VAL 66 HG22 VAL 66 77.051 5.695 11.008 504 HG23 VAL 66 HG23 VAL 66 77.902 5.498 12.540 505 H ILE 67 HN ILE 67 76.619 1.512 11.464 506 HA ILE 67 HA ILE 67 77.025 -0.561 9.341 507 HB ILE 67 HB ILE 67 77.971 -0.695 12.221 508 HG12 ILE 67 HG12 ILE 67 79.520 -0.877 9.619 509 HG13 ILE 67 HG11 ILE 67 79.388 0.594 10.584 510 HG21 ILE 67 HG21 ILE 67 78.855 -2.940 11.510 511 HG22 ILE 67 HG22 ILE 67 77.932 -2.776 10.016 512 HG23 ILE 67 HG23 ILE 67 77.094 -2.860 11.566 513 HD11 ILE 67 HD11 ILE 67 81.474 -0.705 11.063 514 HD12 ILE 67 HD12 ILE 67 80.469 -2.040 11.626 515 HD13 ILE 67 HD13 ILE 67 80.448 -0.499 12.482 516 H1U RCY 68 H1U RCY 68 75.957 -1.616 3.155 517 H1S RCY 68 H1S RCY 68 73.275 -0.708 6.876 518 HB1 RCY 68 HB1 RCY 68 72.480 -0.136 8.960 519 HB2 RCY 68 HB2 RCY 68 71.245 -1.047 9.818 520 HA RCY 68 HA RCY 68 72.970 -1.110 11.377 521 HN1 RCY 68 HN1 RCY 68 74.710 -0.572 9.133 522 HA PRO 69 HA PRO 69 73.378 -5.430 12.041 523 HB2 PRO 69 HB2 PRO 69 70.670 -6.228 11.804 524 HB3 PRO 69 HB1 PRO 69 71.503 -5.726 13.285 525 HG2 PRO 69 HG2 PRO 69 69.705 -4.187 11.519 526 HG3 PRO 69 HG1 PRO 69 69.978 -4.046 13.262 527 HD2 PRO 69 HD2 PRO 69 70.966 -2.230 11.500 528 HD3 PRO 69 HD1 PRO 69 71.826 -2.655 12.998 529 H TRP 70 HN TRP 70 70.894 -4.947 9.465 530 HA TRP 70 HA TRP 70 71.619 -7.427 8.166 531 HD1 TRP 70 HD1 TRP 70 71.093 -4.083 5.413 532 HE1 TRP 70 HE1 TRP 70 70.237 -1.716 5.964 533 HE3 TRP 70 HE3 TRP 70 68.355 -5.089 9.604 534 HZ2 TRP 70 HZ2 TRP 70 68.604 -0.417 7.926 535 HZ3 TRP 70 HZ3 TRP 70 67.162 -3.274 10.792 536 HH2 TRP 70 HH2 TRP 70 67.281 -0.942 9.961 537 HB2 TRP 70 HB2 TRP 70 70.268 -6.499 6.240 538 HB3 TRP 70 HB1 TRP 70 69.405 -6.581 7.773 539 H GLU 71 HN GLU 71 73.953 -5.958 8.644 540 HA GLU 71 HA GLU 71 74.902 -5.574 5.852 541 HB2 GLU 71 HB2 GLU 71 75.614 -3.410 6.162 542 HB3 GLU 71 HB1 GLU 71 74.340 -3.398 7.364 543 HG2 GLU 71 HG2 GLU 71 76.165 -2.612 8.602 544 HG3 GLU 71 HG1 GLU 71 76.193 -4.337 8.967 545 H ALA 72 HN ALA 72 75.242 -6.983 8.856 546 HA ALA 72 HA ALA 72 78.107 -7.061 9.124 547 HB1 ALA 72 HB1 ALA 72 76.717 -7.597 11.031 548 HB2 ALA 72 HB2 ALA 72 77.635 -9.041 10.605 549 HB3 ALA 72 HB3 ALA 72 75.936 -8.909 10.149 550 H1U RCY 73 H1U RCY 73 70.958 -6.620 4.105 551 H1S RCY 73 H1S RCY 73 75.115 -8.247 2.849 552 HB1 RCY 73 HB1 RCY 73 77.249 -9.759 3.684 553 HB2 RCY 73 HB2 RCY 73 78.644 -8.688 3.786 554 HA RCY 73 HA RCY 73 77.458 -10.421 5.847 555 HN1 RCY 73 HN1 RCY 73 77.402 -7.591 6.405 556 H ASN 74 HN ASN 74 79.661 -8.792 7.487 557 HA ASN 74 HA ASN 74 81.943 -9.091 7.917 558 HB2 ASN 74 HB2 ASN 74 81.098 -11.517 7.841 559 HB3 ASN 74 HB1 ASN 74 81.758 -11.576 6.207 560 HD21 ASN 74 HD21 ASN 74 82.749 -10.745 9.573 561 HD22 ASN 74 HD22 ASN 74 84.360 -11.244 9.377 562 H HIS 75 HN HIS 75 84.031 -10.028 6.376 563 HA HIS 75 HA HIS 75 85.463 -9.316 4.663 564 HD1 HIS 75 HD1 HIS 75 81.496 -11.008 3.038 565 HD2 HIS 75 HD2 HIS 75 85.470 -11.977 3.857 566 HE1 HIS 75 HE1 HIS 75 81.564 -13.516 3.384 567 HE2 HIS 75 HE2 HIS 75 83.978 -14.119 3.883 568 HB2 HIS 75 HB2 HIS 75 82.939 -8.987 3.025 569 HB3 HIS 75 HB1 HIS 75 84.564 -9.351 2.444 570 H1U RCY 76 H1U RCY 76 79.612 -3.791 1.882 571 H1S RCY 76 H1S RCY 76 82.013 -5.021 4.969 572 HB1 RCY 76 HB1 RCY 76 84.426 -4.311 7.538 573 HB2 RCY 76 HB2 RCY 76 83.355 -5.708 7.634 574 HA RCY 76 HA RCY 76 83.446 -4.952 4.899 575 HN1 RCY 76 HN1 RCY 76 83.918 -7.322 6.433 576 H GLU 77 HN GLU 77 86.320 -6.600 5.580 577 HA GLU 77 HA GLU 77 88.181 -4.468 5.907 578 HB2 GLU 77 HB2 GLU 77 89.782 -6.163 4.758 579 HB3 GLU 77 HB1 GLU 77 89.043 -6.631 6.289 580 HG2 GLU 77 HG2 GLU 77 87.444 -8.022 5.220 581 HG3 GLU 77 HG1 GLU 77 87.762 -7.307 3.639 582 H LEU 78 HN LEU 78 87.255 -2.848 4.406 583 HA LEU 78 HA LEU 78 87.094 -3.240 1.586 584 HG LEU 78 HG LEU 78 87.715 -1.070 0.347 585 HB2 LEU 78 HB2 LEU 78 86.173 -1.272 2.909 586 HB3 LEU 78 HB1 LEU 78 87.820 -0.644 2.969 587 HD11 LEU 78 HD11 LEU 78 85.386 -2.072 0.615 588 HD12 LEU 78 HD12 LEU 78 85.527 -0.794 -0.592 589 HD13 LEU 78 HD13 LEU 78 84.823 -0.442 0.987 590 HD21 LEU 78 HD21 LEU 78 86.445 1.250 1.831 591 HD22 LEU 78 HD22 LEU 78 86.842 1.288 0.113 592 HD23 LEU 78 HD23 LEU 78 88.124 1.113 1.312 593 H HIS 79 HN HIS 79 88.755 -3.777 0.264 594 HA HIS 79 HA HIS 79 91.313 -2.328 0.481 595 HD1 HIS 79 HD1 HIS 79 90.709 -5.532 3.328 596 HD2 HIS 79 HD2 HIS 79 93.223 -2.328 2.426 597 HE1 HIS 79 HE1 HIS 79 91.433 -4.545 5.545 598 HE2 HIS 79 HE2 HIS 79 92.964 -2.594 5.010 599 HB2 HIS 79 HB2 HIS 79 91.067 -5.321 0.873 600 HB3 HIS 79 HB1 HIS 79 92.581 -4.536 0.423 601 H GLU 80 HN GLU 80 91.620 -5.315 -1.069 602 HA GLU 80 HA GLU 80 91.326 -3.995 -3.720 603 HB2 GLU 80 HB2 GLU 80 93.468 -5.150 -3.190 604 HB3 GLU 80 HB1 GLU 80 92.580 -6.662 -2.994 605 HG2 GLU 80 HG2 GLU 80 91.828 -6.560 -5.320 606 HG3 GLU 80 HG1 GLU 80 92.628 -5.002 -5.531 607 H LEU 81 HN LEU 81 90.009 -6.556 -1.731 608 HA LEU 81 HA LEU 81 88.628 -8.040 -3.722 609 HG LEU 81 HG LEU 81 88.750 -9.819 -0.538 610 HB2 LEU 81 HB2 LEU 81 88.056 -7.502 -0.803 611 HB3 LEU 81 HB1 LEU 81 86.997 -8.518 -1.777 612 HD11 LEU 81 HD11 LEU 81 89.458 -10.088 -3.424 613 HD12 LEU 81 HD12 LEU 81 87.759 -10.269 -2.988 614 HD13 LEU 81 HD13 LEU 81 88.972 -11.327 -2.267 615 HD21 LEU 81 HD21 LEU 81 90.706 -8.595 -2.490 616 HD22 LEU 81 HD22 LEU 81 91.054 -9.582 -1.071 617 HD23 LEU 81 HD23 LEU 81 90.471 -7.929 -0.874 618 H ALA 82 HN ALA 82 87.826 -5.019 -2.081 619 HA ALA 82 HA ALA 82 85.106 -4.861 -2.999 620 HB1 ALA 82 HB1 ALA 82 85.235 -2.507 -2.371 621 HB2 ALA 82 HB2 ALA 82 86.997 -2.582 -2.337 622 HB3 ALA 82 HB3 ALA 82 86.053 -3.476 -1.145 623 H GLN 83 HN GLN 83 87.993 -4.761 -4.717 624 HA GLN 83 HA GLN 83 87.265 -2.755 -6.693 625 HB2 GLN 83 HB2 GLN 83 89.627 -3.660 -6.144 626 HB3 GLN 83 HB1 GLN 83 89.191 -5.035 -7.158 627 HG2 GLN 83 HG2 GLN 83 90.235 -3.543 -8.660 628 HG3 GLN 83 HG1 GLN 83 88.513 -3.263 -8.920 629 HE21 GLN 83 HE21 GLN 83 90.735 -2.096 -6.325 630 HE22 GLN 83 HE22 GLN 83 90.396 -0.452 -6.574 631 H TYR 84 HN TYR 84 86.889 -6.257 -6.383 632 HA TYR 84 HA TYR 84 85.960 -6.692 -9.079 633 HD1 TYR 84 HD1 TYR 84 87.180 -8.590 -9.881 634 HD2 TYR 84 HD2 TYR 84 87.525 -8.839 -5.607 635 HE1 TYR 84 HE1 TYR 84 89.538 -9.319 -10.114 636 HE2 TYR 84 HE2 TYR 84 89.884 -9.569 -5.840 637 HH TYR 84 HH TYR 84 91.484 -10.184 -7.259 638 HB2 TYR 84 HB2 TYR 84 85.464 -8.297 -6.551 639 HB3 TYR 84 HB1 TYR 84 85.131 -8.856 -8.190 640 H GLY 85 HN GLY 85 83.622 -8.067 -7.152 641 HA2 GLY 85 HA2 GLY 85 81.787 -5.747 -7.210 642 HA3 GLY 85 HA1 GLY 85 81.348 -7.129 -8.215 643 H ILE 86 HN ILE 86 83.012 -8.318 -5.594 644 HA ILE 86 HA ILE 86 80.665 -9.531 -4.449 645 HB ILE 86 HB ILE 86 83.429 -9.253 -3.228 646 HG12 ILE 86 HG12 ILE 86 82.279 -11.521 -4.882 647 HG13 ILE 86 HG11 ILE 86 83.371 -10.293 -5.523 648 HG21 ILE 86 HG21 ILE 86 81.004 -10.940 -2.627 649 HG22 ILE 86 HG22 ILE 86 81.994 -9.996 -1.514 650 HG23 ILE 86 HG23 ILE 86 82.619 -11.499 -2.192 651 HD11 ILE 86 HD11 ILE 86 84.008 -12.108 -3.178 652 HD12 ILE 86 HD12 ILE 86 85.102 -10.946 -3.930 653 HD13 ILE 86 HD13 ILE 86 84.571 -12.367 -4.829 654 H1U RCY 87 H1U RCY 87 75.185 -4.715 2.087 655 H1S RCY 87 H1S RCY 87 76.115 -5.098 -2.230 656 HB1 RCY 87 HB1 RCY 87 77.662 -6.609 -0.469 657 HB2 RCY 87 HB2 RCY 87 77.932 -8.313 -0.833 658 HA RCY 87 HA RCY 87 79.478 -5.994 -2.040 659 HN1 RCY 87 HN1 RCY 87 79.274 -8.667 -2.977 Start of MODEL 41 1 HA MET 1 HA MET 1 61.084 -14.225 2.740 2 HB2 MET 1 HB2 MET 1 62.798 -12.061 3.956 3 HB3 MET 1 HB1 MET 1 61.752 -13.227 4.767 4 HG2 MET 1 HG2 MET 1 64.409 -13.759 3.420 5 HG3 MET 1 HG1 MET 1 64.001 -13.980 5.121 6 HE1 MET 1 HE1 MET 1 64.624 -15.929 1.933 7 HE2 MET 1 HE2 MET 1 64.639 -17.368 2.951 8 HE3 MET 1 HE3 MET 1 65.462 -15.906 3.490 9 H ASN 2 HN ASN 2 59.197 -13.153 2.460 10 HA ASN 2 HA ASN 2 57.684 -11.495 1.812 11 HB2 ASN 2 HB2 ASN 2 57.919 -9.463 2.903 12 HB3 ASN 2 HB1 ASN 2 59.054 -10.443 3.829 13 HD21 ASN 2 HD21 ASN 2 61.171 -9.653 3.940 14 HD22 ASN 2 HD22 ASN 2 61.821 -8.476 2.905 15 H LEU 3 HN LEU 3 57.255 -10.990 -0.263 16 HA LEU 3 HA LEU 3 59.314 -9.546 -1.857 17 HG LEU 3 HG LEU 3 60.561 -11.602 -1.686 18 HB2 LEU 3 HB2 LEU 3 58.112 -12.233 -2.452 19 HB3 LEU 3 HB1 LEU 3 58.475 -11.154 -3.798 20 HD11 LEU 3 HD11 LEU 3 59.902 -13.867 -2.251 21 HD12 LEU 3 HD12 LEU 3 61.416 -13.512 -3.083 22 HD13 LEU 3 HD13 LEU 3 59.892 -13.480 -3.971 23 HD21 LEU 3 HD21 LEU 3 62.041 -11.249 -3.654 24 HD22 LEU 3 HD22 LEU 3 60.925 -9.904 -3.423 25 HD23 LEU 3 HD23 LEU 3 60.614 -11.101 -4.680 26 H GLU 4 HN GLU 4 56.357 -9.410 -0.632 27 HA GLU 4 HA GLU 4 54.795 -8.735 -3.004 28 HB2 GLU 4 HB2 GLU 4 54.337 -8.556 -0.030 29 HB3 GLU 4 HB1 GLU 4 53.217 -7.787 -1.154 30 HG2 GLU 4 HG2 GLU 4 52.917 -9.960 -2.316 31 HG3 GLU 4 HG1 GLU 4 53.992 -10.720 -1.141 32 HA PRO 5 HA PRO 5 55.838 -4.538 -3.849 33 HB2 PRO 5 HB2 PRO 5 53.020 -3.915 -3.026 34 HB3 PRO 5 HB1 PRO 5 53.918 -3.371 -4.456 35 HG2 PRO 5 HG2 PRO 5 52.121 -5.359 -4.563 36 HG3 PRO 5 HG1 PRO 5 53.562 -5.324 -5.590 37 HD2 PRO 5 HD2 PRO 5 52.937 -7.122 -3.339 38 HD3 PRO 5 HD1 PRO 5 54.146 -7.312 -4.626 39 HA PRO 6 HA PRO 6 56.532 -3.206 0.431 40 HB2 PRO 6 HB2 PRO 6 58.525 -1.431 -0.061 41 HB3 PRO 6 HB1 PRO 6 58.786 -3.186 -0.112 42 HG2 PRO 6 HG2 PRO 6 58.422 -1.270 -2.357 43 HG3 PRO 6 HG1 PRO 6 59.496 -2.672 -2.231 44 HD2 PRO 6 HD2 PRO 6 57.076 -2.685 -3.583 45 HD3 PRO 6 HD1 PRO 6 57.871 -4.139 -2.940 46 H LYS 7 HN LYS 7 55.810 -1.435 1.656 47 HA LYS 7 HA LYS 7 55.164 1.101 0.266 48 HB2 LYS 7 HB2 LYS 7 53.160 -0.526 0.200 49 HB3 LYS 7 HB1 LYS 7 53.056 -0.270 1.942 50 HG2 LYS 7 HG2 LYS 7 53.068 2.247 1.401 51 HG3 LYS 7 HG1 LYS 7 52.742 1.768 -0.266 52 HD2 LYS 7 HD2 LYS 7 51.059 1.023 2.145 53 HD3 LYS 7 HD1 LYS 7 50.638 2.232 0.931 54 HE2 LYS 7 HE2 LYS 7 50.897 0.346 -0.797 55 HE3 LYS 7 HE1 LYS 7 50.880 -0.758 0.578 56 HZ1 LYS 7 HZ1 LYS 7 48.720 0.684 -0.628 57 HZ2 LYS 7 HZ2 LYS 7 48.786 0.909 1.054 58 HZ3 LYS 7 HZ3 LYS 7 48.678 -0.659 0.408 59 H ALA 8 HN ALA 8 55.990 -0.693 3.068 60 HA ALA 8 HA ALA 8 55.340 1.225 5.097 61 HB1 ALA 8 HB1 ALA 8 57.654 -0.737 5.072 62 HB2 ALA 8 HB2 ALA 8 56.003 -1.150 5.537 63 HB3 ALA 8 HB3 ALA 8 56.924 0.011 6.494 64 H GLU 9 HN GLU 9 57.333 1.598 2.484 65 HA GLU 9 HA GLU 9 59.335 3.270 3.918 66 HB2 GLU 9 HB2 GLU 9 60.525 3.332 1.783 67 HB3 GLU 9 HB1 GLU 9 60.127 1.661 2.186 68 HG2 GLU 9 HG2 GLU 9 58.043 1.921 0.767 69 HG3 GLU 9 HG1 GLU 9 58.696 3.466 0.222 70 H1U RCY 10 H1U RCY 10 54.268 4.488 -4.581 71 H1S RCY 10 H1S RCY 10 52.517 5.789 -0.316 72 HB1 RCY 10 HB1 RCY 10 54.194 4.897 2.345 73 HB2 RCY 10 HB2 RCY 10 54.760 4.728 0.683 74 HA RCY 10 HA RCY 10 56.699 6.147 1.174 75 HN1 RCY 10 HN1 RCY 10 56.309 3.636 2.584 76 H ARG 11 HN ARG 11 55.886 5.218 4.486 77 HA ARG 11 HA ARG 11 55.090 7.786 5.433 78 HE ARG 11 HE ARG 11 53.377 7.528 5.121 79 HB2 ARG 11 HB2 ARG 11 56.163 5.288 6.682 80 HB3 ARG 11 HB1 ARG 11 56.193 6.760 7.653 81 HG2 ARG 11 HG2 ARG 11 54.086 5.449 7.950 82 HG3 ARG 11 HG1 ARG 11 53.797 7.074 7.329 83 HD2 ARG 11 HD2 ARG 11 54.229 4.915 5.320 84 HD3 ARG 11 HD1 ARG 11 52.698 4.901 6.196 85 HH11 ARG 11 HH21 ARG 11 51.974 4.431 4.551 86 HH12 ARG 11 HH22 ARG 11 50.935 4.987 3.282 87 HH21 ARG 11 HH11 ARG 11 52.029 8.273 3.467 88 HH22 ARG 11 HH12 ARG 11 50.966 7.163 2.668 89 H SER 12 HN SER 12 56.272 9.621 5.584 90 HA SER 12 HA SER 12 58.970 9.870 4.825 91 HG SER 12 HG SER 12 56.337 12.283 5.297 92 HB2 SER 12 HB2 SER 12 57.577 11.646 6.844 93 HB3 SER 12 HB1 SER 12 58.901 12.087 5.769 94 H ALA 13 HN ALA 13 57.702 9.904 8.181 95 HA ALA 13 HA ALA 13 60.078 8.400 9.068 96 HB1 ALA 13 HB1 ALA 13 61.009 10.582 9.266 97 HB2 ALA 13 HB2 ALA 13 60.469 10.167 10.892 98 HB3 ALA 13 HB3 ALA 13 59.503 11.252 9.892 99 H THR 14 HN THR 14 59.300 6.903 10.464 100 HA THR 14 HA THR 14 56.627 7.184 11.605 101 HB THR 14 HB THR 14 58.694 5.070 12.264 102 HG1 THR 14 HG1 THR 14 58.429 5.169 10.032 103 HG21 THR 14 HG21 THR 14 56.802 3.729 12.861 104 HG22 THR 14 HG22 THR 14 55.676 4.892 12.161 105 HG23 THR 14 HG23 THR 14 56.561 5.296 13.631 106 H ARG 15 HN ARG 15 59.847 6.657 13.100 107 HA ARG 15 HA ARG 15 59.481 8.742 15.048 108 HE ARG 15 HE ARG 15 59.222 5.255 18.533 109 HB2 ARG 15 HB2 ARG 15 59.214 7.292 17.052 110 HB3 ARG 15 HB1 ARG 15 57.817 7.201 15.980 111 HG2 ARG 15 HG2 ARG 15 58.932 5.161 14.920 112 HG3 ARG 15 HG1 ARG 15 60.053 5.187 16.283 113 HD2 ARG 15 HD2 ARG 15 57.039 5.095 16.585 114 HD3 ARG 15 HD1 ARG 15 58.073 3.667 16.622 115 HH11 ARG 15 HH21 ARG 15 55.988 4.295 17.821 116 HH12 ARG 15 HH22 ARG 15 55.467 4.351 19.472 117 HH21 ARG 15 HH11 ARG 15 58.560 5.333 20.693 118 HH22 ARG 15 HH12 ARG 15 56.923 4.939 21.097 119 H VAL 16 HN VAL 16 61.397 7.006 13.245 120 HA VAL 16 HA VAL 16 63.580 6.687 15.266 121 HB VAL 16 HB VAL 16 63.339 5.569 12.456 122 HG11 VAL 16 HG11 VAL 16 65.658 5.854 12.937 123 HG12 VAL 16 HG12 VAL 16 65.307 4.164 13.302 124 HG13 VAL 16 HG13 VAL 16 65.449 5.338 14.611 125 HG21 VAL 16 HG21 VAL 16 62.964 4.364 15.210 126 HG22 VAL 16 HG22 VAL 16 63.204 3.388 13.761 127 HG23 VAL 16 HG23 VAL 16 61.789 4.431 13.897 128 H MET 17 HN MET 17 63.716 7.274 11.755 129 HA MET 17 HA MET 17 65.705 9.412 12.264 130 HB2 MET 17 HB2 MET 17 66.223 9.249 9.908 131 HB3 MET 17 HB1 MET 17 66.109 7.608 10.545 132 HG2 MET 17 HG2 MET 17 64.800 7.424 8.628 133 HG3 MET 17 HG1 MET 17 63.576 7.833 9.829 134 HE1 MET 17 HE1 MET 17 62.709 9.586 6.384 135 HE2 MET 17 HE2 MET 17 62.590 8.094 7.313 136 HE3 MET 17 HE3 MET 17 64.028 8.410 6.346 137 H GLY 18 HN GLY 18 65.402 11.558 11.540 138 HA2 GLY 18 HA2 GLY 18 63.661 12.801 9.923 139 HA3 GLY 18 HA1 GLY 18 62.565 12.345 11.229 140 H GLY 19 HN GLY 19 62.989 15.039 10.652 141 HA2 GLY 19 HA2 GLY 19 63.287 16.978 11.979 142 HA3 GLY 19 HA1 GLY 19 64.017 15.970 13.229 143 HA PRO 20 HA PRO 20 67.314 18.726 11.326 144 HB2 PRO 20 HB2 PRO 20 68.335 18.119 14.077 145 HB3 PRO 20 HB1 PRO 20 68.358 19.649 13.178 146 HG2 PRO 20 HG2 PRO 20 66.616 19.221 15.142 147 HG3 PRO 20 HG1 PRO 20 66.170 20.137 13.692 148 HD2 PRO 20 HD2 PRO 20 65.387 17.368 14.481 149 HD3 PRO 20 HD1 PRO 20 64.501 18.557 13.502 150 H1U RCY 21 H1U RCY 21 66.830 8.949 6.476 151 H1S RCY 21 H1S RCY 21 68.089 12.944 7.316 152 HB1 RCY 21 HB1 RCY 21 68.687 15.117 8.198 153 HB2 RCY 21 HB2 RCY 21 67.742 14.239 9.401 154 HA RCY 21 HA RCY 21 69.556 14.773 11.081 155 HN1 RCY 21 HN1 RCY 21 67.829 16.881 9.915 156 H THR 22 HN THR 22 71.528 15.804 11.498 157 HA THR 22 HA THR 22 72.826 17.242 9.232 158 HB THR 22 HB THR 22 73.748 17.101 12.110 159 HG1 THR 22 HG1 THR 22 71.617 18.027 11.795 160 HG21 THR 22 HG21 THR 22 74.989 19.134 11.485 161 HG22 THR 22 HG22 THR 22 74.338 19.033 9.849 162 HG23 THR 22 HG23 THR 22 75.434 17.784 10.441 163 HA PRO 23 HA PRO 23 75.251 13.616 8.225 164 HB2 PRO 23 HB2 PRO 23 77.393 15.695 7.916 165 HB3 PRO 23 HB1 PRO 23 76.945 14.370 6.823 166 HG2 PRO 23 HG2 PRO 23 76.197 16.896 6.364 167 HG3 PRO 23 HG1 PRO 23 75.166 15.520 5.943 168 HD2 PRO 23 HD2 PRO 23 74.814 17.523 8.098 169 HD3 PRO 23 HD1 PRO 23 73.604 16.483 7.317 170 H ARG 24 HN ARG 24 76.750 12.295 9.321 171 HA ARG 24 HA ARG 24 77.571 13.253 11.995 172 HE ARG 24 HE ARG 24 80.303 10.742 10.615 173 HB2 ARG 24 HB2 ARG 24 78.242 10.865 12.331 174 HB3 ARG 24 HB1 ARG 24 76.547 11.050 11.885 175 HG2 ARG 24 HG2 ARG 24 76.852 9.787 10.045 176 HG3 ARG 24 HG1 ARG 24 78.145 10.853 9.495 177 HD2 ARG 24 HD2 ARG 24 78.504 8.641 11.537 178 HD3 ARG 24 HD1 ARG 24 78.908 8.495 9.827 179 HH11 ARG 24 HH21 ARG 24 79.974 7.506 11.758 180 HH12 ARG 24 HH22 ARG 24 81.578 7.431 12.406 181 HH21 ARG 24 HH11 ARG 24 82.400 10.662 11.454 182 HH22 ARG 24 HH12 ARG 24 82.952 9.218 12.234 183 H LYS 25 HN LYS 25 79.751 13.354 12.658 184 HA LYS 25 HA LYS 25 81.970 12.473 11.093 185 HB2 LYS 25 HB2 LYS 25 80.850 14.631 9.894 186 HB3 LYS 25 HB1 LYS 25 81.923 15.456 11.021 187 HG2 LYS 25 HG2 LYS 25 83.265 15.137 9.105 188 HG3 LYS 25 HG1 LYS 25 83.744 13.819 10.174 189 HD2 LYS 25 HD2 LYS 25 83.386 12.644 8.207 190 HD3 LYS 25 HD1 LYS 25 81.782 12.539 8.932 191 HE2 LYS 25 HE2 LYS 25 81.355 14.793 7.660 192 HE3 LYS 25 HE1 LYS 25 82.723 14.281 6.671 193 HZ1 LYS 25 HZ1 LYS 25 80.694 12.269 7.197 194 HZ2 LYS 25 HZ2 LYS 25 81.565 12.591 5.775 195 HZ3 LYS 25 HZ3 LYS 25 80.222 13.547 6.187 196 H GLY 26 HN GLY 26 82.288 11.811 13.374 197 HA2 GLY 26 HA2 GLY 26 83.874 13.852 14.814 198 HA3 GLY 26 HA1 GLY 26 82.516 13.144 15.691 199 HA PRO 27 HA PRO 27 84.987 9.868 17.326 200 HB2 PRO 27 HB2 PRO 27 82.884 8.103 16.113 201 HB3 PRO 27 HB1 PRO 27 83.582 8.060 17.744 202 HG2 PRO 27 HG2 PRO 27 81.176 9.133 17.245 203 HG3 PRO 27 HG1 PRO 27 82.251 9.757 18.505 204 HD2 PRO 27 HD2 PRO 27 81.493 10.992 15.933 205 HD3 PRO 27 HD1 PRO 27 82.191 11.748 17.382 206 HA PRO 28 HA PRO 28 87.596 8.904 13.794 207 HB2 PRO 28 HB2 PRO 28 88.155 6.459 15.440 208 HB3 PRO 28 HB1 PRO 28 89.292 7.548 14.622 209 HG2 PRO 28 HG2 PRO 28 88.862 7.665 17.262 210 HG3 PRO 28 HG1 PRO 28 89.213 9.108 16.298 211 HD2 PRO 28 HD2 PRO 28 86.667 8.291 17.569 212 HD3 PRO 28 HD1 PRO 28 87.201 9.905 17.051 213 H LYS 29 HN LYS 29 86.929 7.970 11.922 214 HA LYS 29 HA LYS 29 86.209 5.256 11.567 215 HB2 LYS 29 HB2 LYS 29 84.165 6.177 12.922 216 HB3 LYS 29 HB1 LYS 29 83.734 6.982 11.417 217 HG2 LYS 29 HG2 LYS 29 82.603 4.956 11.194 218 HG3 LYS 29 HG1 LYS 29 84.119 4.600 10.366 219 HD2 LYS 29 HD2 LYS 29 84.853 3.930 12.860 220 HD3 LYS 29 HD1 LYS 29 83.122 3.622 12.999 221 HE2 LYS 29 HE2 LYS 29 85.071 2.393 11.039 222 HE3 LYS 29 HE1 LYS 29 84.085 1.569 12.247 223 HZ1 LYS 29 HZ1 LYS 29 82.506 1.363 10.732 224 HZ2 LYS 29 HZ2 LYS 29 83.422 2.232 9.596 225 HZ3 LYS 29 HZ3 LYS 29 82.364 3.051 10.643 226 H1U RCY 30 H1U RCY 30 82.505 6.321 2.893 227 H1S RCY 30 H1S RCY 30 84.491 7.936 6.022 228 HB1 RCY 30 HB1 RCY 30 85.729 10.568 8.741 229 HB2 RCY 30 HB2 RCY 30 84.308 9.533 8.739 230 HA RCY 30 HA RCY 30 85.850 7.735 7.706 231 HN1 RCY 30 HN1 RCY 30 86.119 8.577 10.558 232 H LYS 31 HN LYS 31 87.156 9.516 6.292 233 HA LYS 31 HA LYS 31 89.339 9.998 5.551 234 HB2 LYS 31 HB2 LYS 31 89.558 10.908 8.437 235 HB3 LYS 31 HB1 LYS 31 90.615 11.407 7.117 236 HG2 LYS 31 HG2 LYS 31 88.898 12.615 6.038 237 HG3 LYS 31 HG1 LYS 31 87.629 11.790 6.944 238 HD2 LYS 31 HD2 LYS 31 88.218 12.939 8.972 239 HD3 LYS 31 HD1 LYS 31 89.688 13.589 8.245 240 HE2 LYS 31 HE2 LYS 31 87.544 15.103 8.403 241 HE3 LYS 31 HE1 LYS 31 88.519 15.127 6.934 242 HZ1 LYS 31 HZ1 LYS 31 86.372 13.148 7.138 243 HZ2 LYS 31 HZ2 LYS 31 86.975 13.957 5.771 244 HZ3 LYS 31 HZ3 LYS 31 85.938 14.763 6.849 245 H GLN 32 HN GLN 32 88.780 7.386 7.243 246 HA GLN 32 HA GLN 32 91.268 6.739 8.508 247 HB2 GLN 32 HB2 GLN 32 89.295 5.428 9.016 248 HB3 GLN 32 HB1 GLN 32 89.109 4.975 7.322 249 HG2 GLN 32 HG2 GLN 32 90.176 3.187 8.744 250 HG3 GLN 32 HG1 GLN 32 91.162 3.693 7.372 251 HE21 GLN 32 HE21 GLN 32 93.311 3.796 8.034 252 HE22 GLN 32 HE22 GLN 32 93.845 4.438 9.512 253 H ARG 33 HN ARG 33 90.109 6.469 5.211 254 HA ARG 33 HA ARG 33 91.192 5.758 3.244 255 HE ARG 33 HE ARG 33 95.413 8.641 4.078 256 HB2 ARG 33 HB2 ARG 33 92.401 7.881 3.867 257 HB3 ARG 33 HB1 ARG 33 93.627 6.885 4.652 258 HG2 ARG 33 HG2 ARG 33 94.060 5.726 2.521 259 HG3 ARG 33 HG1 ARG 33 92.829 6.711 1.731 260 HD2 ARG 33 HD2 ARG 33 95.183 7.549 1.394 261 HD3 ARG 33 HD1 ARG 33 94.096 8.731 2.123 262 HH11 ARG 33 HH21 ARG 33 95.940 5.918 2.031 263 HH12 ARG 33 HH22 ARG 33 97.248 5.291 2.977 264 HH21 ARG 33 HH11 ARG 33 97.118 7.839 5.326 265 HH22 ARG 33 HH12 ARG 33 97.916 6.379 4.843 266 H GLN 34 HN GLN 34 91.183 3.527 3.238 267 HA GLN 34 HA GLN 34 93.634 2.199 4.317 268 HB2 GLN 34 HB2 GLN 34 91.878 0.203 4.651 269 HB3 GLN 34 HB1 GLN 34 92.162 1.402 5.911 270 HG2 GLN 34 HG2 GLN 34 89.735 1.052 5.471 271 HG3 GLN 34 HG1 GLN 34 90.242 2.711 5.150 272 HE21 GLN 34 HE21 GLN 34 88.689 -0.016 3.767 273 HE22 GLN 34 HE22 GLN 34 88.675 0.520 2.157 274 H THR 35 HN THR 35 93.192 -0.348 3.400 275 HA THR 35 HA THR 35 93.992 -0.327 0.742 276 HB THR 35 HB THR 35 93.369 -2.654 0.628 277 HG1 THR 35 HG1 THR 35 91.799 -2.278 2.944 278 HG21 THR 35 HG21 THR 35 95.129 -1.919 2.314 279 HG22 THR 35 HG22 THR 35 94.393 -3.492 2.621 280 HG23 THR 35 HG23 THR 35 93.884 -2.084 3.553 281 H ARG 36 HN ARG 36 92.821 1.190 -0.509 282 HA ARG 36 HA ARG 36 90.066 1.537 -0.714 283 HE ARG 36 HE ARG 36 92.388 6.253 -2.182 284 HB2 ARG 36 HB2 ARG 36 91.976 1.490 -3.070 285 HB3 ARG 36 HB1 ARG 36 90.444 2.359 -2.972 286 HG2 ARG 36 HG2 ARG 36 91.356 3.676 -1.059 287 HG3 ARG 36 HG1 ARG 36 92.907 2.865 -1.278 288 HD2 ARG 36 HD2 ARG 36 93.132 3.776 -3.517 289 HD3 ARG 36 HD1 ARG 36 91.509 4.462 -3.442 290 HH11 ARG 36 HH21 ARG 36 94.511 3.538 -2.247 291 HH12 ARG 36 HH22 ARG 36 95.810 4.365 -1.455 292 HH21 ARG 36 HH11 ARG 36 94.072 7.350 -1.147 293 HH22 ARG 36 HH12 ARG 36 95.561 6.524 -0.831 294 H GLN 37 HN GLN 37 91.927 -1.226 -1.626 295 HA GLN 37 HA GLN 37 89.936 -2.306 -3.475 296 HB2 GLN 37 HB2 GLN 37 92.203 -3.748 -2.067 297 HB3 GLN 37 HB1 GLN 37 91.334 -4.294 -3.501 298 HG2 GLN 37 HG2 GLN 37 93.330 -3.340 -4.352 299 HG3 GLN 37 HG1 GLN 37 92.108 -2.090 -4.591 300 HE21 GLN 37 HE21 GLN 37 94.120 -0.619 -4.544 301 HE22 GLN 37 HE22 GLN 37 94.673 -0.095 -3.027 302 H1U RCY 38 H1U RCY 38 86.272 -0.000 -2.157 303 H1S RCY 38 H1S RCY 38 84.891 -3.319 0.811 304 HB1 RCY 38 HB1 RCY 38 86.846 -5.731 -1.614 305 HB2 RCY 38 HB2 RCY 38 87.170 -4.015 -1.369 306 HA RCY 38 HA RCY 38 88.985 -5.022 0.342 307 HN1 RCY 38 HN1 RCY 38 90.103 -5.039 -2.304 308 H LYS 39 HN LYS 39 88.986 -7.117 1.123 309 HA LYS 39 HA LYS 39 89.595 -9.392 1.107 310 HB2 LYS 39 HB2 LYS 39 87.598 -9.155 -1.156 311 HB3 LYS 39 HB1 LYS 39 88.263 -10.707 -0.655 312 HG2 LYS 39 HG2 LYS 39 86.280 -10.523 0.612 313 HG3 LYS 39 HG1 LYS 39 87.539 -10.013 1.737 314 HD2 LYS 39 HD2 LYS 39 86.801 -7.693 0.311 315 HD3 LYS 39 HD1 LYS 39 85.290 -8.501 0.730 316 HE2 LYS 39 HE2 LYS 39 86.208 -8.726 3.095 317 HE3 LYS 39 HE1 LYS 39 87.499 -7.629 2.605 318 HZ1 LYS 39 HZ1 LYS 39 86.129 -5.884 2.636 319 HZ2 LYS 39 HZ2 LYS 39 85.101 -6.864 3.569 320 HZ3 LYS 39 HZ3 LYS 39 84.858 -6.727 1.893 321 H SER 40 HN SER 40 89.238 -10.318 -2.054 322 HA SER 40 HA SER 40 91.390 -9.385 -3.527 323 HG SER 40 HG SER 40 94.068 -9.828 -1.497 324 HB2 SER 40 HB2 SER 40 92.255 -11.138 -1.278 325 HB3 SER 40 HB1 SER 40 93.014 -11.429 -2.841 326 H LYS 41 HN LYS 41 88.831 -11.165 -3.294 327 HA LYS 41 HA LYS 41 89.673 -13.531 -4.839 328 HB2 LYS 41 HB2 LYS 41 86.820 -12.711 -4.300 329 HB3 LYS 41 HB1 LYS 41 87.473 -14.334 -4.533 330 HG2 LYS 41 HG2 LYS 41 88.827 -13.952 -2.403 331 HG3 LYS 41 HG1 LYS 41 87.829 -12.522 -2.138 332 HD2 LYS 41 HD2 LYS 41 85.810 -14.097 -2.445 333 HD3 LYS 41 HD1 LYS 41 86.965 -15.413 -2.233 334 HE2 LYS 41 HE2 LYS 41 86.125 -13.301 -0.264 335 HE3 LYS 41 HE1 LYS 41 86.239 -15.047 -0.039 336 HZ1 LYS 41 HZ1 LYS 41 88.490 -13.132 -0.308 337 HZ2 LYS 41 HZ2 LYS 41 88.674 -14.821 -0.284 338 HZ3 LYS 41 HZ3 LYS 41 88.059 -14.011 1.077 339 HA PRO 42 HA PRO 42 88.924 -11.572 -8.748 340 HB2 PRO 42 HB2 PRO 42 88.457 -13.762 -10.315 341 HB3 PRO 42 HB1 PRO 42 90.068 -13.341 -9.701 342 HG2 PRO 42 HG2 PRO 42 88.136 -15.365 -8.686 343 HG3 PRO 42 HG1 PRO 42 89.898 -15.464 -8.843 344 HD2 PRO 42 HD2 PRO 42 88.634 -14.953 -6.461 345 HD3 PRO 42 HD1 PRO 42 90.272 -14.374 -6.837 346 HA PRO 43 HA PRO 43 84.487 -11.283 -9.140 347 HB2 PRO 43 HB2 PRO 43 84.277 -10.012 -11.525 348 HB3 PRO 43 HB1 PRO 43 84.935 -9.209 -10.084 349 HG2 PRO 43 HG2 PRO 43 86.384 -10.405 -12.395 350 HG3 PRO 43 HG1 PRO 43 86.703 -8.898 -11.520 351 HD2 PRO 43 HD2 PRO 43 88.092 -11.239 -11.077 352 HD3 PRO 43 HD1 PRO 43 87.895 -9.963 -9.855 353 H LYS 44 HN LYS 44 82.689 -12.252 -10.258 354 HA LYS 44 HA LYS 44 83.461 -14.546 -11.980 355 HB2 LYS 44 HB2 LYS 44 80.697 -13.899 -10.933 356 HB3 LYS 44 HB1 LYS 44 81.306 -15.455 -11.494 357 HG2 LYS 44 HG2 LYS 44 81.682 -15.869 -9.288 358 HG3 LYS 44 HG1 LYS 44 83.102 -14.846 -9.507 359 HD2 LYS 44 HD2 LYS 44 82.036 -13.847 -7.671 360 HD3 LYS 44 HD1 LYS 44 81.453 -12.878 -9.025 361 HE2 LYS 44 HE2 LYS 44 79.476 -13.375 -7.859 362 HE3 LYS 44 HE1 LYS 44 79.506 -14.610 -9.117 363 HZ1 LYS 44 HZ1 LYS 44 80.630 -15.023 -6.406 364 HZ2 LYS 44 HZ2 LYS 44 80.347 -16.196 -7.601 365 HZ3 LYS 44 HZ3 LYS 44 79.040 -15.439 -6.824 366 H LYS 45 HN LYS 45 81.677 -11.515 -12.088 367 HA LYS 45 HA LYS 45 81.738 -11.544 -14.998 368 HB2 LYS 45 HB2 LYS 45 79.556 -12.815 -13.828 369 HB3 LYS 45 HB1 LYS 45 78.942 -11.198 -14.146 370 HG2 LYS 45 HG2 LYS 45 80.453 -12.743 -16.255 371 HG3 LYS 45 HG1 LYS 45 78.713 -12.939 -16.043 372 HD2 LYS 45 HD2 LYS 45 80.102 -10.285 -16.516 373 HD3 LYS 45 HD1 LYS 45 79.272 -11.220 -17.761 374 HE2 LYS 45 HE2 LYS 45 78.144 -9.603 -15.543 375 HE3 LYS 45 HE1 LYS 45 77.486 -9.930 -17.147 376 HZ1 LYS 45 HZ1 LYS 45 76.740 -12.040 -16.472 377 HZ2 LYS 45 HZ2 LYS 45 76.285 -10.981 -15.224 378 HZ3 LYS 45 HZ3 LYS 45 77.633 -11.996 -15.031 379 H GLY 46 HN GLY 46 81.042 -10.061 -11.950 380 HA2 GLY 46 HA2 GLY 46 80.138 -7.513 -13.009 381 HA3 GLY 46 HA1 GLY 46 80.672 -7.810 -11.354 382 H VAL 47 HN VAL 47 82.650 -8.599 -14.151 383 HA VAL 47 HA VAL 47 84.847 -7.906 -14.635 384 HB VAL 47 HB VAL 47 84.071 -5.076 -14.080 385 HG11 VAL 47 HG11 VAL 47 86.150 -5.978 -15.335 386 HG12 VAL 47 HG12 VAL 47 85.245 -4.666 -16.091 387 HG13 VAL 47 HG13 VAL 47 85.031 -6.323 -16.654 388 HG21 VAL 47 HG21 VAL 47 81.933 -5.808 -14.815 389 HG22 VAL 47 HG22 VAL 47 82.631 -6.922 -15.990 390 HG23 VAL 47 HG23 VAL 47 82.710 -5.183 -16.269 391 H GLN 48 HN GLN 48 86.259 -5.620 -13.635 392 HA GLN 48 HA GLN 48 87.495 -6.613 -11.338 393 HB2 GLN 48 HB2 GLN 48 88.228 -4.638 -12.783 394 HB3 GLN 48 HB1 GLN 48 87.110 -3.653 -11.838 395 HG2 GLN 48 HG2 GLN 48 88.295 -4.511 -9.758 396 HG3 GLN 48 HG1 GLN 48 89.520 -5.183 -10.835 397 HE21 GLN 48 HE21 GLN 48 90.005 -3.029 -8.902 398 HE22 GLN 48 HE22 GLN 48 90.452 -1.656 -9.794 399 H GLY 49 HN GLY 49 85.955 -7.398 -9.830 400 HA2 GLY 49 HA2 GLY 49 84.047 -5.454 -8.661 401 HA3 GLY 49 HA1 GLY 49 84.076 -7.188 -8.338 402 H1U RCY 50 H1U RCY 50 85.338 0.935 -1.964 403 H1S RCY 50 H1S RCY 50 84.911 -3.530 -3.588 404 HB1 RCY 50 HB1 RCY 50 88.093 -3.546 -6.553 405 HB2 RCY 50 HB2 RCY 50 88.119 -3.989 -4.847 406 HA RCY 50 HA RCY 50 88.688 -5.881 -6.421 407 HN1 RCY 50 HN1 RCY 50 87.185 -5.876 -8.257 408 H GLY 51 HN GLY 51 86.462 -7.861 -6.209 409 HA2 GLY 51 HA2 GLY 51 86.768 -9.330 -4.073 410 HA3 GLY 51 HA1 GLY 51 86.078 -7.930 -3.250 411 H ASP 52 HN ASP 52 85.163 -10.852 -4.063 412 HA ASP 52 HA ASP 52 82.464 -10.017 -5.066 413 HB2 ASP 52 HB2 ASP 52 82.250 -12.280 -5.988 414 HB3 ASP 52 HB1 ASP 52 83.703 -11.505 -6.620 415 H ASP 53 HN ASP 53 81.474 -12.751 -4.445 416 HA ASP 53 HA ASP 53 80.324 -13.776 -2.680 417 HB2 ASP 53 HB2 ASP 53 82.888 -12.948 -1.296 418 HB3 ASP 53 HB1 ASP 53 81.652 -13.939 -0.523 419 H ILE 54 HN ILE 54 79.179 -13.309 -0.613 420 HA ILE 54 HA ILE 54 78.526 -10.429 -0.461 421 HB ILE 54 HB ILE 54 76.800 -11.496 1.277 422 HG12 ILE 54 HG12 ILE 54 78.164 -13.738 0.813 423 HG13 ILE 54 HG11 ILE 54 76.418 -13.774 1.059 424 HG21 ILE 54 HG21 ILE 54 75.976 -10.425 -0.669 425 HG22 ILE 54 HG22 ILE 54 75.350 -12.070 -0.782 426 HG23 ILE 54 HG23 ILE 54 76.751 -11.592 -1.741 427 HD11 ILE 54 HD11 ILE 54 75.972 -14.012 -1.235 428 HD12 ILE 54 HD12 ILE 54 77.405 -15.015 -1.010 429 HD13 ILE 54 HD13 ILE 54 77.559 -13.400 -1.703 430 HA PRO 55 HA PRO 55 81.184 -10.336 3.188 431 HB2 PRO 55 HB2 PRO 55 81.092 -7.657 3.634 432 HB3 PRO 55 HB1 PRO 55 82.041 -8.368 2.315 433 HG2 PRO 55 HG2 PRO 55 79.385 -7.035 2.217 434 HG3 PRO 55 HG1 PRO 55 80.736 -6.948 1.075 435 HD2 PRO 55 HD2 PRO 55 78.493 -8.529 0.701 436 HD3 PRO 55 HD1 PRO 55 80.073 -8.846 -0.049 437 H GLY 56 HN GLY 56 78.549 -11.221 3.658 438 HA2 GLY 56 HA2 GLY 56 77.076 -11.418 5.478 439 HA3 GLY 56 HA1 GLY 56 78.144 -10.337 6.374 440 H MET 57 HN MET 57 75.450 -10.430 4.083 441 HA MET 57 HA MET 57 74.974 -7.714 3.655 442 HB2 MET 57 HB2 MET 57 73.134 -10.067 4.031 443 HB3 MET 57 HB1 MET 57 72.457 -8.450 3.838 444 HG2 MET 57 HG2 MET 57 74.510 -9.561 1.919 445 HG3 MET 57 HG1 MET 57 72.781 -9.818 1.689 446 HE1 MET 57 HE1 MET 57 75.154 -8.283 -0.018 447 HE2 MET 57 HE2 MET 57 74.227 -6.997 -0.787 448 HE3 MET 57 HE3 MET 57 73.568 -8.629 -0.720 449 H GLU 58 HN GLU 58 73.220 -9.515 6.200 450 HA GLU 58 HA GLU 58 72.311 -7.317 7.659 451 HB2 GLU 58 HB2 GLU 58 73.336 -9.711 9.160 452 HB3 GLU 58 HB1 GLU 58 71.830 -8.816 9.378 453 HG2 GLU 58 HG2 GLU 58 71.161 -9.685 7.057 454 HG3 GLU 58 HG1 GLU 58 72.514 -10.807 7.211 455 H GLY 59 HN GLY 59 73.581 -5.607 8.258 456 HA2 GLY 59 HA2 GLY 59 75.772 -6.066 10.134 457 HA3 GLY 59 HA1 GLY 59 76.317 -5.457 8.571 458 H1U RCY 60 H1U RCY 60 73.934 4.418 7.012 459 H1S RCY 60 H1S RCY 60 73.833 0.932 9.539 460 HB1 RCY 60 HB1 RCY 60 73.051 -0.776 9.420 461 HB2 RCY 60 HB2 RCY 60 73.981 -2.010 8.572 462 HA RCY 60 HA RCY 60 73.975 -2.263 11.523 463 HN1 RCY 60 HN1 RCY 60 73.302 -4.643 10.253 464 H GLY 61 HN GLY 61 71.643 -2.093 8.897 465 HA2 GLY 61 HA2 GLY 61 69.455 -2.288 10.923 466 HA3 GLY 61 HA1 GLY 61 69.346 -1.354 9.430 467 H THR 62 HN THR 62 69.244 -4.581 10.797 468 HA THR 62 HA THR 62 69.012 -6.018 8.317 469 HB THR 62 HB THR 62 68.340 -7.883 9.649 470 HG1 THR 62 HG1 THR 62 67.464 -5.864 11.400 471 HG21 THR 62 HG21 THR 62 70.654 -6.901 10.067 472 HG22 THR 62 HG22 THR 62 70.024 -7.940 11.345 473 HG23 THR 62 HG23 THR 62 69.986 -6.187 11.534 474 H ASP 63 HN ASP 63 67.329 -3.630 8.391 475 HA ASP 63 HA ASP 63 64.575 -4.386 8.799 476 HB2 ASP 63 HB2 ASP 63 65.505 -2.015 8.721 477 HB3 ASP 63 HB1 ASP 63 65.586 -2.198 6.968 478 H ILE 64 HN ILE 64 66.707 -5.601 6.626 479 HA ILE 64 HA ILE 64 64.519 -6.396 4.810 480 HB ILE 64 HB ILE 64 65.495 -4.342 3.802 481 HG12 ILE 64 HG12 ILE 64 65.922 -5.345 1.579 482 HG13 ILE 64 HG11 ILE 64 66.101 -6.930 2.334 483 HG21 ILE 64 HG21 ILE 64 67.778 -4.280 3.099 484 HG22 ILE 64 HG22 ILE 64 68.008 -5.992 3.458 485 HG23 ILE 64 HG23 ILE 64 67.808 -4.834 4.773 486 HD11 ILE 64 HD11 ILE 64 63.611 -5.396 2.930 487 HD12 ILE 64 HD12 ILE 64 63.846 -7.136 2.763 488 HD13 ILE 64 HD13 ILE 64 63.760 -6.116 1.327 489 H THR 65 HN THR 65 67.961 -6.655 5.637 490 HA THR 65 HA THR 65 69.126 -8.699 6.067 491 HB THR 65 HB THR 65 67.182 -10.230 4.356 492 HG1 THR 65 HG1 THR 65 66.456 -10.424 6.872 493 HG21 THR 65 HG21 THR 65 69.238 -11.309 5.219 494 HG22 THR 65 HG22 THR 65 67.785 -12.032 5.908 495 HG23 THR 65 HG23 THR 65 68.747 -10.904 6.863 496 H VAL 66 HN VAL 66 67.859 -7.697 2.955 497 HA VAL 66 HA VAL 66 70.440 -8.580 1.727 498 HB VAL 66 HB VAL 66 67.822 -8.598 0.226 499 HG11 VAL 66 HG11 VAL 66 70.135 -8.613 -0.901 500 HG12 VAL 66 HG12 VAL 66 69.021 -9.900 -1.362 501 HG13 VAL 66 HG13 VAL 66 70.327 -10.229 -0.223 502 HG21 VAL 66 HG21 VAL 66 69.085 -10.768 1.918 503 HG22 VAL 66 HG22 VAL 66 67.937 -11.123 0.627 504 HG23 VAL 66 HG23 VAL 66 67.436 -10.148 2.009 505 H ILE 67 HN ILE 67 67.640 -6.819 0.376 506 HA ILE 67 HA ILE 67 69.410 -4.416 0.104 507 HB ILE 67 HB ILE 67 67.805 -5.779 -2.068 508 HG12 ILE 67 HG12 ILE 67 70.655 -4.789 -2.163 509 HG13 ILE 67 HG11 ILE 67 70.266 -6.367 -1.477 510 HG21 ILE 67 HG21 ILE 67 68.848 -2.956 -1.860 511 HG22 ILE 67 HG22 ILE 67 67.261 -3.506 -2.397 512 HG23 ILE 67 HG23 ILE 67 68.672 -3.744 -3.428 513 HD11 ILE 67 HD11 ILE 67 69.296 -5.534 -4.215 514 HD12 ILE 67 HD12 ILE 67 69.371 -7.159 -3.533 515 HD13 ILE 67 HD13 ILE 67 70.857 -6.319 -3.976 516 H1U RCY 68 H1U RCY 68 73.489 0.381 4.651 517 H1S RCY 68 H1S RCY 68 68.700 0.205 4.293 518 HB1 RCY 68 HB1 RCY 68 67.191 -2.208 3.512 519 HB2 RCY 68 HB2 RCY 68 65.820 -1.136 3.243 520 HA RCY 68 HA RCY 68 65.443 -3.043 1.838 521 HN1 RCY 68 HN1 RCY 68 68.289 -3.176 1.596 522 HA PRO 69 HA PRO 69 64.309 -0.627 -1.685 523 HB2 PRO 69 HB2 PRO 69 62.284 0.929 -0.596 524 HB3 PRO 69 HB1 PRO 69 62.088 -0.751 -1.129 525 HG2 PRO 69 HG2 PRO 69 62.466 0.328 1.612 526 HG3 PRO 69 HG1 PRO 69 61.471 -1.028 1.055 527 HD2 PRO 69 HD2 PRO 69 63.868 -1.392 2.304 528 HD3 PRO 69 HD1 PRO 69 63.251 -2.520 1.075 529 H TRP 70 HN TRP 70 65.594 0.808 1.138 530 HA TRP 70 HA TRP 70 65.502 3.566 0.164 531 HD1 TRP 70 HD1 TRP 70 66.042 5.630 0.788 532 HE1 TRP 70 HE1 TRP 70 67.741 7.440 1.479 533 HE3 TRP 70 HE3 TRP 70 68.953 2.928 3.997 534 HZ2 TRP 70 HZ2 TRP 70 70.036 7.708 3.173 535 HZ3 TRP 70 HZ3 TRP 70 70.884 3.981 5.133 536 HH2 TRP 70 HH2 TRP 70 71.430 6.364 4.727 537 HB2 TRP 70 HB2 TRP 70 65.562 3.136 2.582 538 HB3 TRP 70 HB1 TRP 70 67.101 2.294 2.410 539 H GLU 71 HN GLU 71 66.882 1.169 -1.266 540 HA GLU 71 HA GLU 71 69.626 2.296 -1.517 541 HB2 GLU 71 HB2 GLU 71 68.451 -0.351 -1.726 542 HB3 GLU 71 HB1 GLU 71 69.317 0.038 -3.211 543 HG2 GLU 71 HG2 GLU 71 71.260 0.781 -1.731 544 HG3 GLU 71 HG1 GLU 71 70.401 0.032 -0.384 545 H ALA 72 HN ALA 72 66.577 2.139 -3.125 546 HA ALA 72 HA ALA 72 67.325 2.414 -5.837 547 HB1 ALA 72 HB1 ALA 72 65.133 3.398 -6.184 548 HB2 ALA 72 HB2 ALA 72 65.001 3.802 -4.472 549 HB3 ALA 72 HB3 ALA 72 64.984 2.114 -4.984 550 H1U RCY 73 H1U RCY 73 74.823 4.529 -0.871 551 H1S RCY 73 H1S RCY 73 70.686 5.018 -2.717 552 HB1 RCY 73 HB1 RCY 73 67.447 7.561 -2.410 553 HB2 RCY 73 HB2 RCY 73 69.146 7.842 -2.784 554 HA RCY 73 HA RCY 73 67.435 7.189 -4.703 555 HN1 RCY 73 HN1 RCY 73 67.302 4.807 -3.235 556 H ASN 74 HN ASN 74 68.628 7.281 -6.574 557 HA ASN 74 HA ASN 74 71.346 6.136 -6.656 558 HB2 ASN 74 HB2 ASN 74 71.206 7.176 -9.050 559 HB3 ASN 74 HB1 ASN 74 70.208 5.770 -8.678 560 HD21 ASN 74 HD21 ASN 74 70.089 8.960 -9.871 561 HD22 ASN 74 HD22 ASN 74 68.416 9.206 -9.731 562 H HIS 75 HN HIS 75 70.634 9.106 -8.343 563 HA HIS 75 HA HIS 75 71.633 11.222 -8.225 564 HD1 HIS 75 HD1 HIS 75 71.261 13.146 -8.029 565 HD2 HIS 75 HD2 HIS 75 72.824 13.141 -4.162 566 HE1 HIS 75 HE1 HIS 75 71.982 15.525 -7.546 567 HE2 HIS 75 HE2 HIS 75 72.936 15.536 -5.195 568 HB2 HIS 75 HB2 HIS 75 70.559 11.020 -5.877 569 HB3 HIS 75 HB1 HIS 75 72.191 10.669 -5.309 570 H1U RCY 76 H1U RCY 76 77.022 8.731 -0.546 571 H1S RCY 76 H1S RCY 76 77.552 10.115 -4.653 572 HB1 RCY 76 HB1 RCY 76 75.600 11.526 -6.594 573 HB2 RCY 76 HB2 RCY 76 77.173 11.571 -7.388 574 HA RCY 76 HA RCY 76 75.945 11.600 -9.308 575 HN1 RCY 76 HN1 RCY 76 73.610 11.604 -9.063 576 H GLU 77 HN GLU 77 74.422 8.608 -8.175 577 HA GLU 77 HA GLU 77 76.456 6.872 -9.285 578 HB2 GLU 77 HB2 GLU 77 73.621 6.447 -8.334 579 HB3 GLU 77 HB1 GLU 77 74.550 5.139 -9.067 580 HG2 GLU 77 HG2 GLU 77 75.643 6.776 -6.776 581 HG3 GLU 77 HG1 GLU 77 74.662 5.335 -6.506 582 H LEU 78 HN LEU 78 76.751 6.417 -11.411 583 HA LEU 78 HA LEU 78 74.754 7.326 -13.371 584 HG LEU 78 HG LEU 78 75.359 6.714 -15.664 585 HB2 LEU 78 HB2 LEU 78 77.365 7.452 -13.559 586 HB3 LEU 78 HB1 LEU 78 77.239 5.765 -14.058 587 HD11 LEU 78 HD11 LEU 78 75.657 8.974 -16.337 588 HD12 LEU 78 HD12 LEU 78 77.188 9.112 -15.472 589 HD13 LEU 78 HD13 LEU 78 75.672 9.024 -14.574 590 HD21 LEU 78 HD21 LEU 78 77.364 5.616 -16.478 591 HD22 LEU 78 HD22 LEU 78 78.348 7.025 -16.082 592 HD23 LEU 78 HD23 LEU 78 77.159 7.116 -17.382 593 H HIS 79 HN HIS 79 73.664 5.334 -11.795 594 HA HIS 79 HA HIS 79 72.883 3.385 -13.772 595 HD1 HIS 79 HD1 HIS 79 76.765 2.743 -13.699 596 HD2 HIS 79 HD2 HIS 79 73.332 0.663 -14.831 597 HE1 HIS 79 HE1 HIS 79 77.260 1.725 -15.965 598 HE2 HIS 79 HE2 HIS 79 75.178 0.456 -16.666 599 HB2 HIS 79 HB2 HIS 79 75.053 2.694 -11.864 600 HB3 HIS 79 HB1 HIS 79 73.767 1.497 -12.011 601 H GLU 80 HN GLU 80 70.977 4.601 -12.858 602 HA GLU 80 HA GLU 80 70.129 3.890 -10.136 603 HB2 GLU 80 HB2 GLU 80 68.174 5.056 -12.063 604 HB3 GLU 80 HB1 GLU 80 68.512 5.508 -10.393 605 HG2 GLU 80 HG2 GLU 80 69.392 7.329 -11.567 606 HG3 GLU 80 HG1 GLU 80 70.817 6.311 -11.359 607 H LEU 81 HN LEU 81 70.248 2.203 -12.944 608 HA LEU 81 HA LEU 81 67.624 0.841 -12.568 609 HG LEU 81 HG LEU 81 68.584 2.779 -14.632 610 HB2 LEU 81 HB2 LEU 81 69.691 0.510 -14.766 611 HB3 LEU 81 HB1 LEU 81 68.080 -0.207 -14.739 612 HD11 LEU 81 HD11 LEU 81 67.686 2.636 -17.037 613 HD12 LEU 81 HD12 LEU 81 68.066 0.916 -16.955 614 HD13 LEU 81 HD13 LEU 81 69.351 2.112 -16.783 615 HD21 LEU 81 HD21 LEU 81 66.118 2.655 -15.468 616 HD22 LEU 81 HD22 LEU 81 66.436 2.353 -13.760 617 HD23 LEU 81 HD23 LEU 81 66.159 1.001 -14.858 618 H ALA 82 HN ALA 82 70.913 -0.297 -13.412 619 HA ALA 82 HA ALA 82 70.480 -2.879 -12.212 620 HB1 ALA 82 HB1 ALA 82 72.886 -3.220 -12.583 621 HB2 ALA 82 HB2 ALA 82 73.095 -1.496 -12.891 622 HB3 ALA 82 HB3 ALA 82 72.147 -2.482 -14.005 623 H GLN 83 HN GLN 83 69.951 -0.610 -10.405 624 HA GLN 83 HA GLN 83 72.025 -0.218 -8.513 625 HB2 GLN 83 HB2 GLN 83 69.013 -0.210 -8.246 626 HB3 GLN 83 HB1 GLN 83 70.079 0.179 -6.895 627 HG2 GLN 83 HG2 GLN 83 70.967 2.082 -7.996 628 HG3 GLN 83 HG1 GLN 83 70.344 1.568 -9.564 629 HE21 GLN 83 HE21 GLN 83 69.790 4.124 -8.042 630 HE22 GLN 83 HE22 GLN 83 68.101 4.182 -7.877 631 H TYR 84 HN TYR 84 69.393 -2.648 -8.514 632 HA TYR 84 HA TYR 84 70.713 -4.053 -6.270 633 HD1 TYR 84 HD1 TYR 84 68.353 -5.642 -9.354 634 HD2 TYR 84 HD2 TYR 84 67.038 -2.460 -6.785 635 HE1 TYR 84 HE1 TYR 84 66.831 -4.832 -11.136 636 HE2 TYR 84 HE2 TYR 84 65.516 -1.650 -8.567 637 HH TYR 84 HH TYR 84 64.326 -2.904 -10.676 638 HB2 TYR 84 HB2 TYR 84 68.669 -5.673 -6.812 639 HB3 TYR 84 HB1 TYR 84 68.422 -4.172 -5.921 640 H GLY 85 HN GLY 85 71.736 -3.865 -9.168 641 HA2 GLY 85 HA2 GLY 85 72.194 -6.803 -9.490 642 HA3 GLY 85 HA1 GLY 85 71.864 -5.782 -10.892 643 H ILE 86 HN ILE 86 73.423 -3.582 -9.426 644 HA ILE 86 HA ILE 86 76.128 -4.415 -9.097 645 HB ILE 86 HB ILE 86 75.419 -4.601 -11.756 646 HG12 ILE 86 HG12 ILE 86 78.005 -4.178 -12.081 647 HG13 ILE 86 HG11 ILE 86 78.009 -4.098 -10.319 648 HG21 ILE 86 HG21 ILE 86 75.106 -2.075 -11.719 649 HG22 ILE 86 HG22 ILE 86 76.225 -2.677 -12.942 650 HG23 ILE 86 HG23 ILE 86 76.846 -1.947 -11.462 651 HD11 ILE 86 HD11 ILE 86 78.448 -6.401 -11.136 652 HD12 ILE 86 HD12 ILE 86 76.885 -6.393 -11.952 653 HD13 ILE 86 HD13 ILE 86 76.960 -6.312 -10.192 654 H1U RCY 87 H1U RCY 87 80.590 -3.521 -2.728 655 H1S RCY 87 H1S RCY 87 77.443 -0.435 -4.789 656 HB1 RCY 87 HB1 RCY 87 78.907 0.488 -8.897 657 HB2 RCY 87 HB2 RCY 87 78.901 -1.098 -8.128 658 HA RCY 87 HA RCY 87 76.253 -0.202 -7.911 659 HN1 RCY 87 HN1 RCY 87 77.615 -2.344 -9.351 Start of MODEL 42 1 HA MET 1 HA MET 1 58.637 5.238 -17.991 2 HB2 MET 1 HB2 MET 1 60.516 6.181 -19.513 3 HB3 MET 1 HB1 MET 1 59.662 7.314 -18.464 4 HG2 MET 1 HG2 MET 1 62.181 5.940 -17.537 5 HG3 MET 1 HG1 MET 1 62.252 7.419 -18.494 6 HE1 MET 1 HE1 MET 1 62.708 9.643 -15.651 7 HE2 MET 1 HE2 MET 1 62.508 9.594 -17.401 8 HE3 MET 1 HE3 MET 1 63.602 8.459 -16.613 9 H ASN 2 HN ASN 2 59.207 3.789 -19.743 10 HA ASN 2 HA ASN 2 59.877 1.606 -20.355 11 HB2 ASN 2 HB2 ASN 2 62.370 1.492 -20.676 12 HB3 ASN 2 HB1 ASN 2 61.628 2.933 -21.371 13 HD21 ASN 2 HD21 ASN 2 62.388 4.949 -20.632 14 HD22 ASN 2 HD22 ASN 2 63.452 5.145 -19.324 15 H LEU 3 HN LEU 3 59.267 1.860 -17.512 16 HA LEU 3 HA LEU 3 61.279 0.005 -16.305 17 HG LEU 3 HG LEU 3 60.408 -0.560 -13.928 18 HB2 LEU 3 HB2 LEU 3 60.685 2.182 -15.122 19 HB3 LEU 3 HB1 LEU 3 59.073 1.511 -14.880 20 HD11 LEU 3 HD11 LEU 3 62.635 0.252 -14.497 21 HD12 LEU 3 HD12 LEU 3 62.469 0.216 -12.741 22 HD13 LEU 3 HD13 LEU 3 62.350 1.748 -13.607 23 HD21 LEU 3 HD21 LEU 3 60.109 2.058 -12.420 24 HD22 LEU 3 HD22 LEU 3 60.286 0.470 -11.675 25 HD23 LEU 3 HD23 LEU 3 58.851 0.840 -12.631 26 H GLU 4 HN GLU 4 60.484 -1.949 -17.227 27 HA GLU 4 HA GLU 4 57.641 -2.628 -16.890 28 HB2 GLU 4 HB2 GLU 4 58.221 -4.707 -18.046 29 HB3 GLU 4 HB1 GLU 4 58.904 -3.335 -18.919 30 HG2 GLU 4 HG2 GLU 4 61.050 -3.724 -17.603 31 HG3 GLU 4 HG1 GLU 4 60.343 -5.250 -17.071 32 HA PRO 5 HA PRO 5 57.644 -4.514 -12.894 33 HB2 PRO 5 HB2 PRO 5 56.820 -6.977 -14.400 34 HB3 PRO 5 HB1 PRO 5 56.128 -6.279 -12.922 35 HG2 PRO 5 HG2 PRO 5 55.008 -5.943 -15.344 36 HG3 PRO 5 HG1 PRO 5 54.911 -4.723 -14.065 37 HD2 PRO 5 HD2 PRO 5 56.390 -4.616 -16.603 38 HD3 PRO 5 HD1 PRO 5 55.991 -3.297 -15.482 39 HA PRO 6 HA PRO 6 61.627 -6.690 -13.564 40 HB2 PRO 6 HB2 PRO 6 63.006 -5.515 -11.558 41 HB3 PRO 6 HB1 PRO 6 62.703 -4.687 -13.098 42 HG2 PRO 6 HG2 PRO 6 61.394 -4.311 -10.466 43 HG3 PRO 6 HG1 PRO 6 61.752 -3.127 -11.732 44 HD2 PRO 6 HD2 PRO 6 59.252 -4.337 -11.275 45 HD3 PRO 6 HD1 PRO 6 59.725 -3.448 -12.739 46 H LYS 7 HN LYS 7 62.026 -8.691 -12.703 47 HA LYS 7 HA LYS 7 60.616 -9.566 -10.311 48 HB2 LYS 7 HB2 LYS 7 62.198 -11.644 -10.758 49 HB3 LYS 7 HB1 LYS 7 60.846 -11.310 -11.839 50 HG2 LYS 7 HG2 LYS 7 62.246 -10.345 -13.483 51 HG3 LYS 7 HG1 LYS 7 63.582 -10.144 -12.349 52 HD2 LYS 7 HD2 LYS 7 62.560 -12.910 -12.857 53 HD3 LYS 7 HD1 LYS 7 63.568 -12.151 -14.090 54 HE2 LYS 7 HE2 LYS 7 65.298 -11.694 -12.373 55 HE3 LYS 7 HE1 LYS 7 64.299 -12.506 -11.167 56 HZ1 LYS 7 HZ1 LYS 7 65.600 -13.678 -13.553 57 HZ2 LYS 7 HZ2 LYS 7 64.349 -14.474 -12.723 58 HZ3 LYS 7 HZ3 LYS 7 65.805 -14.111 -11.926 59 H ALA 8 HN ALA 8 61.552 -8.068 -8.738 60 HA ALA 8 HA ALA 8 63.856 -9.188 -7.381 61 HB1 ALA 8 HB1 ALA 8 65.167 -8.013 -9.002 62 HB2 ALA 8 HB2 ALA 8 65.202 -7.025 -7.542 63 HB3 ALA 8 HB3 ALA 8 64.149 -6.577 -8.884 64 H GLU 9 HN GLU 9 61.018 -7.541 -7.416 65 HA GLU 9 HA GLU 9 61.487 -5.705 -5.193 66 HB2 GLU 9 HB2 GLU 9 59.049 -5.393 -5.236 67 HB3 GLU 9 HB1 GLU 9 59.705 -5.295 -6.871 68 HG2 GLU 9 HG2 GLU 9 59.151 -7.745 -7.146 69 HG3 GLU 9 HG1 GLU 9 58.303 -7.661 -5.601 70 H1U RCY 10 H1U RCY 10 60.306 -5.275 -5.264 71 H1S RCY 10 H1S RCY 10 58.929 -8.734 -6.976 72 HB1 RCY 10 HB1 RCY 10 58.123 -10.358 -3.559 73 HB2 RCY 10 HB2 RCY 10 59.279 -11.681 -3.659 74 HA RCY 10 HA RCY 10 59.862 -9.198 -2.668 75 HN1 RCY 10 HN1 RCY 10 60.486 -9.044 -5.581 76 H ARG 11 HN ARG 11 60.803 -10.971 -1.441 77 HA ARG 11 HA ARG 11 63.108 -12.393 -2.585 78 HE ARG 11 HE ARG 11 67.027 -11.504 1.592 79 HB2 ARG 11 HB2 ARG 11 64.085 -10.211 -1.975 80 HB3 ARG 11 HB1 ARG 11 63.443 -10.374 -0.341 81 HG2 ARG 11 HG2 ARG 11 64.782 -12.444 -0.039 82 HG3 ARG 11 HG1 ARG 11 65.460 -12.222 -1.652 83 HD2 ARG 11 HD2 ARG 11 66.644 -10.289 -1.026 84 HD3 ARG 11 HD1 ARG 11 65.635 -10.020 0.395 85 HH11 ARG 11 HH21 ARG 11 67.415 -11.814 -1.820 86 HH12 ARG 11 HH22 ARG 11 68.761 -12.897 -1.702 87 HH21 ARG 11 HH11 ARG 11 68.783 -12.917 1.765 88 HH22 ARG 11 HH12 ARG 11 69.536 -13.521 0.327 89 H SER 12 HN SER 12 61.212 -11.540 0.297 90 HA SER 12 HA SER 12 61.038 -14.384 1.013 91 HG SER 12 HG SER 12 61.918 -11.883 3.703 92 HB2 SER 12 HB2 SER 12 61.876 -13.965 3.341 93 HB3 SER 12 HB1 SER 12 63.128 -13.816 2.112 94 H ALA 13 HN ALA 13 60.526 -11.107 2.380 95 HA ALA 13 HA ALA 13 58.629 -10.184 3.408 96 HB1 ALA 13 HB1 ALA 13 57.764 -10.589 1.078 97 HB2 ALA 13 HB2 ALA 13 56.513 -10.638 2.320 98 HB3 ALA 13 HB3 ALA 13 57.137 -12.140 1.636 99 H THR 14 HN THR 14 59.880 -12.510 4.684 100 HA THR 14 HA THR 14 57.691 -13.167 6.509 101 HB THR 14 HB THR 14 57.396 -14.847 4.686 102 HG1 THR 14 HG1 THR 14 56.770 -15.928 6.358 103 HG21 THR 14 HG21 THR 14 59.867 -14.876 4.110 104 HG22 THR 14 HG22 THR 14 59.106 -16.464 4.215 105 HG23 THR 14 HG23 THR 14 60.110 -15.878 5.542 106 H ARG 15 HN ARG 15 60.915 -12.653 5.810 107 HA ARG 15 HA ARG 15 61.677 -13.177 8.586 108 HE ARG 15 HE ARG 15 65.711 -15.552 9.917 109 HB2 ARG 15 HB2 ARG 15 61.956 -15.399 7.370 110 HB3 ARG 15 HB1 ARG 15 63.215 -14.618 6.413 111 HG2 ARG 15 HG2 ARG 15 64.304 -13.961 8.626 112 HG3 ARG 15 HG1 ARG 15 63.176 -15.072 9.403 113 HD2 ARG 15 HD2 ARG 15 64.031 -16.938 8.117 114 HD3 ARG 15 HD1 ARG 15 65.042 -15.864 7.150 115 HH11 ARG 15 HH21 ARG 15 65.898 -17.744 7.263 116 HH12 ARG 15 HH22 ARG 15 67.351 -18.504 7.821 117 HH21 ARG 15 HH11 ARG 15 67.607 -16.532 10.661 118 HH22 ARG 15 HH12 ARG 15 68.318 -17.818 9.745 119 H VAL 16 HN VAL 16 62.532 -11.175 8.930 120 HA VAL 16 HA VAL 16 64.895 -10.390 7.346 121 HB VAL 16 HB VAL 16 63.983 -8.092 6.976 122 HG11 VAL 16 HG11 VAL 16 63.846 -10.001 5.278 123 HG12 VAL 16 HG12 VAL 16 62.716 -8.669 5.035 124 HG13 VAL 16 HG13 VAL 16 62.159 -10.177 5.761 125 HG21 VAL 16 HG21 VAL 16 61.405 -9.391 7.916 126 HG22 VAL 16 HG22 VAL 16 61.527 -7.785 7.196 127 HG23 VAL 16 HG23 VAL 16 62.284 -8.113 8.755 128 H MET 17 HN MET 17 64.426 -7.595 8.558 129 HA MET 17 HA MET 17 64.494 -8.009 11.434 130 HB2 MET 17 HB2 MET 17 66.855 -8.641 10.232 131 HB3 MET 17 HB1 MET 17 67.096 -6.915 10.497 132 HG2 MET 17 HG2 MET 17 66.463 -9.031 12.568 133 HG3 MET 17 HG1 MET 17 67.900 -8.013 12.470 134 HE1 MET 17 HE1 MET 17 68.087 -6.364 14.425 135 HE2 MET 17 HE2 MET 17 67.354 -7.866 14.981 136 HE3 MET 17 HE3 MET 17 66.721 -6.322 15.547 137 H GLY 18 HN GLY 18 63.178 -6.308 9.404 138 HA2 GLY 18 HA2 GLY 18 64.160 -3.620 10.278 139 HA3 GLY 18 HA1 GLY 18 63.282 -3.907 8.774 140 H GLY 19 HN GLY 19 62.961 -3.701 12.277 141 HA2 GLY 19 HA2 GLY 19 60.199 -4.326 12.504 142 HA3 GLY 19 HA1 GLY 19 61.075 -3.263 13.606 143 HA PRO 20 HA PRO 20 57.879 -0.667 11.460 144 HB2 PRO 20 HB2 PRO 20 58.051 0.802 14.033 145 HB3 PRO 20 HB1 PRO 20 56.624 0.174 13.187 146 HG2 PRO 20 HG2 PRO 20 57.568 -0.948 15.426 147 HG3 PRO 20 HG1 PRO 20 56.809 -1.898 14.138 148 HD2 PRO 20 HD2 PRO 20 59.718 -1.623 14.812 149 HD3 PRO 20 HD1 PRO 20 58.826 -3.044 14.219 150 H1U RCY 21 H1U RCY 21 62.318 1.311 3.841 151 H1S RCY 21 H1S RCY 21 63.493 1.316 8.006 152 HB1 RCY 21 HB1 RCY 21 63.212 0.646 11.248 153 HB2 RCY 21 HB2 RCY 21 63.334 1.790 9.911 154 HA RCY 21 HA RCY 21 61.489 2.297 11.575 155 HN1 RCY 21 HN1 RCY 21 60.591 -0.394 10.809 156 H THR 22 HN THR 22 61.919 3.956 9.904 157 HA THR 22 HA THR 22 59.816 3.906 7.780 158 HB THR 22 HB THR 22 59.489 6.141 8.155 159 HG1 THR 22 HG1 THR 22 62.209 6.443 8.874 160 HG21 THR 22 HG21 THR 22 59.780 6.753 10.460 161 HG22 THR 22 HG22 THR 22 61.131 5.635 10.647 162 HG23 THR 22 HG23 THR 22 59.496 5.013 10.425 163 HA PRO 23 HA PRO 23 62.909 3.733 4.628 164 HB2 PRO 23 HB2 PRO 23 61.805 5.398 2.714 165 HB3 PRO 23 HB1 PRO 23 61.276 3.731 3.009 166 HG2 PRO 23 HG2 PRO 23 60.064 6.284 3.933 167 HG3 PRO 23 HG1 PRO 23 59.281 4.798 3.371 168 HD2 PRO 23 HD2 PRO 23 59.453 5.431 6.012 169 HD3 PRO 23 HD1 PRO 23 59.478 3.748 5.437 170 H ARG 24 HN ARG 24 64.594 5.001 3.582 171 HA ARG 24 HA ARG 24 65.159 7.521 5.033 172 HE ARG 24 HE ARG 24 68.921 3.045 4.076 173 HB2 ARG 24 HB2 ARG 24 66.998 6.255 3.014 174 HB3 ARG 24 HB1 ARG 24 67.406 7.204 4.444 175 HG2 ARG 24 HG2 ARG 24 66.375 5.301 5.815 176 HG3 ARG 24 HG1 ARG 24 66.407 4.354 4.327 177 HD2 ARG 24 HD2 ARG 24 68.946 5.398 4.374 178 HD3 ARG 24 HD1 ARG 24 68.628 5.153 6.091 179 HH11 ARG 24 HH21 ARG 24 67.706 4.022 7.151 180 HH12 ARG 24 HH22 ARG 24 67.662 2.415 7.793 181 HH21 ARG 24 HH11 ARG 24 68.870 0.940 4.897 182 HH22 ARG 24 HH12 ARG 24 68.321 0.669 6.517 183 H LYS 25 HN LYS 25 63.480 8.737 3.841 184 HA LYS 25 HA LYS 25 62.746 10.115 2.083 185 HB2 LYS 25 HB2 LYS 25 65.615 10.284 1.189 186 HB3 LYS 25 HB1 LYS 25 64.396 11.557 1.259 187 HG2 LYS 25 HG2 LYS 25 65.763 10.240 3.623 188 HG3 LYS 25 HG1 LYS 25 65.993 11.898 3.067 189 HD2 LYS 25 HD2 LYS 25 63.538 12.294 3.471 190 HD3 LYS 25 HD1 LYS 25 63.458 10.695 4.212 191 HE2 LYS 25 HE2 LYS 25 63.779 12.540 5.879 192 HE3 LYS 25 HE1 LYS 25 65.074 11.342 5.908 193 HZ1 LYS 25 HZ1 LYS 25 65.818 13.711 5.919 194 HZ2 LYS 25 HZ2 LYS 25 65.214 13.853 4.338 195 HZ3 LYS 25 HZ3 LYS 25 66.477 12.768 4.673 196 H GLY 26 HN GLY 26 64.308 10.337 -0.482 197 HA2 GLY 26 HA2 GLY 26 64.473 7.765 -1.731 198 HA3 GLY 26 HA1 GLY 26 62.882 8.460 -2.042 199 HA PRO 27 HA PRO 27 64.153 11.134 -5.285 200 HB2 PRO 27 HB2 PRO 27 63.893 13.534 -3.515 201 HB3 PRO 27 HB1 PRO 27 63.173 13.226 -5.107 202 HG2 PRO 27 HG2 PRO 27 61.745 13.058 -2.858 203 HG3 PRO 27 HG1 PRO 27 61.450 11.992 -4.241 204 HD2 PRO 27 HD2 PRO 27 62.711 11.360 -1.621 205 HD3 PRO 27 HD1 PRO 27 61.828 10.295 -2.736 206 HA PRO 28 HA PRO 28 68.427 12.254 -4.984 207 HB2 PRO 28 HB2 PRO 28 67.978 14.997 -6.026 208 HB3 PRO 28 HB1 PRO 28 68.940 13.675 -6.712 209 HG2 PRO 28 HG2 PRO 28 66.601 14.441 -7.769 210 HG3 PRO 28 HG1 PRO 28 67.149 12.757 -7.799 211 HD2 PRO 28 HD2 PRO 28 65.070 14.031 -6.057 212 HD3 PRO 28 HD1 PRO 28 65.122 12.388 -6.736 213 H LYS 29 HN LYS 29 69.745 13.010 -3.340 214 HA LYS 29 HA LYS 29 69.395 15.580 -2.086 215 HB2 LYS 29 HB2 LYS 29 67.460 14.056 -1.184 216 HB3 LYS 29 HB1 LYS 29 68.733 13.312 -0.218 217 HG2 LYS 29 HG2 LYS 29 69.368 15.691 0.501 218 HG3 LYS 29 HG1 LYS 29 67.829 16.197 -0.197 219 HD2 LYS 29 HD2 LYS 29 67.143 15.772 1.969 220 HD3 LYS 29 HD1 LYS 29 66.910 14.170 1.270 221 HE2 LYS 29 HE2 LYS 29 69.348 13.707 1.980 222 HE3 LYS 29 HE1 LYS 29 69.192 15.147 2.987 223 HZ1 LYS 29 HZ1 LYS 29 68.334 13.749 4.479 224 HZ2 LYS 29 HZ2 LYS 29 68.045 12.530 3.332 225 HZ3 LYS 29 HZ3 LYS 29 66.926 13.792 3.534 226 H1U RCY 30 H1U RCY 30 78.685 12.308 -7.974 227 H1S RCY 30 H1S RCY 30 75.652 13.774 -4.701 228 HB1 RCY 30 HB1 RCY 30 73.882 13.977 -3.778 229 HB2 RCY 30 HB2 RCY 30 73.626 12.254 -3.502 230 HA RCY 30 HA RCY 30 73.117 12.642 -1.165 231 HN1 RCY 30 HN1 RCY 30 71.489 13.776 -3.187 232 H LYS 31 HN LYS 31 73.149 14.013 0.679 233 HA LYS 31 HA LYS 31 74.445 16.679 0.312 234 HB2 LYS 31 HB2 LYS 31 73.434 17.369 2.338 235 HB3 LYS 31 HB1 LYS 31 72.184 16.435 1.521 236 HG2 LYS 31 HG2 LYS 31 74.022 15.446 3.725 237 HG3 LYS 31 HG1 LYS 31 72.287 15.737 3.857 238 HD2 LYS 31 HD2 LYS 31 72.014 14.034 1.958 239 HD3 LYS 31 HD1 LYS 31 73.698 13.599 2.253 240 HE2 LYS 31 HE2 LYS 31 71.313 13.252 4.045 241 HE3 LYS 31 HE1 LYS 31 72.583 12.095 3.645 242 HZ1 LYS 31 HZ1 LYS 31 73.018 14.556 5.246 243 HZ2 LYS 31 HZ2 LYS 31 74.131 13.302 4.973 244 HZ3 LYS 31 HZ3 LYS 31 72.748 13.022 5.918 245 H GLN 32 HN GLN 32 75.612 13.787 0.600 246 HA GLN 32 HA GLN 32 77.161 13.973 3.072 247 HB2 GLN 32 HB2 GLN 32 77.470 12.146 0.669 248 HB3 GLN 32 HB1 GLN 32 78.320 11.961 2.203 249 HG2 GLN 32 HG2 GLN 32 75.303 11.948 1.894 250 HG3 GLN 32 HG1 GLN 32 76.301 10.502 2.052 251 HE21 GLN 32 HE21 GLN 32 78.006 10.915 4.073 252 HE22 GLN 32 HE22 GLN 32 77.226 11.395 5.502 253 H ARG 33 HN ARG 33 79.554 14.065 3.047 254 HA ARG 33 HA ARG 33 80.691 15.485 0.679 255 HE ARG 33 HE ARG 33 78.247 16.019 3.330 256 HB2 ARG 33 HB2 ARG 33 80.823 16.354 3.578 257 HB3 ARG 33 HB1 ARG 33 81.925 16.964 2.346 258 HG2 ARG 33 HG2 ARG 33 80.372 18.435 1.642 259 HG3 ARG 33 HG1 ARG 33 79.234 17.120 1.344 260 HD2 ARG 33 HD2 ARG 33 79.706 18.446 4.032 261 HD3 ARG 33 HD1 ARG 33 78.327 18.751 2.974 262 HH11 ARG 33 HH21 ARG 33 78.485 18.767 5.397 263 HH12 ARG 33 HH22 ARG 33 77.648 18.016 6.714 264 HH21 ARG 33 HH11 ARG 33 77.153 15.021 5.038 265 HH22 ARG 33 HH12 ARG 33 76.894 15.895 6.511 266 H GLN 34 HN GLN 34 80.846 12.766 2.246 267 HA GLN 34 HA GLN 34 82.520 11.201 2.743 268 HB2 GLN 34 HB2 GLN 34 84.137 12.969 0.882 269 HB3 GLN 34 HB1 GLN 34 84.509 11.300 1.313 270 HG2 GLN 34 HG2 GLN 34 82.454 10.521 0.268 271 HG3 GLN 34 HG1 GLN 34 81.953 12.181 -0.059 272 HE21 GLN 34 HE21 GLN 34 84.134 13.395 -1.153 273 HE22 GLN 34 HE22 GLN 34 84.679 12.572 -2.534 274 H THR 35 HN THR 35 82.318 13.731 4.385 275 HA THR 35 HA THR 35 84.828 14.753 5.134 276 HB THR 35 HB THR 35 83.816 15.429 7.173 277 HG1 THR 35 HG1 THR 35 83.184 13.203 7.671 278 HG21 THR 35 HG21 THR 35 81.413 15.006 5.395 279 HG22 THR 35 HG22 THR 35 82.677 16.168 4.991 280 HG23 THR 35 HG23 THR 35 81.747 16.358 6.477 281 H ARG 36 HN ARG 36 83.185 11.821 6.332 282 HA ARG 36 HA ARG 36 85.332 11.061 8.102 283 HE ARG 36 HE ARG 36 81.431 11.273 7.097 284 HB2 ARG 36 HB2 ARG 36 84.182 8.881 8.193 285 HB3 ARG 36 HB1 ARG 36 83.029 10.205 8.361 286 HG2 ARG 36 HG2 ARG 36 83.107 9.876 5.632 287 HG3 ARG 36 HG1 ARG 36 83.298 8.218 6.202 288 HD2 ARG 36 HD2 ARG 36 80.947 8.545 6.041 289 HD3 ARG 36 HD1 ARG 36 81.314 8.693 7.760 290 HH11 ARG 36 HH21 ARG 36 79.316 8.794 5.971 291 HH12 ARG 36 HH22 ARG 36 77.999 9.874 5.660 292 HH21 ARG 36 HH11 ARG 36 79.723 12.698 6.698 293 HH22 ARG 36 HH12 ARG 36 78.229 12.085 6.072 294 H GLN 37 HN GLN 37 84.581 10.407 4.723 295 HA GLN 37 HA GLN 37 85.765 9.180 3.096 296 HB2 GLN 37 HB2 GLN 37 87.173 11.278 3.646 297 HB3 GLN 37 HB1 GLN 37 88.224 10.180 4.539 298 HG2 GLN 37 HG2 GLN 37 88.529 8.811 2.511 299 HG3 GLN 37 HG1 GLN 37 87.472 9.900 1.613 300 HE21 GLN 37 HE21 GLN 37 90.669 9.256 1.967 301 HE22 GLN 37 HE22 GLN 37 91.318 10.809 1.747 302 H1U RCY 38 H1U RCY 38 84.985 1.319 2.091 303 H1S RCY 38 H1S RCY 38 86.387 4.829 3.467 304 HB1 RCY 38 HB1 RCY 38 88.118 4.599 4.286 305 HB2 RCY 38 HB2 RCY 38 89.693 5.204 3.776 306 HA RCY 38 HA RCY 38 88.008 6.153 5.921 307 HN1 RCY 38 HN1 RCY 38 88.705 8.501 4.295 308 H LYS 39 HN LYS 39 90.347 8.249 4.390 309 HA LYS 39 HA LYS 39 92.624 8.633 4.848 310 HB2 LYS 39 HB2 LYS 39 91.020 8.831 7.231 311 HB3 LYS 39 HB1 LYS 39 92.606 8.204 7.674 312 HG2 LYS 39 HG2 LYS 39 92.836 10.572 7.752 313 HG3 LYS 39 HG1 LYS 39 93.580 10.091 6.227 314 HD2 LYS 39 HD2 LYS 39 91.272 10.505 5.167 315 HD3 LYS 39 HD1 LYS 39 90.865 11.339 6.667 316 HE2 LYS 39 HE2 LYS 39 91.678 13.057 5.255 317 HE3 LYS 39 HE1 LYS 39 93.047 12.671 6.298 318 HZ1 LYS 39 HZ1 LYS 39 93.388 10.930 4.295 319 HZ2 LYS 39 HZ2 LYS 39 94.127 12.458 4.364 320 HZ3 LYS 39 HZ3 LYS 39 92.707 12.239 3.458 321 H SER 40 HN SER 40 91.663 5.689 4.590 322 HA SER 40 HA SER 40 94.231 4.487 4.950 323 HG SER 40 HG SER 40 91.331 3.432 6.966 324 HB2 SER 40 HB2 SER 40 93.447 2.870 6.812 325 HB3 SER 40 HB1 SER 40 93.934 4.492 7.294 326 H LYS 41 HN LYS 41 94.069 3.232 3.155 327 HA LYS 41 HA LYS 41 91.616 1.542 2.832 328 HB2 LYS 41 HB2 LYS 41 91.898 3.217 1.033 329 HB3 LYS 41 HB1 LYS 41 93.504 2.574 0.694 330 HG2 LYS 41 HG2 LYS 41 91.657 0.385 0.734 331 HG3 LYS 41 HG1 LYS 41 90.999 1.645 -0.311 332 HD2 LYS 41 HD2 LYS 41 93.885 0.794 -0.521 333 HD3 LYS 41 HD1 LYS 41 92.612 -0.072 -1.382 334 HE2 LYS 41 HE2 LYS 41 92.927 2.928 -1.579 335 HE3 LYS 41 HE1 LYS 41 93.766 1.824 -2.668 336 HZ1 LYS 41 HZ1 LYS 41 91.182 0.933 -2.632 337 HZ2 LYS 41 HZ2 LYS 41 91.918 1.832 -3.871 338 HZ3 LYS 41 HZ3 LYS 41 91.027 2.622 -2.659 339 HA PRO 42 HA PRO 42 95.202 -1.290 3.480 340 HB2 PRO 42 HB2 PRO 42 93.949 -3.014 5.180 341 HB3 PRO 42 HB1 PRO 42 94.706 -1.505 5.725 342 HG2 PRO 42 HG2 PRO 42 91.840 -2.130 5.283 343 HG3 PRO 42 HG1 PRO 42 92.598 -1.098 6.505 344 HD2 PRO 42 HD2 PRO 42 91.352 -0.164 4.197 345 HD3 PRO 42 HD1 PRO 42 92.540 0.751 5.149 346 HA PRO 43 HA PRO 43 93.893 -4.355 0.561 347 HB2 PRO 43 HB2 PRO 43 95.500 -6.471 1.231 348 HB3 PRO 43 HB1 PRO 43 96.101 -5.016 0.413 349 HG2 PRO 43 HG2 PRO 43 96.262 -5.762 3.289 350 HG3 PRO 43 HG1 PRO 43 97.473 -4.988 2.253 351 HD2 PRO 43 HD2 PRO 43 95.931 -3.589 4.031 352 HD3 PRO 43 HD1 PRO 43 96.555 -2.879 2.525 353 H LYS 44 HN LYS 44 92.933 -6.583 0.393 354 HA LYS 44 HA LYS 44 91.059 -7.865 1.067 355 HB2 LYS 44 HB2 LYS 44 91.737 -9.367 3.028 356 HB3 LYS 44 HB1 LYS 44 92.793 -9.387 1.619 357 HG2 LYS 44 HG2 LYS 44 94.311 -7.787 2.705 358 HG3 LYS 44 HG1 LYS 44 93.243 -7.709 4.107 359 HD2 LYS 44 HD2 LYS 44 94.647 -9.336 4.898 360 HD3 LYS 44 HD1 LYS 44 93.591 -10.387 3.954 361 HE2 LYS 44 HE2 LYS 44 96.301 -9.291 3.194 362 HE3 LYS 44 HE1 LYS 44 95.783 -10.976 3.265 363 HZ1 LYS 44 HZ1 LYS 44 94.634 -8.983 1.393 364 HZ2 LYS 44 HZ2 LYS 44 94.391 -10.664 1.388 365 HZ3 LYS 44 HZ3 LYS 44 95.911 -10.022 0.986 366 H LYS 45 HN LYS 45 91.495 -8.188 4.346 367 HA LYS 45 HA LYS 45 89.483 -6.035 4.906 368 HB2 LYS 45 HB2 LYS 45 88.834 -7.606 6.842 369 HB3 LYS 45 HB1 LYS 45 88.364 -8.104 5.217 370 HG2 LYS 45 HG2 LYS 45 90.224 -9.628 5.063 371 HG3 LYS 45 HG1 LYS 45 90.922 -9.010 6.561 372 HD2 LYS 45 HD2 LYS 45 89.097 -9.896 7.864 373 HD3 LYS 45 HD1 LYS 45 88.196 -10.323 6.408 374 HE2 LYS 45 HE2 LYS 45 90.078 -11.871 5.782 375 HE3 LYS 45 HE1 LYS 45 90.807 -11.538 7.353 376 HZ1 LYS 45 HZ1 LYS 45 88.434 -12.178 8.190 377 HZ2 LYS 45 HZ2 LYS 45 89.579 -13.381 7.833 378 HZ3 LYS 45 HZ3 LYS 45 88.354 -13.012 6.715 379 H GLY 46 HN GLY 46 89.945 -4.644 6.568 380 HA2 GLY 46 HA2 GLY 46 92.478 -5.138 8.082 381 HA3 GLY 46 HA1 GLY 46 91.857 -3.532 7.696 382 H VAL 47 HN VAL 47 90.341 -2.604 9.062 383 HA VAL 47 HA VAL 47 90.064 -3.686 11.713 384 HB VAL 47 HB VAL 47 88.474 -1.809 12.059 385 HG11 VAL 47 HG11 VAL 47 90.064 -0.014 11.629 386 HG12 VAL 47 HG12 VAL 47 90.894 -0.996 10.422 387 HG13 VAL 47 HG13 VAL 47 90.952 -1.456 12.123 388 HG21 VAL 47 HG21 VAL 47 88.825 -1.493 9.063 389 HG22 VAL 47 HG22 VAL 47 88.110 -0.262 10.104 390 HG23 VAL 47 HG23 VAL 47 87.323 -1.830 9.923 391 H GLN 48 HN GLN 48 87.133 -2.901 11.850 392 HA GLN 48 HA GLN 48 85.834 -5.073 10.324 393 HB2 GLN 48 HB2 GLN 48 84.845 -6.046 12.391 394 HB3 GLN 48 HB1 GLN 48 86.601 -6.212 12.360 395 HG2 GLN 48 HG2 GLN 48 86.766 -4.122 13.735 396 HG3 GLN 48 HG1 GLN 48 85.007 -4.120 13.867 397 HE21 GLN 48 HE21 GLN 48 87.909 -5.447 15.198 398 HE22 GLN 48 HE22 GLN 48 87.176 -6.562 16.247 399 H GLY 49 HN GLY 49 85.618 -2.211 10.230 400 HA2 GLY 49 HA2 GLY 49 82.764 -1.919 10.364 401 HA3 GLY 49 HA1 GLY 49 83.517 -1.080 11.721 402 H1U RCY 50 H1U RCY 50 79.091 0.672 6.967 403 H1S RCY 50 H1S RCY 50 83.140 -1.833 6.126 404 HB1 RCY 50 HB1 RCY 50 85.656 1.417 6.540 405 HB2 RCY 50 HB2 RCY 50 84.057 1.263 7.267 406 HA RCY 50 HA RCY 50 86.758 1.107 8.580 407 HN1 RCY 50 HN1 RCY 50 85.962 -0.630 9.940 408 H GLY 51 HN GLY 51 84.643 1.528 10.953 409 HA2 GLY 51 HA2 GLY 51 83.527 4.137 10.396 410 HA3 GLY 51 HA1 GLY 51 83.633 3.384 11.987 411 H ASP 52 HN ASP 52 85.534 5.183 9.575 412 HA ASP 52 HA ASP 52 87.888 5.576 11.073 413 HB2 ASP 52 HB2 ASP 52 87.603 6.331 8.724 414 HB3 ASP 52 HB1 ASP 52 86.509 7.599 9.279 415 H ASP 53 HN ASP 53 84.735 6.518 11.835 416 HA ASP 53 HA ASP 53 85.668 7.982 14.189 417 HB2 ASP 53 HB2 ASP 53 84.130 9.378 11.982 418 HB3 ASP 53 HB1 ASP 53 84.221 9.995 13.632 419 H ILE 54 HN ILE 54 82.546 8.557 12.695 420 HA ILE 54 HA ILE 54 81.293 6.551 14.522 421 HB ILE 54 HB ILE 54 80.460 9.444 14.166 422 HG12 ILE 54 HG12 ILE 54 81.263 7.953 16.678 423 HG13 ILE 54 HG11 ILE 54 82.399 8.906 15.722 424 HG21 ILE 54 HG21 ILE 54 79.143 7.094 15.543 425 HG22 ILE 54 HG22 ILE 54 78.456 8.150 14.308 426 HG23 ILE 54 HG23 ILE 54 78.744 8.767 15.935 427 HD11 ILE 54 HD11 ILE 54 79.830 9.972 16.932 428 HD12 ILE 54 HD12 ILE 54 81.027 10.910 16.039 429 HD13 ILE 54 HD13 ILE 54 81.441 10.216 17.606 430 HA PRO 55 HA PRO 55 79.408 6.161 10.373 431 HB2 PRO 55 HB2 PRO 55 79.174 3.470 10.349 432 HB3 PRO 55 HB1 PRO 55 80.729 4.276 10.063 433 HG2 PRO 55 HG2 PRO 55 79.735 2.911 12.504 434 HG3 PRO 55 HG1 PRO 55 81.369 2.971 11.827 435 HD2 PRO 55 HD2 PRO 55 80.441 4.545 13.953 436 HD3 PRO 55 HD1 PRO 55 81.894 4.875 12.985 437 H GLY 56 HN GLY 56 77.293 5.076 9.672 438 HA2 GLY 56 HA2 GLY 56 75.005 4.675 9.999 439 HA3 GLY 56 HA1 GLY 56 75.419 4.099 11.613 440 H MET 57 HN MET 57 76.354 7.315 10.643 441 HA MET 57 HA MET 57 74.645 8.421 12.773 442 HB2 MET 57 HB2 MET 57 75.835 10.541 12.282 443 HB3 MET 57 HB1 MET 57 76.959 9.217 12.583 444 HG2 MET 57 HG2 MET 57 76.065 9.853 9.776 445 HG3 MET 57 HG1 MET 57 77.389 10.750 10.521 446 HE1 MET 57 HE1 MET 57 79.556 9.743 8.900 447 HE2 MET 57 HE2 MET 57 77.958 9.780 8.159 448 HE3 MET 57 HE3 MET 57 78.972 8.350 7.981 449 H GLU 58 HN GLU 58 73.572 7.374 10.126 450 HA GLU 58 HA GLU 58 71.651 7.949 8.894 451 HB2 GLU 58 HB2 GLU 58 70.346 9.678 9.605 452 HB3 GLU 58 HB1 GLU 58 71.493 9.767 10.933 453 HG2 GLU 58 HG2 GLU 58 71.619 11.962 10.217 454 HG3 GLU 58 HG1 GLU 58 72.846 11.261 9.160 455 H GLY 59 HN GLY 59 74.733 8.919 8.547 456 HA2 GLY 59 HA2 GLY 59 74.899 10.923 6.638 457 HA3 GLY 59 HA1 GLY 59 75.933 9.495 6.604 458 H1U RCY 60 H1U RCY 60 76.488 2.330 6.901 459 H1S RCY 60 H1S RCY 60 73.161 4.950 7.171 460 HB1 RCY 60 HB1 RCY 60 73.746 5.798 4.421 461 HB2 RCY 60 HB2 RCY 60 72.355 5.818 3.338 462 HA RCY 60 HA RCY 60 73.374 8.019 3.313 463 HN1 RCY 60 HN1 RCY 60 73.489 7.744 6.250 464 H GLY 61 HN GLY 61 71.853 9.416 2.554 465 HA2 GLY 61 HA2 GLY 61 69.311 9.742 4.052 466 HA3 GLY 61 HA1 GLY 61 69.883 10.797 2.759 467 H THR 62 HN THR 62 69.821 9.907 0.536 468 HA THR 62 HA THR 62 67.322 8.533 0.035 469 HB THR 62 HB THR 62 67.789 8.866 -2.269 470 HG1 THR 62 HG1 THR 62 70.374 9.640 -2.131 471 HG21 THR 62 HG21 THR 62 68.582 11.188 -2.381 472 HG22 THR 62 HG22 THR 62 69.260 11.045 -0.759 473 HG23 THR 62 HG23 THR 62 67.513 10.970 -0.995 474 H ASP 63 HN ASP 63 67.462 6.444 0.971 475 HA ASP 63 HA ASP 63 69.680 4.660 0.529 476 HB2 ASP 63 HB2 ASP 63 68.126 2.895 1.325 477 HB3 ASP 63 HB1 ASP 63 68.097 4.308 2.379 478 H ILE 64 HN ILE 64 67.675 5.956 -1.680 479 HA ILE 64 HA ILE 64 67.796 3.533 -3.438 480 HB ILE 64 HB ILE 64 65.619 5.609 -3.127 481 HG12 ILE 64 HG12 ILE 64 65.394 2.611 -3.433 482 HG13 ILE 64 HG11 ILE 64 65.694 3.359 -1.864 483 HG21 ILE 64 HG21 ILE 64 65.826 5.613 -5.462 484 HG22 ILE 64 HG22 ILE 64 64.655 4.322 -5.193 485 HG23 ILE 64 HG23 ILE 64 66.343 3.928 -5.515 486 HD11 ILE 64 HD11 ILE 64 63.395 4.178 -3.652 487 HD12 ILE 64 HD12 ILE 64 63.638 4.585 -1.954 488 HD13 ILE 64 HD13 ILE 64 63.245 2.929 -2.416 489 H THR 65 HN THR 65 68.271 6.977 -3.057 490 HA THR 65 HA THR 65 69.245 8.570 -4.483 491 HB THR 65 HB THR 65 70.714 6.052 -5.319 492 HG1 THR 65 HG1 THR 65 70.747 7.604 -3.143 493 HG21 THR 65 HG21 THR 65 71.392 7.413 -7.025 494 HG22 THR 65 HG22 THR 65 72.450 8.077 -5.780 495 HG23 THR 65 HG23 THR 65 70.932 8.885 -6.169 496 H VAL 66 HN VAL 66 66.842 7.051 -5.436 497 HA VAL 66 HA VAL 66 65.515 7.040 -7.364 498 HB VAL 66 HB VAL 66 67.693 8.597 -8.761 499 HG11 VAL 66 HG11 VAL 66 64.663 8.559 -8.918 500 HG12 VAL 66 HG12 VAL 66 65.781 7.911 -10.119 501 HG13 VAL 66 HG13 VAL 66 65.701 9.650 -9.837 502 HG21 VAL 66 HG21 VAL 66 66.269 10.597 -7.816 503 HG22 VAL 66 HG22 VAL 66 67.522 9.874 -6.808 504 HG23 VAL 66 HG23 VAL 66 65.831 9.443 -6.556 505 H ILE 67 HN ILE 67 68.956 6.321 -7.766 506 HA ILE 67 HA ILE 67 68.162 4.101 -9.597 507 HB ILE 67 HB ILE 67 70.528 5.962 -9.957 508 HG12 ILE 67 HG12 ILE 67 68.181 5.426 -11.799 509 HG13 ILE 67 HG11 ILE 67 68.234 6.782 -10.672 510 HG21 ILE 67 HG21 ILE 67 71.233 3.761 -10.581 511 HG22 ILE 67 HG22 ILE 67 70.798 4.575 -12.084 512 HG23 ILE 67 HG23 ILE 67 69.688 3.414 -11.357 513 HD11 ILE 67 HD11 ILE 67 69.013 7.570 -12.826 514 HD12 ILE 67 HD12 ILE 67 70.157 6.234 -12.949 515 HD13 ILE 67 HD13 ILE 67 70.399 7.493 -11.738 516 H1U RCY 68 H1U RCY 68 73.999 -3.862 -5.570 517 H1S RCY 68 H1S RCY 68 70.580 -1.102 -4.948 518 HB1 RCY 68 HB1 RCY 68 68.654 0.902 -5.740 519 HB2 RCY 68 HB2 RCY 68 68.955 2.569 -5.255 520 HA RCY 68 HA RCY 68 71.111 2.360 -6.711 521 HN1 RCY 68 HN1 RCY 68 68.380 2.628 -7.886 522 HA PRO 69 HA PRO 69 72.350 -1.033 -9.262 523 HB2 PRO 69 HB2 PRO 69 72.348 -2.462 -6.615 524 HB3 PRO 69 HB1 PRO 69 73.536 -2.547 -7.933 525 HG2 PRO 69 HG2 PRO 69 73.849 -0.971 -5.748 526 HG3 PRO 69 HG1 PRO 69 74.530 -0.583 -7.334 527 HD2 PRO 69 HD2 PRO 69 72.439 0.827 -5.886 528 HD3 PRO 69 HD1 PRO 69 73.214 1.277 -7.422 529 H TRP 70 HN TRP 70 69.928 -1.885 -6.729 530 HA TRP 70 HA TRP 70 68.950 -4.150 -8.218 531 HD1 TRP 70 HD1 TRP 70 70.483 -3.345 -5.388 532 HE1 TRP 70 HE1 TRP 70 70.755 -1.611 -3.501 533 HE3 TRP 70 HE3 TRP 70 65.742 -1.456 -5.238 534 HZ2 TRP 70 HZ2 TRP 70 69.168 0.326 -2.109 535 HZ3 TRP 70 HZ3 TRP 70 65.150 0.327 -3.628 536 HH2 TRP 70 HH2 TRP 70 66.852 1.221 -2.064 537 HB2 TRP 70 HB2 TRP 70 66.808 -3.208 -6.625 538 HB3 TRP 70 HB1 TRP 70 67.933 -4.503 -6.236 539 H GLU 71 HN GLU 71 69.154 -1.545 -9.708 540 HA GLU 71 HA GLU 71 66.435 -1.673 -10.893 541 HB2 GLU 71 HB2 GLU 71 67.805 0.885 -10.008 542 HB3 GLU 71 HB1 GLU 71 66.368 0.825 -11.029 543 HG2 GLU 71 HG2 GLU 71 65.191 -0.448 -9.231 544 HG3 GLU 71 HG1 GLU 71 66.610 -0.246 -8.203 545 H ALA 72 HN ALA 72 69.317 0.412 -11.315 546 HA ALA 72 HA ALA 72 69.183 0.075 -14.207 547 HB1 ALA 72 HB1 ALA 72 71.125 1.454 -12.349 548 HB2 ALA 72 HB2 ALA 72 69.969 2.191 -13.458 549 HB3 ALA 72 HB3 ALA 72 71.394 1.368 -14.090 550 H1U RCY 73 H1U RCY 73 76.959 -0.351 -6.859 551 H1S RCY 73 H1S RCY 73 76.684 0.247 -11.327 552 HB1 RCY 73 HB1 RCY 73 74.937 -2.605 -12.285 553 HB2 RCY 73 HB2 RCY 73 73.885 -1.763 -11.148 554 HA RCY 73 HA RCY 73 73.319 -2.185 -14.097 555 HN1 RCY 73 HN1 RCY 73 72.194 -0.250 -12.380 556 H ASN 74 HN ASN 74 72.041 -2.826 -10.802 557 HA ASN 74 HA ASN 74 71.248 -4.836 -9.879 558 HB2 ASN 74 HB2 ASN 74 69.388 -5.726 -10.991 559 HB3 ASN 74 HB1 ASN 74 69.479 -4.098 -11.660 560 HD21 ASN 74 HD21 ASN 74 69.653 -3.942 -13.917 561 HD22 ASN 74 HD22 ASN 74 70.022 -5.241 -14.945 562 H HIS 75 HN HIS 75 73.827 -4.826 -11.615 563 HA HIS 75 HA HIS 75 73.907 -7.718 -12.329 564 HD1 HIS 75 HD1 HIS 75 77.721 -5.269 -14.212 565 HD2 HIS 75 HD2 HIS 75 75.604 -4.669 -10.668 566 HE1 HIS 75 HE1 HIS 75 78.994 -3.510 -12.908 567 HE2 HIS 75 HE2 HIS 75 77.716 -3.136 -10.748 568 HB2 HIS 75 HB2 HIS 75 75.926 -7.209 -13.535 569 HB3 HIS 75 HB1 HIS 75 74.764 -5.941 -13.927 570 H1U RCY 76 H1U RCY 76 76.705 -4.915 -0.405 571 H1S RCY 76 H1S RCY 76 76.343 -4.349 -5.007 572 HB1 RCY 76 HB1 RCY 76 74.415 -6.147 -6.997 573 HB2 RCY 76 HB2 RCY 76 75.636 -5.180 -7.823 574 HA RCY 76 HA RCY 76 76.669 -7.344 -8.629 575 HN1 RCY 76 HN1 RCY 76 73.968 -6.499 -9.534 576 H GLU 77 HN GLU 77 76.704 -9.558 -8.457 577 HA GLU 77 HA GLU 77 74.549 -11.284 -7.987 578 HB2 GLU 77 HB2 GLU 77 76.928 -11.946 -8.577 579 HB3 GLU 77 HB1 GLU 77 77.330 -11.732 -6.872 580 HG2 GLU 77 HG2 GLU 77 75.700 -13.419 -6.227 581 HG3 GLU 77 HG1 GLU 77 75.148 -13.571 -7.895 582 H LEU 78 HN LEU 78 73.371 -11.842 -6.201 583 HA LEU 78 HA LEU 78 73.298 -10.201 -3.909 584 HG LEU 78 HG LEU 78 71.298 -10.633 -5.248 585 HB2 LEU 78 HB2 LEU 78 72.287 -12.975 -4.496 586 HB3 LEU 78 HB1 LEU 78 72.100 -12.289 -2.883 587 HD11 LEU 78 HD11 LEU 78 70.194 -12.723 -5.742 588 HD12 LEU 78 HD12 LEU 78 68.993 -11.645 -5.033 589 HD13 LEU 78 HD13 LEU 78 69.714 -12.925 -4.058 590 HD21 LEU 78 HD21 LEU 78 71.336 -9.839 -2.825 591 HD22 LEU 78 HD22 LEU 78 70.024 -10.977 -2.522 592 HD23 LEU 78 HD23 LEU 78 69.793 -9.648 -3.658 593 H HIS 79 HN HIS 79 73.344 -11.984 -1.709 594 HA HIS 79 HA HIS 79 74.795 -13.139 -0.248 595 HD1 HIS 79 HD1 HIS 79 76.555 -13.592 1.036 596 HD2 HIS 79 HD2 HIS 79 77.228 -16.375 -1.998 597 HE1 HIS 79 HE1 HIS 79 77.371 -15.705 2.170 598 HE2 HIS 79 HE2 HIS 79 77.784 -17.407 0.334 599 HB2 HIS 79 HB2 HIS 79 75.797 -13.971 -2.613 600 HB3 HIS 79 HB1 HIS 79 77.142 -12.957 -2.091 601 H GLU 80 HN GLU 80 74.889 -11.416 1.190 602 HA GLU 80 HA GLU 80 76.354 -8.991 0.706 603 HB2 GLU 80 HB2 GLU 80 75.339 -10.297 3.242 604 HB3 GLU 80 HB1 GLU 80 76.143 -8.726 3.229 605 HG2 GLU 80 HG2 GLU 80 74.450 -7.808 1.752 606 HG3 GLU 80 HG1 GLU 80 73.694 -9.392 1.572 607 H LEU 81 HN LEU 81 77.207 -12.057 2.275 608 HA LEU 81 HA LEU 81 79.684 -11.232 3.404 609 HG LEU 81 HG LEU 81 78.523 -14.464 4.704 610 HB2 LEU 81 HB2 LEU 81 78.912 -13.940 2.268 611 HB3 LEU 81 HB1 LEU 81 80.312 -13.639 3.290 612 HD11 LEU 81 HD11 LEU 81 79.953 -12.340 5.321 613 HD12 LEU 81 HD12 LEU 81 78.598 -12.809 6.347 614 HD13 LEU 81 HD13 LEU 81 78.409 -11.501 5.180 615 HD21 LEU 81 HD21 LEU 81 76.784 -13.537 2.932 616 HD22 LEU 81 HD22 LEU 81 76.774 -12.132 3.997 617 HD23 LEU 81 HD23 LEU 81 76.321 -13.717 4.624 618 H ALA 82 HN ALA 82 78.807 -11.011 0.256 619 HA ALA 82 HA ALA 82 81.119 -12.037 -1.110 620 HB1 ALA 82 HB1 ALA 82 79.245 -11.603 -2.478 621 HB2 ALA 82 HB2 ALA 82 80.357 -10.295 -2.875 622 HB3 ALA 82 HB3 ALA 82 79.002 -9.999 -1.789 623 H GLN 83 HN GLN 83 82.479 -11.000 0.849 624 HA GLN 83 HA GLN 83 83.067 -8.286 1.033 625 HB2 GLN 83 HB2 GLN 83 84.274 -10.681 1.898 626 HB3 GLN 83 HB1 GLN 83 85.539 -9.836 1.009 627 HG2 GLN 83 HG2 GLN 83 83.876 -8.689 3.272 628 HG3 GLN 83 HG1 GLN 83 85.578 -9.144 3.359 629 HE21 GLN 83 HE21 GLN 83 86.340 -8.105 0.740 630 HE22 GLN 83 HE22 GLN 83 86.261 -6.411 0.829 631 H TYR 84 HN TYR 84 83.729 -10.463 -1.601 632 HA TYR 84 HA TYR 84 84.694 -8.187 -3.213 633 HD1 TYR 84 HD1 TYR 84 86.801 -7.011 -3.457 634 HD2 TYR 84 HD2 TYR 84 87.398 -10.170 -0.608 635 HE1 TYR 84 HE1 TYR 84 88.052 -5.451 -1.989 636 HE2 TYR 84 HE2 TYR 84 88.648 -8.610 0.859 637 HH TYR 84 HH TYR 84 90.057 -6.292 0.298 638 HB2 TYR 84 HB2 TYR 84 86.359 -10.649 -2.645 639 HB3 TYR 84 HB1 TYR 84 86.658 -9.589 -4.024 640 H GLY 85 HN GLY 85 82.326 -10.041 -3.198 641 HA2 GLY 85 HA2 GLY 85 82.416 -12.060 -5.131 642 HA3 GLY 85 HA1 GLY 85 81.017 -11.004 -4.913 643 H ILE 86 HN ILE 86 82.096 -8.556 -5.649 644 HA ILE 86 HA ILE 86 83.113 -8.968 -8.422 645 HB ILE 86 HB ILE 86 80.840 -7.089 -7.707 646 HG12 ILE 86 HG12 ILE 86 79.725 -8.881 -9.381 647 HG13 ILE 86 HG11 ILE 86 80.907 -9.932 -8.600 648 HG21 ILE 86 HG21 ILE 86 82.269 -6.410 -9.621 649 HG22 ILE 86 HG22 ILE 86 80.643 -6.850 -10.143 650 HG23 ILE 86 HG23 ILE 86 81.979 -7.978 -10.376 651 HD11 ILE 86 HD11 ILE 86 79.154 -10.148 -7.107 652 HD12 ILE 86 HD12 ILE 86 78.551 -8.520 -7.418 653 HD13 ILE 86 HD13 ILE 86 79.973 -8.754 -6.402 654 H1U RCY 87 H1U RCY 87 80.453 -3.979 -2.181 655 H1S RCY 87 H1S RCY 87 83.686 -3.094 -4.880 656 HB1 RCY 87 HB1 RCY 87 81.983 -3.594 -7.292 657 HB2 RCY 87 HB2 RCY 87 82.993 -3.349 -8.716 658 HA RCY 87 HA RCY 87 84.709 -4.747 -7.869 659 HN1 RCY 87 HN1 RCY 87 82.058 -5.828 -7.849 Start of MODEL 43 1 HA MET 1 HA MET 1 68.038 -12.086 -16.388 2 HB2 MET 1 HB2 MET 1 70.597 -11.717 -16.387 3 HB3 MET 1 HB1 MET 1 70.230 -10.079 -16.932 4 HG2 MET 1 HG2 MET 1 70.352 -9.943 -14.554 5 HG3 MET 1 HG1 MET 1 68.630 -9.931 -14.938 6 HE1 MET 1 HE1 MET 1 67.047 -11.340 -13.456 7 HE2 MET 1 HE2 MET 1 68.216 -10.356 -12.578 8 HE3 MET 1 HE3 MET 1 67.857 -11.991 -12.025 9 H ASN 2 HN ASN 2 68.207 -10.424 -19.379 10 HA ASN 2 HA ASN 2 66.980 -8.615 -20.233 11 HB2 ASN 2 HB2 ASN 2 65.154 -8.969 -17.851 12 HB3 ASN 2 HB1 ASN 2 64.739 -8.406 -19.470 13 HD21 ASN 2 HD21 ASN 2 64.621 -11.126 -17.487 14 HD22 ASN 2 HD22 ASN 2 64.494 -12.318 -18.689 15 H LEU 3 HN LEU 3 65.894 -6.408 -19.354 16 HA LEU 3 HA LEU 3 68.017 -4.968 -18.064 17 HG LEU 3 HG LEU 3 66.193 -2.823 -20.369 18 HB2 LEU 3 HB2 LEU 3 65.155 -4.297 -18.754 19 HB3 LEU 3 HB1 LEU 3 66.167 -3.157 -17.869 20 HD11 LEU 3 HD11 LEU 3 68.400 -2.153 -20.320 21 HD12 LEU 3 HD12 LEU 3 68.954 -3.668 -19.607 22 HD13 LEU 3 HD13 LEU 3 68.166 -2.455 -18.598 23 HD21 LEU 3 HD21 LEU 3 67.225 -4.433 -21.788 24 HD22 LEU 3 HD22 LEU 3 66.125 -5.364 -20.772 25 HD23 LEU 3 HD23 LEU 3 67.853 -5.350 -20.418 26 H GLU 4 HN GLU 4 64.872 -4.364 -16.720 27 HA GLU 4 HA GLU 4 65.913 -4.670 -14.025 28 HB2 GLU 4 HB2 GLU 4 63.136 -4.100 -15.090 29 HB3 GLU 4 HB1 GLU 4 63.535 -4.130 -13.372 30 HG2 GLU 4 HG2 GLU 4 65.286 -2.391 -13.801 31 HG3 GLU 4 HG1 GLU 4 64.728 -2.297 -15.472 32 HA PRO 5 HA PRO 5 65.286 -9.110 -13.726 33 HB2 PRO 5 HB2 PRO 5 64.674 -8.319 -10.896 34 HB3 PRO 5 HB1 PRO 5 65.712 -9.627 -11.498 35 HG2 PRO 5 HG2 PRO 5 66.727 -7.330 -10.588 36 HG3 PRO 5 HG1 PRO 5 67.467 -8.213 -11.933 37 HD2 PRO 5 HD2 PRO 5 65.962 -5.657 -11.979 38 HD3 PRO 5 HD1 PRO 5 67.153 -6.285 -13.138 39 HA PRO 6 HA PRO 6 60.846 -9.430 -13.900 40 HB2 PRO 6 HB2 PRO 6 60.521 -12.111 -13.538 41 HB3 PRO 6 HB1 PRO 6 61.201 -11.423 -15.026 42 HG2 PRO 6 HG2 PRO 6 62.606 -12.672 -12.717 43 HG3 PRO 6 HG1 PRO 6 62.927 -12.827 -14.453 44 HD2 PRO 6 HD2 PRO 6 64.379 -11.184 -12.796 45 HD3 PRO 6 HD1 PRO 6 64.166 -10.877 -14.534 46 H LYS 7 HN LYS 7 59.166 -9.204 -12.438 47 HA LYS 7 HA LYS 7 59.732 -9.364 -9.601 48 HB2 LYS 7 HB2 LYS 7 57.081 -9.017 -11.038 49 HB3 LYS 7 HB1 LYS 7 57.367 -8.721 -9.323 50 HG2 LYS 7 HG2 LYS 7 59.203 -7.086 -10.089 51 HG3 LYS 7 HG1 LYS 7 58.467 -7.201 -11.689 52 HD2 LYS 7 HD2 LYS 7 57.104 -6.301 -9.135 53 HD3 LYS 7 HD1 LYS 7 57.508 -5.292 -10.523 54 HE2 LYS 7 HE2 LYS 7 55.230 -5.792 -10.861 55 HE3 LYS 7 HE1 LYS 7 56.061 -6.961 -11.887 56 HZ1 LYS 7 HZ1 LYS 7 54.239 -7.558 -9.971 57 HZ2 LYS 7 HZ2 LYS 7 55.714 -7.868 -9.187 58 HZ3 LYS 7 HZ3 LYS 7 55.346 -8.650 -10.650 59 H ALA 8 HN ALA 8 58.234 -10.654 -8.114 60 HA ALA 8 HA ALA 8 56.988 -13.055 -9.170 61 HB1 ALA 8 HB1 ALA 8 58.560 -14.661 -8.111 62 HB2 ALA 8 HB2 ALA 8 59.634 -13.321 -7.709 63 HB3 ALA 8 HB3 ALA 8 59.336 -13.736 -9.397 64 H GLU 9 HN GLU 9 58.646 -13.486 -6.193 65 HA GLU 9 HA GLU 9 56.724 -12.162 -4.476 66 HB2 GLU 9 HB2 GLU 9 55.828 -14.386 -3.549 67 HB3 GLU 9 HB1 GLU 9 55.183 -13.866 -5.106 68 HG2 GLU 9 HG2 GLU 9 56.729 -15.336 -6.286 69 HG3 GLU 9 HG1 GLU 9 57.498 -15.794 -4.767 70 H1U RCY 10 H1U RCY 10 59.428 -13.879 6.458 71 H1S RCY 10 H1S RCY 10 58.019 -14.252 2.528 72 HB1 RCY 10 HB1 RCY 10 58.725 -11.283 -0.688 73 HB2 RCY 10 HB2 RCY 10 59.902 -12.178 0.269 74 HA RCY 10 HA RCY 10 60.079 -13.202 -1.833 75 HN1 RCY 10 HN1 RCY 10 57.241 -12.538 -2.194 76 H ARG 11 HN ARG 11 56.931 -14.482 -0.780 77 HA ARG 11 HA ARG 11 56.379 -16.537 0.208 78 HE ARG 11 HE ARG 11 55.532 -19.725 -2.463 79 HB2 ARG 11 HB2 ARG 11 57.129 -17.445 -1.905 80 HB3 ARG 11 HB1 ARG 11 58.818 -17.312 -1.419 81 HG2 ARG 11 HG2 ARG 11 58.687 -19.115 0.040 82 HG3 ARG 11 HG1 ARG 11 56.953 -18.912 0.297 83 HD2 ARG 11 HD2 ARG 11 57.885 -19.602 -2.458 84 HD3 ARG 11 HD1 ARG 11 57.898 -20.876 -1.238 85 HH11 ARG 11 HH21 ARG 11 56.894 -21.114 0.384 86 HH12 ARG 11 HH22 ARG 11 55.380 -21.711 0.977 87 HH21 ARG 11 HH11 ARG 11 53.547 -20.498 -1.704 88 HH22 ARG 11 HH12 ARG 11 53.486 -21.363 -0.205 89 H SER 12 HN SER 12 58.889 -14.751 1.207 90 HA SER 12 HA SER 12 59.924 -16.765 3.154 91 HG SER 12 HG SER 12 61.433 -15.157 4.611 92 HB2 SER 12 HB2 SER 12 61.568 -15.424 1.807 93 HB3 SER 12 HB1 SER 12 60.948 -13.969 2.582 94 H ALA 13 HN ALA 13 58.256 -13.658 2.905 95 HA ALA 13 HA ALA 13 57.214 -12.347 4.559 96 HB1 ALA 13 HB1 ALA 13 56.786 -14.998 5.952 97 HB2 ALA 13 HB2 ALA 13 55.868 -14.520 4.524 98 HB3 ALA 13 HB3 ALA 13 55.754 -13.569 6.006 99 H THR 14 HN THR 14 60.005 -12.481 4.884 100 HA THR 14 HA THR 14 60.692 -13.208 7.612 101 HB THR 14 HB THR 14 62.214 -11.305 5.816 102 HG1 THR 14 HG1 THR 14 62.196 -12.981 4.529 103 HG21 THR 14 HG21 THR 14 64.133 -12.070 7.066 104 HG22 THR 14 HG22 THR 14 63.171 -13.304 7.880 105 HG23 THR 14 HG23 THR 14 62.891 -11.597 8.226 106 H ARG 15 HN ARG 15 58.694 -11.899 8.394 107 HA ARG 15 HA ARG 15 58.596 -9.081 8.375 108 HE ARG 15 HE ARG 15 54.048 -8.837 10.149 109 HB2 ARG 15 HB2 ARG 15 56.850 -10.661 9.306 110 HB3 ARG 15 HB1 ARG 15 57.863 -10.825 10.741 111 HG2 ARG 15 HG2 ARG 15 57.763 -8.372 11.078 112 HG3 ARG 15 HG1 ARG 15 56.711 -8.232 9.670 113 HD2 ARG 15 HD2 ARG 15 56.026 -10.019 12.009 114 HD3 ARG 15 HD1 ARG 15 55.548 -8.322 11.955 115 HH11 ARG 15 HH21 ARG 15 55.975 -11.489 11.217 116 HH12 ARG 15 HH22 ARG 15 55.025 -12.682 10.397 117 HH21 ARG 15 HH11 ARG 15 52.795 -10.380 9.073 118 HH22 ARG 15 HH12 ARG 15 53.224 -12.055 9.183 119 H VAL 16 HN VAL 16 60.037 -11.160 10.916 120 HA VAL 16 HA VAL 16 61.624 -8.807 11.832 121 HB VAL 16 HB VAL 16 60.306 -10.050 13.536 122 HG11 VAL 16 HG11 VAL 16 60.800 -12.338 14.064 123 HG12 VAL 16 HG12 VAL 16 62.191 -12.353 12.980 124 HG13 VAL 16 HG13 VAL 16 60.558 -12.270 12.318 125 HG21 VAL 16 HG21 VAL 16 63.276 -10.531 13.899 126 HG22 VAL 16 HG22 VAL 16 62.078 -10.219 15.156 127 HG23 VAL 16 HG23 VAL 16 62.535 -8.936 14.036 128 H MET 17 HN MET 17 63.877 -8.855 11.753 129 HA MET 17 HA MET 17 65.043 -10.958 10.035 130 HB2 MET 17 HB2 MET 17 65.454 -8.349 9.935 131 HB3 MET 17 HB1 MET 17 66.641 -8.691 11.192 132 HG2 MET 17 HG2 MET 17 66.523 -10.031 8.473 133 HG3 MET 17 HG1 MET 17 67.678 -8.788 8.954 134 HE1 MET 17 HE1 MET 17 68.410 -11.613 7.757 135 HE2 MET 17 HE2 MET 17 67.003 -12.357 8.512 136 HE3 MET 17 HE3 MET 17 68.617 -12.946 8.900 137 H GLY 18 HN GLY 18 66.476 -9.329 12.872 138 HA2 GLY 18 HA2 GLY 18 67.403 -12.014 13.794 139 HA3 GLY 18 HA1 GLY 18 68.200 -10.489 14.185 140 H GLY 19 HN GLY 19 65.271 -12.401 14.802 141 HA2 GLY 19 HA2 GLY 19 63.751 -12.308 16.595 142 HA3 GLY 19 HA1 GLY 19 65.193 -11.996 17.563 143 HA PRO 20 HA PRO 20 62.234 -8.390 18.051 144 HB2 PRO 20 HB2 PRO 20 63.929 -8.295 20.518 145 HB3 PRO 20 HB1 PRO 20 62.177 -8.070 20.344 146 HG2 PRO 20 HG2 PRO 20 63.202 -10.328 21.314 147 HG3 PRO 20 HG1 PRO 20 61.759 -10.329 20.286 148 HD2 PRO 20 HD2 PRO 20 64.540 -11.175 19.621 149 HD3 PRO 20 HD1 PRO 20 62.995 -11.753 18.959 150 H1U RCY 21 H1U RCY 21 63.810 -3.018 10.167 151 H1S RCY 21 H1S RCY 21 64.619 -4.680 13.747 152 HB1 RCY 21 HB1 RCY 21 65.083 -6.660 14.648 153 HB2 RCY 21 HB2 RCY 21 66.415 -6.996 15.754 154 HA RCY 21 HA RCY 21 65.530 -5.457 17.394 155 HN1 RCY 21 HN1 RCY 21 63.163 -7.030 16.480 156 H THR 22 HN THR 22 64.833 -3.387 17.574 157 HA THR 22 HA THR 22 62.423 -2.461 16.259 158 HB THR 22 HB THR 22 63.145 -1.595 18.467 159 HG1 THR 22 HG1 THR 22 61.935 -0.070 17.659 160 HG21 THR 22 HG21 THR 22 65.326 -0.130 16.973 161 HG22 THR 22 HG22 THR 22 65.614 -1.656 17.808 162 HG23 THR 22 HG23 THR 22 65.090 -0.239 18.718 163 HA PRO 23 HA PRO 23 63.832 -1.222 12.244 164 HB2 PRO 23 HB2 PRO 23 62.699 1.443 13.042 165 HB3 PRO 23 HB1 PRO 23 62.474 0.532 11.535 166 HG2 PRO 23 HG2 PRO 23 60.620 0.576 13.476 167 HG3 PRO 23 HG1 PRO 23 60.883 -0.838 12.443 168 HD2 PRO 23 HD2 PRO 23 61.489 -0.500 15.310 169 HD3 PRO 23 HD1 PRO 23 61.344 -1.994 14.360 170 H ARG 24 HN ARG 24 64.131 1.608 14.429 171 HA ARG 24 HA ARG 24 67.057 1.538 14.213 172 HE ARG 24 HE ARG 24 65.920 6.078 13.178 173 HB2 ARG 24 HB2 ARG 24 66.981 4.006 13.366 174 HB3 ARG 24 HB1 ARG 24 66.773 2.707 12.192 175 HG2 ARG 24 HG2 ARG 24 64.346 2.950 12.292 176 HG3 ARG 24 HG1 ARG 24 64.495 4.173 13.555 177 HD2 ARG 24 HD2 ARG 24 65.830 4.508 10.867 178 HD3 ARG 24 HD1 ARG 24 64.164 5.018 11.142 179 HH11 ARG 24 HH21 ARG 24 64.880 6.377 9.904 180 HH12 ARG 24 HH22 ARG 24 65.220 8.072 9.811 181 HH21 ARG 24 HH11 ARG 24 66.370 8.291 13.075 182 HH22 ARG 24 HH12 ARG 24 66.063 9.156 11.606 183 H LYS 25 HN LYS 25 67.832 2.229 16.148 184 HA LYS 25 HA LYS 25 66.089 3.236 18.195 185 HB2 LYS 25 HB2 LYS 25 69.088 3.554 18.237 186 HB3 LYS 25 HB1 LYS 25 67.994 3.250 19.588 187 HG2 LYS 25 HG2 LYS 25 67.453 1.019 18.492 188 HG3 LYS 25 HG1 LYS 25 68.802 1.325 17.398 189 HD2 LYS 25 HD2 LYS 25 68.939 1.136 20.421 190 HD3 LYS 25 HD1 LYS 25 69.594 -0.024 19.265 191 HE2 LYS 25 HE2 LYS 25 70.927 2.007 18.330 192 HE3 LYS 25 HE1 LYS 25 70.547 2.768 19.875 193 HZ1 LYS 25 HZ1 LYS 25 72.206 1.633 20.766 194 HZ2 LYS 25 HZ2 LYS 25 72.499 0.820 19.303 195 HZ3 LYS 25 HZ3 LYS 25 71.394 0.182 20.425 196 H GLY 26 HN GLY 26 68.899 4.881 16.686 197 HA2 GLY 26 HA2 GLY 26 67.321 7.394 16.627 198 HA3 GLY 26 HA1 GLY 26 68.828 7.401 17.543 199 HA PRO 27 HA PRO 27 69.900 8.405 13.157 200 HB2 PRO 27 HB2 PRO 27 71.313 10.674 13.660 201 HB3 PRO 27 HB1 PRO 27 69.545 10.665 13.510 202 HG2 PRO 27 HG2 PRO 27 71.233 10.775 15.951 203 HG3 PRO 27 HG1 PRO 27 69.690 11.572 15.605 204 HD2 PRO 27 HD2 PRO 27 69.966 9.269 17.141 205 HD3 PRO 27 HD1 PRO 27 68.462 9.778 16.343 206 HA PRO 28 HA PRO 28 73.898 6.560 12.837 207 HB2 PRO 28 HB2 PRO 28 74.846 9.205 11.776 208 HB3 PRO 28 HB1 PRO 28 75.121 7.573 11.135 209 HG2 PRO 28 HG2 PRO 28 73.290 9.234 10.092 210 HG3 PRO 28 HG1 PRO 28 73.072 7.477 10.125 211 HD2 PRO 28 HD2 PRO 28 71.645 9.550 11.662 212 HD3 PRO 28 HD1 PRO 28 71.186 7.861 11.357 213 H LYS 29 HN LYS 29 75.586 6.314 14.271 214 HA LYS 29 HA LYS 29 76.309 8.661 15.987 215 HB2 LYS 29 HB2 LYS 29 76.900 6.594 17.620 216 HB3 LYS 29 HB1 LYS 29 75.317 7.366 17.610 217 HG2 LYS 29 HG2 LYS 29 75.020 4.950 17.465 218 HG3 LYS 29 HG1 LYS 29 74.550 5.680 15.929 219 HD2 LYS 29 HD2 LYS 29 76.703 5.105 14.945 220 HD3 LYS 29 HD1 LYS 29 77.280 4.487 16.493 221 HE2 LYS 29 HE2 LYS 29 74.846 3.382 15.072 222 HE3 LYS 29 HE1 LYS 29 76.465 2.709 14.880 223 HZ1 LYS 29 HZ1 LYS 29 75.526 3.134 17.606 224 HZ2 LYS 29 HZ2 LYS 29 76.472 1.877 16.964 225 HZ3 LYS 29 HZ3 LYS 29 74.788 1.878 16.737 226 H1U RCY 30 H1U RCY 30 82.157 9.033 7.466 227 H1S RCY 30 H1S RCY 30 82.587 6.375 10.495 228 HB1 RCY 30 HB1 RCY 30 79.733 8.068 12.067 229 HB2 RCY 30 HB2 RCY 30 79.199 6.525 12.733 230 HA RCY 30 HA RCY 30 80.365 7.257 14.908 231 HN1 RCY 30 HN1 RCY 30 77.980 8.915 14.241 232 H LYS 31 HN LYS 31 82.288 8.427 13.477 233 HA LYS 31 HA LYS 31 82.250 11.224 14.469 234 HB2 LYS 31 HB2 LYS 31 84.157 9.792 15.091 235 HB3 LYS 31 HB1 LYS 31 84.514 9.519 13.388 236 HG2 LYS 31 HG2 LYS 31 84.318 12.328 13.721 237 HG3 LYS 31 HG1 LYS 31 85.309 11.734 15.054 238 HD2 LYS 31 HD2 LYS 31 85.780 10.879 12.193 239 HD3 LYS 31 HD1 LYS 31 86.556 12.301 12.891 240 HE2 LYS 31 HE2 LYS 31 87.612 10.958 14.608 241 HE3 LYS 31 HE1 LYS 31 86.715 9.527 14.101 242 HZ1 LYS 31 HZ1 LYS 31 87.826 9.630 11.960 243 HZ2 LYS 31 HZ2 LYS 31 88.962 9.519 13.219 244 HZ3 LYS 31 HZ3 LYS 31 88.689 11.008 12.447 245 H GLN 32 HN GLN 32 80.683 11.672 12.601 246 HA GLN 32 HA GLN 32 80.290 12.666 10.516 247 HB2 GLN 32 HB2 GLN 32 83.277 13.118 10.389 248 HB3 GLN 32 HB1 GLN 32 81.998 14.096 9.671 249 HG2 GLN 32 HG2 GLN 32 81.179 14.637 11.970 250 HG3 GLN 32 HG1 GLN 32 82.559 13.760 12.631 251 HE21 GLN 32 HE21 GLN 32 84.771 14.614 11.982 252 HE22 GLN 32 HE22 GLN 32 84.937 16.273 11.664 253 H ARG 33 HN ARG 33 80.450 12.219 8.239 254 HA ARG 33 HA ARG 33 81.670 9.561 7.669 255 HE ARG 33 HE ARG 33 77.922 11.492 7.294 256 HB2 ARG 33 HB2 ARG 33 79.475 11.188 6.385 257 HB3 ARG 33 HB1 ARG 33 80.250 9.873 5.505 258 HG2 ARG 33 HG2 ARG 33 78.309 8.954 6.608 259 HG3 ARG 33 HG1 ARG 33 79.732 8.368 7.470 260 HD2 ARG 33 HD2 ARG 33 77.881 9.218 8.968 261 HD3 ARG 33 HD1 ARG 33 79.440 10.004 9.216 262 HH11 ARG 33 HH21 ARG 33 78.089 10.656 10.634 263 HH12 ARG 33 HH22 ARG 33 77.341 12.122 11.175 264 HH21 ARG 33 HH11 ARG 33 76.944 13.411 7.981 265 HH22 ARG 33 HH12 ARG 33 76.693 13.681 9.673 266 H GLN 34 HN GLN 34 83.743 11.108 7.756 267 HA GLN 34 HA GLN 34 84.650 11.357 5.017 268 HB2 GLN 34 HB2 GLN 34 83.274 13.454 5.315 269 HB3 GLN 34 HB1 GLN 34 84.403 13.941 6.580 270 HG2 GLN 34 HG2 GLN 34 86.261 13.889 4.994 271 HG3 GLN 34 HG1 GLN 34 85.190 13.297 3.723 272 HE21 GLN 34 HE21 GLN 34 84.647 15.902 6.153 273 HE22 GLN 34 HE22 GLN 34 84.354 17.116 5.004 274 H THR 35 HN THR 35 86.248 9.941 6.012 275 HA THR 35 HA THR 35 88.553 11.396 7.011 276 HB THR 35 HB THR 35 87.503 9.320 8.926 277 HG1 THR 35 HG1 THR 35 85.909 10.651 9.258 278 HG21 THR 35 HG21 THR 35 88.963 10.426 10.478 279 HG22 THR 35 HG22 THR 35 89.190 11.790 9.383 280 HG23 THR 35 HG23 THR 35 89.875 10.214 8.983 281 H ARG 36 HN ARG 36 87.208 8.971 5.309 282 HA ARG 36 HA ARG 36 89.777 7.582 5.024 283 HE ARG 36 HE ARG 36 87.825 4.032 7.924 284 HB2 ARG 36 HB2 ARG 36 88.829 6.340 6.895 285 HB3 ARG 36 HB1 ARG 36 87.307 6.134 6.028 286 HG2 ARG 36 HG2 ARG 36 88.184 4.557 4.576 287 HG3 ARG 36 HG1 ARG 36 89.822 5.203 4.699 288 HD2 ARG 36 HD2 ARG 36 89.650 3.027 5.849 289 HD3 ARG 36 HD1 ARG 36 89.999 4.319 6.998 290 HH11 ARG 36 HH21 ARG 36 88.305 2.282 4.993 291 HH12 ARG 36 HH22 ARG 36 86.851 1.353 5.154 292 HH21 ARG 36 HH11 ARG 36 85.925 2.829 8.151 293 HH22 ARG 36 HH12 ARG 36 85.504 1.663 6.942 294 H GLN 37 HN GLN 37 86.663 8.483 3.931 295 HA GLN 37 HA GLN 37 85.559 8.175 1.877 296 HB2 GLN 37 HB2 GLN 37 88.314 7.777 0.709 297 HB3 GLN 37 HB1 GLN 37 86.921 8.585 -0.010 298 HG2 GLN 37 HG2 GLN 37 87.326 10.019 2.326 299 HG3 GLN 37 HG1 GLN 37 88.969 9.661 1.791 300 HE21 GLN 37 HE21 GLN 37 89.790 11.111 0.279 301 HE22 GLN 37 HE22 GLN 37 88.853 12.083 -0.750 302 H1U RCY 38 H1U RCY 38 83.033 2.429 0.259 303 H1S RCY 38 H1S RCY 38 82.749 3.723 3.533 304 HB1 RCY 38 HB1 RCY 38 84.459 2.881 0.360 305 HB2 RCY 38 HB2 RCY 38 83.747 4.400 -0.183 306 HA RCY 38 HA RCY 38 86.640 3.884 0.550 307 HN1 RCY 38 HN1 RCY 38 85.798 6.588 -0.268 308 H LYS 39 HN LYS 39 86.979 2.538 -1.214 309 HA LYS 39 HA LYS 39 85.921 2.966 -3.847 310 HB2 LYS 39 HB2 LYS 39 87.599 4.920 -3.541 311 HB3 LYS 39 HB1 LYS 39 88.850 3.683 -3.628 312 HG2 LYS 39 HG2 LYS 39 88.672 4.253 -5.873 313 HG3 LYS 39 HG1 LYS 39 87.504 2.934 -5.787 314 HD2 LYS 39 HD2 LYS 39 86.447 4.774 -6.943 315 HD3 LYS 39 HD1 LYS 39 85.714 4.655 -5.342 316 HE2 LYS 39 HE2 LYS 39 86.672 6.978 -6.365 317 HE3 LYS 39 HE1 LYS 39 86.613 6.634 -4.636 318 HZ1 LYS 39 HZ1 LYS 39 88.883 5.677 -4.875 319 HZ2 LYS 39 HZ2 LYS 39 88.798 7.350 -5.156 320 HZ3 LYS 39 HZ3 LYS 39 88.921 6.272 -6.464 321 H SER 40 HN SER 40 88.794 2.089 -4.827 322 HA SER 40 HA SER 40 88.301 -0.723 -4.800 323 HG SER 40 HG SER 40 92.082 0.502 -5.306 324 HB2 SER 40 HB2 SER 40 90.559 -0.955 -5.672 325 HB3 SER 40 HB1 SER 40 89.846 0.485 -6.390 326 H LYS 41 HN LYS 41 91.465 -0.110 -3.607 327 HA LYS 41 HA LYS 41 90.682 -0.544 -0.796 328 HB2 LYS 41 HB2 LYS 41 91.956 -2.560 -0.488 329 HB3 LYS 41 HB1 LYS 41 90.870 -2.832 -1.843 330 HG2 LYS 41 HG2 LYS 41 93.835 -2.217 -1.948 331 HG3 LYS 41 HG1 LYS 41 93.013 -3.660 -2.542 332 HD2 LYS 41 HD2 LYS 41 91.738 -2.130 -4.131 333 HD3 LYS 41 HD1 LYS 41 92.868 -0.856 -3.669 334 HE2 LYS 41 HE2 LYS 41 94.759 -2.270 -4.395 335 HE3 LYS 41 HE1 LYS 41 93.627 -3.537 -4.868 336 HZ1 LYS 41 HZ1 LYS 41 93.198 -0.854 -5.945 337 HZ2 LYS 41 HZ2 LYS 41 92.911 -2.369 -6.658 338 HZ3 LYS 41 HZ3 LYS 41 94.492 -1.752 -6.574 339 HA PRO 42 HA PRO 42 94.496 1.958 -1.083 340 HB2 PRO 42 HB2 PRO 42 93.450 4.400 -0.774 341 HB3 PRO 42 HB1 PRO 42 93.279 3.543 -2.320 342 HG2 PRO 42 HG2 PRO 42 91.261 4.075 -0.242 343 HG3 PRO 42 HG1 PRO 42 91.053 3.791 -1.976 344 HD2 PRO 42 HD2 PRO 42 90.792 1.876 0.193 345 HD3 PRO 42 HD1 PRO 42 90.496 1.620 -1.543 346 HA PRO 43 HA PRO 43 94.766 2.450 3.361 347 HB2 PRO 43 HB2 PRO 43 96.872 4.139 3.602 348 HB3 PRO 43 HB1 PRO 43 97.070 2.477 3.010 349 HG2 PRO 43 HG2 PRO 43 96.981 5.024 1.476 350 HG3 PRO 43 HG1 PRO 43 97.995 3.592 1.232 351 HD2 PRO 43 HD2 PRO 43 95.707 4.147 -0.234 352 HD3 PRO 43 HD1 PRO 43 96.395 2.521 -0.029 353 H LYS 44 HN LYS 44 93.329 3.648 4.580 354 HA LYS 44 HA LYS 44 92.046 5.478 5.305 355 HB2 LYS 44 HB2 LYS 44 94.598 6.922 4.512 356 HB3 LYS 44 HB1 LYS 44 93.290 7.643 5.446 357 HG2 LYS 44 HG2 LYS 44 94.635 6.910 7.180 358 HG3 LYS 44 HG1 LYS 44 93.645 5.469 6.950 359 HD2 LYS 44 HD2 LYS 44 95.356 4.449 5.560 360 HD3 LYS 44 HD1 LYS 44 96.322 5.924 5.602 361 HE2 LYS 44 HE2 LYS 44 95.656 4.125 7.949 362 HE3 LYS 44 HE1 LYS 44 97.243 4.366 7.218 363 HZ1 LYS 44 HZ1 LYS 44 97.379 5.838 8.922 364 HZ2 LYS 44 HZ2 LYS 44 95.707 6.138 8.963 365 HZ3 LYS 44 HZ3 LYS 44 96.674 6.860 7.766 366 H LYS 45 HN LYS 45 93.629 7.691 3.151 367 HA LYS 45 HA LYS 45 91.107 7.926 1.602 368 HB2 LYS 45 HB2 LYS 45 92.235 9.954 2.584 369 HB3 LYS 45 HB1 LYS 45 93.587 9.670 1.492 370 HG2 LYS 45 HG2 LYS 45 90.919 9.685 0.207 371 HG3 LYS 45 HG1 LYS 45 91.446 11.236 0.860 372 HD2 LYS 45 HD2 LYS 45 93.417 9.646 -0.729 373 HD3 LYS 45 HD1 LYS 45 92.128 10.477 -1.602 374 HE2 LYS 45 HE2 LYS 45 94.119 11.920 -1.393 375 HE3 LYS 45 HE1 LYS 45 92.753 12.600 -0.510 376 HZ1 LYS 45 HZ1 LYS 45 93.650 11.512 1.508 377 HZ2 LYS 45 HZ2 LYS 45 94.673 12.710 0.871 378 HZ3 LYS 45 HZ3 LYS 45 95.027 11.067 0.622 379 H GLY 46 HN GLY 46 91.131 7.830 -0.731 380 HA2 GLY 46 HA2 GLY 46 93.541 6.454 -1.863 381 HA3 GLY 46 HA1 GLY 46 91.898 5.979 -2.294 382 H VAL 47 HN VAL 47 91.514 6.637 -4.353 383 HA VAL 47 HA VAL 47 92.879 8.899 -5.545 384 HB VAL 47 HB VAL 47 90.378 7.612 -6.644 385 HG11 VAL 47 HG11 VAL 47 91.283 8.234 -8.756 386 HG12 VAL 47 HG12 VAL 47 92.880 8.529 -8.070 387 HG13 VAL 47 HG13 VAL 47 91.550 9.631 -7.714 388 HG21 VAL 47 HG21 VAL 47 93.203 6.529 -6.547 389 HG22 VAL 47 HG22 VAL 47 92.026 5.993 -7.745 390 HG23 VAL 47 HG23 VAL 47 91.719 5.728 -6.029 391 H GLN 48 HN GLN 48 89.922 9.343 -6.779 392 HA GLN 48 HA GLN 48 89.493 11.912 -5.763 393 HB2 GLN 48 HB2 GLN 48 88.299 10.656 -7.709 394 HB3 GLN 48 HB1 GLN 48 87.165 10.127 -6.467 395 HG2 GLN 48 HG2 GLN 48 87.887 13.024 -6.992 396 HG3 GLN 48 HG1 GLN 48 86.443 12.230 -7.621 397 HE21 GLN 48 HE21 GLN 48 85.121 11.046 -5.758 398 HE22 GLN 48 HE22 GLN 48 84.946 11.929 -4.319 399 H GLY 49 HN GLY 49 88.175 8.830 -4.550 400 HA2 GLY 49 HA2 GLY 49 88.103 8.662 -2.030 401 HA3 GLY 49 HA1 GLY 49 87.400 10.280 -2.047 402 H1U RCY 50 H1U RCY 50 82.950 3.551 -1.998 403 H1S RCY 50 H1S RCY 50 83.767 7.837 -1.628 404 HB1 RCY 50 HB1 RCY 50 81.737 9.902 -2.764 405 HB2 RCY 50 HB2 RCY 50 83.073 10.984 -2.370 406 HA RCY 50 HA RCY 50 83.626 8.048 -2.625 407 HN1 RCY 50 HN1 RCY 50 85.241 10.528 -2.947 408 H GLY 51 HN GLY 51 82.891 10.924 -4.574 409 HA2 GLY 51 HA2 GLY 51 83.444 10.005 -7.144 410 HA3 GLY 51 HA1 GLY 51 81.881 9.292 -6.744 411 H ASP 52 HN ASP 52 82.523 12.280 -5.203 412 HA ASP 52 HA ASP 52 81.418 13.960 -7.331 413 HB2 ASP 52 HB2 ASP 52 79.424 14.628 -5.941 414 HB3 ASP 52 HB1 ASP 52 79.349 12.973 -6.546 415 H ASP 53 HN ASP 53 80.324 15.452 -4.697 416 HA ASP 53 HA ASP 53 82.826 16.287 -3.444 417 HB2 ASP 53 HB2 ASP 53 81.396 18.072 -5.424 418 HB3 ASP 53 HB1 ASP 53 82.457 18.717 -4.171 419 H ILE 54 HN ILE 54 79.842 15.451 -3.027 420 HA ILE 54 HA ILE 54 79.364 17.413 -0.828 421 HB ILE 54 HB ILE 54 77.198 16.367 -2.676 422 HG12 ILE 54 HG12 ILE 54 78.455 19.127 -2.526 423 HG13 ILE 54 HG11 ILE 54 78.728 17.960 -3.821 424 HG21 ILE 54 HG21 ILE 54 75.792 18.000 -1.509 425 HG22 ILE 54 HG22 ILE 54 77.168 18.516 -0.534 426 HG23 ILE 54 HG23 ILE 54 76.512 16.891 -0.342 427 HD11 ILE 54 HD11 ILE 54 76.140 19.346 -3.091 428 HD12 ILE 54 HD12 ILE 54 76.196 17.939 -4.154 429 HD13 ILE 54 HD13 ILE 54 77.018 19.429 -4.618 430 HA PRO 55 HA PRO 55 78.895 13.039 0.589 431 HB2 PRO 55 HB2 PRO 55 80.711 13.095 2.593 432 HB3 PRO 55 HB1 PRO 55 81.188 12.860 0.900 433 HG2 PRO 55 HG2 PRO 55 81.380 15.288 2.595 434 HG3 PRO 55 HG1 PRO 55 82.472 14.700 1.332 435 HD2 PRO 55 HD2 PRO 55 80.555 16.721 1.006 436 HD3 PRO 55 HD1 PRO 55 81.351 15.833 -0.310 437 H GLY 56 HN GLY 56 77.915 12.258 2.582 438 HA2 GLY 56 HA2 GLY 56 76.778 12.469 4.646 439 HA3 GLY 56 HA1 GLY 56 77.374 14.125 4.765 440 H MET 57 HN MET 57 76.394 15.066 2.253 441 HA MET 57 HA MET 57 74.456 16.102 1.428 442 HB2 MET 57 HB2 MET 57 73.121 13.517 2.284 443 HB3 MET 57 HB1 MET 57 72.565 14.637 1.040 444 HG2 MET 57 HG2 MET 57 74.832 14.209 -0.109 445 HG3 MET 57 HG1 MET 57 74.983 12.830 0.980 446 HE1 MET 57 HE1 MET 57 72.322 13.401 -2.643 447 HE2 MET 57 HE2 MET 57 74.016 13.837 -2.434 448 HE3 MET 57 HE3 MET 57 72.775 14.685 -1.515 449 H GLU 58 HN GLU 58 71.980 14.655 3.089 450 HA GLU 58 HA GLU 58 72.134 16.082 5.608 451 HB2 GLU 58 HB2 GLU 58 71.658 17.886 3.818 452 HB3 GLU 58 HB1 GLU 58 70.066 17.142 3.675 453 HG2 GLU 58 HG2 GLU 58 71.241 18.081 6.305 454 HG3 GLU 58 HG1 GLU 58 70.165 19.063 5.311 455 H GLY 59 HN GLY 59 71.319 14.314 6.688 456 HA2 GLY 59 HA2 GLY 59 69.466 13.097 7.576 457 HA3 GLY 59 HA1 GLY 59 68.490 13.633 6.208 458 H1U RCY 60 H1U RCY 60 75.011 5.684 3.545 459 H1S RCY 60 H1S RCY 60 74.653 10.187 5.240 460 HB1 RCY 60 HB1 RCY 60 72.013 8.855 4.541 461 HB2 RCY 60 HB2 RCY 60 70.682 9.170 5.654 462 HA RCY 60 HA RCY 60 71.647 10.852 3.347 463 HN1 RCY 60 HN1 RCY 60 71.103 12.738 4.634 464 H GLY 61 HN GLY 61 68.593 11.704 4.037 465 HA2 GLY 61 HA2 GLY 61 66.864 9.580 3.621 466 HA3 GLY 61 HA1 GLY 61 66.587 11.170 2.907 467 H THR 62 HN THR 62 68.183 11.545 0.942 468 HA THR 62 HA THR 62 68.305 10.971 -1.357 469 HB THR 62 HB THR 62 69.784 8.714 -1.406 470 HG1 THR 62 HG1 THR 62 71.021 9.079 0.709 471 HG21 THR 62 HG21 THR 62 70.549 10.935 -2.102 472 HG22 THR 62 HG22 THR 62 71.761 10.177 -1.068 473 HG23 THR 62 HG23 THR 62 70.702 11.429 -0.416 474 H ASP 63 HN ASP 63 65.878 9.870 -0.009 475 HA ASP 63 HA ASP 63 65.412 7.167 -0.758 476 HB2 ASP 63 HB2 ASP 63 63.559 9.546 -0.488 477 HB3 ASP 63 HB1 ASP 63 62.965 7.933 -0.885 478 H ILE 64 HN ILE 64 66.655 7.232 -2.853 479 HA ILE 64 HA ILE 64 66.834 7.579 -5.180 480 HB ILE 64 HB ILE 64 65.504 5.615 -5.268 481 HG12 ILE 64 HG12 ILE 64 63.707 7.458 -6.818 482 HG13 ILE 64 HG11 ILE 64 65.404 7.323 -7.279 483 HG21 ILE 64 HG21 ILE 64 63.162 7.385 -4.502 484 HG22 ILE 64 HG22 ILE 64 63.939 6.182 -3.473 485 HG23 ILE 64 HG23 ILE 64 63.040 5.672 -4.903 486 HD11 ILE 64 HD11 ILE 64 65.171 4.888 -7.499 487 HD12 ILE 64 HD12 ILE 64 63.991 5.708 -8.521 488 HD13 ILE 64 HD13 ILE 64 63.485 4.992 -6.991 489 H THR 65 HN THR 65 65.987 9.904 -3.573 490 HA THR 65 HA THR 65 63.969 11.467 -4.729 491 HB THR 65 HB THR 65 66.738 12.470 -3.989 492 HG1 THR 65 HG1 THR 65 64.952 11.231 -2.505 493 HG21 THR 65 HG21 THR 65 64.011 13.788 -4.089 494 HG22 THR 65 HG22 THR 65 65.390 14.142 -5.130 495 HG23 THR 65 HG23 THR 65 65.457 14.539 -3.413 496 H VAL 66 HN VAL 66 66.798 10.191 -6.126 497 HA VAL 66 HA VAL 66 66.160 11.509 -8.687 498 HB VAL 66 HB VAL 66 69.055 11.453 -7.896 499 HG11 VAL 66 HG11 VAL 66 69.251 13.147 -9.529 500 HG12 VAL 66 HG12 VAL 66 67.540 13.563 -9.429 501 HG13 VAL 66 HG13 VAL 66 68.038 12.059 -10.204 502 HG21 VAL 66 HG21 VAL 66 68.821 13.745 -6.957 503 HG22 VAL 66 HG22 VAL 66 67.961 12.548 -5.987 504 HG23 VAL 66 HG23 VAL 66 67.068 13.601 -7.084 505 H ILE 67 HN ILE 67 69.094 9.741 -7.706 506 HA ILE 67 HA ILE 67 68.116 7.359 -9.198 507 HB ILE 67 HB ILE 67 70.852 8.590 -9.624 508 HG12 ILE 67 HG12 ILE 67 68.401 8.619 -11.416 509 HG13 ILE 67 HG11 ILE 67 69.055 10.016 -10.560 510 HG21 ILE 67 HG21 ILE 67 71.019 6.952 -11.425 511 HG22 ILE 67 HG22 ILE 67 69.376 6.395 -11.109 512 HG23 ILE 67 HG23 ILE 67 70.646 6.117 -9.917 513 HD11 ILE 67 HD11 ILE 67 69.943 10.162 -12.766 514 HD12 ILE 67 HD12 ILE 67 70.334 8.443 -12.802 515 HD13 ILE 67 HD13 ILE 67 71.261 9.536 -11.774 516 H1U RCY 68 H1U RCY 68 71.171 3.978 1.219 517 H1S RCY 68 H1S RCY 68 68.779 6.321 -1.369 518 HB1 RCY 68 HB1 RCY 68 68.951 4.230 -4.369 519 HB2 RCY 68 HB2 RCY 68 67.670 5.051 -5.257 520 HA RCY 68 HA RCY 68 70.479 6.040 -5.564 521 HN1 RCY 68 HN1 RCY 68 68.005 6.198 -7.169 522 HA PRO 69 HA PRO 69 72.210 2.819 -8.170 523 HB2 PRO 69 HB2 PRO 69 73.276 1.973 -5.495 524 HB3 PRO 69 HB1 PRO 69 74.121 2.118 -7.049 525 HG2 PRO 69 HG2 PRO 69 74.348 3.980 -5.150 526 HG3 PRO 69 HG1 PRO 69 74.332 4.399 -6.871 527 HD2 PRO 69 HD2 PRO 69 72.243 4.864 -4.816 528 HD3 PRO 69 HD1 PRO 69 72.522 5.712 -6.353 529 H TRP 70 HN TRP 70 70.072 2.353 -5.516 530 HA TRP 70 HA TRP 70 69.982 -0.528 -5.513 531 HD1 TRP 70 HD1 TRP 70 69.628 -1.721 -3.372 532 HE1 TRP 70 HE1 TRP 70 67.919 -3.546 -2.748 533 HE3 TRP 70 HE3 TRP 70 65.309 0.580 -4.829 534 HZ2 TRP 70 HZ2 TRP 70 65.089 -3.975 -2.853 535 HZ3 TRP 70 HZ3 TRP 70 63.127 -0.555 -4.557 536 HH2 TRP 70 HH2 TRP 70 63.008 -2.826 -3.573 537 HB2 TRP 70 HB2 TRP 70 69.053 1.075 -3.737 538 HB3 TRP 70 HB1 TRP 70 67.678 1.304 -4.816 539 H GLU 71 HN GLU 71 69.274 1.565 -7.960 540 HA GLU 71 HA GLU 71 67.484 -0.429 -9.251 541 HB2 GLU 71 HB2 GLU 71 66.894 2.510 -8.866 542 HB3 GLU 71 HB1 GLU 71 66.166 1.588 -10.182 543 HG2 GLU 71 HG2 GLU 71 66.020 0.716 -7.286 544 HG3 GLU 71 HG1 GLU 71 64.779 1.707 -8.054 545 H ALA 72 HN ALA 72 69.686 2.315 -9.512 546 HA ALA 72 HA ALA 72 69.796 2.219 -12.424 547 HB1 ALA 72 HB1 ALA 72 70.337 4.325 -11.481 548 HB2 ALA 72 HB2 ALA 72 71.887 3.669 -12.005 549 HB3 ALA 72 HB3 ALA 72 71.433 3.608 -10.301 550 H1U RCY 73 H1U RCY 73 76.491 -1.799 -4.137 551 H1S RCY 73 H1S RCY 73 77.245 -1.109 -8.170 552 HB1 RCY 73 HB1 RCY 73 73.862 -0.993 -9.008 553 HB2 RCY 73 HB2 RCY 73 74.021 0.762 -8.959 554 HA RCY 73 HA RCY 73 74.159 0.286 -11.657 555 HN1 RCY 73 HN1 RCY 73 72.337 1.577 -9.976 556 H ASN 74 HN ASN 74 71.752 -1.401 -9.598 557 HA ASN 74 HA ASN 74 70.714 -3.483 -9.889 558 HB2 ASN 74 HB2 ASN 74 70.829 -2.220 -12.555 559 HB3 ASN 74 HB1 ASN 74 70.686 -3.976 -12.611 560 HD21 ASN 74 HD21 ASN 74 69.347 -1.727 -10.146 561 HD22 ASN 74 HD22 ASN 74 67.727 -2.151 -10.419 562 H HIS 75 HN HIS 75 71.212 -5.723 -10.354 563 HA HIS 75 HA HIS 75 72.649 -7.546 -10.688 564 HD1 HIS 75 HD1 HIS 75 76.348 -7.457 -12.821 565 HD2 HIS 75 HD2 HIS 75 72.556 -9.188 -12.664 566 HE1 HIS 75 HE1 HIS 75 76.641 -9.882 -13.489 567 HE2 HIS 75 HE2 HIS 75 74.340 -10.948 -13.397 568 HB2 HIS 75 HB2 HIS 75 73.071 -6.123 -12.883 569 HB3 HIS 75 HB1 HIS 75 74.631 -5.805 -12.125 570 H1U RCY 76 H1U RCY 76 75.429 -0.087 -2.374 571 H1S RCY 76 H1S RCY 76 75.304 -3.359 -5.175 572 HB1 RCY 76 HB1 RCY 76 76.037 -5.002 -6.460 573 HB2 RCY 76 HB2 RCY 76 74.688 -5.972 -7.052 574 HA RCY 76 HA RCY 76 76.451 -4.217 -8.789 575 HN1 RCY 76 HN1 RCY 76 74.675 -4.611 -10.275 576 H GLU 77 HN GLU 77 78.185 -5.279 -9.766 577 HA GLU 77 HA GLU 77 78.512 -8.146 -9.731 578 HB2 GLU 77 HB2 GLU 77 80.657 -6.031 -10.074 579 HB3 GLU 77 HB1 GLU 77 80.737 -7.713 -10.599 580 HG2 GLU 77 HG2 GLU 77 78.722 -7.264 -12.055 581 HG3 GLU 77 HG1 GLU 77 78.890 -5.555 -11.652 582 H LEU 78 HN LEU 78 81.369 -8.031 -8.897 583 HA LEU 78 HA LEU 78 82.614 -8.460 -6.963 584 HG LEU 78 HG LEU 78 81.330 -5.379 -7.498 585 HB2 LEU 78 HB2 LEU 78 80.695 -6.600 -5.552 586 HB3 LEU 78 HB1 LEU 78 82.371 -6.948 -5.134 587 HD11 LEU 78 HD11 LEU 78 81.737 -4.190 -5.352 588 HD12 LEU 78 HD12 LEU 78 82.846 -3.663 -6.618 589 HD13 LEU 78 HD13 LEU 78 83.401 -4.773 -5.365 590 HD21 LEU 78 HD21 LEU 78 84.027 -6.677 -7.063 591 HD22 LEU 78 HD22 LEU 78 83.821 -5.283 -8.123 592 HD23 LEU 78 HD23 LEU 78 82.981 -6.793 -8.478 593 H HIS 79 HN HIS 79 82.571 -10.067 -5.454 594 HA HIS 79 HA HIS 79 80.552 -10.754 -3.655 595 HD1 HIS 79 HD1 HIS 79 77.428 -13.294 -5.179 596 HD2 HIS 79 HD2 HIS 79 78.624 -9.528 -3.840 597 HE1 HIS 79 HE1 HIS 79 75.440 -12.302 -3.963 598 HE2 HIS 79 HE2 HIS 79 76.155 -10.010 -3.143 599 HB2 HIS 79 HB2 HIS 79 79.826 -11.444 -6.386 600 HB3 HIS 79 HB1 HIS 79 79.960 -12.899 -5.405 601 H GLU 80 HN GLU 80 81.930 -11.773 -2.283 602 HA GLU 80 HA GLU 80 83.309 -14.212 -3.222 603 HB2 GLU 80 HB2 GLU 80 85.397 -13.230 -1.881 604 HB3 GLU 80 HB1 GLU 80 85.173 -12.883 -3.595 605 HG2 GLU 80 HG2 GLU 80 83.980 -11.094 -1.479 606 HG3 GLU 80 HG1 GLU 80 85.645 -10.881 -2.019 607 H LEU 81 HN LEU 81 82.893 -11.972 -0.461 608 HA LEU 81 HA LEU 81 82.902 -14.319 1.368 609 HG LEU 81 HG LEU 81 82.361 -10.862 0.906 610 HB2 LEU 81 HB2 LEU 81 83.035 -12.627 3.171 611 HB3 LEU 81 HB1 LEU 81 84.338 -12.434 2.000 612 HD11 LEU 81 HD11 LEU 81 81.329 -9.573 2.639 613 HD12 LEU 81 HD12 LEU 81 82.320 -10.333 3.885 614 HD13 LEU 81 HD13 LEU 81 81.065 -11.264 3.066 615 HD21 LEU 81 HD21 LEU 81 83.706 -8.962 1.835 616 HD22 LEU 81 HD22 LEU 81 84.706 -10.226 1.119 617 HD23 LEU 81 HD23 LEU 81 84.549 -10.113 2.872 618 H ALA 82 HN ALA 82 80.853 -11.645 0.268 619 HA ALA 82 HA ALA 82 78.687 -12.145 2.089 620 HB1 ALA 82 HB1 ALA 82 79.033 -10.066 0.652 621 HB2 ALA 82 HB2 ALA 82 77.388 -10.701 0.687 622 HB3 ALA 82 HB3 ALA 82 78.424 -11.013 -0.706 623 H GLN 83 HN GLN 83 78.476 -12.674 -1.433 624 HA GLN 83 HA GLN 83 77.263 -14.315 -2.607 625 HB2 GLN 83 HB2 GLN 83 78.635 -15.980 -0.476 626 HB3 GLN 83 HB1 GLN 83 77.848 -16.647 -1.907 627 HG2 GLN 83 HG2 GLN 83 79.360 -15.106 -3.281 628 HG3 GLN 83 HG1 GLN 83 80.271 -14.842 -1.793 629 HE21 GLN 83 HE21 GLN 83 79.443 -17.257 -4.248 630 HE22 GLN 83 HE22 GLN 83 80.585 -18.411 -3.751 631 H TYR 84 HN TYR 84 75.520 -12.992 -1.041 632 HA TYR 84 HA TYR 84 73.484 -13.179 0.117 633 HD1 TYR 84 HD1 TYR 84 72.098 -12.774 -2.049 634 HD2 TYR 84 HD2 TYR 84 74.363 -16.307 -2.963 635 HE1 TYR 84 HE1 TYR 84 72.271 -12.051 -4.415 636 HE2 TYR 84 HE2 TYR 84 74.537 -15.584 -5.329 637 HH TYR 84 HH TYR 84 73.550 -14.155 -6.890 638 HB2 TYR 84 HB2 TYR 84 73.453 -16.050 -0.823 639 HB3 TYR 84 HB1 TYR 84 72.086 -14.959 -0.591 640 H GLY 85 HN GLY 85 75.006 -13.148 2.095 641 HA2 GLY 85 HA2 GLY 85 74.266 -15.435 3.807 642 HA3 GLY 85 HA1 GLY 85 75.997 -15.159 3.603 643 H ILE 86 HN ILE 86 73.271 -12.874 3.976 644 HA ILE 86 HA ILE 86 72.977 -11.118 5.504 645 HB ILE 86 HB ILE 86 74.778 -12.656 7.378 646 HG12 ILE 86 HG12 ILE 86 73.260 -14.306 6.445 647 HG13 ILE 86 HG11 ILE 86 72.690 -13.885 8.060 648 HG21 ILE 86 HG21 ILE 86 73.311 -11.698 9.075 649 HG22 ILE 86 HG22 ILE 86 72.265 -11.018 7.829 650 HG23 ILE 86 HG23 ILE 86 73.906 -10.406 8.033 651 HD11 ILE 86 HD11 ILE 86 70.750 -13.843 6.675 652 HD12 ILE 86 HD12 ILE 86 71.589 -12.956 5.403 653 HD13 ILE 86 HD13 ILE 86 71.189 -12.153 6.921 654 H1U RCY 87 H1U RCY 87 73.339 -4.890 0.137 655 H1S RCY 87 H1S RCY 87 73.164 -5.072 4.375 656 HB1 RCY 87 HB1 RCY 87 76.258 -6.479 5.482 657 HB2 RCY 87 HB2 RCY 87 75.543 -6.921 7.033 658 HA RCY 87 HA RCY 87 76.570 -8.691 4.840 659 HN1 RCY 87 HN1 RCY 87 74.046 -9.202 6.126 Start of MODEL 44 1 HA MET 1 HA MET 1 52.720 1.732 12.666 2 HB2 MET 1 HB2 MET 1 55.089 3.316 13.680 3 HB3 MET 1 HB1 MET 1 54.213 3.527 12.164 4 HG2 MET 1 HG2 MET 1 53.390 5.256 13.559 5 HG3 MET 1 HG1 MET 1 52.149 4.005 13.635 6 HE1 MET 1 HE1 MET 1 55.146 5.454 16.647 7 HE2 MET 1 HE2 MET 1 55.221 5.461 14.886 8 HE3 MET 1 HE3 MET 1 55.773 4.047 15.780 9 H ASN 2 HN ASN 2 55.744 1.322 14.545 10 HA ASN 2 HA ASN 2 56.906 -0.284 12.370 11 HB2 ASN 2 HB2 ASN 2 57.906 0.564 15.098 12 HB3 ASN 2 HB1 ASN 2 58.826 -0.498 14.032 13 HD21 ASN 2 HD21 ASN 2 60.429 1.394 14.055 14 HD22 ASN 2 HD22 ASN 2 60.173 2.663 12.957 15 H LEU 3 HN LEU 3 55.384 -0.787 15.498 16 HA LEU 3 HA LEU 3 54.835 -2.767 16.641 17 HG LEU 3 HG LEU 3 52.651 -3.346 15.996 18 HB2 LEU 3 HB2 LEU 3 54.658 -3.494 13.724 19 HB3 LEU 3 HB1 LEU 3 54.409 -4.735 14.952 20 HD11 LEU 3 HD11 LEU 3 53.390 -1.471 13.742 21 HD12 LEU 3 HD12 LEU 3 53.333 -1.124 15.470 22 HD13 LEU 3 HD13 LEU 3 51.837 -1.374 14.571 23 HD21 LEU 3 HD21 LEU 3 52.037 -4.983 14.246 24 HD22 LEU 3 HD22 LEU 3 52.271 -3.747 13.010 25 HD23 LEU 3 HD23 LEU 3 50.976 -3.575 14.195 26 H GLU 4 HN GLU 4 55.551 -5.249 16.733 27 HA GLU 4 HA GLU 4 58.292 -5.325 17.404 28 HB2 GLU 4 HB2 GLU 4 56.261 -7.457 16.753 29 HB3 GLU 4 HB1 GLU 4 57.936 -7.899 17.082 30 HG2 GLU 4 HG2 GLU 4 56.312 -6.150 18.943 31 HG3 GLU 4 HG1 GLU 4 56.388 -7.905 19.105 32 HA PRO 5 HA PRO 5 60.426 -5.596 13.555 33 HB2 PRO 5 HB2 PRO 5 62.404 -7.446 14.186 34 HB3 PRO 5 HB1 PRO 5 62.459 -5.724 14.607 35 HG2 PRO 5 HG2 PRO 5 61.707 -8.055 16.286 36 HG3 PRO 5 HG1 PRO 5 62.594 -6.585 16.722 37 HD2 PRO 5 HD2 PRO 5 59.977 -6.946 17.380 38 HD3 PRO 5 HD1 PRO 5 60.654 -5.340 17.026 39 HA PRO 6 HA PRO 6 58.758 -9.160 11.472 40 HB2 PRO 6 HB2 PRO 6 60.144 -9.044 9.127 41 HB3 PRO 6 HB1 PRO 6 58.869 -7.882 9.545 42 HG2 PRO 6 HG2 PRO 6 61.826 -7.576 9.721 43 HG3 PRO 6 HG1 PRO 6 60.600 -6.415 9.183 44 HD2 PRO 6 HD2 PRO 6 61.728 -6.346 11.684 45 HD3 PRO 6 HD1 PRO 6 60.088 -5.752 11.340 46 H LYS 7 HN LYS 7 59.264 -11.350 11.022 47 HA LYS 7 HA LYS 7 61.966 -12.210 11.920 48 HB2 LYS 7 HB2 LYS 7 59.590 -13.153 12.706 49 HB3 LYS 7 HB1 LYS 7 59.786 -14.163 11.276 50 HG2 LYS 7 HG2 LYS 7 60.843 -15.468 12.893 51 HG3 LYS 7 HG1 LYS 7 62.208 -14.556 12.247 52 HD2 LYS 7 HD2 LYS 7 62.516 -14.199 14.517 53 HD3 LYS 7 HD1 LYS 7 61.501 -12.813 14.117 54 HE2 LYS 7 HE2 LYS 7 60.641 -13.940 16.122 55 HE3 LYS 7 HE1 LYS 7 59.495 -14.103 14.791 56 HZ1 LYS 7 HZ1 LYS 7 59.619 -16.282 15.070 57 HZ2 LYS 7 HZ2 LYS 7 60.853 -16.126 16.228 58 HZ3 LYS 7 HZ3 LYS 7 61.241 -16.233 14.578 59 H ALA 8 HN ALA 8 61.834 -14.760 10.533 60 HA ALA 8 HA ALA 8 62.766 -15.595 8.534 61 HB1 ALA 8 HB1 ALA 8 61.361 -15.099 6.544 62 HB2 ALA 8 HB2 ALA 8 60.537 -13.838 7.462 63 HB3 ALA 8 HB3 ALA 8 60.386 -15.526 7.950 64 H GLU 9 HN GLU 9 62.026 -13.277 6.281 65 HA GLU 9 HA GLU 9 64.032 -11.285 6.711 66 HB2 GLU 9 HB2 GLU 9 65.624 -12.175 4.889 67 HB3 GLU 9 HB1 GLU 9 65.715 -12.945 6.473 68 HG2 GLU 9 HG2 GLU 9 64.424 -14.823 5.736 69 HG3 GLU 9 HG1 GLU 9 63.976 -14.009 4.237 70 H1U RCY 10 H1U RCY 10 56.873 -10.166 3.896 71 H1S RCY 10 H1S RCY 10 58.583 -13.831 3.947 72 HB1 RCY 10 HB1 RCY 10 62.109 -13.248 1.492 73 HB2 RCY 10 HB2 RCY 10 60.471 -12.623 1.303 74 HA RCY 10 HA RCY 10 62.203 -11.067 2.414 75 HN1 RCY 10 HN1 RCY 10 62.084 -13.175 4.476 76 H ARG 11 HN ARG 11 61.254 -9.768 4.510 77 HA ARG 11 HA ARG 11 58.298 -9.971 4.576 78 HE ARG 11 HE ARG 11 56.619 -5.810 7.866 79 HB2 ARG 11 HB2 ARG 11 59.620 -9.632 6.683 80 HB3 ARG 11 HB1 ARG 11 60.125 -8.060 6.065 81 HG2 ARG 11 HG2 ARG 11 57.244 -8.385 5.849 82 HG3 ARG 11 HG1 ARG 11 57.783 -8.606 7.513 83 HD2 ARG 11 HD2 ARG 11 58.875 -6.462 7.530 84 HD3 ARG 11 HD1 ARG 11 58.639 -6.266 5.793 85 HH11 ARG 11 HH21 ARG 11 57.337 -6.505 4.567 86 HH12 ARG 11 HH22 ARG 11 55.834 -5.885 3.970 87 HH21 ARG 11 HH11 ARG 11 54.652 -4.995 7.106 88 HH22 ARG 11 HH12 ARG 11 54.314 -5.030 5.408 89 H SER 12 HN SER 12 57.551 -9.117 2.634 90 HA SER 12 HA SER 12 57.311 -6.321 2.329 91 HG SER 12 HG SER 12 59.816 -8.392 1.689 92 HB2 SER 12 HB2 SER 12 58.847 -6.223 0.184 93 HB3 SER 12 HB1 SER 12 59.551 -5.975 1.778 94 H ALA 13 HN ALA 13 58.234 -7.834 -0.624 95 HA ALA 13 HA ALA 13 55.746 -9.187 -1.189 96 HB1 ALA 13 HB1 ALA 13 54.733 -7.028 -1.289 97 HB2 ALA 13 HB2 ALA 13 55.028 -7.486 -2.967 98 HB3 ALA 13 HB3 ALA 13 56.105 -6.346 -2.161 99 H THR 14 HN THR 14 56.691 -7.368 -3.876 100 HA THR 14 HA THR 14 58.916 -9.138 -4.656 101 HB THR 14 HB THR 14 57.693 -9.780 -6.789 102 HG1 THR 14 HG1 THR 14 55.461 -8.947 -5.252 103 HG21 THR 14 HG21 THR 14 56.624 -11.672 -5.781 104 HG22 THR 14 HG22 THR 14 56.355 -10.797 -4.274 105 HG23 THR 14 HG23 THR 14 57.990 -11.260 -4.745 106 H ARG 15 HN ARG 15 56.708 -6.493 -5.416 107 HA ARG 15 HA ARG 15 57.018 -4.552 -6.692 108 HE ARG 15 HE ARG 15 62.066 -1.612 -7.350 109 HB2 ARG 15 HB2 ARG 15 58.839 -4.162 -5.103 110 HB3 ARG 15 HB1 ARG 15 59.920 -5.175 -6.059 111 HG2 ARG 15 HG2 ARG 15 59.915 -3.636 -7.881 112 HG3 ARG 15 HG1 ARG 15 58.550 -2.740 -7.214 113 HD2 ARG 15 HD2 ARG 15 59.858 -1.790 -5.495 114 HD3 ARG 15 HD1 ARG 15 61.137 -2.990 -5.685 115 HH11 ARG 15 HH21 ARG 15 58.712 -0.966 -6.879 116 HH12 ARG 15 HH22 ARG 15 58.678 0.369 -7.982 117 HH21 ARG 15 HH11 ARG 15 62.041 0.128 -8.793 118 HH22 ARG 15 HH12 ARG 15 60.562 0.988 -9.066 119 H VAL 16 HN VAL 16 57.801 -3.782 -8.814 120 HA VAL 16 HA VAL 16 58.213 -6.070 -10.663 121 HB VAL 16 HB VAL 16 57.675 -3.175 -11.371 122 HG11 VAL 16 HG11 VAL 16 58.535 -4.719 -13.148 123 HG12 VAL 16 HG12 VAL 16 56.910 -4.120 -13.480 124 HG13 VAL 16 HG13 VAL 16 57.138 -5.758 -12.868 125 HG21 VAL 16 HG21 VAL 16 55.721 -5.441 -10.856 126 HG22 VAL 16 HG22 VAL 16 55.291 -3.881 -11.557 127 HG23 VAL 16 HG23 VAL 16 55.883 -3.969 -9.898 128 H MET 17 HN MET 17 60.513 -6.237 -9.896 129 HA MET 17 HA MET 17 62.336 -4.054 -10.566 130 HB2 MET 17 HB2 MET 17 62.880 -5.555 -8.712 131 HB3 MET 17 HB1 MET 17 62.860 -6.942 -9.802 132 HG2 MET 17 HG2 MET 17 64.788 -6.171 -10.979 133 HG3 MET 17 HG1 MET 17 64.692 -4.575 -10.234 134 HE1 MET 17 HE1 MET 17 67.966 -5.922 -8.875 135 HE2 MET 17 HE2 MET 17 67.131 -4.370 -8.877 136 HE3 MET 17 HE3 MET 17 67.147 -5.358 -10.336 137 H GLY 18 HN GLY 18 62.582 -3.623 -12.718 138 HA2 GLY 18 HA2 GLY 18 63.982 -4.493 -14.657 139 HA3 GLY 18 HA1 GLY 18 62.988 -5.947 -14.562 140 H GLY 19 HN GLY 19 62.348 -5.524 -16.801 141 HA2 GLY 19 HA2 GLY 19 60.811 -4.742 -18.391 142 HA3 GLY 19 HA1 GLY 19 59.833 -4.195 -17.028 143 HA PRO 20 HA PRO 20 60.399 -0.063 -18.670 144 HB2 PRO 20 HB2 PRO 20 60.177 0.575 -15.747 145 HB3 PRO 20 HB1 PRO 20 59.357 1.328 -17.129 146 HG2 PRO 20 HG2 PRO 20 58.115 -0.424 -15.540 147 HG3 PRO 20 HG1 PRO 20 57.788 -0.342 -17.278 148 HD2 PRO 20 HD2 PRO 20 59.241 -2.428 -15.746 149 HD3 PRO 20 HD1 PRO 20 58.416 -2.550 -17.315 150 H1U RCY 21 H1U RCY 21 67.850 3.563 -9.601 151 H1S RCY 21 H1S RCY 21 65.168 0.167 -11.695 152 HB1 RCY 21 HB1 RCY 21 65.407 -0.791 -14.399 153 HB2 RCY 21 HB2 RCY 21 63.780 -1.455 -14.273 154 HA RCY 21 HA RCY 21 64.245 0.864 -16.115 155 HN1 RCY 21 HN1 RCY 21 62.186 -1.194 -15.802 156 H THR 22 HN THR 22 66.555 0.237 -16.449 157 HA THR 22 HA THR 22 66.950 -2.267 -17.997 158 HB THR 22 HB THR 22 68.298 -0.828 -19.675 159 HG1 THR 22 HG1 THR 22 67.568 1.028 -18.022 160 HG21 THR 22 HG21 THR 22 66.228 -1.935 -20.307 161 HG22 THR 22 HG22 THR 22 66.223 -0.300 -20.968 162 HG23 THR 22 HG23 THR 22 65.275 -0.672 -19.528 163 HA PRO 23 HA PRO 23 70.712 -2.192 -15.630 164 HB2 PRO 23 HB2 PRO 23 72.251 -3.895 -17.120 165 HB3 PRO 23 HB1 PRO 23 70.906 -4.446 -16.102 166 HG2 PRO 23 HG2 PRO 23 70.984 -4.009 -19.046 167 HG3 PRO 23 HG1 PRO 23 70.209 -5.303 -18.115 168 HD2 PRO 23 HD2 PRO 23 68.824 -3.167 -19.134 169 HD3 PRO 23 HD1 PRO 23 68.324 -4.035 -17.666 170 H ARG 24 HN ARG 24 70.999 0.149 -16.382 171 HA ARG 24 HA ARG 24 73.631 0.637 -17.281 172 HE ARG 24 HE ARG 24 75.742 -0.817 -21.169 173 HB2 ARG 24 HB2 ARG 24 71.745 0.101 -19.424 174 HB3 ARG 24 HB1 ARG 24 72.347 1.750 -19.550 175 HG2 ARG 24 HG2 ARG 24 74.597 1.045 -19.716 176 HG3 ARG 24 HG1 ARG 24 74.232 -0.558 -19.077 177 HD2 ARG 24 HD2 ARG 24 72.804 -0.938 -21.141 178 HD3 ARG 24 HD1 ARG 24 73.480 0.556 -21.790 179 HH11 ARG 24 HH21 ARG 24 72.797 -1.706 -22.725 180 HH12 ARG 24 HH22 ARG 24 73.535 -2.908 -23.730 181 HH21 ARG 24 HH11 ARG 24 76.723 -2.382 -22.472 182 HH22 ARG 24 HH12 ARG 24 75.758 -3.291 -23.587 183 H LYS 25 HN LYS 25 73.831 3.074 -17.969 184 HA LYS 25 HA LYS 25 71.829 4.627 -16.368 185 HB2 LYS 25 HB2 LYS 25 74.708 5.352 -16.988 186 HB3 LYS 25 HB1 LYS 25 73.614 6.219 -15.911 187 HG2 LYS 25 HG2 LYS 25 74.423 3.326 -15.505 188 HG3 LYS 25 HG1 LYS 25 75.227 4.686 -14.720 189 HD2 LYS 25 HD2 LYS 25 72.836 5.363 -13.950 190 HD3 LYS 25 HD1 LYS 25 72.404 3.700 -14.350 191 HE2 LYS 25 HE2 LYS 25 73.013 3.780 -12.004 192 HE3 LYS 25 HE1 LYS 25 74.287 2.926 -12.876 193 HZ1 LYS 25 HZ1 LYS 25 75.103 4.626 -11.287 194 HZ2 LYS 25 HZ2 LYS 25 74.370 5.824 -12.243 195 HZ3 LYS 25 HZ3 LYS 25 75.627 4.875 -12.881 196 H GLY 26 HN GLY 26 70.889 6.428 -17.319 197 HA2 GLY 26 HA2 GLY 26 71.285 6.699 -20.242 198 HA3 GLY 26 HA1 GLY 26 69.961 7.403 -19.311 199 HA PRO 27 HA PRO 27 72.099 11.239 -19.060 200 HB2 PRO 27 HB2 PRO 27 71.628 12.067 -16.490 201 HB3 PRO 27 HB1 PRO 27 70.379 12.047 -17.750 202 HG2 PRO 27 HG2 PRO 27 70.875 10.106 -15.552 203 HG3 PRO 27 HG1 PRO 27 69.342 10.707 -16.206 204 HD2 PRO 27 HD2 PRO 27 70.385 8.252 -16.850 205 HD3 PRO 27 HD1 PRO 27 69.325 9.176 -17.937 206 HA PRO 28 HA PRO 28 76.292 11.102 -17.673 207 HB2 PRO 28 HB2 PRO 28 75.653 13.476 -15.951 208 HB3 PRO 28 HB1 PRO 28 77.011 13.228 -17.067 209 HG2 PRO 28 HG2 PRO 28 74.891 14.729 -17.716 210 HG3 PRO 28 HG1 PRO 28 75.770 13.765 -18.913 211 HD2 PRO 28 HD2 PRO 28 73.061 13.339 -17.806 212 HD3 PRO 28 HD1 PRO 28 73.776 12.712 -19.307 213 H LYS 29 HN LYS 29 77.624 10.731 -15.698 214 HA LYS 29 HA LYS 29 76.162 9.194 -13.710 215 HB2 LYS 29 HB2 LYS 29 78.539 8.741 -14.566 216 HB3 LYS 29 HB1 LYS 29 79.053 10.065 -13.520 217 HG2 LYS 29 HG2 LYS 29 77.858 8.853 -11.619 218 HG3 LYS 29 HG1 LYS 29 77.729 7.469 -12.705 219 HD2 LYS 29 HD2 LYS 29 80.254 7.662 -13.033 220 HD3 LYS 29 HD1 LYS 29 80.249 8.785 -11.673 221 HE2 LYS 29 HE2 LYS 29 79.074 7.004 -10.319 222 HE3 LYS 29 HE1 LYS 29 79.357 5.890 -11.657 223 HZ1 LYS 29 HZ1 LYS 29 81.792 6.932 -11.314 224 HZ2 LYS 29 HZ2 LYS 29 81.263 5.497 -10.573 225 HZ3 LYS 29 HZ3 LYS 29 81.219 6.964 -9.717 226 H1U RCY 30 H1U RCY 30 75.797 9.320 -6.751 227 H1S RCY 30 H1S RCY 30 76.007 11.497 -10.189 228 HB1 RCY 30 HB1 RCY 30 75.241 14.108 -13.062 229 HB2 RCY 30 HB2 RCY 30 75.463 14.743 -11.434 230 HA RCY 30 HA RCY 30 77.638 14.154 -12.330 231 HN1 RCY 30 HN1 RCY 30 77.486 12.420 -13.925 232 H LYS 31 HN LYS 31 79.068 13.853 -10.675 233 HA LYS 31 HA LYS 31 78.022 12.653 -8.188 234 HB2 LYS 31 HB2 LYS 31 80.233 11.363 -7.942 235 HB3 LYS 31 HB1 LYS 31 79.047 10.700 -9.061 236 HG2 LYS 31 HG2 LYS 31 81.081 10.641 -10.276 237 HG3 LYS 31 HG1 LYS 31 80.262 12.083 -10.877 238 HD2 LYS 31 HD2 LYS 31 81.792 13.494 -9.950 239 HD3 LYS 31 HD1 LYS 31 81.958 12.514 -8.493 240 HE2 LYS 31 HE2 LYS 31 83.464 11.003 -9.560 241 HE3 LYS 31 HE1 LYS 31 83.084 11.641 -11.159 242 HZ1 LYS 31 HZ1 LYS 31 83.941 13.763 -9.559 243 HZ2 LYS 31 HZ2 LYS 31 84.709 13.099 -10.921 244 HZ3 LYS 31 HZ3 LYS 31 85.060 12.502 -9.369 245 H GLN 32 HN GLN 32 80.009 14.845 -9.871 246 HA GLN 32 HA GLN 32 81.648 16.401 -9.127 247 HB2 GLN 32 HB2 GLN 32 79.394 16.620 -7.113 248 HB3 GLN 32 HB1 GLN 32 80.687 17.808 -7.275 249 HG2 GLN 32 HG2 GLN 32 80.038 18.327 -9.533 250 HG3 GLN 32 HG1 GLN 32 78.910 16.972 -9.580 251 HE21 GLN 32 HE21 GLN 32 78.772 18.338 -6.499 252 HE22 GLN 32 HE22 GLN 32 77.440 19.363 -6.731 253 H ARG 33 HN ARG 33 80.719 16.226 -5.839 254 HA ARG 33 HA ARG 33 82.879 14.339 -5.116 255 HE ARG 33 HE ARG 33 81.423 19.857 -5.152 256 HB2 ARG 33 HB2 ARG 33 83.512 16.292 -3.359 257 HB3 ARG 33 HB1 ARG 33 84.305 16.137 -4.925 258 HG2 ARG 33 HG2 ARG 33 83.579 18.450 -4.611 259 HG3 ARG 33 HG1 ARG 33 82.625 17.706 -5.895 260 HD2 ARG 33 HD2 ARG 33 80.772 17.325 -4.378 261 HD3 ARG 33 HD1 ARG 33 81.730 17.879 -3.004 262 HH11 ARG 33 HH21 ARG 33 80.258 18.492 -2.208 263 HH12 ARG 33 HH22 ARG 33 79.390 19.915 -1.737 264 HH21 ARG 33 HH11 ARG 33 80.296 21.723 -4.553 265 HH22 ARG 33 HH12 ARG 33 79.412 21.744 -3.064 266 H GLN 34 HN GLN 34 82.911 14.285 -2.535 267 HA GLN 34 HA GLN 34 80.110 14.570 -1.526 268 HB2 GLN 34 HB2 GLN 34 81.907 12.143 -1.233 269 HB3 GLN 34 HB1 GLN 34 80.369 12.361 -0.397 270 HG2 GLN 34 HG2 GLN 34 79.224 12.558 -2.590 271 HG3 GLN 34 HG1 GLN 34 80.763 12.274 -3.403 272 HE21 GLN 34 HE21 GLN 34 78.032 10.708 -2.040 273 HE22 GLN 34 HE22 GLN 34 78.650 9.128 -2.042 274 H THR 35 HN THR 35 81.639 16.531 -0.786 275 HA THR 35 HA THR 35 82.660 17.605 1.031 276 HB THR 35 HB THR 35 81.838 15.294 2.775 277 HG1 THR 35 HG1 THR 35 79.936 15.474 1.901 278 HG21 THR 35 HG21 THR 35 81.450 17.020 4.388 279 HG22 THR 35 HG22 THR 35 81.533 18.279 3.156 280 HG23 THR 35 HG23 THR 35 82.990 17.400 3.618 281 H ARG 36 HN ARG 36 83.771 14.809 -0.251 282 HA ARG 36 HA ARG 36 85.746 13.556 -0.002 283 HE ARG 36 HE ARG 36 87.098 19.000 -1.894 284 HB2 ARG 36 HB2 ARG 36 86.834 16.066 1.288 285 HB3 ARG 36 HB1 ARG 36 87.705 14.877 0.317 286 HG2 ARG 36 HG2 ARG 36 86.209 15.507 -1.624 287 HG3 ARG 36 HG1 ARG 36 85.602 16.836 -0.636 288 HD2 ARG 36 HD2 ARG 36 88.064 17.512 -0.329 289 HD3 ARG 36 HD1 ARG 36 88.412 16.403 -1.655 290 HH11 ARG 36 HH21 ARG 36 87.545 15.834 -3.183 291 HH12 ARG 36 HH22 ARG 36 87.135 16.291 -4.803 292 HH21 ARG 36 HH11 ARG 36 86.560 19.615 -4.001 293 HH22 ARG 36 HH12 ARG 36 86.577 18.432 -5.266 294 H GLN 37 HN GLN 37 83.834 13.384 2.191 295 HA GLN 37 HA GLN 37 85.401 13.432 4.670 296 HB2 GLN 37 HB2 GLN 37 82.952 13.908 4.638 297 HB3 GLN 37 HB1 GLN 37 82.661 12.246 4.129 298 HG2 GLN 37 HG2 GLN 37 84.405 12.381 6.469 299 HG3 GLN 37 HG1 GLN 37 82.839 13.137 6.766 300 HE21 GLN 37 HE21 GLN 37 84.306 10.239 7.162 301 HE22 GLN 37 HE22 GLN 37 82.993 9.192 6.914 302 H1U RCY 38 H1U RCY 38 85.019 5.335 -2.097 303 H1S RCY 38 H1S RCY 38 84.430 8.106 1.647 304 HB1 RCY 38 HB1 RCY 38 86.495 8.161 2.060 305 HB2 RCY 38 HB2 RCY 38 87.651 9.345 1.451 306 HA RCY 38 HA RCY 38 86.384 9.139 4.129 307 HN1 RCY 38 HN1 RCY 38 86.891 11.898 3.115 308 H LYS 39 HN LYS 39 88.748 8.162 2.702 309 HA LYS 39 HA LYS 39 90.951 7.752 3.498 310 HB2 LYS 39 HB2 LYS 39 92.396 9.784 2.907 311 HB3 LYS 39 HB1 LYS 39 91.416 9.107 1.608 312 HG2 LYS 39 HG2 LYS 39 89.762 10.829 1.837 313 HG3 LYS 39 HG1 LYS 39 90.474 11.400 3.347 314 HD2 LYS 39 HD2 LYS 39 92.301 12.383 2.268 315 HD3 LYS 39 HD1 LYS 39 92.128 11.367 0.836 316 HE2 LYS 39 HE2 LYS 39 91.349 13.885 0.760 317 HE3 LYS 39 HE1 LYS 39 90.377 12.640 -0.023 318 HZ1 LYS 39 HZ1 LYS 39 89.411 14.372 1.754 319 HZ2 LYS 39 HZ2 LYS 39 89.820 13.087 2.787 320 HZ3 LYS 39 HZ3 LYS 39 88.750 12.832 1.493 321 H SER 40 HN SER 40 89.098 8.810 5.622 322 HA SER 40 HA SER 40 90.709 10.619 7.245 323 HG SER 40 HG SER 40 88.460 11.101 9.411 324 HB2 SER 40 HB2 SER 40 88.229 10.540 7.417 325 HB3 SER 40 HB1 SER 40 88.338 8.892 8.028 326 H LYS 41 HN LYS 41 89.543 7.326 8.021 327 HA LYS 41 HA LYS 41 92.288 6.593 8.863 328 HB2 LYS 41 HB2 LYS 41 90.786 5.514 10.925 329 HB3 LYS 41 HB1 LYS 41 91.766 6.973 11.046 330 HG2 LYS 41 HG2 LYS 41 89.558 7.540 11.829 331 HG3 LYS 41 HG1 LYS 41 89.750 8.281 10.240 332 HD2 LYS 41 HD2 LYS 41 88.535 6.428 9.197 333 HD3 LYS 41 HD1 LYS 41 88.394 5.618 10.757 334 HE2 LYS 41 HE2 LYS 41 87.213 7.732 11.585 335 HE3 LYS 41 HE1 LYS 41 87.112 8.216 9.892 336 HZ1 LYS 41 HZ1 LYS 41 85.405 6.861 9.605 337 HZ2 LYS 41 HZ2 LYS 41 85.426 6.494 11.264 338 HZ3 LYS 41 HZ3 LYS 41 86.296 5.531 10.168 339 HA PRO 42 HA PRO 42 91.138 2.728 7.102 340 HB2 PRO 42 HB2 PRO 42 92.593 0.952 8.591 341 HB3 PRO 42 HB1 PRO 42 93.324 2.053 7.405 342 HG2 PRO 42 HG2 PRO 42 93.176 2.304 10.368 343 HG3 PRO 42 HG1 PRO 42 94.513 2.681 9.267 344 HD2 PRO 42 HD2 PRO 42 92.861 4.602 10.308 345 HD3 PRO 42 HD1 PRO 42 93.660 4.766 8.728 346 HA PRO 43 HA PRO 43 87.900 0.879 9.523 347 HB2 PRO 43 HB2 PRO 43 87.589 -1.511 8.267 348 HB3 PRO 43 HB1 PRO 43 87.139 0.027 7.504 349 HG2 PRO 43 HG2 PRO 43 89.577 -1.633 7.098 350 HG3 PRO 43 HG1 PRO 43 88.595 -0.757 5.910 351 HD2 PRO 43 HD2 PRO 43 90.977 0.200 6.910 352 HD3 PRO 43 HD1 PRO 43 89.678 1.245 6.295 353 H LYS 44 HN LYS 44 87.538 -0.657 11.212 354 HA LYS 44 HA LYS 44 89.888 -2.388 11.895 355 HB2 LYS 44 HB2 LYS 44 89.386 -0.248 13.336 356 HB3 LYS 44 HB1 LYS 44 88.079 -1.227 14.002 357 HG2 LYS 44 HG2 LYS 44 89.855 -3.049 14.375 358 HG3 LYS 44 HG1 LYS 44 91.048 -1.785 14.072 359 HD2 LYS 44 HD2 LYS 44 89.760 -0.419 15.855 360 HD3 LYS 44 HD1 LYS 44 89.028 -1.960 16.306 361 HE2 LYS 44 HE2 LYS 44 91.443 -2.864 16.415 362 HE3 LYS 44 HE1 LYS 44 91.940 -1.172 16.405 363 HZ1 LYS 44 HZ1 LYS 44 91.366 -0.958 18.521 364 HZ2 LYS 44 HZ2 LYS 44 91.135 -2.640 18.583 365 HZ3 LYS 44 HZ3 LYS 44 89.825 -1.612 18.249 366 H LYS 45 HN LYS 45 86.767 -2.435 10.883 367 HA LYS 45 HA LYS 45 85.119 -4.102 10.884 368 HB2 LYS 45 HB2 LYS 45 87.347 -5.461 10.597 369 HB3 LYS 45 HB1 LYS 45 87.054 -5.949 12.266 370 HG2 LYS 45 HG2 LYS 45 84.758 -6.689 11.597 371 HG3 LYS 45 HG1 LYS 45 85.168 -6.321 9.921 372 HD2 LYS 45 HD2 LYS 45 87.197 -7.873 10.265 373 HD3 LYS 45 HD1 LYS 45 86.367 -8.430 11.718 374 HE2 LYS 45 HE2 LYS 45 85.542 -8.720 8.843 375 HE3 LYS 45 HE1 LYS 45 85.586 -9.941 10.114 376 HZ1 LYS 45 HZ1 LYS 45 83.370 -9.517 10.061 377 HZ2 LYS 45 HZ2 LYS 45 83.561 -7.907 9.552 378 HZ3 LYS 45 HZ3 LYS 45 83.827 -8.324 11.178 379 H GLY 46 HN GLY 46 83.546 -4.977 12.326 380 HA2 GLY 46 HA2 GLY 46 82.776 -5.634 14.536 381 HA3 GLY 46 HA1 GLY 46 84.115 -4.725 15.237 382 H VAL 47 HN VAL 47 83.909 -2.449 15.467 383 HA VAL 47 HA VAL 47 81.120 -1.518 15.584 384 HB VAL 47 HB VAL 47 82.302 0.596 16.495 385 HG11 VAL 47 HG11 VAL 47 82.816 -0.614 18.675 386 HG12 VAL 47 HG12 VAL 47 82.469 -2.119 17.824 387 HG13 VAL 47 HG13 VAL 47 81.207 -0.902 18.014 388 HG21 VAL 47 HG21 VAL 47 84.597 0.372 17.142 389 HG22 VAL 47 HG22 VAL 47 84.520 -0.135 15.454 390 HG23 VAL 47 HG23 VAL 47 84.614 -1.344 16.734 391 H GLN 48 HN GLN 48 80.185 -0.194 14.096 392 HA GLN 48 HA GLN 48 81.878 0.764 11.838 393 HB2 GLN 48 HB2 GLN 48 79.759 -0.636 11.473 394 HB3 GLN 48 HB1 GLN 48 78.856 0.791 11.982 395 HG2 GLN 48 HG2 GLN 48 78.974 0.951 9.611 396 HG3 GLN 48 HG1 GLN 48 80.195 2.076 10.207 397 HE21 GLN 48 HE21 GLN 48 80.073 -1.475 9.512 398 HE22 GLN 48 HE22 GLN 48 81.549 -1.504 8.675 399 H GLY 49 HN GLY 49 79.102 2.524 11.775 400 HA2 GLY 49 HA2 GLY 49 79.694 4.552 13.765 401 HA3 GLY 49 HA1 GLY 49 80.228 5.036 12.154 402 H1U RCY 50 H1U RCY 50 79.178 1.327 7.961 403 H1S RCY 50 H1S RCY 50 74.618 2.780 7.829 404 HB1 RCY 50 HB1 RCY 50 74.581 2.429 11.920 405 HB2 RCY 50 HB2 RCY 50 75.932 2.364 10.789 406 HA RCY 50 HA RCY 50 75.786 5.051 11.235 407 HN1 RCY 50 HN1 RCY 50 77.481 2.939 12.396 408 H GLY 51 HN GLY 51 75.123 2.654 13.815 409 HA2 GLY 51 HA2 GLY 51 73.760 2.879 15.723 410 HA3 GLY 51 HA1 GLY 51 74.683 4.362 15.966 411 H ASP 52 HN ASP 52 72.691 3.930 13.124 412 HA ASP 52 HA ASP 52 70.889 5.233 12.358 413 HB2 ASP 52 HB2 ASP 52 69.742 3.726 13.974 414 HB3 ASP 52 HB1 ASP 52 70.022 4.914 15.248 415 H ASP 53 HN ASP 53 72.631 7.022 12.336 416 HA ASP 53 HA ASP 53 71.554 9.328 13.865 417 HB2 ASP 53 HB2 ASP 53 73.545 8.307 15.099 418 HB3 ASP 53 HB1 ASP 53 74.531 8.801 13.721 419 H ILE 54 HN ILE 54 73.362 8.018 11.171 420 HA ILE 54 HA ILE 54 74.328 10.277 9.878 421 HB ILE 54 HB ILE 54 74.470 7.908 9.038 422 HG12 ILE 54 HG12 ILE 54 73.455 10.035 7.126 423 HG13 ILE 54 HG11 ILE 54 75.136 9.729 7.566 424 HG21 ILE 54 HG21 ILE 54 72.640 6.922 7.871 425 HG22 ILE 54 HG22 ILE 54 71.738 8.437 7.855 426 HG23 ILE 54 HG23 ILE 54 71.952 7.554 9.366 427 HD11 ILE 54 HD11 ILE 54 74.847 8.645 5.469 428 HD12 ILE 54 HD12 ILE 54 73.285 7.976 5.943 429 HD13 ILE 54 HD13 ILE 54 74.768 7.351 6.664 430 HA PRO 55 HA PRO 55 70.632 12.739 9.381 431 HB2 PRO 55 HB2 PRO 55 71.565 14.472 7.444 432 HB3 PRO 55 HB1 PRO 55 71.929 14.622 9.173 433 HG2 PRO 55 HG2 PRO 55 73.599 13.511 6.982 434 HG3 PRO 55 HG1 PRO 55 74.076 14.467 8.394 435 HD2 PRO 55 HD2 PRO 55 74.438 11.759 8.251 436 HD3 PRO 55 HD1 PRO 55 74.171 12.617 9.785 437 H GLY 56 HN GLY 56 71.434 10.341 7.451 438 HA2 GLY 56 HA2 GLY 56 70.278 11.045 4.901 439 HA3 GLY 56 HA1 GLY 56 70.555 9.401 5.482 440 H MET 57 HN MET 57 68.989 8.747 7.318 441 HA MET 57 HA MET 57 66.693 8.013 7.385 442 HB2 MET 57 HB2 MET 57 65.499 10.145 8.532 443 HB3 MET 57 HB1 MET 57 66.650 9.125 9.390 444 HG2 MET 57 HG2 MET 57 67.371 11.386 9.740 445 HG3 MET 57 HG1 MET 57 68.479 10.692 8.555 446 HE1 MET 57 HE1 MET 57 65.239 13.785 8.184 447 HE2 MET 57 HE2 MET 57 65.405 12.456 9.329 448 HE3 MET 57 HE3 MET 57 64.625 12.178 7.774 449 H GLU 58 HN GLU 58 66.125 7.874 5.117 450 HA GLU 58 HA GLU 58 64.158 9.962 4.340 451 HB2 GLU 58 HB2 GLU 58 66.397 10.460 3.253 452 HB3 GLU 58 HB1 GLU 58 66.243 8.922 2.402 453 HG2 GLU 58 HG2 GLU 58 63.956 9.763 1.608 454 HG3 GLU 58 HG1 GLU 58 64.457 11.351 2.188 455 H GLY 59 HN GLY 59 65.669 7.072 2.863 456 HA2 GLY 59 HA2 GLY 59 63.178 5.554 3.124 457 HA3 GLY 59 HA1 GLY 59 63.564 6.019 1.466 458 H1U RCY 60 H1U RCY 60 66.412 2.566 -3.391 459 H1S RCY 60 H1S RCY 60 66.464 5.228 -0.264 460 HB1 RCY 60 HB1 RCY 60 67.558 3.008 1.282 461 HB2 RCY 60 HB2 RCY 60 68.812 3.414 2.451 462 HA RCY 60 HA RCY 60 66.304 2.465 3.101 463 HN1 RCY 60 HN1 RCY 60 65.828 5.142 4.054 464 H GLY 61 HN GLY 61 66.917 5.142 5.125 465 HA2 GLY 61 HA2 GLY 61 69.179 4.025 6.571 466 HA3 GLY 61 HA1 GLY 61 68.175 5.374 7.109 467 H THR 62 HN THR 62 65.848 3.355 6.462 468 HA THR 62 HA THR 62 65.968 1.975 9.120 469 HB THR 62 HB THR 62 64.140 3.365 9.393 470 HG1 THR 62 HG1 THR 62 62.430 2.080 9.262 471 HG21 THR 62 HG21 THR 62 64.264 4.578 7.340 472 HG22 THR 62 HG22 THR 62 62.621 3.942 7.425 473 HG23 THR 62 HG23 THR 62 63.818 3.158 6.394 474 H ASP 63 HN ASP 63 64.663 1.701 5.801 475 HA ASP 63 HA ASP 63 63.925 -1.059 6.044 476 HB2 ASP 63 HB2 ASP 63 63.103 -0.692 3.966 477 HB3 ASP 63 HB1 ASP 63 63.747 0.944 4.073 478 H ILE 64 HN ILE 64 66.903 0.225 6.387 479 HA ILE 64 HA ILE 64 68.341 -1.886 4.883 480 HB ILE 64 HB ILE 64 69.325 0.311 4.685 481 HG12 ILE 64 HG12 ILE 64 70.964 -1.206 6.735 482 HG13 ILE 64 HG11 ILE 64 70.842 -1.690 5.043 483 HG21 ILE 64 HG21 ILE 64 69.643 0.397 7.689 484 HG22 ILE 64 HG22 ILE 64 68.232 1.085 6.885 485 HG23 ILE 64 HG23 ILE 64 69.841 1.713 6.532 486 HD11 ILE 64 HD11 ILE 64 72.854 -0.301 5.442 487 HD12 ILE 64 HD12 ILE 64 71.824 1.008 6.022 488 HD13 ILE 64 HD13 ILE 64 71.730 0.493 4.338 489 H THR 65 HN THR 65 68.160 -0.635 8.213 490 HA THR 65 HA THR 65 68.349 -1.767 10.256 491 HB THR 65 HB THR 65 67.225 -3.662 8.561 492 HG1 THR 65 HG1 THR 65 66.361 -3.807 10.459 493 HG21 THR 65 HG21 THR 65 68.436 -5.653 8.630 494 HG22 THR 65 HG22 THR 65 69.401 -5.135 10.012 495 HG23 THR 65 HG23 THR 65 69.723 -4.467 8.412 496 H VAL 66 HN VAL 66 70.567 -0.868 8.520 497 HA VAL 66 HA VAL 66 72.899 -0.770 8.742 498 HB VAL 66 HB VAL 66 72.767 -3.072 10.697 499 HG11 VAL 66 HG11 VAL 66 74.569 -0.638 10.543 500 HG12 VAL 66 HG12 VAL 66 74.972 -2.209 9.849 501 HG13 VAL 66 HG13 VAL 66 74.772 -2.041 11.593 502 HG21 VAL 66 HG21 VAL 66 71.909 -0.216 11.031 503 HG22 VAL 66 HG22 VAL 66 72.714 -1.024 12.376 504 HG23 VAL 66 HG23 VAL 66 71.211 -1.679 11.727 505 H ILE 67 HN ILE 67 71.265 -3.847 8.415 506 HA ILE 67 HA ILE 67 73.276 -4.626 6.360 507 HB ILE 67 HB ILE 67 72.130 -6.549 8.404 508 HG12 ILE 67 HG12 ILE 67 74.904 -5.334 8.187 509 HG13 ILE 67 HG11 ILE 67 73.725 -4.989 9.453 510 HG21 ILE 67 HG21 ILE 67 73.714 -8.128 7.431 511 HG22 ILE 67 HG22 ILE 67 74.340 -6.880 6.353 512 HG23 ILE 67 HG23 ILE 67 72.693 -7.475 6.150 513 HD11 ILE 67 HD11 ILE 67 75.102 -7.626 8.893 514 HD12 ILE 67 HD12 ILE 67 73.727 -7.469 9.986 515 HD13 ILE 67 HD13 ILE 67 75.238 -6.632 10.343 516 H1U RCY 68 H1U RCY 68 70.577 -0.302 -2.869 517 H1S RCY 68 H1S RCY 68 69.665 -2.160 1.534 518 HB1 RCY 68 HB1 RCY 68 69.659 -3.066 3.733 519 HB2 RCY 68 HB2 RCY 68 68.734 -4.157 2.706 520 HA RCY 68 HA RCY 68 69.095 -5.299 4.798 521 HN1 RCY 68 HN1 RCY 68 71.808 -4.169 4.685 522 HA PRO 69 HA PRO 69 69.753 -9.264 2.953 523 HB2 PRO 69 HB2 PRO 69 67.945 -8.295 0.760 524 HB3 PRO 69 HB1 PRO 69 67.892 -9.818 1.670 525 HG2 PRO 69 HG2 PRO 69 66.231 -7.779 2.194 526 HG3 PRO 69 HG1 PRO 69 66.823 -8.870 3.456 527 HD2 PRO 69 HD2 PRO 69 67.502 -6.032 2.983 528 HD3 PRO 69 HD1 PRO 69 67.692 -7.005 4.458 529 H TRP 70 HN TRP 70 69.923 -6.382 0.941 530 HA TRP 70 HA TRP 70 71.435 -7.575 -1.218 531 HD1 TRP 70 HD1 TRP 70 72.993 -7.058 -2.542 532 HE1 TRP 70 HE1 TRP 70 73.295 -6.346 -5.000 533 HE3 TRP 70 HE3 TRP 70 69.802 -3.075 -2.704 534 HZ2 TRP 70 HZ2 TRP 70 72.312 -4.347 -6.801 535 HZ3 TRP 70 HZ3 TRP 70 69.504 -1.788 -4.797 536 HH2 TRP 70 HH2 TRP 70 70.752 -2.415 -6.844 537 HB2 TRP 70 HB2 TRP 70 70.077 -5.296 -1.038 538 HB3 TRP 70 HB1 TRP 70 71.628 -4.660 -0.504 539 H GLU 71 HN GLU 71 72.186 -5.998 1.827 540 HA GLU 71 HA GLU 71 75.017 -5.692 1.388 541 HB2 GLU 71 HB2 GLU 71 73.154 -4.986 3.378 542 HB3 GLU 71 HB1 GLU 71 74.291 -6.060 4.186 543 HG2 GLU 71 HG2 GLU 71 76.146 -4.658 3.088 544 HG3 GLU 71 HG1 GLU 71 74.882 -3.482 2.724 545 H ALA 72 HN ALA 72 73.822 -8.416 0.856 546 HA ALA 72 HA ALA 72 74.565 -10.289 2.837 547 HB1 ALA 72 HB1 ALA 72 73.307 -10.978 0.866 548 HB2 ALA 72 HB2 ALA 72 74.811 -11.898 0.931 549 HB3 ALA 72 HB3 ALA 72 74.655 -10.542 -0.185 550 H1U RCY 73 H1U RCY 73 75.050 -3.853 -1.055 551 H1S RCY 73 H1S RCY 73 78.347 -6.962 -2.830 552 HB1 RCY 73 HB1 RCY 73 80.041 -7.870 0.096 553 HB2 RCY 73 HB2 RCY 73 78.464 -7.082 0.120 554 HA RCY 73 HA RCY 73 78.931 -9.933 1.035 555 HN1 RCY 73 HN1 RCY 73 76.516 -8.295 0.804 556 H ASN 74 HN ASN 74 77.793 -9.492 3.563 557 HA ASN 74 HA ASN 74 78.577 -7.316 5.086 558 HB2 ASN 74 HB2 ASN 74 77.351 -9.239 6.015 559 HB3 ASN 74 HB1 ASN 74 78.804 -10.232 5.890 560 HD21 ASN 74 HD21 ASN 74 80.408 -10.004 7.528 561 HD22 ASN 74 HD22 ASN 74 80.251 -8.944 8.843 562 H HIS 75 HN HIS 75 80.633 -10.191 4.457 563 HA HIS 75 HA HIS 75 82.950 -9.443 5.773 564 HD1 HIS 75 HD1 HIS 75 85.447 -11.235 2.530 565 HD2 HIS 75 HD2 HIS 75 84.645 -10.853 6.606 566 HE1 HIS 75 HE1 HIS 75 87.638 -11.648 3.732 567 HE2 HIS 75 HE2 HIS 75 87.163 -11.418 6.214 568 HB2 HIS 75 HB2 HIS 75 82.504 -11.501 4.259 569 HB3 HIS 75 HB1 HIS 75 83.096 -10.486 2.944 570 H1U RCY 76 H1U RCY 76 78.484 -4.773 6.688 571 H1S RCY 76 H1S RCY 76 81.421 -3.007 4.303 572 HB1 RCY 76 HB1 RCY 76 84.363 -5.340 3.553 573 HB2 RCY 76 HB2 RCY 76 82.762 -5.604 4.239 574 HA RCY 76 HA RCY 76 82.288 -6.166 1.607 575 HN1 RCY 76 HN1 RCY 76 81.775 -8.198 2.671 576 H GLU 77 HN GLU 77 83.509 -8.378 0.639 577 HA GLU 77 HA GLU 77 86.337 -8.471 0.640 578 HB2 GLU 77 HB2 GLU 77 84.310 -9.163 -1.502 579 HB3 GLU 77 HB1 GLU 77 86.037 -9.440 -1.713 580 HG2 GLU 77 HG2 GLU 77 85.302 -11.494 -0.847 581 HG3 GLU 77 HG1 GLU 77 85.875 -10.657 0.596 582 H LEU 78 HN LEU 78 87.322 -8.034 -1.869 583 HA LEU 78 HA LEU 78 86.525 -5.500 -2.990 584 HG LEU 78 HG LEU 78 89.864 -5.070 -0.384 585 HB2 LEU 78 HB2 LEU 78 88.346 -4.098 -2.258 586 HB3 LEU 78 HB1 LEU 78 87.559 -4.750 -0.830 587 HD11 LEU 78 HD11 LEU 78 90.141 -7.452 -0.342 588 HD12 LEU 78 HD12 LEU 78 89.091 -7.662 -1.744 589 HD13 LEU 78 HD13 LEU 78 88.409 -7.152 -0.200 590 HD21 LEU 78 HD21 LEU 78 91.488 -5.364 -1.977 591 HD22 LEU 78 HD22 LEU 78 90.237 -4.726 -3.044 592 HD23 LEU 78 HD23 LEU 78 90.496 -6.467 -2.931 593 H HIS 79 HN HIS 79 87.795 -8.396 -3.342 594 HA HIS 79 HA HIS 79 89.636 -7.561 -5.559 595 HD1 HIS 79 HD1 HIS 79 91.743 -9.038 -2.078 596 HD2 HIS 79 HD2 HIS 79 92.043 -7.419 -5.911 597 HE1 HIS 79 HE1 HIS 79 93.794 -7.551 -2.069 598 HE2 HIS 79 HE2 HIS 79 93.988 -6.560 -4.396 599 HB2 HIS 79 HB2 HIS 79 89.832 -9.738 -3.514 600 HB3 HIS 79 HB1 HIS 79 90.452 -10.073 -5.130 601 H GLU 80 HN GLU 80 86.988 -9.641 -4.538 602 HA GLU 80 HA GLU 80 86.893 -10.979 -7.166 603 HB2 GLU 80 HB2 GLU 80 86.317 -12.035 -4.856 604 HB3 GLU 80 HB1 GLU 80 84.774 -11.199 -5.032 605 HG2 GLU 80 HG2 GLU 80 84.453 -12.297 -7.237 606 HG3 GLU 80 HG1 GLU 80 85.964 -13.176 -7.000 607 H LEU 81 HN LEU 81 84.563 -9.040 -5.235 608 HA LEU 81 HA LEU 81 82.883 -8.552 -7.546 609 HG LEU 81 HG LEU 81 80.780 -8.507 -4.609 610 HB2 LEU 81 HB2 LEU 81 82.991 -7.507 -4.726 611 HB3 LEU 81 HB1 LEU 81 81.958 -6.709 -5.910 612 HD11 LEU 81 HD11 LEU 81 80.896 -9.539 -7.398 613 HD12 LEU 81 HD12 LEU 81 80.497 -7.832 -7.204 614 HD13 LEU 81 HD13 LEU 81 79.499 -9.064 -6.431 615 HD21 LEU 81 HD21 LEU 81 82.518 -10.405 -6.205 616 HD22 LEU 81 HD22 LEU 81 81.365 -10.810 -4.934 617 HD23 LEU 81 HD23 LEU 81 82.866 -9.975 -4.530 618 H ALA 82 HN ALA 82 85.795 -7.736 -7.656 619 HA ALA 82 HA ALA 82 86.125 -4.938 -7.555 620 HB1 ALA 82 HB1 ALA 82 87.988 -6.487 -7.981 621 HB2 ALA 82 HB2 ALA 82 87.904 -5.260 -9.246 622 HB3 ALA 82 HB3 ALA 82 87.303 -6.889 -9.555 623 H GLN 83 HN GLN 83 83.797 -6.508 -9.289 624 HA GLN 83 HA GLN 83 83.680 -4.301 -11.310 625 HB2 GLN 83 HB2 GLN 83 83.846 -7.133 -11.751 626 HB3 GLN 83 HB1 GLN 83 82.246 -6.594 -12.260 627 HG2 GLN 83 HG2 GLN 83 83.767 -6.378 -14.144 628 HG3 GLN 83 HG1 GLN 83 83.345 -4.762 -13.577 629 HE21 GLN 83 HE21 GLN 83 85.152 -3.432 -13.489 630 HE22 GLN 83 HE22 GLN 83 86.722 -3.937 -13.086 631 H TYR 84 HN TYR 84 81.450 -3.743 -11.958 632 HA TYR 84 HA TYR 84 79.251 -3.156 -11.381 633 HD1 TYR 84 HD2 TYR 84 79.400 -4.477 -13.356 634 HD2 TYR 84 HD1 TYR 84 79.499 -7.833 -10.677 635 HE1 TYR 84 HE2 TYR 84 80.259 -5.913 -15.187 636 HE2 TYR 84 HE1 TYR 84 80.358 -9.269 -12.507 637 HH TYR 84 HH TYR 84 81.110 -9.322 -14.601 638 HB2 TYR 84 HB2 TYR 84 78.955 -5.714 -9.843 639 HB3 TYR 84 HB1 TYR 84 77.834 -4.951 -10.970 640 H GLY 85 HN GLY 85 81.686 -3.344 -9.238 641 HA2 GLY 85 HA2 GLY 85 80.040 -2.124 -7.083 642 HA3 GLY 85 HA1 GLY 85 81.115 -3.457 -6.657 643 H ILE 86 HN ILE 86 82.932 -2.349 -8.911 644 HA ILE 86 HA ILE 86 84.690 -0.830 -9.132 645 HB ILE 86 HB ILE 86 82.663 0.706 -7.928 646 HG12 ILE 86 HG12 ILE 86 84.093 1.202 -9.945 647 HG13 ILE 86 HG11 ILE 86 83.893 2.579 -8.860 648 HG21 ILE 86 HG21 ILE 86 83.827 2.093 -6.295 649 HG22 ILE 86 HG22 ILE 86 85.306 1.156 -6.510 650 HG23 ILE 86 HG23 ILE 86 83.889 0.411 -5.770 651 HD11 ILE 86 HD11 ILE 86 86.070 2.249 -7.903 652 HD12 ILE 86 HD12 ILE 86 86.272 2.175 -9.653 653 HD13 ILE 86 HD13 ILE 86 86.252 0.689 -8.704 654 H1U RCY 87 H1U RCY 87 81.850 2.039 -1.763 655 H1S RCY 87 H1S RCY 87 82.217 -1.688 -4.872 656 HB1 RCY 87 HB1 RCY 87 84.739 -1.582 -3.189 657 HB2 RCY 87 HB2 RCY 87 85.571 -3.124 -3.000 658 HA RCY 87 HA RCY 87 86.464 -1.516 -4.808 659 HN1 RCY 87 HN1 RCY 87 83.798 -1.958 -5.908 Start of MODEL 45 1 HA MET 1 HA MET 1 72.611 -21.368 -14.531 2 HB2 MET 1 HB2 MET 1 71.457 -19.380 -16.495 3 HB3 MET 1 HB1 MET 1 71.591 -19.015 -14.774 4 HG2 MET 1 HG2 MET 1 73.950 -20.003 -16.382 5 HG3 MET 1 HG1 MET 1 73.559 -18.288 -16.257 6 HE1 MET 1 HE1 MET 1 76.163 -18.861 -15.613 7 HE2 MET 1 HE2 MET 1 76.099 -20.510 -14.995 8 HE3 MET 1 HE3 MET 1 76.676 -19.209 -13.957 9 H ASN 2 HN ASN 2 70.698 -19.992 -13.272 10 HA ASN 2 HA ASN 2 68.018 -21.000 -13.840 11 HB2 ASN 2 HB2 ASN 2 67.850 -22.231 -11.643 12 HB3 ASN 2 HB1 ASN 2 68.897 -23.015 -12.828 13 HD21 ASN 2 HD21 ASN 2 71.248 -22.873 -12.482 14 HD22 ASN 2 HD22 ASN 2 71.880 -22.462 -10.962 15 H LEU 3 HN LEU 3 68.417 -20.774 -10.526 16 HA LEU 3 HA LEU 3 68.052 -19.055 -8.969 17 HG LEU 3 HG LEU 3 69.488 -17.375 -8.280 18 HB2 LEU 3 HB2 LEU 3 69.748 -17.893 -10.695 19 HB3 LEU 3 HB1 LEU 3 68.325 -16.914 -11.044 20 HD11 LEU 3 HD11 LEU 3 70.041 -14.926 -8.461 21 HD12 LEU 3 HD12 LEU 3 69.594 -15.004 -10.165 22 HD13 LEU 3 HD13 LEU 3 70.960 -15.946 -9.569 23 HD21 LEU 3 HD21 LEU 3 67.161 -15.741 -9.324 24 HD22 LEU 3 HD22 LEU 3 67.886 -15.465 -7.740 25 HD23 LEU 3 HD23 LEU 3 67.122 -17.013 -8.103 26 H GLU 4 HN GLU 4 65.835 -19.664 -8.818 27 HA GLU 4 HA GLU 4 63.879 -18.504 -10.669 28 HB2 GLU 4 HB2 GLU 4 62.391 -19.492 -8.588 29 HB3 GLU 4 HB1 GLU 4 62.940 -20.464 -9.952 30 HG2 GLU 4 HG2 GLU 4 63.483 -21.476 -7.718 31 HG3 GLU 4 HG1 GLU 4 64.903 -21.186 -8.725 32 HA PRO 5 HA PRO 5 62.740 -14.658 -8.876 33 HB2 PRO 5 HB2 PRO 5 60.210 -16.013 -7.990 34 HB3 PRO 5 HB1 PRO 5 60.421 -14.439 -8.785 35 HG2 PRO 5 HG2 PRO 5 59.660 -16.634 -10.128 36 HG3 PRO 5 HG1 PRO 5 60.657 -15.368 -10.861 37 HD2 PRO 5 HD2 PRO 5 61.411 -18.119 -10.126 38 HD3 PRO 5 HD1 PRO 5 62.247 -16.974 -11.197 39 HA PRO 6 HA PRO 6 63.848 -15.547 -4.583 40 HB2 PRO 6 HB2 PRO 6 64.504 -13.024 -3.833 41 HB3 PRO 6 HB1 PRO 6 65.543 -13.996 -4.894 42 HG2 PRO 6 HG2 PRO 6 63.651 -11.811 -5.602 43 HG3 PRO 6 HG1 PRO 6 65.258 -12.170 -6.256 44 HD2 PRO 6 HD2 PRO 6 62.893 -12.862 -7.514 45 HD3 PRO 6 HD1 PRO 6 64.439 -13.700 -7.773 46 H LYS 7 HN LYS 7 62.917 -15.200 -2.487 47 HA LYS 7 HA LYS 7 60.142 -14.218 -2.559 48 HB2 LYS 7 HB2 LYS 7 61.732 -15.353 -0.236 49 HB3 LYS 7 HB1 LYS 7 59.982 -15.144 -0.306 50 HG2 LYS 7 HG2 LYS 7 59.744 -16.815 -1.986 51 HG3 LYS 7 HG1 LYS 7 61.476 -16.831 -2.319 52 HD2 LYS 7 HD2 LYS 7 61.858 -17.666 0.016 53 HD3 LYS 7 HD1 LYS 7 60.110 -17.789 0.212 54 HE2 LYS 7 HE2 LYS 7 59.937 -19.450 -1.493 55 HE3 LYS 7 HE1 LYS 7 61.582 -19.149 -2.053 56 HZ1 LYS 7 HZ1 LYS 7 61.112 -20.001 0.724 57 HZ2 LYS 7 HZ2 LYS 7 62.491 -20.211 -0.247 58 HZ3 LYS 7 HZ3 LYS 7 61.104 -21.155 -0.519 59 H ALA 8 HN ALA 8 59.445 -12.793 -0.620 60 HA ALA 8 HA ALA 8 61.434 -11.077 0.595 61 HB1 ALA 8 HB1 ALA 8 59.886 -10.058 -1.796 62 HB2 ALA 8 HB2 ALA 8 61.633 -10.048 -1.554 63 HB3 ALA 8 HB3 ALA 8 60.605 -8.979 -0.600 64 H GLU 9 HN GLU 9 59.024 -12.630 1.319 65 HA GLU 9 HA GLU 9 56.750 -11.024 1.794 66 HB2 GLU 9 HB2 GLU 9 57.967 -13.321 3.335 67 HB3 GLU 9 HB1 GLU 9 56.476 -12.542 3.866 68 HG2 GLU 9 HG2 GLU 9 56.825 -13.570 1.046 69 HG3 GLU 9 HG1 GLU 9 56.214 -14.594 2.345 70 H1U RCY 10 H1U RCY 10 58.787 -15.042 11.054 71 H1S RCY 10 H1S RCY 10 58.997 -11.360 8.132 72 HB1 RCY 10 HB1 RCY 10 56.999 -9.123 5.854 73 HB2 RCY 10 HB2 RCY 10 58.035 -8.959 7.272 74 HA RCY 10 HA RCY 10 59.394 -9.171 5.231 75 HN1 RCY 10 HN1 RCY 10 58.588 -11.925 4.653 76 H ARG 11 HN ARG 11 59.511 -9.621 8.102 77 HA ARG 11 HA ARG 11 60.839 -12.113 8.675 78 HE ARG 11 HE ARG 11 63.790 -11.268 6.070 79 HB2 ARG 11 HB2 ARG 11 62.447 -10.524 7.181 80 HB3 ARG 11 HB1 ARG 11 62.832 -9.897 8.781 81 HG2 ARG 11 HG2 ARG 11 64.361 -11.643 8.627 82 HG3 ARG 11 HG1 ARG 11 63.006 -12.463 9.403 83 HD2 ARG 11 HD2 ARG 11 63.881 -13.786 7.506 84 HD3 ARG 11 HD1 ARG 11 62.223 -13.265 7.210 85 HH11 ARG 11 HH21 ARG 11 63.490 -14.696 5.846 86 HH12 ARG 11 HH22 ARG 11 63.971 -14.762 4.183 87 HH21 ARG 11 HH11 ARG 11 64.420 -11.335 3.900 88 HH22 ARG 11 HH12 ARG 11 64.497 -12.860 3.082 89 H SER 12 HN SER 12 60.689 -8.647 9.481 90 HA SER 12 HA SER 12 59.645 -9.172 12.115 91 HG SER 12 HG SER 12 60.579 -8.889 14.006 92 HB2 SER 12 HB2 SER 12 62.110 -9.807 12.351 93 HB3 SER 12 HB1 SER 12 62.478 -8.106 12.076 94 H ALA 13 HN ALA 13 60.470 -6.825 13.405 95 HA ALA 13 HA ALA 13 60.028 -4.520 13.442 96 HB1 ALA 13 HB1 ALA 13 60.838 -3.253 11.654 97 HB2 ALA 13 HB2 ALA 13 60.309 -4.427 10.449 98 HB3 ALA 13 HB3 ALA 13 61.727 -4.761 11.443 99 H THR 14 HN THR 14 58.025 -3.648 13.658 100 HA THR 14 HA THR 14 56.006 -4.143 11.514 101 HB THR 14 HB THR 14 54.385 -4.931 13.000 102 HG1 THR 14 HG1 THR 14 55.251 -4.687 15.410 103 HG21 THR 14 HG21 THR 14 55.360 -6.762 14.176 104 HG22 THR 14 HG22 THR 14 56.881 -5.899 14.402 105 HG23 THR 14 HG23 THR 14 56.419 -6.465 12.797 106 H ARG 15 HN ARG 15 57.621 -1.978 13.497 107 HA ARG 15 HA ARG 15 55.972 0.234 12.599 108 HE ARG 15 HE ARG 15 54.202 0.987 12.161 109 HB2 ARG 15 HB2 ARG 15 54.549 -0.445 14.445 110 HB3 ARG 15 HB1 ARG 15 55.934 -0.541 15.531 111 HG2 ARG 15 HG2 ARG 15 54.617 1.572 15.811 112 HG3 ARG 15 HG1 ARG 15 56.298 1.861 15.360 113 HD2 ARG 15 HD2 ARG 15 54.405 3.144 14.084 114 HD3 ARG 15 HD1 ARG 15 55.744 2.456 13.164 115 HH11 ARG 15 HH21 ARG 15 53.006 2.280 15.125 116 HH12 ARG 15 HH22 ARG 15 51.439 1.561 14.960 117 HH21 ARG 15 HH11 ARG 15 52.162 0.042 11.928 118 HH22 ARG 15 HH12 ARG 15 50.961 0.294 13.150 119 H VAL 16 HN VAL 16 57.907 1.108 11.832 120 HA VAL 16 HA VAL 16 59.595 2.397 13.866 121 HB VAL 16 HB VAL 16 61.675 1.487 12.579 122 HG11 VAL 16 HG11 VAL 16 60.888 0.930 14.952 123 HG12 VAL 16 HG12 VAL 16 61.902 -0.281 14.166 124 HG13 VAL 16 HG13 VAL 16 60.157 -0.518 14.259 125 HG21 VAL 16 HG21 VAL 16 60.153 0.424 10.818 126 HG22 VAL 16 HG22 VAL 16 59.747 -0.783 12.039 127 HG23 VAL 16 HG23 VAL 16 61.412 -0.621 11.478 128 H MET 17 HN MET 17 58.090 2.313 10.876 129 HA MET 17 HA MET 17 59.896 4.319 9.636 130 HB2 MET 17 HB2 MET 17 57.405 2.927 8.603 131 HB3 MET 17 HB1 MET 17 58.361 4.086 7.678 132 HG2 MET 17 HG2 MET 17 59.518 1.562 8.886 133 HG3 MET 17 HG1 MET 17 58.933 1.665 7.226 134 HE1 MET 17 HE1 MET 17 61.476 0.648 7.950 135 HE2 MET 17 HE2 MET 17 62.234 1.714 9.131 136 HE3 MET 17 HE3 MET 17 62.908 1.587 7.508 137 H GLY 18 HN GLY 18 57.860 5.727 8.200 138 HA2 GLY 18 HA2 GLY 18 56.100 6.914 10.258 139 HA3 GLY 18 HA1 GLY 18 57.320 7.981 9.560 140 H GLY 19 HN GLY 19 54.751 8.733 9.150 141 HA2 GLY 19 HA2 GLY 19 53.909 7.686 6.503 142 HA3 GLY 19 HA1 GLY 19 52.952 8.747 7.538 143 HA PRO 20 HA PRO 20 54.121 12.591 5.758 144 HB2 PRO 20 HB2 PRO 20 56.147 13.010 7.935 145 HB3 PRO 20 HB1 PRO 20 54.911 14.125 7.318 146 HG2 PRO 20 HG2 PRO 20 54.587 12.797 9.609 147 HG3 PRO 20 HG1 PRO 20 53.228 13.140 8.526 148 HD2 PRO 20 HD2 PRO 20 54.560 10.551 9.089 149 HD3 PRO 20 HD1 PRO 20 52.922 10.868 8.477 150 H1U RCY 21 H1U RCY 21 56.844 3.955 1.314 151 H1S RCY 21 H1S RCY 21 59.913 7.710 1.604 152 HB1 RCY 21 HB1 RCY 21 56.687 9.353 3.203 153 HB2 RCY 21 HB2 RCY 21 58.023 9.561 4.334 154 HA RCY 21 HA RCY 21 58.124 11.911 3.938 155 HN1 RCY 21 HN1 RCY 21 55.182 11.424 3.964 156 H THR 22 HN THR 22 58.387 13.382 2.326 157 HA THR 22 HA THR 22 57.083 12.847 -0.295 158 HB THR 22 HB THR 22 57.021 15.533 1.110 159 HG1 THR 22 HG1 THR 22 54.640 14.607 0.427 160 HG21 THR 22 HG21 THR 22 55.990 14.600 -1.582 161 HG22 THR 22 HG22 THR 22 57.255 15.795 -1.292 162 HG23 THR 22 HG23 THR 22 55.586 16.152 -0.848 163 HA PRO 23 HA PRO 23 61.582 13.628 -0.897 164 HB2 PRO 23 HB2 PRO 23 60.769 12.758 -3.633 165 HB3 PRO 23 HB1 PRO 23 62.124 12.205 -2.630 166 HG2 PRO 23 HG2 PRO 23 59.944 10.712 -2.988 167 HG3 PRO 23 HG1 PRO 23 60.818 10.731 -1.447 168 HD2 PRO 23 HD2 PRO 23 58.206 12.011 -2.146 169 HD3 PRO 23 HD1 PRO 23 58.753 11.333 -0.595 170 H ARG 24 HN ARG 24 62.716 15.210 -2.229 171 HA ARG 24 HA ARG 24 61.497 16.770 -4.271 172 HE ARG 24 HE ARG 24 56.919 19.234 -2.762 173 HB2 ARG 24 HB2 ARG 24 60.605 17.432 -1.625 174 HB3 ARG 24 HB1 ARG 24 61.604 18.761 -2.209 175 HG2 ARG 24 HG2 ARG 24 60.268 18.778 -4.324 176 HG3 ARG 24 HG1 ARG 24 59.217 17.543 -3.630 177 HD2 ARG 24 HD2 ARG 24 58.984 19.218 -1.636 178 HD3 ARG 24 HD1 ARG 24 59.558 20.414 -2.798 179 HH11 ARG 24 HH21 ARG 24 59.479 20.381 -4.766 180 HH12 ARG 24 HH22 ARG 24 58.437 20.804 -6.083 181 HH21 ARG 24 HH11 ARG 24 55.543 19.780 -4.471 182 HH22 ARG 24 HH12 ARG 24 56.209 20.464 -5.916 183 H LYS 25 HN LYS 25 63.484 16.888 -5.261 184 HA LYS 25 HA LYS 25 65.599 18.440 -3.831 185 HB2 LYS 25 HB2 LYS 25 67.176 16.839 -5.276 186 HB3 LYS 25 HB1 LYS 25 66.626 16.371 -3.669 187 HG2 LYS 25 HG2 LYS 25 64.832 15.701 -5.955 188 HG3 LYS 25 HG1 LYS 25 66.319 14.764 -5.802 189 HD2 LYS 25 HD2 LYS 25 64.641 15.211 -3.359 190 HD3 LYS 25 HD1 LYS 25 64.127 13.999 -4.533 191 HE2 LYS 25 HE2 LYS 25 66.230 12.821 -4.337 192 HE3 LYS 25 HE1 LYS 25 66.908 14.103 -3.334 193 HZ1 LYS 25 HZ1 LYS 25 64.896 12.076 -2.653 194 HZ2 LYS 25 HZ2 LYS 25 64.851 13.577 -1.858 195 HZ3 LYS 25 HZ3 LYS 25 66.240 12.603 -1.761 196 H GLY 26 HN GLY 26 65.356 16.918 -7.060 197 HA2 GLY 26 HA2 GLY 26 64.600 19.013 -8.661 198 HA3 GLY 26 HA1 GLY 26 66.287 19.394 -8.308 199 HA PRO 27 HA PRO 27 65.828 16.680 -12.196 200 HB2 PRO 27 HB2 PRO 27 68.186 18.453 -12.730 201 HB3 PRO 27 HB1 PRO 27 66.918 17.901 -13.843 202 HG2 PRO 27 HG2 PRO 27 66.913 20.366 -12.834 203 HG3 PRO 27 HG1 PRO 27 65.410 19.472 -13.117 204 HD2 PRO 27 HD2 PRO 27 66.744 20.128 -10.541 205 HD3 PRO 27 HD1 PRO 27 65.028 19.811 -10.875 206 HA PRO 28 HA PRO 28 68.677 13.743 -10.311 207 HB2 PRO 28 HB2 PRO 28 68.961 12.933 -13.187 208 HB3 PRO 28 HB1 PRO 28 68.707 11.919 -11.753 209 HG2 PRO 28 HG2 PRO 28 66.713 12.511 -13.430 210 HG3 PRO 28 HG1 PRO 28 66.452 12.345 -11.687 211 HD2 PRO 28 HD2 PRO 28 66.420 14.797 -13.354 212 HD3 PRO 28 HD1 PRO 28 65.664 14.498 -11.774 213 H LYS 29 HN LYS 29 70.798 14.100 -9.812 214 HA LYS 29 HA LYS 29 72.669 14.994 -11.942 215 HB2 LYS 29 HB2 LYS 29 71.984 16.482 -9.412 216 HB3 LYS 29 HB1 LYS 29 73.603 16.618 -10.093 217 HG2 LYS 29 HG2 LYS 29 71.197 17.004 -11.857 218 HG3 LYS 29 HG1 LYS 29 71.768 18.329 -10.841 219 HD2 LYS 29 HD2 LYS 29 73.833 16.881 -12.419 220 HD3 LYS 29 HD1 LYS 29 72.717 17.901 -13.328 221 HE2 LYS 29 HE2 LYS 29 74.663 19.222 -12.666 222 HE3 LYS 29 HE1 LYS 29 73.242 19.790 -11.789 223 HZ1 LYS 29 HZ1 LYS 29 75.370 19.391 -10.473 224 HZ2 LYS 29 HZ2 LYS 29 75.031 17.736 -10.648 225 HZ3 LYS 29 HZ3 LYS 29 73.930 18.751 -9.844 226 H1U RCY 30 H1U RCY 30 80.539 14.161 -10.476 227 H1S RCY 30 H1S RCY 30 77.214 15.701 -8.028 228 HB1 RCY 30 HB1 RCY 30 75.452 12.381 -7.469 229 HB2 RCY 30 HB2 RCY 30 74.044 13.404 -7.746 230 HA RCY 30 HA RCY 30 76.560 14.158 -9.159 231 HN1 RCY 30 HN1 RCY 30 74.859 15.421 -10.166 232 H LYS 31 HN LYS 31 76.472 13.255 -11.574 233 HA LYS 31 HA LYS 31 75.705 10.401 -11.652 234 HB2 LYS 31 HB2 LYS 31 76.745 10.661 -14.037 235 HB3 LYS 31 HB1 LYS 31 75.189 11.416 -13.698 236 HG2 LYS 31 HG2 LYS 31 77.526 13.090 -13.022 237 HG3 LYS 31 HG1 LYS 31 77.348 12.746 -14.743 238 HD2 LYS 31 HD2 LYS 31 74.972 13.496 -14.608 239 HD3 LYS 31 HD1 LYS 31 75.237 13.939 -12.922 240 HE2 LYS 31 HE2 LYS 31 76.685 15.692 -13.472 241 HE3 LYS 31 HE1 LYS 31 77.064 15.013 -15.055 242 HZ1 LYS 31 HZ1 LYS 31 74.836 15.522 -15.790 243 HZ2 LYS 31 HZ2 LYS 31 75.583 16.931 -15.205 244 HZ3 LYS 31 HZ3 LYS 31 74.427 16.124 -14.257 245 H GLN 32 HN GLN 32 78.551 11.616 -13.248 246 HA GLN 32 HA GLN 32 80.250 9.499 -12.702 247 HB2 GLN 32 HB2 GLN 32 81.293 12.331 -12.615 248 HB3 GLN 32 HB1 GLN 32 82.061 10.897 -13.298 249 HG2 GLN 32 HG2 GLN 32 80.157 10.805 -14.973 250 HG3 GLN 32 HG1 GLN 32 79.662 12.392 -14.384 251 HE21 GLN 32 HE21 GLN 32 81.861 10.748 -16.492 252 HE22 GLN 32 HE22 GLN 32 82.778 12.103 -16.944 253 H ARG 33 HN ARG 33 81.968 9.201 -11.103 254 HA ARG 33 HA ARG 33 81.582 10.693 -8.547 255 HE ARG 33 HE ARG 33 78.506 6.747 -8.866 256 HB2 ARG 33 HB2 ARG 33 81.905 8.391 -7.406 257 HB3 ARG 33 HB1 ARG 33 80.320 8.741 -8.094 258 HG2 ARG 33 HG2 ARG 33 82.341 7.460 -9.880 259 HG3 ARG 33 HG1 ARG 33 81.602 6.455 -8.633 260 HD2 ARG 33 HD2 ARG 33 79.787 8.190 -10.245 261 HD3 ARG 33 HD1 ARG 33 80.470 6.772 -11.041 262 HH11 ARG 33 HH21 ARG 33 80.970 5.091 -10.617 263 HH12 ARG 33 HH22 ARG 33 80.391 3.512 -10.201 264 HH21 ARG 33 HH11 ARG 33 77.735 4.696 -8.312 265 HH22 ARG 33 HH12 ARG 33 78.559 3.289 -8.896 266 H GLN 34 HN GLN 34 83.635 11.549 -9.785 267 HA GLN 34 HA GLN 34 85.992 9.796 -9.333 268 HB2 GLN 34 HB2 GLN 34 86.018 12.577 -10.518 269 HB3 GLN 34 HB1 GLN 34 87.205 11.290 -10.726 270 HG2 GLN 34 HG2 GLN 34 86.065 11.003 -12.702 271 HG3 GLN 34 HG1 GLN 34 85.036 10.008 -11.671 272 HE21 GLN 34 HE21 GLN 34 84.628 12.102 -14.070 273 HE22 GLN 34 HE22 GLN 34 83.262 12.961 -13.543 274 H THR 35 HN THR 35 86.748 9.903 -7.266 275 HA THR 35 HA THR 35 87.452 12.548 -6.168 276 HB THR 35 HB THR 35 86.354 11.891 -3.945 277 HG1 THR 35 HG1 THR 35 84.614 10.438 -4.186 278 HG21 THR 35 HG21 THR 35 85.495 13.623 -5.571 279 HG22 THR 35 HG22 THR 35 84.248 12.877 -4.572 280 HG23 THR 35 HG23 THR 35 84.452 12.374 -6.250 281 H ARG 36 HN ARG 36 87.023 9.571 -4.321 282 HA ARG 36 HA ARG 36 89.986 9.467 -3.959 283 HE ARG 36 HE ARG 36 90.906 6.087 -0.225 284 HB2 ARG 36 HB2 ARG 36 88.764 9.660 -1.875 285 HB3 ARG 36 HB1 ARG 36 87.701 8.326 -2.324 286 HG2 ARG 36 HG2 ARG 36 89.393 6.718 -2.058 287 HG3 ARG 36 HG1 ARG 36 90.682 7.915 -2.194 288 HD2 ARG 36 HD2 ARG 36 90.075 8.865 -0.024 289 HD3 ARG 36 HD1 ARG 36 88.714 7.751 0.107 290 HH11 ARG 36 HH21 ARG 36 90.016 8.676 1.870 291 HH12 ARG 36 HH22 ARG 36 90.925 8.075 3.217 292 HH21 ARG 36 HH11 ARG 36 92.097 5.287 1.522 293 HH22 ARG 36 HH12 ARG 36 92.102 6.156 3.019 294 H GLN 37 HN GLN 37 87.628 8.049 -5.811 295 HA GLN 37 HA GLN 37 87.567 6.066 -7.062 296 HB2 GLN 37 HB2 GLN 37 90.430 5.596 -6.221 297 HB3 GLN 37 HB1 GLN 37 89.641 5.143 -7.732 298 HG2 GLN 37 HG2 GLN 37 89.314 7.657 -8.131 299 HG3 GLN 37 HG1 GLN 37 90.464 7.903 -6.816 300 HE21 GLN 37 HE21 GLN 37 91.423 5.036 -8.136 301 HE22 GLN 37 HE22 GLN 37 92.541 5.599 -9.283 302 H1U RCY 38 H1U RCY 38 81.269 4.319 -8.271 303 H1S RCY 38 H1S RCY 38 84.936 4.724 -6.598 304 HB1 RCY 38 HB1 RCY 38 86.852 3.438 -2.895 305 HB2 RCY 38 HB2 RCY 38 85.640 2.321 -3.523 306 HA RCY 38 HA RCY 38 88.206 2.371 -4.409 307 HN1 RCY 38 HN1 RCY 38 87.320 3.766 -6.733 308 H LYS 39 HN LYS 39 87.255 2.311 -7.390 309 HA LYS 39 HA LYS 39 85.145 0.512 -7.750 310 HB2 LYS 39 HB2 LYS 39 86.554 1.643 -9.550 311 HB3 LYS 39 HB1 LYS 39 87.743 0.367 -9.298 312 HG2 LYS 39 HG2 LYS 39 86.334 -0.329 -11.127 313 HG3 LYS 39 HG1 LYS 39 85.896 -1.312 -9.729 314 HD2 LYS 39 HD2 LYS 39 84.367 1.147 -9.752 315 HD3 LYS 39 HD1 LYS 39 84.170 0.284 -11.278 316 HE2 LYS 39 HE2 LYS 39 83.972 -1.172 -8.646 317 HE3 LYS 39 HE1 LYS 39 82.577 -0.328 -9.320 318 HZ1 LYS 39 HZ1 LYS 39 83.370 -2.854 -9.947 319 HZ2 LYS 39 HZ2 LYS 39 83.942 -1.935 -11.256 320 HZ3 LYS 39 HZ3 LYS 39 82.293 -1.901 -10.847 321 H SER 40 HN SER 40 88.192 -0.052 -6.242 322 HA SER 40 HA SER 40 87.482 -2.939 -5.969 323 HG SER 40 HG SER 40 88.582 -3.806 -7.917 324 HB2 SER 40 HB2 SER 40 90.187 -1.806 -6.724 325 HB3 SER 40 HB1 SER 40 89.949 -3.456 -6.157 326 H LYS 41 HN LYS 41 87.424 -3.467 -3.849 327 HA LYS 41 HA LYS 41 89.193 -1.973 -1.956 328 HB2 LYS 41 HB2 LYS 41 87.120 -2.457 -0.343 329 HB3 LYS 41 HB1 LYS 41 87.162 -1.019 -1.364 330 HG2 LYS 41 HG2 LYS 41 85.726 -1.990 -2.984 331 HG3 LYS 41 HG1 LYS 41 85.955 -3.613 -2.331 332 HD2 LYS 41 HD2 LYS 41 84.834 -2.865 -0.219 333 HD3 LYS 41 HD1 LYS 41 84.497 -1.316 -0.993 334 HE2 LYS 41 HE2 LYS 41 83.372 -4.030 -1.625 335 HE3 LYS 41 HE1 LYS 41 82.525 -2.496 -1.417 336 HZ1 LYS 41 HZ1 LYS 41 83.950 -1.837 -3.484 337 HZ2 LYS 41 HZ2 LYS 41 82.499 -2.701 -3.675 338 HZ3 LYS 41 HZ3 LYS 41 83.990 -3.513 -3.746 339 HA PRO 42 HA PRO 42 90.262 -6.046 -0.586 340 HB2 PRO 42 HB2 PRO 42 91.100 -5.566 1.955 341 HB3 PRO 42 HB1 PRO 42 92.006 -5.009 0.534 342 HG2 PRO 42 HG2 PRO 42 90.171 -3.482 2.313 343 HG3 PRO 42 HG1 PRO 42 91.714 -2.992 1.593 344 HD2 PRO 42 HD2 PRO 42 89.262 -2.255 0.576 345 HD3 PRO 42 HD1 PRO 42 90.738 -2.379 -0.407 346 HA PRO 43 HA PRO 43 86.765 -7.680 1.658 347 HB2 PRO 43 HB2 PRO 43 87.694 -10.148 2.298 348 HB3 PRO 43 HB1 PRO 43 87.310 -9.687 0.627 349 HG2 PRO 43 HG2 PRO 43 89.961 -9.838 1.975 350 HG3 PRO 43 HG1 PRO 43 89.497 -10.332 0.339 351 HD2 PRO 43 HD2 PRO 43 90.779 -7.959 0.901 352 HD3 PRO 43 HD1 PRO 43 89.730 -8.199 -0.514 353 H LYS 44 HN LYS 44 86.077 -7.389 3.750 354 HA LYS 44 HA LYS 44 86.164 -7.045 6.067 355 HB2 LYS 44 HB2 LYS 44 87.960 -9.370 5.538 356 HB3 LYS 44 HB1 LYS 44 88.088 -8.619 7.126 357 HG2 LYS 44 HG2 LYS 44 85.370 -9.247 6.013 358 HG3 LYS 44 HG1 LYS 44 86.330 -10.540 6.734 359 HD2 LYS 44 HD2 LYS 44 85.894 -7.920 8.168 360 HD3 LYS 44 HD1 LYS 44 84.736 -9.244 8.298 361 HE2 LYS 44 HE2 LYS 44 86.090 -9.827 10.059 362 HE3 LYS 44 HE1 LYS 44 86.999 -10.620 8.772 363 HZ1 LYS 44 HZ1 LYS 44 87.833 -8.548 10.455 364 HZ2 LYS 44 HZ2 LYS 44 87.773 -7.935 8.872 365 HZ3 LYS 44 HZ3 LYS 44 88.707 -9.311 9.217 366 H LYS 45 HN LYS 45 86.932 -5.147 6.839 367 HA LYS 45 HA LYS 45 89.732 -4.751 7.409 368 HB2 LYS 45 HB2 LYS 45 89.551 -4.377 4.865 369 HB3 LYS 45 HB1 LYS 45 88.641 -2.921 5.264 370 HG2 LYS 45 HG2 LYS 45 90.782 -2.039 5.195 371 HG3 LYS 45 HG1 LYS 45 90.701 -2.499 6.896 372 HD2 LYS 45 HD2 LYS 45 91.684 -4.748 6.201 373 HD3 LYS 45 HD1 LYS 45 92.011 -4.015 4.630 374 HE2 LYS 45 HE2 LYS 45 93.181 -2.136 5.962 375 HE3 LYS 45 HE1 LYS 45 93.150 -3.260 7.320 376 HZ1 LYS 45 HZ1 LYS 45 94.574 -4.697 6.290 377 HZ2 LYS 45 HZ2 LYS 45 95.152 -3.223 5.674 378 HZ3 LYS 45 HZ3 LYS 45 94.140 -4.204 4.726 379 H GLY 46 HN GLY 46 86.648 -3.085 6.728 380 HA2 GLY 46 HA2 GLY 46 87.244 -1.109 8.847 381 HA3 GLY 46 HA1 GLY 46 85.859 -1.065 7.756 382 H VAL 47 HN VAL 47 86.022 -0.939 10.760 383 HA VAL 47 HA VAL 47 83.868 -2.900 11.266 384 HB VAL 47 HB VAL 47 84.954 -3.715 13.338 385 HG11 VAL 47 HG11 VAL 47 85.249 -4.838 11.059 386 HG12 VAL 47 HG12 VAL 47 86.459 -5.237 12.278 387 HG13 VAL 47 HG13 VAL 47 86.841 -4.081 11.002 388 HG21 VAL 47 HG21 VAL 47 87.472 -3.247 13.493 389 HG22 VAL 47 HG22 VAL 47 86.404 -1.912 13.926 390 HG23 VAL 47 HG23 VAL 47 87.192 -1.936 12.348 391 H GLN 48 HN GLN 48 82.314 -1.943 12.520 392 HA GLN 48 HA GLN 48 81.251 -0.267 13.776 393 HB2 GLN 48 HB2 GLN 48 82.907 -1.271 15.461 394 HB3 GLN 48 HB1 GLN 48 83.937 0.117 15.112 395 HG2 GLN 48 HG2 GLN 48 82.284 1.660 15.894 396 HG3 GLN 48 HG1 GLN 48 81.044 0.407 15.948 397 HE21 GLN 48 HE21 GLN 48 81.923 2.056 18.238 398 HE22 GLN 48 HE22 GLN 48 82.552 0.982 19.392 399 H GLY 49 HN GLY 49 82.002 0.636 11.322 400 HA2 GLY 49 HA2 GLY 49 81.861 3.331 11.273 401 HA3 GLY 49 HA1 GLY 49 83.575 3.112 11.635 402 H1U RCY 50 H1U RCY 50 84.753 4.335 1.708 403 H1S RCY 50 H1S RCY 50 81.458 3.927 5.144 404 HB1 RCY 50 HB1 RCY 50 84.563 3.504 6.016 405 HB2 RCY 50 HB2 RCY 50 84.852 4.472 7.461 406 HA RCY 50 HA RCY 50 83.972 1.567 7.450 407 HN1 RCY 50 HN1 RCY 50 84.912 2.881 9.910 408 H GLY 51 HN GLY 51 86.360 3.490 6.420 409 HA2 GLY 51 HA2 GLY 51 88.644 2.165 7.706 410 HA3 GLY 51 HA1 GLY 51 88.368 1.694 6.027 411 H ASP 52 HN ASP 52 87.578 4.909 7.148 412 HA ASP 52 HA ASP 52 90.096 6.021 6.059 413 HB2 ASP 52 HB2 ASP 52 88.658 5.878 4.084 414 HB3 ASP 52 HB1 ASP 52 87.354 6.695 4.948 415 H ASP 53 HN ASP 53 86.812 7.073 7.065 416 HA ASP 53 HA ASP 53 87.633 8.271 9.501 417 HB2 ASP 53 HB2 ASP 53 88.095 9.889 7.064 418 HB3 ASP 53 HB1 ASP 53 87.225 10.729 8.346 419 H ILE 54 HN ILE 54 85.587 7.391 10.079 420 HA ILE 54 HA ILE 54 83.121 7.690 8.848 421 HB ILE 54 HB ILE 54 83.350 8.123 11.819 422 HG12 ILE 54 HG12 ILE 54 83.389 5.441 11.676 423 HG13 ILE 54 HG11 ILE 54 84.287 5.797 10.200 424 HG21 ILE 54 HG21 ILE 54 81.390 6.615 11.813 425 HG22 ILE 54 HG22 ILE 54 81.518 6.462 10.060 426 HG23 ILE 54 HG23 ILE 54 81.116 8.020 10.783 427 HD11 ILE 54 HD11 ILE 54 85.566 7.492 11.803 428 HD12 ILE 54 HD12 ILE 54 86.028 5.792 11.725 429 HD13 ILE 54 HD13 ILE 54 85.012 6.370 13.046 430 HA PRO 55 HA PRO 55 82.957 12.230 9.116 431 HB2 PRO 55 HB2 PRO 55 81.269 12.642 7.048 432 HB3 PRO 55 HB1 PRO 55 82.972 12.208 6.793 433 HG2 PRO 55 HG2 PRO 55 80.545 10.506 6.595 434 HG3 PRO 55 HG1 PRO 55 82.018 10.494 5.613 435 HD2 PRO 55 HD2 PRO 55 81.470 8.719 7.702 436 HD3 PRO 55 HD1 PRO 55 83.084 9.040 7.031 437 H GLY 56 HN GLY 56 80.169 10.048 8.940 438 HA2 GLY 56 HA2 GLY 56 78.228 12.003 9.818 439 HA3 GLY 56 HA1 GLY 56 77.996 10.255 9.817 440 H MET 57 HN MET 57 79.571 9.169 11.562 441 HA MET 57 HA MET 57 80.150 8.944 13.827 442 HB2 MET 57 HB2 MET 57 80.980 11.426 13.327 443 HB3 MET 57 HB1 MET 57 79.616 11.848 14.361 444 HG2 MET 57 HG2 MET 57 80.484 10.416 16.145 445 HG3 MET 57 HG1 MET 57 81.812 9.894 15.109 446 HE1 MET 57 HE1 MET 57 84.506 12.212 15.689 447 HE2 MET 57 HE2 MET 57 83.798 11.136 14.486 448 HE3 MET 57 HE3 MET 57 83.928 10.609 16.162 449 H GLU 58 HN GLU 58 77.232 9.840 12.600 450 HA GLU 58 HA GLU 58 75.869 9.258 15.187 451 HB2 GLU 58 HB2 GLU 58 74.129 10.964 14.589 452 HB3 GLU 58 HB1 GLU 58 75.706 11.673 14.934 453 HG2 GLU 58 HG2 GLU 58 76.117 11.470 12.377 454 HG3 GLU 58 HG1 GLU 58 74.367 11.281 12.261 455 H GLY 59 HN GLY 59 74.517 7.557 14.887 456 HA2 GLY 59 HA2 GLY 59 73.050 6.062 13.818 457 HA3 GLY 59 HA1 GLY 59 72.767 7.316 12.608 458 H1U RCY 60 H1U RCY 60 72.644 7.298 6.503 459 H1S RCY 60 H1S RCY 60 75.596 6.574 9.528 460 HB1 RCY 60 HB1 RCY 60 77.969 6.029 9.910 461 HB2 RCY 60 HB2 RCY 60 78.498 6.403 11.549 462 HA RCY 60 HA RCY 60 76.082 4.893 10.632 463 HN1 RCY 60 HN1 RCY 60 76.049 6.527 13.142 464 H GLY 61 HN GLY 61 76.017 4.230 13.662 465 HA2 GLY 61 HA2 GLY 61 78.055 2.102 13.472 466 HA3 GLY 61 HA1 GLY 61 78.233 3.226 14.820 467 H THR 62 HN THR 62 75.285 3.563 15.062 468 HA THR 62 HA THR 62 74.813 1.166 16.716 469 HB THR 62 HB THR 62 73.192 2.420 17.820 470 HG1 THR 62 HG1 THR 62 71.954 3.942 16.817 471 HG21 THR 62 HG21 THR 62 74.104 4.602 18.199 472 HG22 THR 62 HG22 THR 62 74.825 4.650 16.590 473 HG23 THR 62 HG23 THR 62 75.469 3.554 17.813 474 H ASP 63 HN ASP 63 72.803 2.969 14.351 475 HA ASP 63 HA ASP 63 70.949 0.852 13.938 476 HB2 ASP 63 HB2 ASP 63 70.283 2.065 11.915 477 HB3 ASP 63 HB1 ASP 63 70.559 3.205 13.233 478 H ILE 64 HN ILE 64 74.096 1.501 12.494 479 HA ILE 64 HA ILE 64 73.739 -0.637 10.495 480 HB ILE 64 HB ILE 64 75.013 1.276 9.771 481 HG12 ILE 64 HG12 ILE 64 77.047 -0.876 10.396 482 HG13 ILE 64 HG11 ILE 64 75.795 -1.089 9.171 483 HG21 ILE 64 HG21 ILE 64 76.718 0.726 12.219 484 HG22 ILE 64 HG22 ILE 64 75.696 2.137 11.946 485 HG23 ILE 64 HG23 ILE 64 77.134 1.884 10.956 486 HD11 ILE 64 HD11 ILE 64 77.877 1.116 9.224 487 HD12 ILE 64 HD12 ILE 64 76.592 0.965 8.026 488 HD13 ILE 64 HD13 ILE 64 77.854 -0.264 8.125 489 H THR 65 HN THR 65 75.076 -0.200 13.659 490 HA THR 65 HA THR 65 76.604 -1.569 14.886 491 HB THR 65 HB THR 65 74.135 -2.348 15.159 492 HG1 THR 65 HG1 THR 65 75.788 -4.485 15.723 493 HG21 THR 65 HG21 THR 65 74.455 -3.629 12.865 494 HG22 THR 65 HG22 THR 65 73.455 -4.319 14.143 495 HG23 THR 65 HG23 THR 65 75.107 -4.891 13.911 496 H VAL 66 HN VAL 66 77.336 -1.391 12.085 497 HA VAL 66 HA VAL 66 78.867 -2.410 10.636 498 HB VAL 66 HB VAL 66 79.158 -4.734 12.525 499 HG11 VAL 66 HG11 VAL 66 81.205 -3.086 11.018 500 HG12 VAL 66 HG12 VAL 66 80.424 -4.518 10.347 501 HG13 VAL 66 HG13 VAL 66 81.450 -4.660 11.775 502 HG21 VAL 66 HG21 VAL 66 79.338 -3.153 14.196 503 HG22 VAL 66 HG22 VAL 66 79.764 -1.862 13.072 504 HG23 VAL 66 HG23 VAL 66 80.977 -3.049 13.552 505 H ILE 67 HN ILE 67 76.188 -4.124 11.984 506 HA ILE 67 HA ILE 67 75.893 -5.621 9.426 507 HB ILE 67 HB ILE 67 75.625 -6.783 12.213 508 HG12 ILE 67 HG12 ILE 67 77.304 -7.698 9.863 509 HG13 ILE 67 HG11 ILE 67 77.918 -6.632 11.127 510 HG21 ILE 67 HG21 ILE 67 75.065 -8.893 10.853 511 HG22 ILE 67 HG22 ILE 67 74.748 -7.800 9.506 512 HG23 ILE 67 HG23 ILE 67 73.795 -7.676 10.985 513 HD11 ILE 67 HD11 ILE 67 77.606 -8.293 12.815 514 HD12 ILE 67 HD12 ILE 67 78.369 -9.125 11.460 515 HD13 ILE 67 HD13 ILE 67 76.637 -9.301 11.741 516 H1U RCY 68 H1U RCY 68 71.914 2.352 4.569 517 H1S RCY 68 H1S RCY 68 73.430 -2.039 5.816 518 HB1 RCY 68 HB1 RCY 68 72.121 -1.833 9.960 519 HB2 RCY 68 HB2 RCY 68 71.230 -2.382 8.543 520 HA RCY 68 HA RCY 68 71.864 -4.005 10.633 521 HN1 RCY 68 HN1 RCY 68 74.225 -4.146 8.820 522 HA PRO 69 HA PRO 69 69.283 -6.768 8.390 523 HB2 PRO 69 HB2 PRO 69 67.247 -4.939 7.555 524 HB3 PRO 69 HB1 PRO 69 67.226 -5.992 8.979 525 HG2 PRO 69 HG2 PRO 69 67.849 -3.127 8.770 526 HG3 PRO 69 HG1 PRO 69 67.235 -4.058 10.145 527 HD2 PRO 69 HD2 PRO 69 69.793 -3.132 10.044 528 HD3 PRO 69 HD1 PRO 69 69.364 -4.648 10.871 529 H TRP 70 HN TRP 70 69.892 -3.645 6.816 530 HA TRP 70 HA TRP 70 69.417 -4.718 4.133 531 HD1 TRP 70 HD1 TRP 70 68.155 -2.715 2.252 532 HE1 TRP 70 HE1 TRP 70 65.806 -1.854 2.873 533 HE3 TRP 70 HE3 TRP 70 68.901 -1.591 7.177 534 HZ2 TRP 70 HZ2 TRP 70 64.424 -0.823 5.160 535 HZ3 TRP 70 HZ3 TRP 70 67.057 -0.674 8.550 536 HH2 TRP 70 HH2 TRP 70 64.822 -0.288 7.552 537 HB2 TRP 70 HB2 TRP 70 70.509 -2.106 5.197 538 HB3 TRP 70 HB1 TRP 70 70.510 -2.478 3.474 539 H GLU 71 HN GLU 71 71.799 -5.248 6.322 540 HA GLU 71 HA GLU 71 74.106 -5.023 4.522 541 HB2 GLU 71 HB2 GLU 71 73.986 -4.858 7.173 542 HB3 GLU 71 HB1 GLU 71 74.171 -6.607 7.075 543 HG2 GLU 71 HG2 GLU 71 76.061 -5.636 5.266 544 HG3 GLU 71 HG1 GLU 71 76.157 -4.512 6.622 545 H ALA 72 HN ALA 72 71.984 -7.564 5.782 546 HA ALA 72 HA ALA 72 73.505 -9.715 4.533 547 HB1 ALA 72 HB1 ALA 72 71.983 -9.946 6.571 548 HB2 ALA 72 HB2 ALA 72 71.765 -11.163 5.314 549 HB3 ALA 72 HB3 ALA 72 70.624 -9.825 5.454 550 H1U RCY 73 H1U RCY 73 71.947 0.030 0.034 551 H1S RCY 73 H1S RCY 73 72.368 -4.351 -1.743 552 HB1 RCY 73 HB1 RCY 73 71.140 -5.971 1.682 553 HB2 RCY 73 HB2 RCY 73 70.115 -6.457 0.333 554 HA RCY 73 HA RCY 73 70.270 -8.541 1.235 555 HN1 RCY 73 HN1 RCY 73 72.254 -7.338 2.966 556 H ASN 74 HN ASN 74 73.777 -8.353 1.229 557 HA ASN 74 HA ASN 74 75.361 -9.227 -0.275 558 HB2 ASN 74 HB2 ASN 74 74.125 -11.279 0.655 559 HB3 ASN 74 HB1 ASN 74 73.240 -11.298 -0.871 560 HD21 ASN 74 HD21 ASN 74 75.103 -13.392 -0.028 561 HD22 ASN 74 HD22 ASN 74 76.382 -13.401 -1.143 562 H HIS 75 HN HIS 75 74.300 -10.880 -2.656 563 HA HIS 75 HA HIS 75 74.073 -10.377 -4.949 564 HD1 HIS 75 HD1 HIS 75 71.321 -7.168 -5.929 565 HD2 HIS 75 HD2 HIS 75 72.257 -11.119 -6.882 566 HE1 HIS 75 HE1 HIS 75 70.887 -7.427 -8.411 567 HE2 HIS 75 HE2 HIS 75 71.453 -9.829 -9.004 568 HB2 HIS 75 HB2 HIS 75 71.721 -10.206 -4.031 569 HB3 HIS 75 HB1 HIS 75 71.967 -8.464 -3.904 570 H1U RCY 76 H1U RCY 76 78.572 -6.798 3.154 571 H1S RCY 76 H1S RCY 76 76.380 -5.200 -0.392 572 HB1 RCY 76 HB1 RCY 76 75.086 -6.014 -2.651 573 HB2 RCY 76 HB2 RCY 76 75.298 -4.894 -3.993 574 HA RCY 76 HA RCY 76 76.231 -6.506 -5.274 575 HN1 RCY 76 HN1 RCY 76 75.850 -8.600 -3.219 576 H GLU 77 HN GLU 77 77.465 -8.868 -3.320 577 HA GLU 77 HA GLU 77 79.890 -7.900 -2.293 578 HB2 GLU 77 HB2 GLU 77 79.112 -10.222 -1.980 579 HB3 GLU 77 HB1 GLU 77 79.408 -10.555 -3.685 580 HG2 GLU 77 HG2 GLU 77 81.655 -9.428 -2.061 581 HG3 GLU 77 HG1 GLU 77 81.244 -11.129 -1.844 582 H LEU 78 HN LEU 78 78.847 -7.845 -5.504 583 HA LEU 78 HA LEU 78 81.574 -7.081 -6.394 584 HG LEU 78 HG LEU 78 82.923 -8.595 -7.534 585 HB2 LEU 78 HB2 LEU 78 80.730 -9.588 -6.958 586 HB3 LEU 78 HB1 LEU 78 79.994 -8.733 -8.313 587 HD11 LEU 78 HD11 LEU 78 82.081 -10.766 -8.560 588 HD12 LEU 78 HD12 LEU 78 83.348 -9.946 -9.472 589 HD13 LEU 78 HD13 LEU 78 81.668 -9.831 -9.997 590 HD21 LEU 78 HD21 LEU 78 81.254 -7.270 -9.672 591 HD22 LEU 78 HD22 LEU 78 82.989 -7.504 -9.886 592 HD23 LEU 78 HD23 LEU 78 82.389 -6.525 -8.548 593 H HIS 79 HN HIS 79 81.453 -5.209 -7.549 594 HA HIS 79 HA HIS 79 78.929 -3.914 -8.005 595 HD1 HIS 79 HD1 HIS 79 79.941 -0.441 -7.849 596 HD2 HIS 79 HD2 HIS 79 79.681 -2.556 -11.435 597 HE1 HIS 79 HE1 HIS 79 78.771 1.086 -9.497 598 HE2 HIS 79 HE2 HIS 79 78.606 -0.189 -11.684 599 HB2 HIS 79 HB2 HIS 79 81.039 -2.665 -7.671 600 HB3 HIS 79 HB1 HIS 79 81.644 -3.290 -9.205 601 H GLU 80 HN GLU 80 77.595 -3.989 -9.756 602 HA GLU 80 HA GLU 80 78.638 -5.099 -12.319 603 HB2 GLU 80 HB2 GLU 80 76.086 -5.998 -10.939 604 HB3 GLU 80 HB1 GLU 80 76.616 -6.504 -12.544 605 HG2 GLU 80 HG2 GLU 80 78.640 -7.507 -11.585 606 HG3 GLU 80 HG1 GLU 80 78.163 -6.964 -9.976 607 H LEU 81 HN LEU 81 75.267 -4.898 -12.166 608 HA LEU 81 HA LEU 81 75.284 -2.489 -13.850 609 HG LEU 81 HG LEU 81 73.012 -4.891 -15.361 610 HB2 LEU 81 HB2 LEU 81 73.171 -4.461 -12.983 611 HB3 LEU 81 HB1 LEU 81 72.723 -2.952 -13.775 612 HD11 LEU 81 HD11 LEU 81 75.176 -2.944 -16.022 613 HD12 LEU 81 HD12 LEU 81 73.558 -2.299 -15.751 614 HD13 LEU 81 HD13 LEU 81 73.828 -3.502 -17.012 615 HD21 LEU 81 HD21 LEU 81 75.962 -4.556 -14.770 616 HD22 LEU 81 HD22 LEU 81 75.192 -5.789 -15.769 617 HD23 LEU 81 HD23 LEU 81 74.985 -5.816 -14.017 618 H ALA 82 HN ALA 82 75.954 -2.400 -10.910 619 HA ALA 82 HA ALA 82 73.801 -1.182 -9.473 620 HB1 ALA 82 HB1 ALA 82 76.806 -1.009 -9.161 621 HB2 ALA 82 HB2 ALA 82 75.683 -2.007 -8.237 622 HB3 ALA 82 HB3 ALA 82 75.679 -0.255 -8.033 623 H GLN 83 HN GLN 83 74.625 -0.063 -12.277 624 HA GLN 83 HA GLN 83 75.640 2.531 -12.112 625 HB2 GLN 83 HB2 GLN 83 73.685 1.161 -13.888 626 HB3 GLN 83 HB1 GLN 83 73.648 2.923 -13.924 627 HG2 GLN 83 HG2 GLN 83 75.233 1.889 -15.596 628 HG3 GLN 83 HG1 GLN 83 75.995 3.029 -14.487 629 HE21 GLN 83 HE21 GLN 83 75.090 -0.454 -14.149 630 HE22 GLN 83 HE22 GLN 83 76.634 -0.955 -13.653 631 H TYR 84 HN TYR 84 72.137 1.776 -11.999 632 HA TYR 84 HA TYR 84 71.672 3.417 -9.681 633 HD1 TYR 84 HD1 TYR 84 68.501 5.056 -11.185 634 HD2 TYR 84 HD2 TYR 84 71.673 4.246 -13.966 635 HE1 TYR 84 HE1 TYR 84 66.853 4.959 -13.036 636 HE2 TYR 84 HE2 TYR 84 70.025 4.150 -15.817 637 HH TYR 84 HH TYR 84 66.544 4.377 -15.191 638 HB2 TYR 84 HB2 TYR 84 70.850 5.403 -10.571 639 HB3 TYR 84 HB1 TYR 84 72.148 5.053 -11.710 640 H GLY 85 HN GLY 85 69.873 2.550 -8.790 641 HA2 GLY 85 HA2 GLY 85 67.344 2.230 -9.697 642 HA3 GLY 85 HA1 GLY 85 68.134 0.839 -10.443 643 H ILE 86 HN ILE 86 69.910 0.079 -8.450 644 HA ILE 86 HA ILE 86 68.475 -0.138 -5.904 645 HB ILE 86 HB ILE 86 67.435 -1.895 -7.409 646 HG12 ILE 86 HG12 ILE 86 68.996 -3.157 -5.152 647 HG13 ILE 86 HG11 ILE 86 67.705 -1.997 -4.836 648 HG21 ILE 86 HG21 ILE 86 69.950 -2.320 -8.300 649 HG22 ILE 86 HG22 ILE 86 68.692 -3.554 -8.375 650 HG23 ILE 86 HG23 ILE 86 69.867 -3.571 -7.059 651 HD11 ILE 86 HD11 ILE 86 66.747 -4.222 -4.767 652 HD12 ILE 86 HD12 ILE 86 67.463 -4.624 -6.328 653 HD13 ILE 86 HD13 ILE 86 66.174 -3.423 -6.231 654 H1U RCY 87 H1U RCY 87 77.761 -1.675 -7.776 655 H1S RCY 87 H1S RCY 87 76.367 1.133 -5.005 656 HB1 RCY 87 HB1 RCY 87 72.519 2.124 -5.345 657 HB2 RCY 87 HB2 RCY 87 73.866 1.556 -6.328 658 HA RCY 87 HA RCY 87 73.202 -0.636 -6.207 659 HN1 RCY 87 HN1 RCY 87 70.910 1.008 -6.322 Start of MODEL 46 1 HA MET 1 HA MET 1 46.900 4.273 -7.139 2 HB2 MET 1 HB2 MET 1 48.122 3.705 -9.207 3 HB3 MET 1 HB1 MET 1 48.207 2.019 -8.696 4 HG2 MET 1 HG2 MET 1 45.843 1.745 -8.856 5 HG3 MET 1 HG1 MET 1 45.578 3.484 -8.979 6 HE1 MET 1 HE1 MET 1 43.986 2.816 -11.033 7 HE2 MET 1 HE2 MET 1 44.696 3.471 -12.506 8 HE3 MET 1 HE3 MET 1 44.807 4.382 -11.002 9 H ASN 2 HN ASN 2 47.511 0.835 -7.554 10 HA ASN 2 HA ASN 2 45.217 0.104 -5.994 11 HB2 ASN 2 HB2 ASN 2 47.578 -1.467 -7.047 12 HB3 ASN 2 HB1 ASN 2 46.277 -2.227 -6.129 13 HD21 ASN 2 HD21 ASN 2 43.986 -1.790 -7.044 14 HD22 ASN 2 HD22 ASN 2 43.829 -1.710 -8.732 15 H LEU 3 HN LEU 3 48.713 0.030 -5.285 16 HA LEU 3 HA LEU 3 48.193 0.451 -2.454 17 HG LEU 3 HG LEU 3 49.764 -0.964 -0.876 18 HB2 LEU 3 HB2 LEU 3 47.812 -2.069 -2.903 19 HB3 LEU 3 HB1 LEU 3 49.554 -2.153 -3.152 20 HD11 LEU 3 HD11 LEU 3 47.690 -1.653 0.572 21 HD12 LEU 3 HD12 LEU 3 46.838 -1.655 -0.972 22 HD13 LEU 3 HD13 LEU 3 47.611 -0.179 -0.393 23 HD21 LEU 3 HD21 LEU 3 48.561 -3.750 -0.942 24 HD22 LEU 3 HD22 LEU 3 49.586 -3.089 0.331 25 HD23 LEU 3 HD23 LEU 3 50.252 -3.376 -1.276 26 H GLU 4 HN GLU 4 50.923 -1.281 -2.360 27 HA GLU 4 HA GLU 4 52.599 1.121 -2.680 28 HB2 GLU 4 HB2 GLU 4 54.380 -0.324 -1.692 29 HB3 GLU 4 HB1 GLU 4 52.938 -0.223 -0.683 30 HG2 GLU 4 HG2 GLU 4 52.905 -2.483 -0.700 31 HG3 GLU 4 HG1 GLU 4 52.421 -2.372 -2.392 32 HA PRO 5 HA PRO 5 53.666 0.195 -6.946 33 HB2 PRO 5 HB2 PRO 5 56.293 1.258 -5.952 34 HB3 PRO 5 HB1 PRO 5 55.421 1.638 -7.451 35 HG2 PRO 5 HG2 PRO 5 55.370 3.280 -5.348 36 HG3 PRO 5 HG1 PRO 5 53.957 3.062 -6.394 37 HD2 PRO 5 HD2 PRO 5 54.379 2.134 -3.610 38 HD3 PRO 5 HD1 PRO 5 52.859 2.409 -4.488 39 HA PRO 6 HA PRO 6 55.902 -3.623 -5.764 40 HB2 PRO 6 HB2 PRO 6 54.621 -5.307 -7.447 41 HB3 PRO 6 HB1 PRO 6 53.874 -4.742 -5.940 42 HG2 PRO 6 HG2 PRO 6 53.374 -3.874 -8.732 43 HG3 PRO 6 HG1 PRO 6 52.248 -4.025 -7.375 44 HD2 PRO 6 HD2 PRO 6 53.406 -1.629 -8.267 45 HD3 PRO 6 HD1 PRO 6 52.622 -1.873 -6.692 46 H LYS 7 HN LYS 7 57.854 -4.189 -6.657 47 HA LYS 7 HA LYS 7 58.472 -3.298 -9.399 48 HB2 LYS 7 HB2 LYS 7 60.081 -2.971 -7.507 49 HB3 LYS 7 HB1 LYS 7 60.246 -4.723 -7.394 50 HG2 LYS 7 HG2 LYS 7 61.206 -4.874 -9.574 51 HG3 LYS 7 HG1 LYS 7 60.745 -3.218 -9.969 52 HD2 LYS 7 HD2 LYS 7 63.005 -2.964 -9.438 53 HD3 LYS 7 HD1 LYS 7 62.232 -2.601 -7.894 54 HE2 LYS 7 HE2 LYS 7 63.967 -4.138 -7.362 55 HE3 LYS 7 HE1 LYS 7 62.489 -5.101 -7.362 56 HZ1 LYS 7 HZ1 LYS 7 63.990 -6.330 -8.623 57 HZ2 LYS 7 HZ2 LYS 7 64.595 -4.963 -9.430 58 HZ3 LYS 7 HZ3 LYS 7 63.040 -5.546 -9.789 59 H ALA 8 HN ALA 8 59.067 -4.723 -11.089 60 HA ALA 8 HA ALA 8 57.718 -7.247 -11.155 61 HB1 ALA 8 HB1 ALA 8 58.271 -5.939 -13.189 62 HB2 ALA 8 HB2 ALA 8 58.882 -7.591 -13.292 63 HB3 ALA 8 HB3 ALA 8 59.983 -6.265 -12.918 64 H GLU 9 HN GLU 9 60.312 -8.406 -12.506 65 HA GLU 9 HA GLU 9 61.944 -9.963 -11.868 66 HB2 GLU 9 HB2 GLU 9 62.789 -7.792 -10.746 67 HB3 GLU 9 HB1 GLU 9 62.143 -8.469 -9.251 68 HG2 GLU 9 HG2 GLU 9 63.502 -10.544 -9.692 69 HG3 GLU 9 HG1 GLU 9 64.255 -9.696 -11.043 70 H1U RCY 10 H1U RCY 10 54.477 -13.227 -9.703 71 H1S RCY 10 H1S RCY 10 59.045 -13.492 -9.621 72 HB1 RCY 10 HB1 RCY 10 62.229 -14.235 -8.659 73 HB2 RCY 10 HB2 RCY 10 61.950 -14.020 -10.385 74 HA RCY 10 HA RCY 10 59.731 -12.801 -9.373 75 HN1 RCY 10 HN1 RCY 10 62.236 -11.835 -10.467 76 H ARG 11 HN ARG 11 59.848 -10.689 -7.901 77 HA ARG 11 HA ARG 11 60.213 -11.611 -5.197 78 HE ARG 11 HE ARG 11 62.362 -8.382 -1.801 79 HB2 ARG 11 HB2 ARG 11 62.610 -11.042 -6.110 80 HB3 ARG 11 HB1 ARG 11 62.102 -9.369 -5.886 81 HG2 ARG 11 HG2 ARG 11 62.027 -11.510 -3.738 82 HG3 ARG 11 HG1 ARG 11 63.260 -10.257 -3.875 83 HD2 ARG 11 HD2 ARG 11 61.236 -8.607 -3.861 84 HD3 ARG 11 HD1 ARG 11 60.348 -9.967 -3.173 85 HH11 ARG 11 HH21 ARG 11 60.877 -11.475 -2.139 86 HH12 ARG 11 HH22 ARG 11 61.231 -11.970 -0.517 87 HH21 ARG 11 HH11 ARG 11 62.832 -9.010 0.319 88 HH22 ARG 11 HH12 ARG 11 62.338 -10.574 0.874 89 H SER 12 HN SER 12 58.267 -10.722 -4.596 90 HA SER 12 HA SER 12 57.611 -7.952 -5.419 91 HG SER 12 HG SER 12 55.421 -8.716 -6.349 92 HB2 SER 12 HB2 SER 12 56.062 -10.128 -4.001 93 HB3 SER 12 HB1 SER 12 55.446 -8.486 -4.164 94 H ALA 13 HN ALA 13 57.164 -6.298 -3.849 95 HA ALA 13 HA ALA 13 58.920 -6.353 -1.551 96 HB1 ALA 13 HB1 ALA 13 58.593 -4.211 -2.490 97 HB2 ALA 13 HB2 ALA 13 57.631 -4.165 -1.013 98 HB3 ALA 13 HB3 ALA 13 56.843 -4.418 -2.572 99 H THR 14 HN THR 14 57.957 -8.351 -0.569 100 HA THR 14 HA THR 14 55.287 -8.411 0.455 101 HB THR 14 HB THR 14 57.690 -9.764 1.708 102 HG1 THR 14 HG1 THR 14 56.200 -10.365 -0.614 103 HG21 THR 14 HG21 THR 14 55.534 -9.898 2.923 104 HG22 THR 14 HG22 THR 14 56.034 -11.472 2.306 105 HG23 THR 14 HG23 THR 14 54.774 -10.560 1.476 106 H ARG 15 HN ARG 15 58.150 -8.257 2.576 107 HA ARG 15 HA ARG 15 57.133 -5.817 3.866 108 HE ARG 15 HE ARG 15 56.628 -10.746 4.335 109 HB2 ARG 15 HB2 ARG 15 56.829 -6.792 6.054 110 HB3 ARG 15 HB1 ARG 15 55.864 -7.731 4.915 111 HG2 ARG 15 HG2 ARG 15 58.081 -9.175 4.729 112 HG3 ARG 15 HG1 ARG 15 58.401 -8.487 6.322 113 HD2 ARG 15 HD2 ARG 15 57.175 -10.305 7.003 114 HD3 ARG 15 HD1 ARG 15 55.831 -9.208 6.681 115 HH11 ARG 15 HH21 ARG 15 54.791 -10.648 7.251 116 HH12 ARG 15 HH22 ARG 15 53.628 -11.815 6.715 117 HH21 ARG 15 HH11 ARG 15 55.120 -12.270 3.618 118 HH22 ARG 15 HH12 ARG 15 53.814 -12.733 4.658 119 H VAL 16 HN VAL 16 59.010 -4.681 3.855 120 HA VAL 16 HA VAL 16 61.323 -5.766 5.321 121 HB VAL 16 HB VAL 16 62.894 -5.242 3.447 122 HG11 VAL 16 HG11 VAL 16 62.536 -7.294 2.278 123 HG12 VAL 16 HG12 VAL 16 60.797 -7.234 2.562 124 HG13 VAL 16 HG13 VAL 16 61.899 -7.554 3.901 125 HG21 VAL 16 HG21 VAL 16 61.668 -3.699 2.115 126 HG22 VAL 16 HG22 VAL 16 60.270 -4.771 2.021 127 HG23 VAL 16 HG23 VAL 16 61.746 -5.168 1.141 128 H MET 17 HN MET 17 60.060 -3.099 3.316 129 HA MET 17 HA MET 17 61.730 -1.152 4.771 130 HB2 MET 17 HB2 MET 17 61.236 -0.936 2.310 131 HB3 MET 17 HB1 MET 17 59.548 -0.637 2.728 132 HG2 MET 17 HG2 MET 17 60.104 1.367 3.919 133 HG3 MET 17 HG1 MET 17 61.828 1.001 3.857 134 HE1 MET 17 HE1 MET 17 61.538 3.541 3.310 135 HE2 MET 17 HE2 MET 17 61.856 4.046 1.652 136 HE3 MET 17 HE3 MET 17 62.984 2.968 2.470 137 H GLY 18 HN GLY 18 58.260 -1.905 4.394 138 HA2 GLY 18 HA2 GLY 18 57.639 -0.057 6.634 139 HA3 GLY 18 HA1 GLY 18 56.451 -0.827 5.579 140 H GLY 19 HN GLY 19 58.208 -1.110 8.533 141 HA2 GLY 19 HA2 GLY 19 56.602 -2.907 9.832 142 HA3 GLY 19 HA1 GLY 19 57.656 -3.966 8.893 143 HA PRO 20 HA PRO 20 59.795 -3.517 12.963 144 HB2 PRO 20 HB2 PRO 20 61.389 -5.629 11.557 145 HB3 PRO 20 HB1 PRO 20 60.809 -5.584 13.235 146 HG2 PRO 20 HG2 PRO 20 59.620 -7.097 11.401 147 HG3 PRO 20 HG1 PRO 20 58.685 -6.261 12.653 148 HD2 PRO 20 HD2 PRO 20 58.933 -5.619 9.746 149 HD3 PRO 20 HD1 PRO 20 57.567 -5.345 10.850 150 H1U RCY 21 H1U RCY 21 63.809 -8.295 13.439 151 H1S RCY 21 H1S RCY 21 63.371 -3.769 11.816 152 HB1 RCY 21 HB1 RCY 21 63.899 -1.967 8.248 153 HB2 RCY 21 HB2 RCY 21 62.740 -3.289 8.388 154 HA RCY 21 HA RCY 21 63.114 -1.421 10.709 155 HN1 RCY 21 HN1 RCY 21 60.599 -2.741 9.806 156 H THR 22 HN THR 22 62.289 0.657 10.659 157 HA THR 22 HA THR 22 61.198 1.600 8.034 158 HB THR 22 HB THR 22 60.353 2.440 10.822 159 HG1 THR 22 HG1 THR 22 58.546 1.335 10.391 160 HG21 THR 22 HG21 THR 22 60.252 4.378 9.435 161 HG22 THR 22 HG22 THR 22 58.610 3.735 9.476 162 HG23 THR 22 HG23 THR 22 59.632 3.454 8.067 163 HA PRO 23 HA PRO 23 65.067 4.006 8.502 164 HB2 PRO 23 HB2 PRO 23 63.727 5.355 6.179 165 HB3 PRO 23 HB1 PRO 23 65.420 4.853 6.365 166 HG2 PRO 23 HG2 PRO 23 63.714 3.446 4.888 167 HG3 PRO 23 HG1 PRO 23 64.954 2.651 5.871 168 HD2 PRO 23 HD2 PRO 23 62.011 2.806 6.326 169 HD3 PRO 23 HD1 PRO 23 63.166 1.552 6.827 170 H ARG 24 HN ARG 24 65.399 6.537 8.572 171 HA ARG 24 HA ARG 24 63.125 8.229 9.038 172 HE ARG 24 HE ARG 24 64.787 4.385 13.752 173 HB2 ARG 24 HB2 ARG 24 63.489 8.441 11.566 174 HB3 ARG 24 HB1 ARG 24 62.666 6.982 11.016 175 HG2 ARG 24 HG2 ARG 24 64.769 5.726 11.114 176 HG3 ARG 24 HG1 ARG 24 65.635 7.184 11.599 177 HD2 ARG 24 HD2 ARG 24 64.515 7.280 13.695 178 HD3 ARG 24 HD1 ARG 24 63.292 6.118 13.181 179 HH11 ARG 24 HH21 ARG 24 66.385 7.420 13.400 180 HH12 ARG 24 HH22 ARG 24 67.912 6.832 13.967 181 HH21 ARG 24 HH11 ARG 24 66.772 3.600 14.495 182 HH22 ARG 24 HH12 ARG 24 68.131 4.669 14.587 183 H LYS 25 HN LYS 25 65.191 8.954 7.586 184 HA LYS 25 HA LYS 25 67.266 10.238 9.219 185 HB2 LYS 25 HB2 LYS 25 67.617 9.208 6.889 186 HB3 LYS 25 HB1 LYS 25 66.801 10.634 6.257 187 HG2 LYS 25 HG2 LYS 25 69.217 11.009 6.237 188 HG3 LYS 25 HG1 LYS 25 68.467 12.073 7.428 189 HD2 LYS 25 HD2 LYS 25 69.400 10.969 9.206 190 HD3 LYS 25 HD1 LYS 25 69.323 9.399 8.405 191 HE2 LYS 25 HE2 LYS 25 71.318 9.738 7.249 192 HE3 LYS 25 HE1 LYS 25 71.193 11.495 7.346 193 HZ1 LYS 25 HZ1 LYS 25 72.264 11.516 9.278 194 HZ2 LYS 25 HZ2 LYS 25 72.680 9.897 8.978 195 HZ3 LYS 25 HZ3 LYS 25 71.318 10.266 9.924 196 H GLY 26 HN GLY 26 65.658 11.849 6.507 197 HA2 GLY 26 HA2 GLY 26 63.964 13.624 6.821 198 HA3 GLY 26 HA1 GLY 26 64.675 13.943 8.404 199 HA PRO 27 HA PRO 27 66.961 17.417 6.864 200 HB2 PRO 27 HB2 PRO 27 69.260 15.986 8.171 201 HB3 PRO 27 HB1 PRO 27 68.795 17.693 8.286 202 HG2 PRO 27 HG2 PRO 27 68.234 15.921 10.217 203 HG3 PRO 27 HG1 PRO 27 67.175 17.290 9.843 204 HD2 PRO 27 HD2 PRO 27 66.712 14.416 9.389 205 HD3 PRO 27 HD1 PRO 27 65.543 15.755 9.398 206 HA PRO 28 HA PRO 28 68.951 16.608 2.993 207 HB2 PRO 28 HB2 PRO 28 71.501 17.460 4.346 208 HB3 PRO 28 HB1 PRO 28 70.883 17.900 2.740 209 HG2 PRO 28 HG2 PRO 28 70.641 19.520 4.872 210 HG3 PRO 28 HG1 PRO 28 69.434 19.459 3.579 211 HD2 PRO 28 HD2 PRO 28 69.187 18.561 6.364 212 HD3 PRO 28 HD1 PRO 28 67.912 18.806 5.151 213 H LYS 29 HN LYS 29 69.883 14.774 2.064 214 HA LYS 29 HA LYS 29 71.670 13.086 3.734 215 HB2 LYS 29 HB2 LYS 29 70.280 11.069 3.091 216 HB3 LYS 29 HB1 LYS 29 69.513 12.163 4.240 217 HG2 LYS 29 HG2 LYS 29 68.620 13.287 1.975 218 HG3 LYS 29 HG1 LYS 29 68.834 11.639 1.383 219 HD2 LYS 29 HD2 LYS 29 67.354 12.245 3.947 220 HD3 LYS 29 HD1 LYS 29 66.540 12.191 2.383 221 HE2 LYS 29 HE2 LYS 29 68.293 9.888 2.819 222 HE3 LYS 29 HE1 LYS 29 67.014 10.007 4.028 223 HZ1 LYS 29 HZ1 LYS 29 66.544 8.799 1.818 224 HZ2 LYS 29 HZ2 LYS 29 66.388 10.362 1.173 225 HZ3 LYS 29 HZ3 LYS 29 65.373 9.858 2.438 226 H1U RCY 30 H1U RCY 30 67.815 17.802 -3.219 227 H1S RCY 30 H1S RCY 30 70.671 15.604 -1.256 228 HB1 RCY 30 HB1 RCY 30 74.628 14.707 -1.044 229 HB2 RCY 30 HB2 RCY 30 73.424 15.559 -0.081 230 HA RCY 30 HA RCY 30 72.449 12.931 -0.857 231 HN1 RCY 30 HN1 RCY 30 72.569 14.541 1.586 232 H LYS 31 HN LYS 31 73.278 11.323 1.253 233 HA LYS 31 HA LYS 31 75.008 9.884 1.923 234 HB2 LYS 31 HB2 LYS 31 75.641 10.529 -0.951 235 HB3 LYS 31 HB1 LYS 31 76.777 9.567 -0.009 236 HG2 LYS 31 HG2 LYS 31 75.383 7.930 -0.955 237 HG3 LYS 31 HG1 LYS 31 74.675 8.162 0.644 238 HD2 LYS 31 HD2 LYS 31 72.781 8.320 -0.696 239 HD3 LYS 31 HD1 LYS 31 73.257 10.016 -0.595 240 HE2 LYS 31 HE2 LYS 31 74.692 9.459 -2.720 241 HE3 LYS 31 HE1 LYS 31 73.588 8.094 -2.881 242 HZ1 LYS 31 HZ1 LYS 31 72.917 10.200 -4.047 243 HZ2 LYS 31 HZ2 LYS 31 72.645 10.876 -2.513 244 HZ3 LYS 31 HZ3 LYS 31 71.747 9.526 -3.020 245 H GLN 32 HN GLN 32 75.679 11.476 3.532 246 HA GLN 32 HA GLN 32 77.372 13.633 3.278 247 HB2 GLN 32 HB2 GLN 32 78.074 13.272 5.533 248 HB3 GLN 32 HB1 GLN 32 76.435 12.634 5.427 249 HG2 GLN 32 HG2 GLN 32 79.028 11.071 5.401 250 HG3 GLN 32 HG1 GLN 32 77.725 10.975 6.586 251 HE21 GLN 32 HE21 GLN 32 78.976 9.105 4.277 252 HE22 GLN 32 HE22 GLN 32 77.576 8.405 3.621 253 H ARG 33 HN ARG 33 79.426 13.971 2.595 254 HA ARG 33 HA ARG 33 81.061 11.585 1.872 255 HE ARG 33 HE ARG 33 81.587 17.896 0.181 256 HB2 ARG 33 HB2 ARG 33 82.400 13.284 0.569 257 HB3 ARG 33 HB1 ARG 33 80.727 13.119 0.035 258 HG2 ARG 33 HG2 ARG 33 80.072 15.136 1.097 259 HG3 ARG 33 HG1 ARG 33 81.540 15.194 2.073 260 HD2 ARG 33 HD2 ARG 33 82.758 15.292 -0.247 261 HD3 ARG 33 HD1 ARG 33 81.186 15.820 -0.846 262 HH11 ARG 33 HH21 ARG 33 83.473 15.383 1.600 263 HH12 ARG 33 HH22 ARG 33 84.338 16.447 2.658 264 HH21 ARG 33 HH11 ARG 33 82.705 19.300 1.556 265 HH22 ARG 33 HH12 ARG 33 83.903 18.665 2.633 266 H GLN 34 HN GLN 34 80.716 13.065 4.599 267 HA GLN 34 HA GLN 34 83.093 14.394 5.308 268 HB2 GLN 34 HB2 GLN 34 81.265 12.585 6.897 269 HB3 GLN 34 HB1 GLN 34 82.638 13.412 7.632 270 HG2 GLN 34 HG2 GLN 34 81.732 15.583 6.832 271 HG3 GLN 34 HG1 GLN 34 80.331 14.735 6.176 272 HE21 GLN 34 HE21 GLN 34 79.752 16.631 8.086 273 HE22 GLN 34 HE22 GLN 34 79.350 15.899 9.564 274 H THR 35 HN THR 35 82.846 11.307 4.082 275 HA THR 35 HA THR 35 84.373 9.545 3.906 276 HB THR 35 HB THR 35 86.660 10.094 3.925 277 HG1 THR 35 HG1 THR 35 86.273 12.336 5.559 278 HG21 THR 35 HG21 THR 35 85.126 11.628 2.507 279 HG22 THR 35 HG22 THR 35 86.795 12.139 2.762 280 HG23 THR 35 HG23 THR 35 85.496 12.865 3.709 281 H ARG 36 HN ARG 36 85.589 11.157 6.863 282 HA ARG 36 HA ARG 36 85.881 10.301 9.028 283 HE ARG 36 HE ARG 36 80.918 10.356 11.489 284 HB2 ARG 36 HB2 ARG 36 83.295 9.019 8.144 285 HB3 ARG 36 HB1 ARG 36 83.977 8.688 9.736 286 HG2 ARG 36 HG2 ARG 36 83.781 10.937 10.421 287 HG3 ARG 36 HG1 ARG 36 83.615 11.520 8.764 288 HD2 ARG 36 HD2 ARG 36 81.379 11.281 8.844 289 HD3 ARG 36 HD1 ARG 36 81.535 9.601 9.355 290 HH11 ARG 36 HH21 ARG 36 82.648 12.775 9.745 291 HH12 ARG 36 HH22 ARG 36 82.583 13.936 11.029 292 HH21 ARG 36 HH11 ARG 36 80.823 11.859 13.175 293 HH22 ARG 36 HH12 ARG 36 81.550 13.417 12.971 294 H GLN 37 HN GLN 37 86.208 8.414 6.305 295 HA GLN 37 HA GLN 37 88.048 6.597 7.537 296 HB2 GLN 37 HB2 GLN 37 85.630 5.738 8.185 297 HB3 GLN 37 HB1 GLN 37 85.615 5.136 6.530 298 HG2 GLN 37 HG2 GLN 37 87.611 4.465 8.707 299 HG3 GLN 37 HG1 GLN 37 86.479 3.367 7.916 300 HE21 GLN 37 HE21 GLN 37 87.142 2.398 5.951 301 HE22 GLN 37 HE22 GLN 37 88.607 2.753 5.172 302 H1U RCY 38 H1U RCY 38 84.492 8.696 -2.868 303 H1S RCY 38 H1S RCY 38 86.201 7.878 0.681 304 HB1 RCY 38 HB1 RCY 38 88.864 8.807 2.935 305 HB2 RCY 38 HB2 RCY 38 87.351 7.936 3.178 306 HA RCY 38 HA RCY 38 88.862 5.812 3.280 307 HN1 RCY 38 HN1 RCY 38 89.274 7.356 5.725 308 H LYS 39 HN LYS 39 91.017 5.193 4.209 309 HA LYS 39 HA LYS 39 93.143 7.241 3.825 310 HB2 LYS 39 HB2 LYS 39 93.022 4.562 5.204 311 HB3 LYS 39 HB1 LYS 39 94.574 5.294 4.798 312 HG2 LYS 39 HG2 LYS 39 92.529 6.982 6.190 313 HG3 LYS 39 HG1 LYS 39 93.415 5.787 7.138 314 HD2 LYS 39 HD2 LYS 39 94.767 7.813 5.338 315 HD3 LYS 39 HD1 LYS 39 94.494 8.076 7.061 316 HE2 LYS 39 HE2 LYS 39 96.506 7.061 7.334 317 HE3 LYS 39 HE1 LYS 39 95.617 5.566 7.043 318 HZ1 LYS 39 HZ1 LYS 39 97.104 5.343 5.392 319 HZ2 LYS 39 HZ2 LYS 39 97.444 7.006 5.310 320 HZ3 LYS 39 HZ3 LYS 39 96.059 6.380 4.550 321 H SER 40 HN SER 40 91.636 5.722 1.628 322 HA SER 40 HA SER 40 92.156 4.556 -0.357 323 HG SER 40 HG SER 40 95.672 6.544 -0.246 324 HB2 SER 40 HB2 SER 40 94.289 5.345 -1.401 325 HB3 SER 40 HB1 SER 40 93.291 6.667 -0.802 326 H LYS 41 HN LYS 41 92.564 2.970 1.950 327 HA LYS 41 HA LYS 41 95.109 1.778 2.187 328 HB2 LYS 41 HB2 LYS 41 92.632 0.091 2.396 329 HB3 LYS 41 HB1 LYS 41 94.062 0.103 3.427 330 HG2 LYS 41 HG2 LYS 41 92.650 1.266 4.820 331 HG3 LYS 41 HG1 LYS 41 93.224 2.625 3.854 332 HD2 LYS 41 HD2 LYS 41 90.930 2.931 3.683 333 HD3 LYS 41 HD1 LYS 41 91.224 1.923 2.265 334 HE2 LYS 41 HE2 LYS 41 90.624 -0.086 3.553 335 HE3 LYS 41 HE1 LYS 41 90.355 0.905 4.987 336 HZ1 LYS 41 HZ1 LYS 41 88.885 2.077 2.972 337 HZ2 LYS 41 HZ2 LYS 41 88.288 1.176 4.283 338 HZ3 LYS 41 HZ3 LYS 41 88.615 0.410 2.802 339 HA PRO 42 HA PRO 42 95.378 -0.279 -1.779 340 HB2 PRO 42 HB2 PRO 42 97.569 -1.830 -1.288 341 HB3 PRO 42 HB1 PRO 42 97.674 -0.076 -1.540 342 HG2 PRO 42 HG2 PRO 42 97.727 -1.622 1.002 343 HG3 PRO 42 HG1 PRO 42 98.672 -0.202 0.523 344 HD2 PRO 42 HD2 PRO 42 96.465 -0.069 2.164 345 HD3 PRO 42 HD1 PRO 42 97.008 1.277 1.137 346 HA PRO 43 HA PRO 43 93.388 -4.214 -1.370 347 HB2 PRO 43 HB2 PRO 43 94.492 -5.636 -3.461 348 HB3 PRO 43 HB1 PRO 43 93.249 -4.386 -3.660 349 HG2 PRO 43 HG2 PRO 43 96.189 -4.206 -4.065 350 HG3 PRO 43 HG1 PRO 43 94.871 -3.476 -4.998 351 HD2 PRO 43 HD2 PRO 43 96.351 -2.059 -3.194 352 HD3 PRO 43 HD1 PRO 43 94.648 -1.685 -3.541 353 H LYS 44 HN LYS 44 93.732 -5.961 -0.048 354 HA LYS 44 HA LYS 44 96.053 -7.647 -0.170 355 HB2 LYS 44 HB2 LYS 44 96.773 -6.951 2.270 356 HB3 LYS 44 HB1 LYS 44 97.390 -6.050 0.886 357 HG2 LYS 44 HG2 LYS 44 96.120 -4.194 1.352 358 HG3 LYS 44 HG1 LYS 44 94.787 -5.143 2.009 359 HD2 LYS 44 HD2 LYS 44 95.877 -3.884 3.807 360 HD3 LYS 44 HD1 LYS 44 96.147 -5.612 4.035 361 HE2 LYS 44 HE2 LYS 44 98.376 -5.447 3.092 362 HE3 LYS 44 HE1 LYS 44 98.111 -3.759 2.659 363 HZ1 LYS 44 HZ1 LYS 44 97.568 -3.646 5.235 364 HZ2 LYS 44 HZ2 LYS 44 99.142 -3.448 4.627 365 HZ3 LYS 44 HZ3 LYS 44 98.656 -4.947 5.263 366 H LYS 45 HN LYS 45 94.685 -6.665 2.918 367 HA LYS 45 HA LYS 45 92.700 -8.852 2.852 368 HB2 LYS 45 HB2 LYS 45 94.875 -9.883 3.590 369 HB3 LYS 45 HB1 LYS 45 94.885 -8.769 4.955 370 HG2 LYS 45 HG2 LYS 45 93.883 -10.690 5.868 371 HG3 LYS 45 HG1 LYS 45 92.492 -9.699 5.426 372 HD2 LYS 45 HD2 LYS 45 92.110 -10.956 3.429 373 HD3 LYS 45 HD1 LYS 45 93.669 -11.771 3.563 374 HE2 LYS 45 HE2 LYS 45 92.958 -13.112 5.356 375 HE3 LYS 45 HE1 LYS 45 91.623 -12.031 5.756 376 HZ1 LYS 45 HZ1 LYS 45 90.386 -12.761 3.950 377 HZ2 LYS 45 HZ2 LYS 45 91.090 -14.191 4.539 378 HZ3 LYS 45 HZ3 LYS 45 91.729 -13.432 3.160 379 H GLY 46 HN GLY 46 90.991 -7.512 3.358 380 HA2 GLY 46 HA2 GLY 46 91.167 -5.289 5.173 381 HA3 GLY 46 HA1 GLY 46 89.668 -6.025 4.605 382 H VAL 47 HN VAL 47 92.084 -6.047 7.139 383 HA VAL 47 HA VAL 47 90.799 -8.263 8.576 384 HB VAL 47 HB VAL 47 93.170 -8.111 8.853 385 HG11 VAL 47 HG11 VAL 47 93.563 -5.842 8.147 386 HG12 VAL 47 HG12 VAL 47 94.188 -5.988 9.790 387 HG13 VAL 47 HG13 VAL 47 92.636 -5.201 9.504 388 HG21 VAL 47 HG21 VAL 47 93.375 -7.990 11.221 389 HG22 VAL 47 HG22 VAL 47 91.697 -8.456 10.938 390 HG23 VAL 47 HG23 VAL 47 92.092 -6.787 11.348 391 H GLN 48 HN GLN 48 90.843 -4.741 8.655 392 HA GLN 48 HA GLN 48 88.709 -4.843 10.755 393 HB2 GLN 48 HB2 GLN 48 91.230 -3.764 11.117 394 HB3 GLN 48 HB1 GLN 48 90.290 -2.353 10.636 395 HG2 GLN 48 HG2 GLN 48 89.662 -4.258 12.910 396 HG3 GLN 48 HG1 GLN 48 90.161 -2.572 13.052 397 HE21 GLN 48 HE21 GLN 48 87.619 -3.691 14.051 398 HE22 GLN 48 HE22 GLN 48 86.376 -2.886 13.221 399 H GLY 49 HN GLY 49 90.162 -2.636 8.329 400 HA2 GLY 49 HA2 GLY 49 89.107 -1.368 6.653 401 HA3 GLY 49 HA1 GLY 49 87.657 -2.337 6.915 402 H1U RCY 50 H1U RCY 50 80.231 -3.048 6.430 403 H1S RCY 50 H1S RCY 50 82.665 -1.711 9.855 404 HB1 RCY 50 HB1 RCY 50 84.319 0.208 10.764 405 HB2 RCY 50 HB2 RCY 50 85.591 -0.383 11.831 406 HA RCY 50 HA RCY 50 85.807 0.893 9.192 407 HN1 RCY 50 HN1 RCY 50 86.719 -1.825 9.301 408 H GLY 51 HN GLY 51 87.399 2.433 9.392 409 HA2 GLY 51 HA2 GLY 51 89.717 2.298 10.999 410 HA3 GLY 51 HA1 GLY 51 88.962 3.805 10.482 411 H ASP 52 HN ASP 52 86.653 2.081 12.139 412 HA ASP 52 HA ASP 52 85.864 2.120 14.354 413 HB2 ASP 52 HB2 ASP 52 88.491 1.876 14.780 414 HB3 ASP 52 HB1 ASP 52 88.308 3.533 15.354 415 H ASP 53 HN ASP 53 86.068 4.497 12.323 416 HA ASP 53 HA ASP 53 85.796 6.818 14.104 417 HB2 ASP 53 HB2 ASP 53 86.748 6.839 11.709 418 HB3 ASP 53 HB1 ASP 53 85.073 6.720 11.171 419 H ILE 54 HN ILE 54 83.581 7.693 12.066 420 HA ILE 54 HA ILE 54 81.309 6.214 13.331 421 HB ILE 54 HB ILE 54 81.214 9.189 12.831 422 HG12 ILE 54 HG12 ILE 54 82.100 7.763 15.361 423 HG13 ILE 54 HG11 ILE 54 83.110 8.793 14.346 424 HG21 ILE 54 HG21 ILE 54 79.743 7.440 14.820 425 HG22 ILE 54 HG22 ILE 54 79.129 7.800 13.206 426 HG23 ILE 54 HG23 ILE 54 79.363 9.103 14.371 427 HD11 ILE 54 HD11 ILE 54 81.459 10.665 14.767 428 HD12 ILE 54 HD12 ILE 54 82.356 10.142 16.193 429 HD13 ILE 54 HD13 ILE 54 80.686 9.623 15.961 430 HA PRO 55 HA PRO 55 80.777 6.565 8.751 431 HB2 PRO 55 HB2 PRO 55 80.407 3.931 8.227 432 HB3 PRO 55 HB1 PRO 55 82.024 4.640 8.411 433 HG2 PRO 55 HG2 PRO 55 80.448 3.011 10.327 434 HG3 PRO 55 HG1 PRO 55 82.193 3.036 10.031 435 HD2 PRO 55 HD2 PRO 55 80.910 4.330 12.149 436 HD3 PRO 55 HD1 PRO 55 82.540 4.712 11.555 437 H GLY 56 HN GLY 56 78.724 7.616 9.149 438 HA2 GLY 56 HA2 GLY 56 76.382 7.730 9.067 439 HA3 GLY 56 HA1 GLY 56 76.415 6.071 8.468 440 H MET 57 HN MET 57 75.750 8.060 11.179 441 HA MET 57 HA MET 57 76.023 6.077 13.256 442 HB2 MET 57 HB2 MET 57 75.816 8.602 13.566 443 HB3 MET 57 HB1 MET 57 74.091 8.406 13.258 444 HG2 MET 57 HG2 MET 57 74.218 8.262 15.600 445 HG3 MET 57 HG1 MET 57 74.206 6.570 15.103 446 HE1 MET 57 HE1 MET 57 76.675 7.488 18.241 447 HE2 MET 57 HE2 MET 57 75.026 7.009 17.846 448 HE3 MET 57 HE3 MET 57 75.534 8.679 17.605 449 H GLU 58 HN GLU 58 74.893 4.556 11.410 450 HA GLU 58 HA GLU 58 73.000 3.297 10.799 451 HB2 GLU 58 HB2 GLU 58 73.475 2.669 13.220 452 HB3 GLU 58 HB1 GLU 58 72.191 3.792 13.672 453 HG2 GLU 58 HG2 GLU 58 71.171 1.627 13.510 454 HG3 GLU 58 HG1 GLU 58 70.676 2.521 12.073 455 H GLY 59 HN GLY 59 71.948 4.766 9.379 456 HA2 GLY 59 HA2 GLY 59 69.318 5.598 10.190 457 HA3 GLY 59 HA1 GLY 59 70.388 6.998 10.082 458 H1U RCY 60 H1U RCY 60 69.920 8.598 1.125 459 H1S RCY 60 H1S RCY 60 72.376 9.179 4.597 460 HB1 RCY 60 HB1 RCY 60 71.041 6.330 4.391 461 HB2 RCY 60 HB2 RCY 60 71.281 5.428 5.888 462 HA RCY 60 HA RCY 60 70.185 8.251 5.802 463 HN1 RCY 60 HN1 RCY 60 70.525 7.933 8.105 464 H GLY 61 HN GLY 61 69.211 6.824 3.774 465 HA2 GLY 61 HA2 GLY 61 67.136 4.962 4.248 466 HA3 GLY 61 HA1 GLY 61 66.419 6.572 4.339 467 H THR 62 HN THR 62 68.985 6.937 2.355 468 HA THR 62 HA THR 62 67.289 6.950 -0.033 469 HB THR 62 HB THR 62 69.825 7.530 -0.922 470 HG1 THR 62 HG1 THR 62 70.069 9.019 1.256 471 HG21 THR 62 HG21 THR 62 69.123 9.802 -0.908 472 HG22 THR 62 HG22 THR 62 68.120 9.562 0.523 473 HG23 THR 62 HG23 THR 62 67.636 8.860 -1.022 474 H ASP 63 HN ASP 63 67.716 4.350 1.097 475 HA ASP 63 HA ASP 63 69.762 2.805 -0.028 476 HB2 ASP 63 HB2 ASP 63 66.875 1.905 0.127 477 HB3 ASP 63 HB1 ASP 63 68.322 0.904 0.248 478 H ILE 64 HN ILE 64 66.725 3.895 -1.524 479 HA ILE 64 HA ILE 64 67.904 3.213 -4.190 480 HB ILE 64 HB ILE 64 65.008 2.784 -3.392 481 HG12 ILE 64 HG12 ILE 64 66.709 0.544 -4.338 482 HG13 ILE 64 HG11 ILE 64 67.082 1.158 -2.727 483 HG21 ILE 64 HG21 ILE 64 66.422 2.984 -5.948 484 HG22 ILE 64 HG22 ILE 64 64.689 3.011 -5.621 485 HG23 ILE 64 HG23 ILE 64 65.533 1.471 -5.780 486 HD11 ILE 64 HD11 ILE 64 64.342 0.272 -3.680 487 HD12 ILE 64 HD12 ILE 64 64.722 0.880 -2.068 488 HD13 ILE 64 HD13 ILE 64 65.404 -0.651 -2.617 489 H THR 65 HN THR 65 68.052 5.788 -3.155 490 HA THR 65 HA THR 65 65.941 7.540 -3.444 491 HB THR 65 HB THR 65 68.520 8.217 -4.847 492 HG1 THR 65 HG1 THR 65 69.021 7.044 -2.926 493 HG21 THR 65 HG21 THR 65 68.139 10.366 -3.622 494 HG22 THR 65 HG22 THR 65 66.642 9.690 -2.980 495 HG23 THR 65 HG23 THR 65 66.820 9.948 -4.716 496 H VAL 66 HN VAL 66 67.606 5.769 -5.934 497 HA VAL 66 HA VAL 66 65.417 6.066 -7.789 498 HB VAL 66 HB VAL 66 67.299 7.077 -9.508 499 HG11 VAL 66 HG11 VAL 66 65.988 9.038 -9.535 500 HG12 VAL 66 HG12 VAL 66 65.650 8.943 -7.807 501 HG13 VAL 66 HG13 VAL 66 64.880 7.811 -8.919 502 HG21 VAL 66 HG21 VAL 66 67.676 8.728 -7.013 503 HG22 VAL 66 HG22 VAL 66 68.647 8.717 -8.485 504 HG23 VAL 66 HG23 VAL 66 68.744 7.367 -7.354 505 H ILE 67 HN ILE 67 68.837 5.294 -7.284 506 HA ILE 67 HA ILE 67 68.407 2.765 -8.799 507 HB ILE 67 HB ILE 67 70.742 4.664 -9.185 508 HG12 ILE 67 HG12 ILE 67 68.678 3.647 -11.162 509 HG13 ILE 67 HG11 ILE 67 68.587 5.219 -10.368 510 HG21 ILE 67 HG21 ILE 67 71.412 2.934 -10.913 511 HG22 ILE 67 HG22 ILE 67 70.206 1.861 -10.202 512 HG23 ILE 67 HG23 ILE 67 71.579 2.406 -9.238 513 HD11 ILE 67 HD11 ILE 67 69.625 5.435 -12.590 514 HD12 ILE 67 HD12 ILE 67 70.859 4.260 -12.134 515 HD13 ILE 67 HD13 ILE 67 70.787 5.824 -11.322 516 H1U RCY 68 H1U RCY 68 67.734 -4.194 0.479 517 H1S RCY 68 H1S RCY 68 68.113 -1.466 -3.525 518 HB1 RCY 68 HB1 RCY 68 68.597 -0.274 -5.506 519 HB2 RCY 68 HB2 RCY 68 68.842 0.809 -4.137 520 HA RCY 68 HA RCY 68 70.740 1.796 -5.090 521 HN1 RCY 68 HN1 RCY 68 68.690 1.296 -7.149 522 HA PRO 69 HA PRO 69 73.934 -0.056 -7.691 523 HB2 PRO 69 HB2 PRO 69 74.942 -0.717 -4.936 524 HB3 PRO 69 HB1 PRO 69 75.831 -0.076 -6.334 525 HG2 PRO 69 HG2 PRO 69 75.058 1.495 -4.315 526 HG3 PRO 69 HG1 PRO 69 75.085 2.070 -5.990 527 HD2 PRO 69 HD2 PRO 69 72.753 1.463 -4.264 528 HD3 PRO 69 HD1 PRO 69 72.848 2.494 -5.709 529 H TRP 70 HN TRP 70 72.132 -1.591 -5.136 530 HA TRP 70 HA TRP 70 73.027 -4.300 -5.783 531 HD1 TRP 70 HD1 TRP 70 73.949 -5.456 -3.756 532 HE1 TRP 70 HE1 TRP 70 73.517 -7.922 -3.147 533 HE3 TRP 70 HE3 TRP 70 68.847 -5.530 -3.945 534 HZ2 TRP 70 HZ2 TRP 70 71.297 -9.696 -2.787 535 HZ3 TRP 70 HZ3 TRP 70 67.602 -7.615 -3.467 536 HH2 TRP 70 HH2 TRP 70 68.816 -9.696 -2.889 537 HB2 TRP 70 HB2 TRP 70 72.068 -3.303 -3.520 538 HB3 TRP 70 HB1 TRP 70 70.515 -3.722 -4.240 539 H GLU 71 HN GLU 71 71.662 -2.484 -7.841 540 HA GLU 71 HA GLU 71 69.566 -4.462 -8.658 541 HB2 GLU 71 HB2 GLU 71 69.448 -1.439 -8.736 542 HB3 GLU 71 HB1 GLU 71 68.373 -2.458 -9.694 543 HG2 GLU 71 HG2 GLU 71 67.621 -3.587 -7.611 544 HG3 GLU 71 HG1 GLU 71 68.648 -2.501 -6.673 545 H ALA 72 HN ALA 72 70.655 -1.519 -10.299 546 HA ALA 72 HA ALA 72 70.948 -2.756 -12.826 547 HB1 ALA 72 HB1 ALA 72 72.353 -0.744 -13.394 548 HB2 ALA 72 HB2 ALA 72 72.275 -0.278 -11.695 549 HB3 ALA 72 HB3 ALA 72 70.800 -0.346 -12.659 550 H1U RCY 73 H1U RCY 73 78.874 3.513 -12.689 551 H1S RCY 73 H1S RCY 73 76.966 1.231 -9.487 552 HB1 RCY 73 HB1 RCY 73 76.537 -1.314 -12.455 553 HB2 RCY 73 HB2 RCY 73 77.305 -2.210 -11.144 554 HA RCY 73 HA RCY 73 75.496 -3.439 -12.526 555 HN1 RCY 73 HN1 RCY 73 73.850 -1.310 -11.443 556 H ASN 74 HN ASN 74 73.760 -4.783 -10.962 557 HA ASN 74 HA ASN 74 74.803 -5.127 -8.247 558 HB2 ASN 74 HB2 ASN 74 73.177 -7.135 -8.313 559 HB3 ASN 74 HB1 ASN 74 72.473 -5.523 -8.445 560 HD21 ASN 74 HD21 ASN 74 70.700 -7.000 -9.540 561 HD22 ASN 74 HD22 ASN 74 70.850 -7.216 -11.217 562 H HIS 75 HN HIS 75 74.169 -7.790 -10.499 563 HA HIS 75 HA HIS 75 75.460 -9.694 -10.964 564 HD1 HIS 75 HD1 HIS 75 75.218 -9.333 -13.298 565 HD2 HIS 75 HD2 HIS 75 77.247 -5.721 -12.813 566 HE1 HIS 75 HE1 HIS 75 74.441 -7.819 -15.174 567 HE2 HIS 75 HE2 HIS 75 75.669 -5.617 -14.890 568 HB2 HIS 75 HB2 HIS 75 77.722 -7.674 -10.927 569 HB3 HIS 75 HB1 HIS 75 77.710 -9.228 -11.761 570 H1U RCY 76 H1U RCY 76 78.140 -12.372 -1.627 571 H1S RCY 76 H1S RCY 76 79.313 -9.289 -4.089 572 HB1 RCY 76 HB1 RCY 76 77.489 -10.051 -5.773 573 HB2 RCY 76 HB2 RCY 76 76.535 -8.897 -6.703 574 HA RCY 76 HA RCY 76 79.364 -8.788 -7.421 575 HN1 RCY 76 HN1 RCY 76 78.158 -8.132 -9.320 576 H GLU 77 HN GLU 77 80.730 -10.500 -7.484 577 HA GLU 77 HA GLU 77 80.170 -12.962 -8.765 578 HB2 GLU 77 HB2 GLU 77 82.245 -12.136 -6.735 579 HB3 GLU 77 HB1 GLU 77 82.171 -13.791 -7.338 580 HG2 GLU 77 HG2 GLU 77 83.744 -12.408 -8.665 581 HG3 GLU 77 HG1 GLU 77 82.395 -12.981 -9.647 582 H LEU 78 HN LEU 78 81.329 -13.686 -5.647 583 HA LEU 78 HA LEU 78 78.822 -14.208 -4.333 584 HG LEU 78 HG LEU 78 81.442 -16.257 -5.474 585 HB2 LEU 78 HB2 LEU 78 78.698 -16.601 -4.553 586 HB3 LEU 78 HB1 LEU 78 78.745 -15.903 -6.166 587 HD11 LEU 78 HD11 LEU 78 81.699 -18.373 -4.530 588 HD12 LEU 78 HD12 LEU 78 80.080 -18.891 -5.002 589 HD13 LEU 78 HD13 LEU 78 80.291 -17.777 -3.651 590 HD21 LEU 78 HD21 LEU 78 80.394 -16.566 -7.700 591 HD22 LEU 78 HD22 LEU 78 79.622 -18.043 -7.123 592 HD23 LEU 78 HD23 LEU 78 81.379 -17.960 -7.255 593 H HIS 79 HN HIS 79 80.320 -13.033 -2.845 594 HA HIS 79 HA HIS 79 81.464 -14.858 -0.934 595 HD1 HIS 79 HD1 HIS 79 82.704 -15.280 0.504 596 HD2 HIS 79 HD2 HIS 79 85.548 -15.817 -2.501 597 HE1 HIS 79 HE1 HIS 79 84.222 -17.154 1.281 598 HE2 HIS 79 HE2 HIS 79 85.957 -17.490 -0.539 599 HB2 HIS 79 HB2 HIS 79 83.187 -14.233 -3.038 600 HB3 HIS 79 HB1 HIS 79 83.669 -13.107 -1.771 601 H GLU 80 HN GLU 80 82.018 -13.753 1.032 602 HA GLU 80 HA GLU 80 80.700 -11.162 1.312 603 HB2 GLU 80 HB2 GLU 80 81.509 -13.303 3.048 604 HB3 GLU 80 HB1 GLU 80 82.227 -11.811 3.650 605 HG2 GLU 80 HG2 GLU 80 80.058 -10.721 3.700 606 HG3 GLU 80 HG1 GLU 80 79.297 -12.112 2.926 607 H LEU 81 HN LEU 81 84.035 -12.374 1.302 608 HA LEU 81 HA LEU 81 85.250 -9.882 2.051 609 HG LEU 81 HG LEU 81 85.287 -12.842 0.065 610 HB2 LEU 81 HB2 LEU 81 87.192 -11.073 0.549 611 HB3 LEU 81 HB1 LEU 81 86.868 -11.490 2.230 612 HD11 LEU 81 HD11 LEU 81 88.106 -13.553 0.927 613 HD12 LEU 81 HD12 LEU 81 87.583 -13.104 -0.696 614 HD13 LEU 81 HD13 LEU 81 87.046 -14.626 0.015 615 HD21 LEU 81 HD21 LEU 81 86.415 -14.049 2.582 616 HD22 LEU 81 HD22 LEU 81 84.949 -14.487 1.704 617 HD23 LEU 81 HD23 LEU 81 84.994 -13.008 2.664 618 H ALA 82 HN ALA 82 83.320 -10.416 -0.495 619 HA ALA 82 HA ALA 82 84.811 -9.288 -2.693 620 HB1 ALA 82 HB1 ALA 82 82.568 -8.941 -3.716 621 HB2 ALA 82 HB2 ALA 82 81.821 -9.393 -2.184 622 HB3 ALA 82 HB3 ALA 82 82.764 -10.576 -3.087 623 H GLN 83 HN GLN 83 85.033 -7.785 -0.171 624 HA GLN 83 HA GLN 83 83.485 -5.460 -0.021 625 HB2 GLN 83 HB2 GLN 83 86.476 -5.744 0.406 626 HB3 GLN 83 HB1 GLN 83 85.516 -4.363 0.935 627 HG2 GLN 83 HG2 GLN 83 84.778 -7.173 1.749 628 HG3 GLN 83 HG1 GLN 83 85.965 -6.241 2.662 629 HE21 GLN 83 HE21 GLN 83 82.590 -6.011 1.423 630 HE22 GLN 83 HE22 GLN 83 82.038 -5.017 2.683 631 H TYR 84 HN TYR 84 86.244 -6.143 -2.150 632 HA TYR 84 HA TYR 84 85.347 -3.884 -3.869 633 HD1 TYR 84 HD2 TYR 84 89.072 -5.809 -2.721 634 HD2 TYR 84 HD1 TYR 84 87.025 -2.479 -0.940 635 HE1 TYR 84 HE2 TYR 84 89.997 -6.426 -0.504 636 HE2 TYR 84 HE1 TYR 84 87.950 -3.096 1.277 637 HH TYR 84 HH TYR 84 89.972 -4.367 2.134 638 HB2 TYR 84 HB2 TYR 84 88.161 -3.925 -4.088 639 HB3 TYR 84 HB1 TYR 84 87.180 -2.676 -3.329 640 H GLY 85 HN GLY 85 84.471 -5.575 -5.209 641 HA2 GLY 85 HA2 GLY 85 86.565 -7.075 -6.735 642 HA3 GLY 85 HA1 GLY 85 84.992 -7.784 -6.361 643 H ILE 86 HN ILE 86 83.401 -5.474 -6.830 644 HA ILE 86 HA ILE 86 83.878 -4.218 -9.339 645 HB ILE 86 HB ILE 86 83.750 -6.370 -10.387 646 HG12 ILE 86 HG12 ILE 86 82.075 -4.357 -11.063 647 HG13 ILE 86 HG11 ILE 86 82.142 -5.878 -11.953 648 HG21 ILE 86 HG21 ILE 86 81.341 -6.783 -8.600 649 HG22 ILE 86 HG22 ILE 86 82.841 -7.709 -8.615 650 HG23 ILE 86 HG23 ILE 86 81.713 -7.836 -9.965 651 HD11 ILE 86 HD11 ILE 86 80.171 -6.669 -11.026 652 HD12 ILE 86 HD12 ILE 86 79.829 -4.939 -11.049 653 HD13 ILE 86 HD13 ILE 86 80.357 -5.714 -9.555 654 H1U RCY 87 H1U RCY 87 80.939 -2.189 1.110 655 H1S RCY 87 H1S RCY 87 82.085 -0.844 -3.223 656 HB1 RCY 87 HB1 RCY 87 80.387 -4.458 -4.787 657 HB2 RCY 87 HB2 RCY 87 79.585 -2.887 -4.791 658 HA RCY 87 HA RCY 87 79.545 -3.953 -7.040 659 HN1 RCY 87 HN1 RCY 87 82.240 -4.614 -6.545 Start of MODEL 47 1 HA MET 1 HA MET 1 66.268 -9.837 20.938 2 HB2 MET 1 HB2 MET 1 66.752 -10.324 23.882 3 HB3 MET 1 HB1 MET 1 67.561 -9.021 23.010 4 HG2 MET 1 HG2 MET 1 65.428 -8.043 22.385 5 HG3 MET 1 HG1 MET 1 64.555 -9.405 23.086 6 HE1 MET 1 HE1 MET 1 65.772 -5.861 23.671 7 HE2 MET 1 HE2 MET 1 64.673 -5.703 25.039 8 HE3 MET 1 HE3 MET 1 64.099 -6.415 23.533 9 H ASN 2 HN ASN 2 67.528 -12.822 22.116 10 HA ASN 2 HA ASN 2 70.306 -12.104 21.342 11 HB2 ASN 2 HB2 ASN 2 69.732 -13.421 23.467 12 HB3 ASN 2 HB1 ASN 2 69.344 -14.769 22.397 13 HD21 ASN 2 HD21 ASN 2 71.153 -16.118 22.915 14 HD22 ASN 2 HD22 ASN 2 72.759 -15.669 22.593 15 H LEU 3 HN LEU 3 67.508 -13.633 20.070 16 HA LEU 3 HA LEU 3 68.749 -15.538 18.320 17 HG LEU 3 HG LEU 3 66.053 -14.704 20.037 18 HB2 LEU 3 HB2 LEU 3 66.204 -14.030 17.700 19 HB3 LEU 3 HB1 LEU 3 66.641 -15.671 17.225 20 HD11 LEU 3 HD11 LEU 3 64.635 -16.594 18.138 21 HD12 LEU 3 HD12 LEU 3 64.033 -15.051 18.743 22 HD13 LEU 3 HD13 LEU 3 64.220 -16.416 19.843 23 HD21 LEU 3 HD21 LEU 3 67.769 -16.327 20.276 24 HD22 LEU 3 HD22 LEU 3 67.136 -17.309 18.956 25 HD23 LEU 3 HD23 LEU 3 66.274 -17.238 20.493 26 H GLU 4 HN GLU 4 70.048 -15.125 16.606 27 HA GLU 4 HA GLU 4 70.243 -12.375 15.565 28 HB2 GLU 4 HB2 GLU 4 71.781 -14.919 14.975 29 HB3 GLU 4 HB1 GLU 4 72.103 -13.381 14.175 30 HG2 GLU 4 HG2 GLU 4 72.109 -13.707 17.185 31 HG3 GLU 4 HG1 GLU 4 73.562 -13.858 16.196 32 HA PRO 5 HA PRO 5 67.583 -12.523 12.043 33 HB2 PRO 5 HB2 PRO 5 70.135 -12.215 10.486 34 HB3 PRO 5 HB1 PRO 5 68.592 -11.359 10.293 35 HG2 PRO 5 HG2 PRO 5 70.693 -10.280 11.578 36 HG3 PRO 5 HG1 PRO 5 69.017 -9.927 12.021 37 HD2 PRO 5 HD2 PRO 5 71.035 -11.440 13.525 38 HD3 PRO 5 HD1 PRO 5 69.476 -10.795 14.081 39 HA PRO 6 HA PRO 6 68.682 -16.853 10.988 40 HB2 PRO 6 HB2 PRO 6 66.250 -17.947 11.399 41 HB3 PRO 6 HB1 PRO 6 67.323 -17.529 12.749 42 HG2 PRO 6 HG2 PRO 6 64.916 -16.117 11.748 43 HG3 PRO 6 HG1 PRO 6 65.527 -16.281 13.401 44 HD2 PRO 6 HD2 PRO 6 65.874 -14.036 11.733 45 HD3 PRO 6 HD1 PRO 6 66.762 -14.366 13.235 46 H LYS 7 HN LYS 7 68.624 -17.657 8.909 47 HA LYS 7 HA LYS 7 67.010 -16.301 6.898 48 HB2 LYS 7 HB2 LYS 7 68.022 -18.260 5.456 49 HB3 LYS 7 HB1 LYS 7 69.079 -16.974 6.040 50 HG2 LYS 7 HG2 LYS 7 69.904 -18.318 7.823 51 HG3 LYS 7 HG1 LYS 7 68.622 -19.512 7.616 52 HD2 LYS 7 HD2 LYS 7 69.561 -20.345 5.612 53 HD3 LYS 7 HD1 LYS 7 70.582 -18.923 5.398 54 HE2 LYS 7 HE2 LYS 7 71.824 -20.956 6.220 55 HE3 LYS 7 HE1 LYS 7 71.967 -19.552 7.278 56 HZ1 LYS 7 HZ1 LYS 7 70.927 -20.612 8.913 57 HZ2 LYS 7 HZ2 LYS 7 71.132 -22.039 8.014 58 HZ3 LYS 7 HZ3 LYS 7 69.684 -21.159 7.896 59 H ALA 8 HN ALA 8 64.859 -16.760 6.807 60 HA ALA 8 HA ALA 8 64.052 -19.640 6.814 61 HB1 ALA 8 HB1 ALA 8 63.530 -18.417 9.001 62 HB2 ALA 8 HB2 ALA 8 62.160 -19.185 8.198 63 HB3 ALA 8 HB3 ALA 8 62.394 -17.442 8.068 64 H GLU 9 HN GLU 9 64.222 -19.137 4.424 65 HA GLU 9 HA GLU 9 63.171 -18.689 2.377 66 HB2 GLU 9 HB2 GLU 9 60.590 -18.411 3.917 67 HB3 GLU 9 HB1 GLU 9 60.838 -19.049 2.291 68 HG2 GLU 9 HG2 GLU 9 62.231 -20.897 3.392 69 HG3 GLU 9 HG1 GLU 9 61.558 -20.344 4.926 70 H1U RCY 10 H1U RCY 10 59.834 -8.409 -1.799 71 H1S RCY 10 H1S RCY 10 61.410 -12.126 -0.927 72 HB1 RCY 10 HB1 RCY 10 61.578 -14.490 -0.338 73 HB2 RCY 10 HB2 RCY 10 63.167 -15.172 0.010 74 HA RCY 10 HA RCY 10 62.526 -14.326 2.484 75 HN1 RCY 10 HN1 RCY 10 62.006 -16.939 1.180 76 H ARG 11 HN ARG 11 60.267 -15.707 3.478 77 HA ARG 11 HA ARG 11 57.856 -14.804 2.133 78 HE ARG 11 HE ARG 11 55.743 -16.312 6.809 79 HB2 ARG 11 HB2 ARG 11 58.179 -16.786 3.812 80 HB3 ARG 11 HB1 ARG 11 57.961 -15.550 5.050 81 HG2 ARG 11 HG2 ARG 11 55.811 -14.900 4.031 82 HG3 ARG 11 HG1 ARG 11 56.026 -16.133 2.788 83 HD2 ARG 11 HD2 ARG 11 54.778 -17.378 4.260 84 HD3 ARG 11 HD1 ARG 11 56.365 -17.671 4.971 85 HH11 ARG 11 HH21 ARG 11 53.598 -15.992 4.129 86 HH12 ARG 11 HH22 ARG 11 52.430 -15.060 5.004 87 HH21 ARG 11 HH11 ARG 11 54.230 -15.097 7.968 88 HH22 ARG 11 HH12 ARG 11 52.787 -14.554 7.178 89 H SER 12 HN SER 12 58.543 -12.500 1.944 90 HA SER 12 HA SER 12 58.405 -10.957 4.484 91 HG SER 12 HG SER 12 58.415 -8.584 3.688 92 HB2 SER 12 HB2 SER 12 60.203 -10.526 2.731 93 HB3 SER 12 HB1 SER 12 58.922 -9.903 1.696 94 H ALA 13 HN ALA 13 56.070 -12.289 3.089 95 HA ALA 13 HA ALA 13 53.787 -11.733 2.914 96 HB1 ALA 13 HB1 ALA 13 54.655 -9.810 4.575 97 HB2 ALA 13 HB2 ALA 13 53.032 -9.780 3.887 98 HB3 ALA 13 HB3 ALA 13 54.313 -8.803 3.167 99 H THR 14 HN THR 14 56.089 -9.526 1.342 100 HA THR 14 HA THR 14 54.588 -9.913 -1.201 101 HB THR 14 HB THR 14 54.776 -7.510 -1.721 102 HG1 THR 14 HG1 THR 14 55.277 -6.660 0.785 103 HG21 THR 14 HG21 THR 14 52.733 -8.342 -0.608 104 HG22 THR 14 HG22 THR 14 53.100 -6.687 -0.118 105 HG23 THR 14 HG23 THR 14 53.468 -8.030 0.965 106 H ARG 15 HN ARG 15 56.562 -7.604 -2.060 107 HA ARG 15 HA ARG 15 58.874 -9.457 -2.482 108 HE ARG 15 HE ARG 15 59.281 -6.387 -6.529 109 HB2 ARG 15 HB2 ARG 15 59.386 -7.855 -4.414 110 HB3 ARG 15 HB1 ARG 15 57.966 -8.883 -4.601 111 HG2 ARG 15 HG2 ARG 15 56.556 -7.001 -3.728 112 HG3 ARG 15 HG1 ARG 15 57.994 -5.979 -3.728 113 HD2 ARG 15 HD2 ARG 15 56.432 -7.057 -6.038 114 HD3 ARG 15 HD1 ARG 15 57.164 -5.467 -5.824 115 HH11 ARG 15 HH21 ARG 15 56.669 -8.633 -6.401 116 HH12 ARG 15 HH22 ARG 15 57.478 -9.833 -7.352 117 HH21 ARG 15 HH11 ARG 15 60.354 -7.942 -7.771 118 HH22 ARG 15 HH12 ARG 15 59.565 -9.442 -8.128 119 H VAL 16 HN VAL 16 59.282 -8.559 -0.163 120 HA VAL 16 HA VAL 16 60.367 -7.043 1.281 121 HB VAL 16 HB VAL 16 62.697 -6.661 0.576 122 HG11 VAL 16 HG11 VAL 16 61.949 -8.911 1.369 123 HG12 VAL 16 HG12 VAL 16 63.306 -9.000 0.246 124 HG13 VAL 16 HG13 VAL 16 61.675 -9.377 -0.310 125 HG21 VAL 16 HG21 VAL 16 63.438 -7.171 -1.657 126 HG22 VAL 16 HG22 VAL 16 62.047 -6.099 -1.817 127 HG23 VAL 16 HG23 VAL 16 61.862 -7.832 -2.092 128 H MET 17 HN MET 17 58.536 -5.725 -0.790 129 HA MET 17 HA MET 17 59.171 -3.017 -0.082 130 HB2 MET 17 HB2 MET 17 60.905 -3.613 -1.931 131 HB3 MET 17 HB1 MET 17 59.535 -3.508 -3.035 132 HG2 MET 17 HG2 MET 17 59.082 -1.220 -1.852 133 HG3 MET 17 HG1 MET 17 60.766 -1.346 -1.344 134 HE1 MET 17 HE1 MET 17 59.952 0.917 -2.567 135 HE2 MET 17 HE2 MET 17 60.477 1.255 -4.215 136 HE3 MET 17 HE3 MET 17 61.674 0.906 -2.970 137 H GLY 18 HN GLY 18 56.838 -3.894 0.392 138 HA2 GLY 18 HA2 GLY 18 54.539 -3.924 -0.151 139 HA3 GLY 18 HA1 GLY 18 54.934 -2.405 -0.955 140 H GLY 19 HN GLY 19 55.251 -2.404 -3.224 141 HA2 GLY 19 HA2 GLY 19 55.200 -4.918 -4.720 142 HA3 GLY 19 HA1 GLY 19 53.711 -3.981 -4.857 143 HA PRO 20 HA PRO 20 55.115 -1.485 -8.195 144 HB2 PRO 20 HB2 PRO 20 54.831 0.843 -6.319 145 HB3 PRO 20 HB1 PRO 20 54.240 0.659 -7.982 146 HG2 PRO 20 HG2 PRO 20 52.629 0.380 -5.864 147 HG3 PRO 20 HG1 PRO 20 52.417 -0.570 -7.343 148 HD2 PRO 20 HD2 PRO 20 53.357 -1.455 -4.681 149 HD3 PRO 20 HD1 PRO 20 52.677 -2.415 -6.012 150 H1U RCY 21 H1U RCY 21 66.439 -4.264 -7.964 151 H1S RCY 21 H1S RCY 21 62.650 -4.068 -5.981 152 HB1 RCY 21 HB1 RCY 21 59.764 -3.319 -7.490 153 HB2 RCY 21 HB2 RCY 21 59.312 -2.883 -5.841 154 HA RCY 21 HA RCY 21 59.220 -0.483 -6.561 155 HN1 RCY 21 HN1 RCY 21 57.350 -2.389 -7.906 156 H THR 22 HN THR 22 59.532 1.045 -8.208 157 HA THR 22 HA THR 22 61.036 0.042 -10.573 158 HB THR 22 HB THR 22 59.709 1.234 -12.143 159 HG1 THR 22 HG1 THR 22 58.948 2.595 -9.870 160 HG21 THR 22 HG21 THR 22 57.502 0.258 -11.872 161 HG22 THR 22 HG22 THR 22 57.755 0.078 -10.136 162 HG23 THR 22 HG23 THR 22 58.700 -0.887 -11.270 163 HA PRO 23 HA PRO 23 63.247 3.581 -8.626 164 HB2 PRO 23 HB2 PRO 23 65.447 2.507 -10.304 165 HB3 PRO 23 HB1 PRO 23 65.423 2.850 -8.564 166 HG2 PRO 23 HG2 PRO 23 65.402 0.352 -9.528 167 HG3 PRO 23 HG1 PRO 23 64.554 0.798 -8.038 168 HD2 PRO 23 HD2 PRO 23 63.422 0.269 -10.763 169 HD3 PRO 23 HD1 PRO 23 62.733 -0.095 -9.164 170 H ARG 24 HN ARG 24 65.373 4.585 -10.353 171 HA ARG 24 HA ARG 24 63.697 5.814 -12.509 172 HE ARG 24 HE ARG 24 65.860 10.856 -13.728 173 HB2 ARG 24 HB2 ARG 24 64.715 7.277 -10.651 174 HB3 ARG 24 HB1 ARG 24 66.276 6.938 -11.401 175 HG2 ARG 24 HG2 ARG 24 65.404 7.811 -13.559 176 HG3 ARG 24 HG1 ARG 24 63.883 8.212 -12.761 177 HD2 ARG 24 HD2 ARG 24 64.750 10.072 -11.802 178 HD3 ARG 24 HD1 ARG 24 66.236 9.242 -11.342 179 HH11 ARG 24 HH21 ARG 24 67.464 8.150 -12.317 180 HH12 ARG 24 HH22 ARG 24 68.831 8.238 -13.378 181 HH21 ARG 24 HH11 ARG 24 67.635 10.987 -15.121 182 HH22 ARG 24 HH12 ARG 24 68.928 9.845 -14.965 183 H LYS 25 HN LYS 25 64.671 3.371 -13.175 184 HA LYS 25 HA LYS 25 67.335 3.467 -14.318 185 HB2 LYS 25 HB2 LYS 25 66.762 1.314 -15.311 186 HB3 LYS 25 HB1 LYS 25 66.196 1.351 -13.641 187 HG2 LYS 25 HG2 LYS 25 64.033 2.387 -14.980 188 HG3 LYS 25 HG1 LYS 25 64.644 1.211 -16.145 189 HD2 LYS 25 HD2 LYS 25 64.677 -0.503 -14.319 190 HD3 LYS 25 HD1 LYS 25 63.915 0.676 -13.251 191 HE2 LYS 25 HE2 LYS 25 62.117 0.887 -15.106 192 HE3 LYS 25 HE1 LYS 25 62.781 -0.625 -15.724 193 HZ1 LYS 25 HZ1 LYS 25 60.886 -0.467 -13.840 194 HZ2 LYS 25 HZ2 LYS 25 62.281 -0.585 -12.877 195 HZ3 LYS 25 HZ3 LYS 25 61.935 -1.788 -14.026 196 H GLY 26 HN GLY 26 65.993 5.733 -15.203 197 HA2 GLY 26 HA2 GLY 26 65.040 5.168 -17.948 198 HA3 GLY 26 HA1 GLY 26 65.007 6.741 -17.149 199 HA PRO 27 HA PRO 27 68.324 7.904 -19.924 200 HB2 PRO 27 HB2 PRO 27 69.047 9.572 -17.536 201 HB3 PRO 27 HB1 PRO 27 68.940 10.042 -19.244 202 HG2 PRO 27 HG2 PRO 27 67.013 10.644 -17.498 203 HG3 PRO 27 HG1 PRO 27 66.654 10.241 -19.184 204 HD2 PRO 27 HD2 PRO 27 66.150 8.646 -16.733 205 HD3 PRO 27 HD1 PRO 27 65.348 8.565 -18.316 206 HA PRO 28 HA PRO 28 71.922 5.489 -19.001 207 HB2 PRO 28 HB2 PRO 28 73.450 8.067 -19.176 208 HB3 PRO 28 HB1 PRO 28 73.795 6.501 -19.939 209 HG2 PRO 28 HG2 PRO 28 72.694 8.530 -21.294 210 HG3 PRO 28 HG1 PRO 28 72.285 6.840 -21.627 211 HD2 PRO 28 HD2 PRO 28 70.630 8.942 -20.366 212 HD3 PRO 28 HD1 PRO 28 70.125 7.428 -21.147 213 H LYS 29 HN LYS 29 73.697 5.285 -17.339 214 HA LYS 29 HA LYS 29 73.495 7.135 -15.040 215 HB2 LYS 29 HB2 LYS 29 73.162 5.178 -13.477 216 HB3 LYS 29 HB1 LYS 29 71.761 5.558 -14.477 217 HG2 LYS 29 HG2 LYS 29 73.818 3.496 -15.293 218 HG3 LYS 29 HG1 LYS 29 72.392 3.084 -14.341 219 HD2 LYS 29 HD2 LYS 29 71.270 4.562 -16.348 220 HD3 LYS 29 HD1 LYS 29 72.605 3.787 -17.202 221 HE2 LYS 29 HE2 LYS 29 70.316 2.486 -15.729 222 HE3 LYS 29 HE1 LYS 29 70.835 2.233 -17.396 223 HZ1 LYS 29 HZ1 LYS 29 72.132 1.310 -14.907 224 HZ2 LYS 29 HZ2 LYS 29 72.990 1.404 -16.371 225 HZ3 LYS 29 HZ3 LYS 29 71.632 0.391 -16.242 226 H1U RCY 30 H1U RCY 30 79.053 9.267 -8.757 227 H1S RCY 30 H1S RCY 30 80.257 6.601 -11.875 228 HB1 RCY 30 HB1 RCY 30 77.280 7.279 -14.155 229 HB2 RCY 30 HB2 RCY 30 78.565 7.720 -15.275 230 HA RCY 30 HA RCY 30 77.928 6.162 -16.807 231 HN1 RCY 30 HN1 RCY 30 75.676 6.895 -16.676 232 H LYS 31 HN LYS 31 78.162 4.012 -17.319 233 HA LYS 31 HA LYS 31 77.746 1.990 -15.170 234 HB2 LYS 31 HB2 LYS 31 78.495 0.936 -17.802 235 HB3 LYS 31 HB1 LYS 31 77.104 0.548 -16.798 236 HG2 LYS 31 HG2 LYS 31 75.869 1.650 -18.349 237 HG3 LYS 31 HG1 LYS 31 76.544 3.127 -17.660 238 HD2 LYS 31 HD2 LYS 31 77.871 1.545 -19.878 239 HD3 LYS 31 HD1 LYS 31 76.832 2.944 -20.156 240 HE2 LYS 31 HE2 LYS 31 79.247 3.056 -18.339 241 HE3 LYS 31 HE1 LYS 31 79.342 3.420 -20.062 242 HZ1 LYS 31 HZ1 LYS 31 77.647 5.119 -19.755 243 HZ2 LYS 31 HZ2 LYS 31 78.996 5.422 -18.768 244 HZ3 LYS 31 HZ3 LYS 31 77.577 4.776 -18.095 245 H GLN 32 HN GLN 32 80.195 3.821 -16.544 246 HA GLN 32 HA GLN 32 82.305 1.820 -16.557 247 HB2 GLN 32 HB2 GLN 32 82.294 4.844 -16.619 248 HB3 GLN 32 HB1 GLN 32 83.790 3.908 -16.593 249 HG2 GLN 32 HG2 GLN 32 83.161 2.758 -18.647 250 HG3 GLN 32 HG1 GLN 32 81.590 3.562 -18.651 251 HE21 GLN 32 HE21 GLN 32 85.105 4.392 -18.633 252 HE22 GLN 32 HE22 GLN 32 84.930 5.778 -19.597 253 H ARG 33 HN ARG 33 83.471 4.477 -14.890 254 HA ARG 33 HA ARG 33 83.077 3.168 -12.229 255 HE ARG 33 HE ARG 33 86.593 0.567 -12.063 256 HB2 ARG 33 HB2 ARG 33 85.351 2.699 -13.331 257 HB3 ARG 33 HB1 ARG 33 85.690 4.414 -13.107 258 HG2 ARG 33 HG2 ARG 33 86.554 3.543 -11.131 259 HG3 ARG 33 HG1 ARG 33 84.908 3.929 -10.628 260 HD2 ARG 33 HD2 ARG 33 85.002 1.744 -9.897 261 HD3 ARG 33 HD1 ARG 33 84.454 1.460 -11.548 262 HH11 ARG 33 HH21 ARG 33 86.500 2.179 -9.017 263 HH12 ARG 33 HH22 ARG 33 88.062 1.618 -8.522 264 HH21 ARG 33 HH11 ARG 33 88.634 -0.175 -11.434 265 HH22 ARG 33 HH12 ARG 33 89.270 0.286 -9.891 266 H GLN 34 HN GLN 34 85.268 5.558 -11.809 267 HA GLN 34 HA GLN 34 83.302 7.786 -11.744 268 HB2 GLN 34 HB2 GLN 34 84.844 6.775 -9.333 269 HB3 GLN 34 HB1 GLN 34 83.952 8.296 -9.382 270 HG2 GLN 34 HG2 GLN 34 81.916 6.897 -10.081 271 HG3 GLN 34 HG1 GLN 34 82.855 5.488 -9.587 272 HE21 GLN 34 HE21 GLN 34 80.390 6.926 -8.348 273 HE22 GLN 34 HE22 GLN 34 80.833 7.138 -6.724 274 H THR 35 HN THR 35 85.015 9.483 -10.172 275 HA THR 35 HA THR 35 86.715 10.535 -12.188 276 HB THR 35 HB THR 35 86.886 10.883 -9.179 277 HG1 THR 35 HG1 THR 35 85.861 12.814 -10.883 278 HG21 THR 35 HG21 THR 35 88.144 12.357 -11.498 279 HG22 THR 35 HG22 THR 35 88.948 11.638 -10.103 280 HG23 THR 35 HG23 THR 35 87.963 13.087 -9.903 281 H ARG 36 HN ARG 36 87.974 9.268 -9.092 282 HA ARG 36 HA ARG 36 89.825 7.480 -10.508 283 HE ARG 36 HE ARG 36 91.139 5.613 -10.058 284 HB2 ARG 36 HB2 ARG 36 90.670 10.062 -10.235 285 HB3 ARG 36 HB1 ARG 36 91.260 9.379 -8.723 286 HG2 ARG 36 HG2 ARG 36 91.787 8.225 -11.480 287 HG3 ARG 36 HG1 ARG 36 92.941 9.169 -10.536 288 HD2 ARG 36 HD2 ARG 36 93.616 7.146 -9.745 289 HD3 ARG 36 HD1 ARG 36 92.188 7.264 -8.717 290 HH11 ARG 36 HH21 ARG 36 94.010 6.876 -11.489 291 HH12 ARG 36 HH22 ARG 36 94.060 5.693 -12.753 292 HH21 ARG 36 HH11 ARG 36 91.188 4.060 -11.701 293 HH22 ARG 36 HH12 ARG 36 92.463 4.099 -12.873 294 H GLN 37 HN GLN 37 88.691 5.932 -9.155 295 HA GLN 37 HA GLN 37 88.362 4.680 -7.191 296 HB2 GLN 37 HB2 GLN 37 91.082 5.893 -6.614 297 HB3 GLN 37 HB1 GLN 37 90.368 4.555 -5.713 298 HG2 GLN 37 HG2 GLN 37 90.103 3.462 -8.089 299 HG3 GLN 37 HG1 GLN 37 91.365 4.606 -8.547 300 HE21 GLN 37 HE21 GLN 37 90.718 1.647 -6.806 301 HE22 GLN 37 HE22 GLN 37 92.313 1.362 -6.299 302 H1U RCY 38 H1U RCY 38 83.204 2.062 -1.178 303 H1S RCY 38 H1S RCY 38 83.708 6.042 -3.931 304 HB1 RCY 38 HB1 RCY 38 86.112 7.268 -2.800 305 HB2 RCY 38 HB2 RCY 38 86.563 5.565 -2.732 306 HA RCY 38 HA RCY 38 88.116 7.883 -3.868 307 HN1 RCY 38 HN1 RCY 38 89.004 5.145 -4.539 308 H LYS 39 HN LYS 39 89.405 4.767 -2.959 309 HA LYS 39 HA LYS 39 89.678 4.914 -0.203 310 HB2 LYS 39 HB2 LYS 39 91.836 4.109 -2.172 311 HB3 LYS 39 HB1 LYS 39 91.797 3.675 -0.465 312 HG2 LYS 39 HG2 LYS 39 89.772 2.394 -0.762 313 HG3 LYS 39 HG1 LYS 39 89.589 2.975 -2.418 314 HD2 LYS 39 HD2 LYS 39 92.159 1.629 -1.747 315 HD3 LYS 39 HD1 LYS 39 90.726 0.604 -1.847 316 HE2 LYS 39 HE2 LYS 39 91.820 0.750 -4.043 317 HE3 LYS 39 HE1 LYS 39 90.238 1.527 -4.095 318 HZ1 LYS 39 HZ1 LYS 39 91.153 3.603 -4.193 319 HZ2 LYS 39 HZ2 LYS 39 92.333 2.722 -5.040 320 HZ3 LYS 39 HZ3 LYS 39 92.589 3.144 -3.415 321 H SER 40 HN SER 40 90.932 7.136 -2.492 322 HA SER 40 HA SER 40 93.175 8.070 -0.898 323 HG SER 40 HG SER 40 94.185 9.734 -1.784 324 HB2 SER 40 HB2 SER 40 92.927 8.382 -3.399 325 HB3 SER 40 HB1 SER 40 91.685 9.583 -3.058 326 H LYS 41 HN LYS 41 91.067 7.935 0.859 327 HA LYS 41 HA LYS 41 90.689 10.799 1.518 328 HB2 LYS 41 HB2 LYS 41 88.284 10.502 1.928 329 HB3 LYS 41 HB1 LYS 41 88.667 10.140 0.244 330 HG2 LYS 41 HG2 LYS 41 88.844 7.702 0.914 331 HG3 LYS 41 HG1 LYS 41 88.181 8.161 2.483 332 HD2 LYS 41 HD2 LYS 41 86.830 8.684 -0.181 333 HD3 LYS 41 HD1 LYS 41 86.419 7.363 0.913 334 HE2 LYS 41 HE2 LYS 41 86.126 9.226 2.701 335 HE3 LYS 41 HE1 LYS 41 86.054 10.326 1.324 336 HZ1 LYS 41 HZ1 LYS 41 83.893 9.792 1.343 337 HZ2 LYS 41 HZ2 LYS 41 84.133 8.357 2.221 338 HZ3 LYS 41 HZ3 LYS 41 84.393 8.383 0.542 339 HA PRO 42 HA PRO 42 91.556 9.075 5.537 340 HB2 PRO 42 HB2 PRO 42 90.866 11.201 7.099 341 HB3 PRO 42 HB1 PRO 42 92.324 11.193 6.086 342 HG2 PRO 42 HG2 PRO 42 89.681 12.465 5.572 343 HG3 PRO 42 HG1 PRO 42 91.312 13.081 5.255 344 HD2 PRO 42 HD2 PRO 42 89.717 11.978 3.307 345 HD3 PRO 42 HD1 PRO 42 91.493 11.951 3.246 346 HA PRO 43 HA PRO 43 87.786 7.488 7.232 347 HB2 PRO 43 HB2 PRO 43 88.384 7.369 9.924 348 HB3 PRO 43 HB1 PRO 43 88.990 6.214 8.722 349 HG2 PRO 43 HG2 PRO 43 90.355 8.555 9.947 350 HG3 PRO 43 HG1 PRO 43 91.000 6.957 9.534 351 HD2 PRO 43 HD2 PRO 43 91.445 9.161 7.986 352 HD3 PRO 43 HD1 PRO 43 91.343 7.520 7.309 353 H LYS 44 HN LYS 44 85.823 8.310 7.934 354 HA LYS 44 HA LYS 44 85.851 11.074 9.060 355 HB2 LYS 44 HB2 LYS 44 84.228 9.696 7.090 356 HB3 LYS 44 HB1 LYS 44 83.203 10.314 8.382 357 HG2 LYS 44 HG2 LYS 44 83.413 12.063 6.731 358 HG3 LYS 44 HG1 LYS 44 84.378 12.540 8.129 359 HD2 LYS 44 HD2 LYS 44 85.898 12.931 6.419 360 HD3 LYS 44 HD1 LYS 44 86.301 11.264 6.831 361 HE2 LYS 44 HE2 LYS 44 84.880 10.437 5.021 362 HE3 LYS 44 HE1 LYS 44 84.373 12.082 4.639 363 HZ1 LYS 44 HZ1 LYS 44 86.905 10.744 4.099 364 HZ2 LYS 44 HZ2 LYS 44 86.984 12.390 4.512 365 HZ3 LYS 44 HZ3 LYS 44 86.065 11.891 3.173 366 H LYS 45 HN LYS 45 83.439 11.229 10.292 367 HA LYS 45 HA LYS 45 83.854 10.109 12.840 368 HB2 LYS 45 HB2 LYS 45 81.190 10.817 11.572 369 HB3 LYS 45 HB1 LYS 45 81.508 10.672 13.301 370 HG2 LYS 45 HG2 LYS 45 83.282 12.470 13.009 371 HG3 LYS 45 HG1 LYS 45 82.645 12.719 11.383 372 HD2 LYS 45 HD2 LYS 45 80.974 12.880 13.907 373 HD3 LYS 45 HD1 LYS 45 81.658 14.280 13.080 374 HE2 LYS 45 HE2 LYS 45 80.467 13.392 10.973 375 HE3 LYS 45 HE1 LYS 45 79.557 12.359 12.076 376 HZ1 LYS 45 HZ1 LYS 45 79.276 15.150 11.570 377 HZ2 LYS 45 HZ2 LYS 45 79.493 14.840 13.227 378 HZ3 LYS 45 HZ3 LYS 45 78.226 14.091 12.379 379 H GLY 46 HN GLY 46 82.484 8.669 9.979 380 HA2 GLY 46 HA2 GLY 46 82.017 6.386 9.589 381 HA3 GLY 46 HA1 GLY 46 82.473 6.049 11.260 382 H VAL 47 HN VAL 47 80.795 7.243 12.854 383 HA VAL 47 HA VAL 47 78.371 5.863 12.764 384 HB VAL 47 HB VAL 47 78.954 8.588 13.958 385 HG11 VAL 47 HG11 VAL 47 76.573 6.743 14.203 386 HG12 VAL 47 HG12 VAL 47 76.583 8.461 13.804 387 HG13 VAL 47 HG13 VAL 47 76.963 7.934 15.444 388 HG21 VAL 47 HG21 VAL 47 80.292 6.611 14.766 389 HG22 VAL 47 HG22 VAL 47 78.776 5.848 15.247 390 HG23 VAL 47 HG23 VAL 47 79.292 7.350 16.016 391 H GLN 48 HN GLN 48 76.221 6.476 12.107 392 HA GLN 48 HA GLN 48 75.959 7.586 9.546 393 HB2 GLN 48 HB2 GLN 48 73.578 7.716 9.975 394 HB3 GLN 48 HB1 GLN 48 74.199 6.276 10.779 395 HG2 GLN 48 HG2 GLN 48 72.971 7.185 12.517 396 HG3 GLN 48 HG1 GLN 48 74.521 7.976 12.805 397 HE21 GLN 48 HE21 GLN 48 71.849 8.615 10.453 398 HE22 GLN 48 HE22 GLN 48 71.689 10.254 10.863 399 H GLY 49 HN GLY 49 76.046 9.651 8.787 400 HA2 GLY 49 HA2 GLY 49 75.359 11.905 10.569 401 HA3 GLY 49 HA1 GLY 49 77.018 11.867 9.970 402 H1U RCY 50 H1U RCY 50 79.696 7.612 3.292 403 H1S RCY 50 H1S RCY 50 77.062 9.660 4.533 404 HB1 RCY 50 HB1 RCY 50 77.124 12.743 4.375 405 HB2 RCY 50 HB2 RCY 50 76.134 11.288 4.297 406 HA RCY 50 HA RCY 50 75.919 13.558 6.105 407 HN1 RCY 50 HN1 RCY 50 76.975 11.286 7.424 408 H GLY 51 HN GLY 51 74.841 10.403 4.938 409 HA2 GLY 51 HA2 GLY 51 72.683 10.007 3.959 410 HA3 GLY 51 HA1 GLY 51 72.328 9.948 5.683 411 H ASP 52 HN ASP 52 73.106 12.758 3.613 412 HA ASP 52 HA ASP 52 70.335 13.719 3.778 413 HB2 ASP 52 HB2 ASP 52 71.325 14.365 5.980 414 HB3 ASP 52 HB1 ASP 52 72.557 15.287 5.119 415 H ASP 53 HN ASP 53 73.613 13.982 2.636 416 HA ASP 53 HA ASP 53 73.485 16.355 1.114 417 HB2 ASP 53 HB2 ASP 53 75.483 14.776 1.455 418 HB3 ASP 53 HB1 ASP 53 74.813 13.824 0.130 419 H ILE 54 HN ILE 54 73.719 15.813 -1.557 420 HA ILE 54 HA ILE 54 71.141 14.469 -2.288 421 HB ILE 54 HB ILE 54 72.259 17.029 -3.477 422 HG12 ILE 54 HG12 ILE 54 69.748 16.663 -1.824 423 HG13 ILE 54 HG11 ILE 54 71.287 17.160 -1.120 424 HG21 ILE 54 HG21 ILE 54 71.040 15.820 -5.153 425 HG22 ILE 54 HG22 ILE 54 69.948 17.063 -4.542 426 HG23 ILE 54 HG23 ILE 54 69.769 15.391 -4.009 427 HD11 ILE 54 HD11 ILE 54 70.050 18.614 -3.463 428 HD12 ILE 54 HD12 ILE 54 71.340 19.170 -2.397 429 HD13 ILE 54 HD13 ILE 54 69.687 19.047 -1.792 430 HA PRO 55 HA PRO 55 74.554 12.844 -4.929 431 HB2 PRO 55 HB2 PRO 55 74.373 10.239 -4.257 432 HB3 PRO 55 HB1 PRO 55 75.210 11.412 -3.220 433 HG2 PRO 55 HG2 PRO 55 72.536 10.179 -2.895 434 HG3 PRO 55 HG1 PRO 55 73.717 10.663 -1.668 435 HD2 PRO 55 HD2 PRO 55 71.441 12.140 -2.454 436 HD3 PRO 55 HD1 PRO 55 72.796 12.743 -1.475 437 H GLY 56 HN GLY 56 71.460 11.112 -4.368 438 HA2 GLY 56 HA2 GLY 56 71.396 10.334 -7.224 439 HA3 GLY 56 HA1 GLY 56 70.289 9.762 -5.976 440 H MET 57 HN MET 57 69.689 12.426 -4.939 441 HA MET 57 HA MET 57 68.282 14.258 -5.385 442 HB2 MET 57 HB2 MET 57 69.881 14.233 -7.560 443 HB3 MET 57 HB1 MET 57 68.354 13.826 -8.339 444 HG2 MET 57 HG2 MET 57 68.813 16.215 -6.525 445 HG3 MET 57 HG1 MET 57 68.707 16.274 -8.285 446 HE1 MET 57 HE1 MET 57 66.781 16.547 -9.568 447 HE2 MET 57 HE2 MET 57 65.172 15.911 -9.233 448 HE3 MET 57 HE3 MET 57 66.526 14.802 -9.442 449 H GLU 58 HN GLU 58 67.200 11.742 -4.832 450 HA GLU 58 HA GLU 58 64.532 12.042 -5.903 451 HB2 GLU 58 HB2 GLU 58 65.772 10.930 -7.820 452 HB3 GLU 58 HB1 GLU 58 66.004 9.538 -6.762 453 HG2 GLU 58 HG2 GLU 58 63.476 9.540 -6.420 454 HG3 GLU 58 HG1 GLU 58 63.390 10.694 -7.752 455 H GLY 59 HN GLY 59 66.877 9.869 -4.348 456 HA2 GLY 59 HA2 GLY 59 66.685 8.744 -2.287 457 HA3 GLY 59 HA1 GLY 59 65.137 9.554 -2.042 458 H1U RCY 60 H1U RCY 60 71.135 6.365 -1.410 459 H1S RCY 60 H1S RCY 60 68.699 3.291 -4.227 460 HB1 RCY 60 HB1 RCY 60 65.299 3.290 -2.432 461 HB2 RCY 60 HB2 RCY 60 66.602 4.453 -2.197 462 HA RCY 60 HA RCY 60 64.458 5.333 -4.041 463 HN1 RCY 60 HN1 RCY 60 66.282 6.584 -2.118 464 H GLY 61 HN GLY 61 64.405 6.282 -0.704 465 HA2 GLY 61 HA2 GLY 61 61.708 6.205 -0.247 466 HA3 GLY 61 HA1 GLY 61 62.176 4.524 0.020 467 H THR 62 HN THR 62 63.878 7.562 0.788 468 HA THR 62 HA THR 62 64.871 8.262 2.792 469 HB THR 62 HB THR 62 63.358 7.801 4.848 470 HG1 THR 62 HG1 THR 62 61.461 7.174 2.876 471 HG21 THR 62 HG21 THR 62 63.355 9.931 3.657 472 HG22 THR 62 HG22 THR 62 61.696 9.474 4.044 473 HG23 THR 62 HG23 THR 62 62.311 9.258 2.405 474 H ASP 63 HN ASP 63 64.720 5.093 1.965 475 HA ASP 63 HA ASP 63 65.516 3.807 4.430 476 HB2 ASP 63 HB2 ASP 63 66.369 2.013 2.803 477 HB3 ASP 63 HB1 ASP 63 64.645 2.381 2.731 478 H ILE 64 HN ILE 64 67.004 6.186 4.098 479 HA ILE 64 HA ILE 64 69.667 5.284 4.566 480 HB ILE 64 HB ILE 64 69.801 4.812 2.193 481 HG12 ILE 64 HG12 ILE 64 71.057 7.540 2.569 482 HG13 ILE 64 HG11 ILE 64 71.690 6.092 3.353 483 HG21 ILE 64 HG21 ILE 64 69.222 6.463 0.502 484 HG22 ILE 64 HG22 ILE 64 68.873 7.665 1.745 485 HG23 ILE 64 HG23 ILE 64 67.839 6.246 1.575 486 HD11 ILE 64 HD11 ILE 64 72.897 6.424 1.272 487 HD12 ILE 64 HD12 ILE 64 71.386 6.552 0.372 488 HD13 ILE 64 HD13 ILE 64 71.855 5.013 1.093 489 H THR 65 HN THR 65 67.547 7.854 3.512 490 HA THR 65 HA THR 65 69.079 10.135 3.957 491 HB THR 65 HB THR 65 66.214 9.732 4.877 492 HG1 THR 65 HG1 THR 65 65.726 10.495 2.805 493 HG21 THR 65 HG21 THR 65 66.982 11.780 5.788 494 HG22 THR 65 HG22 THR 65 66.164 12.239 4.295 495 HG23 THR 65 HG23 THR 65 67.925 12.161 4.347 496 H VAL 66 HN VAL 66 68.292 7.692 6.204 497 HA VAL 66 HA VAL 66 69.691 9.170 8.327 498 HB VAL 66 HB VAL 66 67.820 8.597 9.972 499 HG11 VAL 66 HG11 VAL 66 67.056 10.565 7.799 500 HG12 VAL 66 HG12 VAL 66 68.304 10.889 9.003 501 HG13 VAL 66 HG13 VAL 66 66.633 10.641 9.510 502 HG21 VAL 66 HG21 VAL 66 66.379 8.193 7.335 503 HG22 VAL 66 HG22 VAL 66 65.548 8.443 8.870 504 HG23 VAL 66 HG23 VAL 66 66.563 7.020 8.639 505 H ILE 67 HN ILE 67 67.813 6.198 7.600 506 HA ILE 67 HA ILE 67 70.066 4.643 8.792 507 HB ILE 67 HB ILE 67 67.151 4.012 9.314 508 HG12 ILE 67 HG12 ILE 67 69.195 5.398 11.079 509 HG13 ILE 67 HG11 ILE 67 67.731 6.125 10.416 510 HG21 ILE 67 HG21 ILE 67 68.021 2.408 10.883 511 HG22 ILE 67 HG22 ILE 67 69.661 3.028 10.694 512 HG23 ILE 67 HG23 ILE 67 68.887 2.164 9.366 513 HD11 ILE 67 HD11 ILE 67 66.420 4.317 11.627 514 HD12 ILE 67 HD12 ILE 67 67.215 5.493 12.673 515 HD13 ILE 67 HD13 ILE 67 67.921 3.892 12.450 516 H1U RCY 68 H1U RCY 68 73.522 3.454 -0.568 517 H1S RCY 68 H1S RCY 68 72.830 4.430 3.353 518 HB1 RCY 68 HB1 RCY 68 70.414 3.630 3.877 519 HB2 RCY 68 HB2 RCY 68 70.914 1.950 3.738 520 HA RCY 68 HA RCY 68 68.776 2.455 5.104 521 HN1 RCY 68 HN1 RCY 68 70.796 3.607 6.962 522 HA PRO 69 HA PRO 69 68.852 -1.762 6.325 523 HB2 PRO 69 HB2 PRO 69 70.360 -2.192 3.759 524 HB3 PRO 69 HB1 PRO 69 69.011 -3.127 4.437 525 HG2 PRO 69 HG2 PRO 69 68.676 -1.274 2.509 526 HG3 PRO 69 HG1 PRO 69 67.442 -1.628 3.726 527 HD2 PRO 69 HD2 PRO 69 69.040 0.804 3.400 528 HD3 PRO 69 HD1 PRO 69 67.622 0.531 4.436 529 H TRP 70 HN TRP 70 71.888 -0.355 5.148 530 HA TRP 70 HA TRP 70 73.649 -2.364 6.158 531 HD1 TRP 70 HD1 TRP 70 75.670 -2.370 7.321 532 HE1 TRP 70 HE1 TRP 70 77.865 -1.569 8.407 533 HE3 TRP 70 HE3 TRP 70 75.884 2.385 5.472 534 HZ2 TRP 70 HZ2 TRP 70 79.500 0.782 8.483 535 HZ3 TRP 70 HZ3 TRP 70 77.765 3.880 6.065 536 HH2 TRP 70 HH2 TRP 70 79.571 3.089 7.566 537 HB2 TRP 70 HB2 TRP 70 74.610 -0.772 4.682 538 HB3 TRP 70 HB1 TRP 70 73.983 0.589 5.611 539 H GLU 71 HN GLU 71 72.805 0.798 7.618 540 HA GLU 71 HA GLU 71 74.031 0.430 10.108 541 HB2 GLU 71 HB2 GLU 71 71.517 1.888 9.290 542 HB3 GLU 71 HB1 GLU 71 72.064 1.888 10.968 543 HG2 GLU 71 HG2 GLU 71 74.247 2.793 10.262 544 HG3 GLU 71 HG1 GLU 71 73.707 2.791 8.582 545 H ALA 72 HN ALA 72 70.945 -0.846 8.944 546 HA ALA 72 HA ALA 72 70.179 -1.916 11.544 547 HB1 ALA 72 HB1 ALA 72 68.436 -1.377 9.947 548 HB2 ALA 72 HB2 ALA 72 68.428 -3.122 10.205 549 HB3 ALA 72 HB3 ALA 72 69.151 -2.450 8.744 550 H1U RCY 73 H1U RCY 73 75.911 -2.323 4.122 551 H1S RCY 73 H1S RCY 73 73.214 -6.278 4.863 552 HB1 RCY 73 HB1 RCY 73 73.799 -5.996 7.907 553 HB2 RCY 73 HB2 RCY 73 73.325 -4.333 7.560 554 HA RCY 73 HA RCY 73 71.533 -6.025 9.271 555 HN1 RCY 73 HN1 RCY 73 71.493 -3.327 8.533 556 H ASN 74 HN ASN 74 74.101 -3.608 9.904 557 HA ASN 74 HA ASN 74 75.668 -3.520 11.649 558 HB2 ASN 74 HB2 ASN 74 73.534 -4.350 12.951 559 HB3 ASN 74 HB1 ASN 74 74.382 -5.895 12.975 560 HD21 ASN 74 HD21 ASN 74 76.731 -5.765 13.828 561 HD22 ASN 74 HD22 ASN 74 77.041 -4.663 15.081 562 H HIS 75 HN HIS 75 74.921 -6.492 10.013 563 HA HIS 75 HA HIS 75 77.220 -7.999 10.880 564 HD1 HIS 75 HD1 HIS 75 76.210 -10.316 11.447 565 HD2 HIS 75 HD2 HIS 75 77.664 -10.578 7.546 566 HE1 HIS 75 HE1 HIS 75 77.470 -12.508 11.299 567 HE2 HIS 75 HE2 HIS 75 78.360 -12.680 8.929 568 HB2 HIS 75 HB2 HIS 75 75.018 -8.692 9.527 569 HB3 HIS 75 HB1 HIS 75 76.067 -8.401 8.142 570 H1U RCY 76 H1U RCY 76 78.629 -4.140 1.555 571 H1S RCY 76 H1S RCY 76 80.793 -2.695 5.206 572 HB1 RCY 76 HB1 RCY 76 78.367 -3.084 8.991 573 HB2 RCY 76 HB2 RCY 76 77.785 -3.427 7.364 574 HA RCY 76 HA RCY 76 79.042 -5.466 7.252 575 HN1 RCY 76 HN1 RCY 76 77.270 -5.109 9.513 576 H GLU 77 HN GLU 77 79.760 -3.897 10.396 577 HA GLU 77 HA GLU 77 82.592 -4.206 10.124 578 HB2 GLU 77 HB2 GLU 77 80.778 -3.677 12.479 579 HB3 GLU 77 HB1 GLU 77 82.520 -3.856 12.688 580 HG2 GLU 77 HG2 GLU 77 81.872 -1.480 12.393 581 HG3 GLU 77 HG1 GLU 77 82.923 -2.038 11.090 582 H LEU 78 HN LEU 78 82.884 -6.426 9.509 583 HA LEU 78 HA LEU 78 83.416 -8.200 11.715 584 HG LEU 78 HG LEU 78 82.768 -10.677 11.242 585 HB2 LEU 78 HB2 LEU 78 80.874 -8.353 11.476 586 HB3 LEU 78 HB1 LEU 78 81.161 -9.085 9.898 587 HD11 LEU 78 HD11 LEU 78 81.871 -11.084 13.547 588 HD12 LEU 78 HD12 LEU 78 80.884 -9.633 13.377 589 HD13 LEU 78 HD13 LEU 78 82.643 -9.508 13.373 590 HD21 LEU 78 HD21 LEU 78 79.741 -10.778 11.258 591 HD22 LEU 78 HD22 LEU 78 80.741 -12.135 11.777 592 HD23 LEU 78 HD23 LEU 78 80.840 -11.551 10.115 593 H HIS 79 HN HIS 79 82.704 -7.962 8.247 594 HA HIS 79 HA HIS 79 85.307 -8.989 7.525 595 HD1 HIS 79 HD1 HIS 79 83.830 -11.552 4.576 596 HD2 HIS 79 HD2 HIS 79 80.969 -10.362 7.368 597 HE1 HIS 79 HE1 HIS 79 81.580 -11.766 3.431 598 HE2 HIS 79 HE2 HIS 79 79.830 -11.045 5.120 599 HB2 HIS 79 HB2 HIS 79 84.838 -11.157 6.852 600 HB3 HIS 79 HB1 HIS 79 83.723 -11.034 8.211 601 H GLU 80 HN GLU 80 82.380 -7.485 6.940 602 HA GLU 80 HA GLU 80 82.553 -7.516 4.004 603 HB2 GLU 80 HB2 GLU 80 80.760 -6.000 5.920 604 HB3 GLU 80 HB1 GLU 80 80.598 -5.970 4.164 605 HG2 GLU 80 HG2 GLU 80 80.417 -8.507 4.258 606 HG3 GLU 80 HG1 GLU 80 80.266 -8.346 6.008 607 H LEU 81 HN LEU 81 83.636 -5.568 6.665 608 HA LEU 81 HA LEU 81 83.915 -3.044 5.429 609 HG LEU 81 HG LEU 81 85.970 -5.550 6.861 610 HB2 LEU 81 HB2 LEU 81 85.951 -2.812 6.962 611 HB3 LEU 81 HB1 LEU 81 84.425 -3.195 7.758 612 HD11 LEU 81 HD11 LEU 81 86.967 -3.781 9.116 613 HD12 LEU 81 HD12 LEU 81 87.814 -4.098 7.603 614 HD13 LEU 81 HD13 LEU 81 87.556 -5.404 8.759 615 HD21 LEU 81 HD21 LEU 81 85.068 -6.498 8.811 616 HD22 LEU 81 HD22 LEU 81 83.828 -5.333 8.349 617 HD23 LEU 81 HD23 LEU 81 84.969 -4.942 9.635 618 H ALA 82 HN ALA 82 85.190 -5.961 4.406 619 HA ALA 82 HA ALA 82 87.815 -5.477 3.602 620 HB1 ALA 82 HB1 ALA 82 86.360 -7.565 3.189 621 HB2 ALA 82 HB2 ALA 82 87.508 -7.129 1.922 622 HB3 ALA 82 HB3 ALA 82 85.798 -6.735 1.737 623 H GLN 83 HN GLN 83 88.752 -4.486 1.739 624 HA GLN 83 HA GLN 83 87.869 -1.987 0.961 625 HB2 GLN 83 HB2 GLN 83 89.125 -3.739 -1.138 626 HB3 GLN 83 HB1 GLN 83 89.447 -2.046 -0.762 627 HG2 GLN 83 HG2 GLN 83 91.322 -3.094 0.156 628 HG3 GLN 83 HG1 GLN 83 90.249 -2.998 1.552 629 HE21 GLN 83 HE21 GLN 83 90.509 -5.263 -1.259 630 HE22 GLN 83 HE22 GLN 83 90.492 -6.669 -0.308 631 H TYR 84 HN TYR 84 87.321 -4.948 -0.974 632 HA TYR 84 HA TYR 84 84.594 -4.090 -1.608 633 HD1 TYR 84 HD2 TYR 84 84.379 -1.568 -2.938 634 HD2 TYR 84 HD1 TYR 84 88.387 -3.054 -3.356 635 HE1 TYR 84 HE2 TYR 84 85.264 0.722 -2.587 636 HE2 TYR 84 HE1 TYR 84 89.273 -0.764 -3.005 637 HH TYR 84 HH TYR 84 87.774 1.867 -3.416 638 HB2 TYR 84 HB2 TYR 84 86.516 -4.445 -3.916 639 HB3 TYR 84 HB1 TYR 84 84.877 -3.803 -3.959 640 H GLY 85 HN GLY 85 86.337 -6.400 -0.547 641 HA2 GLY 85 HA2 GLY 85 86.305 -8.606 -2.294 642 HA3 GLY 85 HA1 GLY 85 86.151 -8.739 -0.543 643 H ILE 86 HN ILE 86 83.763 -7.698 0.064 644 HA ILE 86 HA ILE 86 81.922 -9.594 -1.223 645 HB ILE 86 HB ILE 86 80.373 -9.095 0.550 646 HG12 ILE 86 HG12 ILE 86 80.447 -6.704 0.639 647 HG13 ILE 86 HG11 ILE 86 81.007 -7.259 2.217 648 HG21 ILE 86 HG21 ILE 86 83.119 -8.925 1.809 649 HG22 ILE 86 HG22 ILE 86 82.505 -10.404 1.071 650 HG23 ILE 86 HG23 ILE 86 81.676 -9.702 2.461 651 HD11 ILE 86 HD11 ILE 86 83.371 -7.086 1.342 652 HD12 ILE 86 HD12 ILE 86 82.531 -5.541 1.478 653 HD13 ILE 86 HD13 ILE 86 82.713 -6.309 -0.099 654 H1U RCY 87 H1U RCY 87 81.073 -0.514 -2.002 655 H1S RCY 87 H1S RCY 87 81.371 -4.916 -3.268 656 HB1 RCY 87 HB1 RCY 87 81.148 -6.345 -6.016 657 HB2 RCY 87 HB2 RCY 87 82.383 -7.382 -5.308 658 HA RCY 87 HA RCY 87 80.791 -5.715 -3.420 659 HN1 RCY 87 HN1 RCY 87 82.296 -8.216 -3.287 Start of MODEL 48 1 HA MET 1 HA MET 1 61.059 -7.158 -19.193 2 HB2 MET 1 HB2 MET 1 59.050 -9.184 -20.227 3 HB3 MET 1 HB1 MET 1 59.663 -9.093 -18.576 4 HG2 MET 1 HG2 MET 1 57.575 -7.951 -18.526 5 HG3 MET 1 HG1 MET 1 58.797 -6.679 -18.550 6 HE1 MET 1 HE1 MET 1 55.370 -6.056 -20.771 7 HE2 MET 1 HE2 MET 1 56.077 -5.725 -19.191 8 HE3 MET 1 HE3 MET 1 55.551 -7.359 -19.589 9 H ASN 2 HN ASN 2 62.818 -8.412 -18.717 10 HA ASN 2 HA ASN 2 63.544 -10.594 -20.636 11 HB2 ASN 2 HB2 ASN 2 65.415 -8.582 -19.345 12 HB3 ASN 2 HB1 ASN 2 65.915 -9.939 -20.355 13 HD21 ASN 2 HD21 ASN 2 63.367 -7.384 -20.644 14 HD22 ASN 2 HD22 ASN 2 63.783 -6.951 -22.232 15 H LEU 3 HN LEU 3 66.036 -10.523 -18.634 16 HA LEU 3 HA LEU 3 65.425 -12.841 -17.187 17 HG LEU 3 HG LEU 3 67.667 -13.461 -17.437 18 HB2 LEU 3 HB2 LEU 3 67.320 -10.558 -16.621 19 HB3 LEU 3 HB1 LEU 3 67.198 -11.936 -15.526 20 HD11 LEU 3 HD11 LEU 3 67.824 -10.821 -18.891 21 HD12 LEU 3 HD12 LEU 3 66.923 -12.269 -19.340 22 HD13 LEU 3 HD13 LEU 3 68.681 -12.243 -19.485 23 HD21 LEU 3 HD21 LEU 3 69.741 -11.267 -17.118 24 HD22 LEU 3 HD22 LEU 3 70.046 -12.934 -17.606 25 HD23 LEU 3 HD23 LEU 3 69.493 -12.583 -15.969 26 H GLU 4 HN GLU 4 64.176 -13.253 -15.413 27 HA GLU 4 HA GLU 4 62.696 -11.004 -14.215 28 HB2 GLU 4 HB2 GLU 4 61.420 -12.805 -13.061 29 HB3 GLU 4 HB1 GLU 4 61.451 -13.022 -14.809 30 HG2 GLU 4 HG2 GLU 4 62.195 -15.119 -14.381 31 HG3 GLU 4 HG1 GLU 4 63.735 -14.358 -13.980 32 HA PRO 5 HA PRO 5 65.096 -10.227 -10.595 33 HB2 PRO 5 HB2 PRO 5 62.629 -11.096 -9.121 34 HB3 PRO 5 HB1 PRO 5 63.656 -9.674 -8.851 35 HG2 PRO 5 HG2 PRO 5 61.316 -9.527 -10.156 36 HG3 PRO 5 HG1 PRO 5 62.694 -8.488 -10.552 37 HD2 PRO 5 HD2 PRO 5 61.522 -10.685 -12.127 38 HD3 PRO 5 HD1 PRO 5 62.618 -9.388 -12.650 39 HA PRO 6 HA PRO 6 66.267 -14.482 -9.614 40 HB2 PRO 6 HB2 PRO 6 68.594 -13.947 -8.323 41 HB3 PRO 6 HB1 PRO 6 68.435 -13.808 -10.086 42 HG2 PRO 6 HG2 PRO 6 68.408 -11.667 -8.019 43 HG3 PRO 6 HG1 PRO 6 69.148 -11.675 -9.628 44 HD2 PRO 6 HD2 PRO 6 66.732 -10.459 -9.051 45 HD3 PRO 6 HD1 PRO 6 67.197 -11.028 -10.669 46 H LYS 7 HN LYS 7 65.583 -15.719 -7.904 47 HA LYS 7 HA LYS 7 64.703 -16.208 -5.780 48 HB2 LYS 7 HB2 LYS 7 67.401 -15.302 -5.553 49 HB3 LYS 7 HB1 LYS 7 66.516 -14.640 -4.180 50 HG2 LYS 7 HG2 LYS 7 65.705 -16.859 -3.576 51 HG3 LYS 7 HG1 LYS 7 66.455 -17.557 -5.012 52 HD2 LYS 7 HD2 LYS 7 67.986 -16.128 -2.820 53 HD3 LYS 7 HD1 LYS 7 67.814 -17.880 -2.927 54 HE2 LYS 7 HE2 LYS 7 68.679 -17.451 -5.412 55 HE3 LYS 7 HE1 LYS 7 69.384 -16.019 -4.661 56 HZ1 LYS 7 HZ1 LYS 7 71.015 -17.583 -4.342 57 HZ2 LYS 7 HZ2 LYS 7 69.916 -18.858 -4.111 58 HZ3 LYS 7 HZ3 LYS 7 70.158 -17.709 -2.883 59 H ALA 8 HN ALA 8 64.599 -14.688 -3.423 60 HA ALA 8 HA ALA 8 63.212 -13.073 -2.428 61 HB1 ALA 8 HB1 ALA 8 65.062 -11.653 -3.480 62 HB2 ALA 8 HB2 ALA 8 63.536 -10.824 -3.172 63 HB3 ALA 8 HB3 ALA 8 63.940 -11.349 -4.806 64 H GLU 9 HN GLU 9 61.490 -14.676 -3.298 65 HA GLU 9 HA GLU 9 59.839 -13.491 -5.469 66 HB2 GLU 9 HB2 GLU 9 60.420 -15.996 -5.321 67 HB3 GLU 9 HB1 GLU 9 59.276 -16.060 -3.980 68 HG2 GLU 9 HG2 GLU 9 58.024 -16.624 -5.938 69 HG3 GLU 9 HG1 GLU 9 57.583 -14.963 -5.542 70 H1U RCY 10 H1U RCY 10 56.830 -7.812 0.230 71 H1S RCY 10 H1S RCY 10 54.961 -11.343 -0.916 72 HB1 RCY 10 HB1 RCY 10 58.138 -12.141 -0.015 73 HB2 RCY 10 HB2 RCY 10 58.516 -13.539 -1.019 74 HA RCY 10 HA RCY 10 57.033 -11.701 -2.627 75 HN1 RCY 10 HN1 RCY 10 59.797 -11.851 -3.302 76 H ARG 11 HN ARG 11 56.758 -9.548 -2.316 77 HA ARG 11 HA ARG 11 58.523 -8.040 -0.542 78 HE ARG 11 HE ARG 11 58.398 -5.258 -4.032 79 HB2 ARG 11 HB2 ARG 11 58.975 -6.345 -2.473 80 HB3 ARG 11 HB1 ARG 11 59.969 -7.799 -2.383 81 HG2 ARG 11 HG2 ARG 11 58.719 -8.880 -4.106 82 HG3 ARG 11 HG1 ARG 11 57.438 -7.670 -4.032 83 HD2 ARG 11 HD2 ARG 11 60.296 -7.088 -4.858 84 HD3 ARG 11 HD1 ARG 11 58.964 -7.345 -5.985 85 HH11 ARG 11 HH21 ARG 11 59.912 -6.092 -7.015 86 HH12 ARG 11 HH22 ARG 11 59.824 -4.487 -7.662 87 HH21 ARG 11 HH11 ARG 11 58.274 -3.158 -4.859 88 HH22 ARG 11 HH12 ARG 11 58.897 -2.826 -6.441 89 H SER 12 HN SER 12 55.938 -8.352 -0.065 90 HA SER 12 HA SER 12 54.332 -6.263 -1.375 91 HG SER 12 HG SER 12 52.315 -8.999 -0.730 92 HB2 SER 12 HB2 SER 12 53.779 -8.238 0.848 93 HB3 SER 12 HB1 SER 12 52.619 -7.000 0.376 94 H ALA 13 HN ALA 13 55.973 -6.798 1.714 95 HA ALA 13 HA ALA 13 55.829 -3.892 2.240 96 HB1 ALA 13 HB1 ALA 13 54.844 -4.094 4.406 97 HB2 ALA 13 HB2 ALA 13 54.978 -5.852 4.381 98 HB3 ALA 13 HB3 ALA 13 53.817 -5.042 3.331 99 H THR 14 HN THR 14 56.906 -3.874 4.790 100 HA THR 14 HA THR 14 59.103 -5.757 5.039 101 HB THR 14 HB THR 14 59.815 -2.915 4.250 102 HG1 THR 14 HG1 THR 14 58.975 -4.122 2.503 103 HG21 THR 14 HG21 THR 14 62.055 -4.328 3.891 104 HG22 THR 14 HG22 THR 14 61.318 -5.336 5.136 105 HG23 THR 14 HG23 THR 14 61.641 -3.633 5.458 106 H ARG 15 HN ARG 15 56.956 -4.562 6.677 107 HA ARG 15 HA ARG 15 56.699 -3.791 8.879 108 HE ARG 15 HE ARG 15 55.493 -5.313 9.572 109 HB2 ARG 15 HB2 ARG 15 59.694 -4.097 9.126 110 HB3 ARG 15 HB1 ARG 15 58.498 -4.154 10.417 111 HG2 ARG 15 HG2 ARG 15 58.416 -6.118 8.127 112 HG3 ARG 15 HG1 ARG 15 59.419 -6.411 9.549 113 HD2 ARG 15 HD2 ARG 15 57.353 -7.481 10.033 114 HD3 ARG 15 HD1 ARG 15 57.300 -5.965 10.932 115 HH11 ARG 15 HH21 ARG 15 57.372 -7.803 8.105 116 HH12 ARG 15 HH22 ARG 15 56.306 -7.994 6.753 117 HH21 ARG 15 HH11 ARG 15 54.090 -5.548 7.816 118 HH22 ARG 15 HH12 ARG 15 54.448 -6.717 6.589 119 H VAL 16 HN VAL 16 58.936 -2.327 10.240 120 HA VAL 16 HA VAL 16 59.480 -0.093 10.578 121 HB VAL 16 HB VAL 16 60.851 0.627 8.927 122 HG11 VAL 16 HG11 VAL 16 59.764 -1.381 6.981 123 HG12 VAL 16 HG12 VAL 16 60.530 -1.957 8.462 124 HG13 VAL 16 HG13 VAL 16 61.441 -0.958 7.330 125 HG21 VAL 16 HG21 VAL 16 59.045 1.981 8.000 126 HG22 VAL 16 HG22 VAL 16 58.393 0.582 7.147 127 HG23 VAL 16 HG23 VAL 16 59.952 1.256 6.673 128 H MET 17 HN MET 17 58.563 2.073 10.524 129 HA MET 17 HA MET 17 56.190 2.695 9.021 130 HB2 MET 17 HB2 MET 17 55.611 0.919 10.999 131 HB3 MET 17 HB1 MET 17 55.435 2.430 11.888 132 HG2 MET 17 HG2 MET 17 54.068 1.774 9.261 133 HG3 MET 17 HG1 MET 17 53.296 1.752 10.847 134 HE1 MET 17 HE1 MET 17 51.676 2.965 9.516 135 HE2 MET 17 HE2 MET 17 51.587 4.721 9.405 136 HE3 MET 17 HE3 MET 17 51.520 3.940 10.983 137 H GLY 18 HN GLY 18 58.691 3.947 9.766 138 HA2 GLY 18 HA2 GLY 18 58.302 5.878 11.863 139 HA3 GLY 18 HA1 GLY 18 59.501 6.000 10.574 140 H GLY 19 HN GLY 19 55.969 6.316 11.058 141 HA2 GLY 19 HA2 GLY 19 54.431 7.742 9.995 142 HA3 GLY 19 HA1 GLY 19 55.717 8.943 10.126 143 HA PRO 20 HA PRO 20 54.655 8.027 5.596 144 HB2 PRO 20 HB2 PRO 20 55.022 10.988 5.560 145 HB3 PRO 20 HB1 PRO 20 53.775 9.996 4.780 146 HG2 PRO 20 HG2 PRO 20 53.249 11.457 6.946 147 HG3 PRO 20 HG1 PRO 20 52.492 9.877 6.680 148 HD2 PRO 20 HD2 PRO 20 54.689 10.617 8.570 149 HD3 PRO 20 HD1 PRO 20 53.409 9.396 8.748 150 H1U RCY 21 H1U RCY 21 65.091 7.756 2.758 151 H1S RCY 21 H1S RCY 21 61.209 9.316 2.236 152 HB1 RCY 21 HB1 RCY 21 58.609 9.946 1.868 153 HB2 RCY 21 HB2 RCY 21 57.339 8.808 2.317 154 HA RCY 21 HA RCY 21 58.896 9.388 4.656 155 HN1 RCY 21 HN1 RCY 21 56.064 10.138 4.034 156 H THR 22 HN THR 22 59.608 11.307 5.541 157 HA THR 22 HA THR 22 59.472 13.709 3.779 158 HB THR 22 HB THR 22 59.178 15.083 5.898 159 HG1 THR 22 HG1 THR 22 58.436 12.537 6.901 160 HG21 THR 22 HG21 THR 22 57.290 14.876 4.460 161 HG22 THR 22 HG22 THR 22 56.698 14.476 6.072 162 HG23 THR 22 HG23 THR 22 57.038 13.191 4.913 163 HA PRO 23 HA PRO 23 63.927 13.114 4.471 164 HB2 PRO 23 HB2 PRO 23 63.807 15.968 3.544 165 HB3 PRO 23 HB1 PRO 23 64.912 14.669 3.048 166 HG2 PRO 23 HG2 PRO 23 62.858 15.405 1.521 167 HG3 PRO 23 HG1 PRO 23 63.359 13.710 1.643 168 HD2 PRO 23 HD2 PRO 23 60.947 15.036 2.771 169 HD3 PRO 23 HD1 PRO 23 61.198 13.332 2.334 170 H ARG 24 HN ARG 24 64.692 13.243 6.544 171 HA ARG 24 HA ARG 24 63.748 15.314 8.371 172 HE ARG 24 HE ARG 24 63.300 14.532 11.159 173 HB2 ARG 24 HB2 ARG 24 65.862 13.164 8.702 174 HB3 ARG 24 HB1 ARG 24 65.283 14.211 9.997 175 HG2 ARG 24 HG2 ARG 24 62.920 13.273 8.979 176 HG3 ARG 24 HG1 ARG 24 63.975 11.880 8.738 177 HD2 ARG 24 HD2 ARG 24 63.068 11.612 10.926 178 HD3 ARG 24 HD1 ARG 24 64.711 12.204 11.169 179 HH11 ARG 24 HH21 ARG 24 62.817 11.473 12.676 180 HH12 ARG 24 HH22 ARG 24 61.997 12.135 14.050 181 HH21 ARG 24 HH11 ARG 24 62.231 15.413 12.945 182 HH22 ARG 24 HH12 ARG 24 61.665 14.366 14.203 183 H LYS 25 HN LYS 25 67.166 14.416 8.236 184 HA LYS 25 HA LYS 25 67.987 17.130 8.599 185 HB2 LYS 25 HB2 LYS 25 70.193 16.347 8.552 186 HB3 LYS 25 HB1 LYS 25 69.297 14.929 9.083 187 HG2 LYS 25 HG2 LYS 25 69.985 15.473 6.180 188 HG3 LYS 25 HG1 LYS 25 70.974 14.469 7.240 189 HD2 LYS 25 HD2 LYS 25 68.805 13.155 7.716 190 HD3 LYS 25 HD1 LYS 25 68.148 13.977 6.300 191 HE2 LYS 25 HE2 LYS 25 69.146 11.754 5.747 192 HE3 LYS 25 HE1 LYS 25 69.932 13.086 4.900 193 HZ1 LYS 25 HZ1 LYS 25 71.148 11.210 6.490 194 HZ2 LYS 25 HZ2 LYS 25 71.123 12.619 7.440 195 HZ3 LYS 25 HZ3 LYS 25 71.844 12.641 5.902 196 H GLY 26 HN GLY 26 68.870 18.612 7.127 197 HA2 GLY 26 HA2 GLY 26 68.779 17.951 4.243 198 HA3 GLY 26 HA1 GLY 26 67.749 19.269 4.802 199 HA PRO 27 HA PRO 27 70.943 22.309 5.140 200 HB2 PRO 27 HB2 PRO 27 71.517 21.770 8.029 201 HB3 PRO 27 HB1 PRO 27 71.111 23.300 7.227 202 HG2 PRO 27 HG2 PRO 27 69.338 21.995 8.719 203 HG3 PRO 27 HG1 PRO 27 68.859 22.873 7.257 204 HD2 PRO 27 HD2 PRO 27 69.098 19.927 7.689 205 HD3 PRO 27 HD1 PRO 27 67.997 20.827 6.622 206 HA PRO 28 HA PRO 28 75.100 20.859 4.687 207 HB2 PRO 28 HB2 PRO 28 75.921 22.038 7.326 208 HB3 PRO 28 HB1 PRO 28 76.731 22.138 5.748 209 HG2 PRO 28 HG2 PRO 28 75.303 24.169 6.692 210 HG3 PRO 28 HG1 PRO 28 75.284 23.759 4.968 211 HD2 PRO 28 HD2 PRO 28 73.159 23.352 7.018 212 HD3 PRO 28 HD1 PRO 28 73.005 23.578 5.261 213 H LYS 29 HN LYS 29 75.760 18.782 4.956 214 HA LYS 29 HA LYS 29 76.484 17.510 7.354 215 HB2 LYS 29 HB2 LYS 29 73.618 17.718 7.058 216 HB3 LYS 29 HB1 LYS 29 74.078 16.024 6.929 217 HG2 LYS 29 HG2 LYS 29 75.156 17.789 9.131 218 HG3 LYS 29 HG1 LYS 29 73.624 16.931 9.298 219 HD2 LYS 29 HD2 LYS 29 74.827 14.798 8.744 220 HD3 LYS 29 HD1 LYS 29 76.344 15.699 8.778 221 HE2 LYS 29 HE2 LYS 29 76.107 14.734 10.953 222 HE3 LYS 29 HE1 LYS 29 75.699 16.440 11.133 223 HZ1 LYS 29 HZ1 LYS 29 73.532 15.984 11.489 224 HZ2 LYS 29 HZ2 LYS 29 74.153 14.496 12.025 225 HZ3 LYS 29 HZ3 LYS 29 73.515 14.637 10.457 226 H1U RCY 30 H1U RCY 30 73.786 8.358 2.502 227 H1S RCY 30 H1S RCY 30 74.904 10.953 5.787 228 HB1 RCY 30 HB1 RCY 30 76.429 12.637 4.086 229 HB2 RCY 30 HB2 RCY 30 75.587 14.159 3.812 230 HA RCY 30 HA RCY 30 78.015 13.651 5.536 231 HN1 RCY 30 HN1 RCY 30 77.238 15.382 6.916 232 H LYS 31 HN LYS 31 77.734 16.798 4.547 233 HA LYS 31 HA LYS 31 78.372 17.948 2.554 234 HB2 LYS 31 HB2 LYS 31 80.831 16.241 2.927 235 HB3 LYS 31 HB1 LYS 31 80.733 17.939 2.455 236 HG2 LYS 31 HG2 LYS 31 79.901 18.534 4.684 237 HG3 LYS 31 HG1 LYS 31 79.935 16.837 5.165 238 HD2 LYS 31 HD2 LYS 31 82.023 17.322 5.925 239 HD3 LYS 31 HD1 LYS 31 82.486 17.180 4.229 240 HE2 LYS 31 HE2 LYS 31 83.348 19.284 4.866 241 HE3 LYS 31 HE1 LYS 31 81.834 19.682 4.055 242 HZ1 LYS 31 HZ1 LYS 31 82.430 20.631 6.423 243 HZ2 LYS 31 HZ2 LYS 31 81.737 19.164 6.928 244 HZ3 LYS 31 HZ3 LYS 31 80.833 20.255 5.991 245 H GLN 32 HN GLN 32 80.538 16.708 0.826 246 HA GLN 32 HA GLN 32 79.505 14.377 -0.463 247 HB2 GLN 32 HB2 GLN 32 77.956 16.648 -0.996 248 HB3 GLN 32 HB1 GLN 32 79.006 16.518 -2.404 249 HG2 GLN 32 HG2 GLN 32 78.318 14.209 -2.764 250 HG3 GLN 32 HG1 GLN 32 77.364 14.228 -1.280 251 HE21 GLN 32 HE21 GLN 32 75.722 16.254 -1.284 252 HE22 GLN 32 HE22 GLN 32 74.859 16.456 -2.731 253 H ARG 33 HN ARG 33 80.519 14.227 -2.779 254 HA ARG 33 HA ARG 33 83.047 15.804 -2.937 255 HE ARG 33 HE ARG 33 86.964 14.269 -0.852 256 HB2 ARG 33 HB2 ARG 33 82.757 12.793 -2.924 257 HB3 ARG 33 HB1 ARG 33 84.168 13.592 -3.616 258 HG2 ARG 33 HG2 ARG 33 83.195 14.084 -0.789 259 HG3 ARG 33 HG1 ARG 33 84.443 12.905 -1.197 260 HD2 ARG 33 HD2 ARG 33 85.449 15.029 -2.498 261 HD3 ARG 33 HD1 ARG 33 84.564 15.882 -1.233 262 HH11 ARG 33 HH21 ARG 33 84.045 15.494 0.514 263 HH12 ARG 33 HH22 ARG 33 84.621 15.420 2.146 264 HH21 ARG 33 HH11 ARG 33 87.732 14.164 1.272 265 HH22 ARG 33 HH12 ARG 33 86.708 14.667 2.575 266 H GLN 34 HN GLN 34 81.374 16.729 -4.583 267 HA GLN 34 HA GLN 34 80.787 15.183 -6.949 268 HB2 GLN 34 HB2 GLN 34 79.673 17.377 -6.053 269 HB3 GLN 34 HB1 GLN 34 80.963 18.191 -6.938 270 HG2 GLN 34 HG2 GLN 34 79.124 18.026 -8.460 271 HG3 GLN 34 HG1 GLN 34 80.282 16.793 -8.960 272 HE21 GLN 34 HE21 GLN 34 78.866 15.177 -9.760 273 HE22 GLN 34 HE22 GLN 34 77.655 14.442 -8.824 274 H THR 35 HN THR 35 83.701 15.624 -5.931 275 HA THR 35 HA THR 35 84.843 16.639 -8.506 276 HB THR 35 HB THR 35 85.559 17.781 -6.380 277 HG1 THR 35 HG1 THR 35 86.980 16.961 -8.385 278 HG21 THR 35 HG21 THR 35 86.785 16.635 -4.723 279 HG22 THR 35 HG22 THR 35 87.073 15.246 -5.772 280 HG23 THR 35 HG23 THR 35 85.465 15.530 -5.105 281 H ARG 36 HN ARG 36 85.222 14.060 -6.063 282 HA ARG 36 HA ARG 36 86.752 12.460 -8.045 283 HE ARG 36 HE ARG 36 87.509 10.545 -3.290 284 HB2 ARG 36 HB2 ARG 36 87.483 12.761 -5.593 285 HB3 ARG 36 HB1 ARG 36 86.146 11.684 -5.189 286 HG2 ARG 36 HG2 ARG 36 87.070 9.920 -6.572 287 HG3 ARG 36 HG1 ARG 36 88.329 10.998 -7.176 288 HD2 ARG 36 HD2 ARG 36 89.275 9.589 -5.431 289 HD3 ARG 36 HD1 ARG 36 89.173 11.246 -4.834 290 HH11 ARG 36 HH21 ARG 36 88.227 8.164 -5.678 291 HH12 ARG 36 HH22 ARG 36 87.335 6.909 -4.886 292 HH21 ARG 36 HH11 ARG 36 86.341 8.919 -2.242 293 HH22 ARG 36 HH12 ARG 36 86.267 7.336 -2.940 294 H GLN 37 HN GLN 37 83.882 12.230 -5.960 295 HA GLN 37 HA GLN 37 82.052 10.747 -6.053 296 HB2 GLN 37 HB2 GLN 37 82.621 11.162 -9.004 297 HB3 GLN 37 HB1 GLN 37 81.137 10.462 -8.358 298 HG2 GLN 37 HG2 GLN 37 80.626 12.512 -7.160 299 HG3 GLN 37 HG1 GLN 37 82.176 13.214 -7.627 300 HE21 GLN 37 HE21 GLN 37 82.486 13.714 -9.967 301 HE22 GLN 37 HE22 GLN 37 81.134 13.962 -10.963 302 H1U RCY 38 H1U RCY 38 83.969 1.375 -1.526 303 H1S RCY 38 H1S RCY 38 85.779 3.722 -4.975 304 HB1 RCY 38 HB1 RCY 38 83.086 6.724 -6.392 305 HB2 RCY 38 HB2 RCY 38 84.284 6.805 -5.102 306 HA RCY 38 HA RCY 38 85.986 7.568 -6.644 307 HN1 RCY 38 HN1 RCY 38 85.010 9.690 -6.492 308 H LYS 39 HN LYS 39 83.256 8.239 -8.785 309 HA LYS 39 HA LYS 39 82.847 7.549 -10.998 310 HB2 LYS 39 HB2 LYS 39 85.847 7.961 -10.937 311 HB3 LYS 39 HB1 LYS 39 84.946 7.678 -12.424 312 HG2 LYS 39 HG2 LYS 39 83.613 9.718 -10.890 313 HG3 LYS 39 HG1 LYS 39 85.313 10.150 -11.077 314 HD2 LYS 39 HD2 LYS 39 84.222 11.040 -13.000 315 HD3 LYS 39 HD1 LYS 39 85.033 9.576 -13.557 316 HE2 LYS 39 HE2 LYS 39 82.881 8.327 -13.198 317 HE3 LYS 39 HE1 LYS 39 82.102 9.869 -12.842 318 HZ1 LYS 39 HZ1 LYS 39 83.661 9.672 -15.305 319 HZ2 LYS 39 HZ2 LYS 39 82.241 10.547 -14.986 320 HZ3 LYS 39 HZ3 LYS 39 82.165 8.873 -15.264 321 H SER 40 HN SER 40 85.618 6.098 -12.003 322 HA SER 40 HA SER 40 84.551 3.538 -12.377 323 HG SER 40 HG SER 40 86.093 5.438 -13.425 324 HB2 SER 40 HB2 SER 40 87.483 4.036 -11.837 325 HB3 SER 40 HB1 SER 40 86.770 2.806 -12.875 326 H LYS 41 HN LYS 41 85.826 1.519 -11.288 327 HA LYS 41 HA LYS 41 86.050 1.917 -8.365 328 HB2 LYS 41 HB2 LYS 41 84.567 -0.368 -8.359 329 HB3 LYS 41 HB1 LYS 41 83.875 1.237 -8.137 330 HG2 LYS 41 HG2 LYS 41 82.610 0.064 -9.859 331 HG3 LYS 41 HG1 LYS 41 83.518 1.377 -10.610 332 HD2 LYS 41 HD2 LYS 41 85.160 -0.113 -11.475 333 HD3 LYS 41 HD1 LYS 41 84.609 -1.437 -10.447 334 HE2 LYS 41 HE2 LYS 41 82.921 -0.163 -12.618 335 HE3 LYS 41 HE1 LYS 41 83.854 -1.644 -12.834 336 HZ1 LYS 41 HZ1 LYS 41 82.601 -2.688 -11.089 337 HZ2 LYS 41 HZ2 LYS 41 81.523 -2.060 -12.242 338 HZ3 LYS 41 HZ3 LYS 41 81.759 -1.251 -10.767 339 HA PRO 42 HA PRO 42 89.222 -1.114 -8.885 340 HB2 PRO 42 HB2 PRO 42 89.383 -2.172 -6.383 341 HB3 PRO 42 HB1 PRO 42 89.885 -0.509 -6.747 342 HG2 PRO 42 HG2 PRO 42 87.362 -1.487 -5.506 343 HG3 PRO 42 HG1 PRO 42 88.349 -0.074 -5.097 344 HD2 PRO 42 HD2 PRO 42 86.042 0.068 -6.595 345 HD3 PRO 42 HD1 PRO 42 87.369 1.244 -6.718 346 HA PRO 43 HA PRO 43 87.620 -5.148 -9.765 347 HB2 PRO 43 HB2 PRO 43 89.719 -6.758 -8.894 348 HB3 PRO 43 HB1 PRO 43 89.666 -5.918 -10.455 349 HG2 PRO 43 HG2 PRO 43 91.065 -5.158 -7.948 350 HG3 PRO 43 HG1 PRO 43 91.573 -4.961 -9.633 351 HD2 PRO 43 HD2 PRO 43 90.617 -2.882 -8.167 352 HD3 PRO 43 HD1 PRO 43 90.343 -3.006 -9.920 353 H LYS 44 HN LYS 44 87.053 -7.284 -8.706 354 HA LYS 44 HA LYS 44 85.655 -7.008 -6.319 355 HB2 LYS 44 HB2 LYS 44 85.834 -9.509 -6.117 356 HB3 LYS 44 HB1 LYS 44 85.346 -8.959 -7.719 357 HG2 LYS 44 HG2 LYS 44 87.578 -9.260 -8.584 358 HG3 LYS 44 HG1 LYS 44 88.216 -9.575 -6.970 359 HD2 LYS 44 HD2 LYS 44 86.598 -11.555 -6.873 360 HD3 LYS 44 HD1 LYS 44 86.361 -11.316 -8.605 361 HE2 LYS 44 HE2 LYS 44 88.100 -12.932 -8.437 362 HE3 LYS 44 HE1 LYS 44 88.917 -11.414 -8.810 363 HZ1 LYS 44 HZ1 LYS 44 88.555 -11.761 -6.005 364 HZ2 LYS 44 HZ2 LYS 44 89.980 -11.463 -6.881 365 HZ3 LYS 44 HZ3 LYS 44 89.422 -13.055 -6.677 366 H LYS 45 HN LYS 45 87.200 -9.490 -5.098 367 HA LYS 45 HA LYS 45 88.771 -9.815 -3.387 368 HB2 LYS 45 HB2 LYS 45 90.246 -8.569 -5.147 369 HB3 LYS 45 HB1 LYS 45 90.046 -7.174 -4.088 370 HG2 LYS 45 HG2 LYS 45 90.860 -8.591 -2.177 371 HG3 LYS 45 HG1 LYS 45 91.215 -9.868 -3.341 372 HD2 LYS 45 HD2 LYS 45 92.294 -7.117 -3.843 373 HD3 LYS 45 HD1 LYS 45 93.094 -8.139 -2.648 374 HE2 LYS 45 HE2 LYS 45 92.422 -9.282 -5.341 375 HE3 LYS 45 HE1 LYS 45 93.842 -8.251 -5.171 376 HZ1 LYS 45 HZ1 LYS 45 94.786 -9.696 -3.612 377 HZ2 LYS 45 HZ2 LYS 45 94.178 -10.716 -4.827 378 HZ3 LYS 45 HZ3 LYS 45 93.333 -10.537 -3.364 379 H GLY 46 HN GLY 46 87.893 -6.353 -3.672 380 HA2 GLY 46 HA2 GLY 46 87.164 -4.843 -2.033 381 HA3 GLY 46 HA1 GLY 46 86.337 -6.234 -1.331 382 H VAL 47 HN VAL 47 89.844 -5.832 -1.720 383 HA VAL 47 HA VAL 47 90.540 -6.800 0.811 384 HB VAL 47 HB VAL 47 92.110 -6.284 -1.107 385 HG11 VAL 47 HG11 VAL 47 92.280 -3.507 0.037 386 HG12 VAL 47 HG12 VAL 47 91.102 -3.869 -1.225 387 HG13 VAL 47 HG13 VAL 47 92.823 -4.094 -1.535 388 HG21 VAL 47 HG21 VAL 47 93.989 -5.670 0.376 389 HG22 VAL 47 HG22 VAL 47 92.937 -6.854 1.153 390 HG23 VAL 47 HG23 VAL 47 92.844 -5.154 1.614 391 H GLN 48 HN GLN 48 90.013 -6.039 2.795 392 HA GLN 48 HA GLN 48 88.750 -3.529 3.252 393 HB2 GLN 48 HB2 GLN 48 89.188 -3.984 5.660 394 HB3 GLN 48 HB1 GLN 48 88.518 -5.385 4.826 395 HG2 GLN 48 HG2 GLN 48 90.277 -6.523 5.701 396 HG3 GLN 48 HG1 GLN 48 91.232 -5.725 4.451 397 HE21 GLN 48 HE21 GLN 48 93.158 -5.245 5.587 398 HE22 GLN 48 HE22 GLN 48 93.211 -4.317 7.008 399 H GLY 49 HN GLY 49 89.852 -1.702 2.616 400 HA2 GLY 49 HA2 GLY 49 92.712 -1.413 3.323 401 HA3 GLY 49 HA1 GLY 49 91.788 -0.315 2.296 402 H1U RCY 50 H1U RCY 50 84.971 -2.281 2.669 403 H1S RCY 50 H1S RCY 50 88.054 0.749 2.833 404 HB1 RCY 50 HB1 RCY 50 89.082 2.055 6.966 405 HB2 RCY 50 HB2 RCY 50 88.280 0.556 6.496 406 HA RCY 50 HA RCY 50 91.233 1.140 6.665 407 HN1 RCY 50 HN1 RCY 50 90.282 -1.291 5.242 408 H GLY 51 HN GLY 51 88.793 -1.471 6.947 409 HA2 GLY 51 HA2 GLY 51 89.123 -3.295 8.585 410 HA3 GLY 51 HA1 GLY 51 89.972 -2.139 9.614 411 H ASP 52 HN ASP 52 86.861 -3.348 8.660 412 HA ASP 52 HA ASP 52 85.424 -1.233 10.141 413 HB2 ASP 52 HB2 ASP 52 83.407 -2.684 9.484 414 HB3 ASP 52 HB1 ASP 52 84.295 -1.916 8.167 415 H ASP 53 HN ASP 53 83.660 -2.065 11.674 416 HA ASP 53 HA ASP 53 83.686 -4.493 13.046 417 HB2 ASP 53 HB2 ASP 53 85.036 -3.580 15.139 418 HB3 ASP 53 HB1 ASP 53 85.889 -4.370 13.815 419 H ILE 54 HN ILE 54 84.106 -1.165 14.272 420 HA ILE 54 HA ILE 54 81.241 -1.204 15.139 421 HB ILE 54 HB ILE 54 82.340 0.415 17.000 422 HG12 ILE 54 HG12 ILE 54 84.448 -1.722 16.625 423 HG13 ILE 54 HG11 ILE 54 84.624 -0.107 15.936 424 HG21 ILE 54 HG21 ILE 54 80.920 -1.529 17.466 425 HG22 ILE 54 HG22 ILE 54 82.340 -1.560 18.511 426 HG23 ILE 54 HG23 ILE 54 82.259 -2.616 17.100 427 HD11 ILE 54 HD11 ILE 54 85.714 -0.294 18.164 428 HD12 ILE 54 HD12 ILE 54 84.149 -0.693 18.874 429 HD13 ILE 54 HD13 ILE 54 84.413 0.897 18.159 430 HA PRO 55 HA PRO 55 82.181 2.531 12.571 431 HB2 PRO 55 HB2 PRO 55 80.072 2.311 10.867 432 HB3 PRO 55 HB1 PRO 55 81.591 1.425 10.632 433 HG2 PRO 55 HG2 PRO 55 78.988 0.467 11.686 434 HG3 PRO 55 HG1 PRO 55 80.179 -0.371 10.680 435 HD2 PRO 55 HD2 PRO 55 79.891 -0.728 13.428 436 HD3 PRO 55 HD1 PRO 55 81.348 -1.137 12.498 437 H GLY 56 HN GLY 56 78.682 2.063 12.432 438 HA2 GLY 56 HA2 GLY 56 78.247 4.702 13.588 439 HA3 GLY 56 HA1 GLY 56 76.988 3.578 13.078 440 H MET 57 HN MET 57 78.059 1.377 14.727 441 HA MET 57 HA MET 57 77.498 0.500 16.833 442 HB2 MET 57 HB2 MET 57 78.432 2.851 18.334 443 HB3 MET 57 HB1 MET 57 79.028 1.195 18.362 444 HG2 MET 57 HG2 MET 57 80.856 2.148 17.353 445 HG3 MET 57 HG1 MET 57 79.879 1.933 15.901 446 HE1 MET 57 HE1 MET 57 82.130 3.701 15.863 447 HE2 MET 57 HE2 MET 57 82.139 4.386 17.486 448 HE3 MET 57 HE3 MET 57 81.912 5.441 16.093 449 H GLU 58 HN GLU 58 75.715 2.801 15.545 450 HA GLU 58 HA GLU 58 73.536 2.587 17.324 451 HB2 GLU 58 HB2 GLU 58 75.542 4.457 18.232 452 HB3 GLU 58 HB1 GLU 58 74.081 5.346 17.813 453 HG2 GLU 58 HG2 GLU 58 72.741 4.021 19.299 454 HG3 GLU 58 HG1 GLU 58 74.048 2.862 19.544 455 H GLY 59 HN GLY 59 75.257 4.645 15.025 456 HA2 GLY 59 HA2 GLY 59 73.070 6.201 14.110 457 HA3 GLY 59 HA1 GLY 59 74.479 5.791 13.132 458 H1U RCY 60 H1U RCY 60 76.718 -1.027 6.123 459 H1S RCY 60 H1S RCY 60 76.842 1.509 9.746 460 HB1 RCY 60 HB1 RCY 60 73.233 1.246 10.085 461 HB2 RCY 60 HB2 RCY 60 73.480 0.344 11.580 462 HA RCY 60 HA RCY 60 71.959 2.802 11.128 463 HN1 RCY 60 HN1 RCY 60 74.231 3.012 12.992 464 H GLY 61 HN GLY 61 73.175 0.491 13.561 465 HA2 GLY 61 HA2 GLY 61 71.362 0.234 15.478 466 HA3 GLY 61 HA1 GLY 61 70.362 -0.287 14.120 467 H THR 62 HN THR 62 73.795 -0.951 14.227 468 HA THR 62 HA THR 62 74.957 -2.983 14.272 469 HB THR 62 HB THR 62 74.478 -4.425 16.064 470 HG1 THR 62 HG1 THR 62 71.800 -3.537 16.111 471 HG21 THR 62 HG21 THR 62 74.729 -1.939 16.673 472 HG22 THR 62 HG22 THR 62 74.042 -2.997 17.905 473 HG23 THR 62 HG23 THR 62 72.987 -1.955 16.950 474 H ASP 63 HN ASP 63 72.013 -2.619 12.829 475 HA ASP 63 HA ASP 63 71.345 -5.344 12.161 476 HB2 ASP 63 HB2 ASP 63 69.843 -3.287 11.920 477 HB3 ASP 63 HB1 ASP 63 70.761 -2.907 10.463 478 H ILE 64 HN ILE 64 74.128 -3.837 11.591 479 HA ILE 64 HA ILE 64 74.462 -4.905 8.819 480 HB ILE 64 HB ILE 64 76.239 -2.959 10.318 481 HG12 ILE 64 HG12 ILE 64 74.302 -2.327 8.080 482 HG13 ILE 64 HG11 ILE 64 73.861 -2.166 9.781 483 HG21 ILE 64 HG21 ILE 64 77.329 -2.629 8.212 484 HG22 ILE 64 HG22 ILE 64 76.088 -3.542 7.352 485 HG23 ILE 64 HG23 ILE 64 77.208 -4.375 8.430 486 HD11 ILE 64 HD11 ILE 64 76.320 -0.848 8.613 487 HD12 ILE 64 HD12 ILE 64 75.544 -0.515 10.161 488 HD13 ILE 64 HD13 ILE 64 74.748 -0.049 8.658 489 H THR 65 HN THR 65 77.142 -4.205 10.886 490 HA THR 65 HA THR 65 78.612 -5.599 12.107 491 HB THR 65 HB THR 65 77.179 -8.085 11.230 492 HG1 THR 65 HG1 THR 65 76.207 -6.061 12.920 493 HG21 THR 65 HG21 THR 65 79.237 -8.048 12.701 494 HG22 THR 65 HG22 THR 65 77.841 -8.859 13.410 495 HG23 THR 65 HG23 THR 65 78.265 -7.226 13.922 496 H VAL 66 HN VAL 66 79.680 -4.727 9.982 497 HA VAL 66 HA VAL 66 81.247 -5.155 8.293 498 HB VAL 66 HB VAL 66 81.055 -8.084 9.013 499 HG11 VAL 66 HG11 VAL 66 82.429 -7.282 7.046 500 HG12 VAL 66 HG12 VAL 66 83.354 -8.131 8.284 501 HG13 VAL 66 HG13 VAL 66 83.415 -6.371 8.190 502 HG21 VAL 66 HG21 VAL 66 82.361 -5.807 10.509 503 HG22 VAL 66 HG22 VAL 66 82.962 -7.460 10.642 504 HG23 VAL 66 HG23 VAL 66 81.316 -7.077 11.146 505 H ILE 67 HN ILE 67 78.878 -7.824 8.430 506 HA ILE 67 HA ILE 67 78.253 -7.284 5.556 507 HB ILE 67 HB ILE 67 78.632 -9.950 6.945 508 HG12 ILE 67 HG12 ILE 67 79.676 -8.993 4.272 509 HG13 ILE 67 HG11 ILE 67 80.546 -8.693 5.777 510 HG21 ILE 67 HG21 ILE 67 77.111 -9.250 4.432 511 HG22 ILE 67 HG22 ILE 67 76.592 -10.261 5.780 512 HG23 ILE 67 HG23 ILE 67 77.823 -10.847 4.662 513 HD11 ILE 67 HD11 ILE 67 80.561 -11.132 6.235 514 HD12 ILE 67 HD12 ILE 67 81.377 -10.747 4.720 515 HD13 ILE 67 HD13 ILE 67 79.744 -11.412 4.698 516 H1U RCY 68 H1U RCY 68 73.857 -0.707 1.472 517 H1S RCY 68 H1S RCY 68 73.149 -4.469 2.781 518 HB1 RCY 68 HB1 RCY 68 74.172 -4.833 6.539 519 HB2 RCY 68 HB2 RCY 68 72.744 -5.810 6.204 520 HA RCY 68 HA RCY 68 74.423 -6.836 7.823 521 HN1 RCY 68 HN1 RCY 68 76.246 -6.400 5.660 522 HA PRO 69 HA PRO 69 72.988 -10.837 6.433 523 HB2 PRO 69 HB2 PRO 69 71.039 -11.220 8.296 524 HB3 PRO 69 HB1 PRO 69 72.767 -11.356 8.677 525 HG2 PRO 69 HG2 PRO 69 70.899 -9.097 9.194 526 HG3 PRO 69 HG1 PRO 69 72.186 -9.755 10.217 527 HD2 PRO 69 HD2 PRO 69 72.474 -7.473 8.706 528 HD3 PRO 69 HD1 PRO 69 73.834 -8.521 9.168 529 H TRP 70 HN TRP 70 70.911 -8.031 6.757 530 HA TRP 70 HA TRP 70 68.640 -9.310 5.432 531 HD1 TRP 70 HD1 TRP 70 67.345 -6.444 3.554 532 HE1 TRP 70 HE1 TRP 70 68.192 -4.182 2.654 533 HE3 TRP 70 HE3 TRP 70 70.683 -5.229 7.223 534 HZ2 TRP 70 HZ2 TRP 70 70.043 -2.125 3.393 535 HZ3 TRP 70 HZ3 TRP 70 71.971 -3.119 7.101 536 HH2 TRP 70 HH2 TRP 70 71.658 -1.566 5.195 537 HB2 TRP 70 HB2 TRP 70 67.492 -7.469 6.106 538 HB3 TRP 70 HB1 TRP 70 68.941 -7.050 7.013 539 H GLU 71 HN GLU 71 71.621 -8.266 4.369 540 HA GLU 71 HA GLU 71 70.695 -8.314 1.583 541 HB2 GLU 71 HB2 GLU 71 70.398 -5.951 2.079 542 HB3 GLU 71 HB1 GLU 71 72.004 -5.858 2.794 543 HG2 GLU 71 HG2 GLU 71 71.658 -5.067 0.311 544 HG3 GLU 71 HG1 GLU 71 73.084 -6.021 0.722 545 H ALA 72 HN ALA 72 72.111 -10.294 2.248 546 HA ALA 72 HA ALA 72 74.982 -9.818 2.442 547 HB1 ALA 72 HB1 ALA 72 73.309 -12.305 2.025 548 HB2 ALA 72 HB2 ALA 72 74.170 -11.814 3.484 549 HB3 ALA 72 HB3 ALA 72 75.071 -12.343 2.063 550 H1U RCY 73 H1U RCY 73 74.700 -1.958 1.348 551 H1S RCY 73 H1S RCY 73 75.145 -6.198 -0.113 552 HB1 RCY 73 HB1 RCY 73 74.587 -7.076 -1.710 553 HB2 RCY 73 HB2 RCY 73 75.559 -7.629 -3.073 554 HA RCY 73 HA RCY 73 74.319 -9.524 -2.193 555 HN1 RCY 73 HN1 RCY 73 74.737 -8.387 0.365 556 H ASN 74 HN ASN 74 76.626 -10.403 0.050 557 HA ASN 74 HA ASN 74 78.581 -11.692 -0.088 558 HB2 ASN 74 HB2 ASN 74 76.896 -13.046 -1.487 559 HB3 ASN 74 HB1 ASN 74 77.702 -12.365 -2.900 560 HD21 ASN 74 HD21 ASN 74 77.880 -15.115 -2.612 561 HD22 ASN 74 HD22 ASN 74 79.441 -15.561 -2.115 562 H HIS 75 HN HIS 75 79.741 -9.561 -0.174 563 HA HIS 75 HA HIS 75 81.291 -8.088 -1.146 564 HD1 HIS 75 HD1 HIS 75 84.544 -8.255 -2.133 565 HD2 HIS 75 HD2 HIS 75 82.732 -10.727 0.696 566 HE1 HIS 75 HE1 HIS 75 86.040 -8.219 -0.090 567 HE2 HIS 75 HE2 HIS 75 84.949 -9.720 1.640 568 HB2 HIS 75 HB2 HIS 75 81.883 -10.825 -2.098 569 HB3 HIS 75 HB1 HIS 75 82.585 -9.551 -3.092 570 H1U RCY 76 H1U RCY 76 80.119 0.231 -5.487 571 H1S RCY 76 H1S RCY 76 81.932 -3.977 -4.105 572 HB1 RCY 76 HB1 RCY 76 79.178 -5.082 -3.554 573 HB2 RCY 76 HB2 RCY 76 78.722 -5.178 -5.254 574 HA RCY 76 HA RCY 76 77.570 -6.938 -4.032 575 HN1 RCY 76 HN1 RCY 76 78.814 -7.617 -2.139 576 H GLU 77 HN GLU 77 76.934 -8.479 -5.478 577 HA GLU 77 HA GLU 77 78.679 -10.215 -6.920 578 HB2 GLU 77 HB2 GLU 77 76.612 -10.449 -8.462 579 HB3 GLU 77 HB1 GLU 77 76.423 -10.914 -6.772 580 HG2 GLU 77 HG2 GLU 77 75.870 -8.069 -7.508 581 HG3 GLU 77 HG1 GLU 77 74.673 -9.287 -7.953 582 H LEU 78 HN LEU 78 80.320 -9.029 -7.971 583 HA LEU 78 HA LEU 78 81.279 -7.598 -9.578 584 HG LEU 78 HG LEU 78 81.500 -9.739 -10.383 585 HB2 LEU 78 HB2 LEU 78 78.849 -8.605 -11.093 586 HB3 LEU 78 HB1 LEU 78 80.242 -7.813 -11.828 587 HD11 LEU 78 HD11 LEU 78 78.966 -11.057 -11.391 588 HD12 LEU 78 HD12 LEU 78 79.217 -10.620 -9.701 589 HD13 LEU 78 HD13 LEU 78 80.272 -11.805 -10.472 590 HD21 LEU 78 HD21 LEU 78 81.977 -9.392 -12.701 591 HD22 LEU 78 HD22 LEU 78 80.338 -9.838 -13.176 592 HD23 LEU 78 HD23 LEU 78 81.446 -11.069 -12.571 593 H HIS 79 HN HIS 79 78.542 -6.753 -11.354 594 HA HIS 79 HA HIS 79 77.528 -4.573 -9.775 595 HD1 HIS 79 HD1 HIS 79 78.840 -3.948 -13.754 596 HD2 HIS 79 HD2 HIS 79 81.912 -4.658 -11.023 597 HE1 HIS 79 HE1 HIS 79 80.810 -4.799 -15.099 598 HE2 HIS 79 HE2 HIS 79 82.687 -5.235 -13.449 599 HB2 HIS 79 HB2 HIS 79 78.573 -2.772 -11.311 600 HB3 HIS 79 HB1 HIS 79 79.601 -3.460 -10.054 601 H GLU 80 HN GLU 80 76.020 -6.300 -11.057 602 HA GLU 80 HA GLU 80 75.371 -5.203 -13.753 603 HB2 GLU 80 HB2 GLU 80 74.650 -7.764 -12.321 604 HB3 GLU 80 HB1 GLU 80 73.811 -7.250 -13.785 605 HG2 GLU 80 HG2 GLU 80 76.824 -7.434 -13.653 606 HG3 GLU 80 HG1 GLU 80 75.824 -8.815 -14.107 607 H LEU 81 HN LEU 81 74.370 -5.048 -10.500 608 HA LEU 81 HA LEU 81 71.540 -4.514 -11.118 609 HG LEU 81 HG LEU 81 73.501 -6.301 -9.154 610 HB2 LEU 81 HB2 LEU 81 72.950 -4.026 -8.488 611 HB3 LEU 81 HB1 LEU 81 71.234 -4.327 -8.760 612 HD11 LEU 81 HD11 LEU 81 71.121 -6.290 -7.272 613 HD12 LEU 81 HD12 LEU 81 72.784 -5.929 -6.809 614 HD13 LEU 81 HD13 LEU 81 72.355 -7.545 -7.370 615 HD21 LEU 81 HD21 LEU 81 71.482 -7.867 -9.574 616 HD22 LEU 81 HD22 LEU 81 71.960 -6.790 -10.887 617 HD23 LEU 81 HD23 LEU 81 70.570 -6.388 -9.878 618 H ALA 82 HN ALA 82 74.201 -2.789 -11.713 619 HA ALA 82 HA ALA 82 73.654 -0.238 -10.489 620 HB1 ALA 82 HB1 ALA 82 75.861 -0.820 -11.440 621 HB2 ALA 82 HB2 ALA 82 75.223 0.655 -12.166 622 HB3 ALA 82 HB3 ALA 82 75.149 -0.867 -13.053 623 H GLN 83 HN GLN 83 71.438 -1.695 -12.052 624 HA GLN 83 HA GLN 83 70.746 -0.372 -14.420 625 HB2 GLN 83 HB2 GLN 83 68.934 -1.263 -12.158 626 HB3 GLN 83 HB1 GLN 83 68.378 -0.829 -13.775 627 HG2 GLN 83 HG2 GLN 83 69.523 -2.656 -14.777 628 HG3 GLN 83 HG1 GLN 83 70.485 -2.946 -13.327 629 HE21 GLN 83 HE21 GLN 83 67.271 -3.380 -14.759 630 HE22 GLN 83 HE22 GLN 83 66.697 -4.454 -13.577 631 H TYR 84 HN TYR 84 70.315 0.730 -11.070 632 HA TYR 84 HA TYR 84 70.143 3.506 -12.008 633 HD1 TYR 84 HD1 TYR 84 68.099 5.021 -12.986 634 HD2 TYR 84 HD2 TYR 84 67.565 4.054 -8.834 635 HE1 TYR 84 HE1 TYR 84 67.524 7.386 -12.509 636 HE2 TYR 84 HE2 TYR 84 66.990 6.419 -8.358 637 HH TYR 84 HH TYR 84 67.695 8.897 -10.245 638 HB2 TYR 84 HB2 TYR 84 67.784 2.651 -12.175 639 HB3 TYR 84 HB1 TYR 84 67.831 2.315 -10.444 640 H GLY 85 HN GLY 85 71.387 1.371 -9.977 641 HA2 GLY 85 HA2 GLY 85 71.007 2.586 -7.383 642 HA3 GLY 85 HA1 GLY 85 72.272 1.431 -7.799 643 H ILE 86 HN ILE 86 71.492 4.758 -8.889 644 HA ILE 86 HA ILE 86 74.252 5.481 -9.206 645 HB ILE 86 HB ILE 86 72.427 6.692 -10.343 646 HG12 ILE 86 HG12 ILE 86 73.198 9.004 -9.818 647 HG13 ILE 86 HG11 ILE 86 74.014 8.382 -8.384 648 HG21 ILE 86 HG21 ILE 86 71.753 7.912 -7.662 649 HG22 ILE 86 HG22 ILE 86 70.899 6.499 -8.282 650 HG23 ILE 86 HG23 ILE 86 70.844 8.022 -9.169 651 HD11 ILE 86 HD11 ILE 86 75.675 7.361 -9.601 652 HD12 ILE 86 HD12 ILE 86 75.273 8.641 -10.745 653 HD13 ILE 86 HD13 ILE 86 74.610 7.022 -10.965 654 H1U RCY 87 H1U RCY 87 79.545 1.869 -3.534 655 H1S RCY 87 H1S RCY 87 79.506 5.823 -4.275 656 HB1 RCY 87 HB1 RCY 87 77.509 6.345 -6.347 657 HB2 RCY 87 HB2 RCY 87 76.999 5.191 -5.121 658 HA RCY 87 HA RCY 87 74.895 6.185 -4.876 659 HN1 RCY 87 HN1 RCY 87 75.717 6.119 -7.687 Start of MODEL 49 1 HA MET 1 HA MET 1 47.001 -4.173 -2.285 2 HB2 MET 1 HB2 MET 1 49.503 -3.406 -3.159 3 HB3 MET 1 HB1 MET 1 48.132 -3.737 -4.215 4 HG2 MET 1 HG2 MET 1 49.205 -1.521 -4.669 5 HG3 MET 1 HG1 MET 1 47.504 -1.387 -4.224 6 HE1 MET 1 HE1 MET 1 50.532 0.325 -4.022 7 HE2 MET 1 HE2 MET 1 50.091 1.498 -2.783 8 HE3 MET 1 HE3 MET 1 48.982 1.171 -4.113 9 H ASN 2 HN ASN 2 47.847 -5.211 -0.551 10 HA ASN 2 HA ASN 2 50.169 -4.141 0.867 11 HB2 ASN 2 HB2 ASN 2 47.427 -4.187 2.141 12 HB3 ASN 2 HB1 ASN 2 48.905 -4.230 3.102 13 HD21 ASN 2 HD21 ASN 2 50.416 -2.345 2.851 14 HD22 ASN 2 HD22 ASN 2 49.796 -0.842 2.364 15 H LEU 3 HN LEU 3 48.169 -5.983 2.892 16 HA LEU 3 HA LEU 3 48.184 -8.246 3.510 17 HG LEU 3 HG LEU 3 46.781 -9.645 2.310 18 HB2 LEU 3 HB2 LEU 3 48.139 -8.280 0.730 19 HB3 LEU 3 HB1 LEU 3 49.544 -9.274 1.109 20 HD11 LEU 3 HD11 LEU 3 46.899 -11.794 0.935 21 HD12 LEU 3 HD12 LEU 3 48.259 -11.064 0.082 22 HD13 LEU 3 HD13 LEU 3 46.667 -10.308 0.014 23 HD21 LEU 3 HD21 LEU 3 49.455 -10.962 2.685 24 HD22 LEU 3 HD22 LEU 3 47.989 -11.927 2.856 25 HD23 LEU 3 HD23 LEU 3 48.249 -10.527 3.896 26 H GLU 4 HN GLU 4 49.726 -9.777 4.369 27 HA GLU 4 HA GLU 4 52.142 -8.747 5.295 28 HB2 GLU 4 HB2 GLU 4 51.197 -10.782 6.227 29 HB3 GLU 4 HB1 GLU 4 51.436 -11.632 4.701 30 HG2 GLU 4 HG2 GLU 4 53.792 -11.620 4.927 31 HG3 GLU 4 HG1 GLU 4 53.749 -10.367 6.168 32 HA PRO 5 HA PRO 5 54.538 -8.234 1.510 33 HB2 PRO 5 HB2 PRO 5 56.729 -8.761 3.493 34 HB3 PRO 5 HB1 PRO 5 56.625 -7.510 2.237 35 HG2 PRO 5 HG2 PRO 5 56.142 -6.961 4.802 36 HG3 PRO 5 HG1 PRO 5 55.237 -6.178 3.497 37 HD2 PRO 5 HD2 PRO 5 54.322 -8.236 5.431 38 HD3 PRO 5 HD1 PRO 5 53.371 -7.047 4.514 39 HA PRO 6 HA PRO 6 55.109 -12.739 1.041 40 HB2 PRO 6 HB2 PRO 6 54.725 -12.850 -1.642 41 HB3 PRO 6 HB1 PRO 6 53.378 -12.686 -0.498 42 HG2 PRO 6 HG2 PRO 6 54.669 -10.623 -2.200 43 HG3 PRO 6 HG1 PRO 6 52.966 -10.819 -1.755 44 HD2 PRO 6 HD2 PRO 6 54.717 -9.012 -0.560 45 HD3 PRO 6 HD1 PRO 6 53.209 -9.597 0.174 46 H LYS 7 HN LYS 7 57.077 -13.728 0.826 47 HA LYS 7 HA LYS 7 58.893 -13.163 -1.342 48 HB2 LYS 7 HB2 LYS 7 59.226 -11.153 0.173 49 HB3 LYS 7 HB1 LYS 7 59.827 -12.272 1.395 50 HG2 LYS 7 HG2 LYS 7 61.764 -11.477 0.249 51 HG3 LYS 7 HG1 LYS 7 61.476 -13.101 -0.376 52 HD2 LYS 7 HD2 LYS 7 59.947 -11.244 -1.934 53 HD3 LYS 7 HD1 LYS 7 61.611 -10.666 -1.846 54 HE2 LYS 7 HE2 LYS 7 62.453 -12.798 -2.644 55 HE3 LYS 7 HE1 LYS 7 60.837 -13.502 -2.584 56 HZ1 LYS 7 HZ1 LYS 7 60.609 -12.829 -4.671 57 HZ2 LYS 7 HZ2 LYS 7 62.036 -11.907 -4.616 58 HZ3 LYS 7 HZ3 LYS 7 60.566 -11.234 -4.095 59 H ALA 8 HN ALA 8 58.498 -14.425 1.924 60 HA ALA 8 HA ALA 8 59.138 -17.097 1.280 61 HB1 ALA 8 HB1 ALA 8 61.491 -15.374 2.021 62 HB2 ALA 8 HB2 ALA 8 61.384 -16.639 0.798 63 HB3 ALA 8 HB3 ALA 8 61.463 -17.069 2.506 64 H GLU 9 HN GLU 9 60.935 -16.028 4.005 65 HA GLU 9 HA GLU 9 58.625 -16.160 5.841 66 HB2 GLU 9 HB2 GLU 9 59.926 -17.922 7.216 67 HB3 GLU 9 HB1 GLU 9 59.071 -18.486 5.782 68 HG2 GLU 9 HG2 GLU 9 61.323 -19.435 5.805 69 HG3 GLU 9 HG1 GLU 9 61.189 -18.279 4.479 70 H1U RCY 10 H1U RCY 10 67.584 -10.778 2.286 71 H1S RCY 10 H1S RCY 10 66.699 -13.713 6.021 72 HB1 RCY 10 HB1 RCY 10 64.045 -12.652 6.183 73 HB2 RCY 10 HB2 RCY 10 63.283 -13.414 4.788 74 HA RCY 10 HA RCY 10 62.687 -14.373 7.584 75 HN1 RCY 10 HN1 RCY 10 61.594 -14.939 4.946 76 H ARG 11 HN ARG 11 63.230 -11.772 7.759 77 HA ARG 11 HA ARG 11 62.365 -9.627 8.151 78 HE ARG 11 HE ARG 11 63.272 -8.830 6.952 79 HB2 ARG 11 HB2 ARG 11 61.284 -10.206 5.778 80 HB3 ARG 11 HB1 ARG 11 59.805 -10.271 6.732 81 HG2 ARG 11 HG2 ARG 11 59.767 -8.018 6.354 82 HG3 ARG 11 HG1 ARG 11 60.911 -7.976 7.697 83 HD2 ARG 11 HD2 ARG 11 61.552 -7.986 4.737 84 HD3 ARG 11 HD1 ARG 11 61.893 -6.708 5.904 85 HH11 ARG 11 HH21 ARG 11 63.011 -7.430 3.812 86 HH12 ARG 11 HH22 ARG 11 64.622 -7.858 3.341 87 HH21 ARG 11 HH11 ARG 11 65.378 -9.397 6.355 88 HH22 ARG 11 HH12 ARG 11 65.962 -8.971 4.781 89 H SER 12 HN SER 12 60.312 -8.606 9.202 90 HA SER 12 HA SER 12 58.572 -10.462 10.646 91 HG SER 12 HG SER 12 61.484 -10.968 12.127 92 HB2 SER 12 HB2 SER 12 60.830 -9.001 12.021 93 HB3 SER 12 HB1 SER 12 59.375 -9.474 12.893 94 H ALA 13 HN ALA 13 59.811 -7.245 11.545 95 HA ALA 13 HA ALA 13 57.627 -5.777 10.381 96 HB1 ALA 13 HB1 ALA 13 57.432 -6.091 13.384 97 HB2 ALA 13 HB2 ALA 13 56.482 -7.073 12.270 98 HB3 ALA 13 HB3 ALA 13 56.274 -5.323 12.299 99 H THR 14 HN THR 14 59.377 -4.382 9.825 100 HA THR 14 HA THR 14 60.033 -2.418 11.873 101 HB THR 14 HB THR 14 62.466 -3.691 10.674 102 HG1 THR 14 HG1 THR 14 61.896 -5.500 11.574 103 HG21 THR 14 HG21 THR 14 62.345 -1.562 12.132 104 HG22 THR 14 HG22 THR 14 63.535 -2.785 12.577 105 HG23 THR 14 HG23 THR 14 62.021 -2.660 13.473 106 H ARG 15 HN ARG 15 58.687 -1.889 9.637 107 HA ARG 15 HA ARG 15 58.716 -0.333 7.875 108 HE ARG 15 HE ARG 15 58.536 4.013 7.206 109 HB2 ARG 15 HB2 ARG 15 60.813 0.493 9.326 110 HB3 ARG 15 HB1 ARG 15 61.700 -0.108 7.928 111 HG2 ARG 15 HG2 ARG 15 61.267 2.123 7.335 112 HG3 ARG 15 HG1 ARG 15 59.957 1.252 6.538 113 HD2 ARG 15 HD2 ARG 15 58.381 1.877 8.193 114 HD3 ARG 15 HD1 ARG 15 59.642 2.363 9.327 115 HH11 ARG 15 HH21 ARG 15 61.316 3.253 9.099 116 HH12 ARG 15 HH22 ARG 15 62.019 4.828 8.940 117 HH21 ARG 15 HH11 ARG 15 59.438 6.074 6.988 118 HH22 ARG 15 HH12 ARG 15 60.955 6.425 7.745 119 H VAL 16 HN VAL 16 58.470 -1.018 5.811 120 HA VAL 16 HA VAL 16 60.582 -2.258 4.290 121 HB VAL 16 HB VAL 16 59.930 -4.168 5.776 122 HG11 VAL 16 HG11 VAL 16 57.485 -3.374 5.844 123 HG12 VAL 16 HG12 VAL 16 57.749 -5.111 5.684 124 HG13 VAL 16 HG13 VAL 16 57.310 -4.151 4.271 125 HG21 VAL 16 HG21 VAL 16 59.162 -4.511 2.859 126 HG22 VAL 16 HG22 VAL 16 59.674 -5.795 3.955 127 HG23 VAL 16 HG23 VAL 16 60.813 -4.536 3.478 128 H MET 17 HN MET 17 60.120 -1.870 2.155 129 HA MET 17 HA MET 17 57.621 -0.579 1.458 130 HB2 MET 17 HB2 MET 17 60.047 -0.385 0.390 131 HB3 MET 17 HB1 MET 17 59.461 -1.694 -0.636 132 HG2 MET 17 HG2 MET 17 58.082 0.978 -0.233 133 HG3 MET 17 HG1 MET 17 58.996 0.501 -1.664 134 HE1 MET 17 HE1 MET 17 56.716 1.628 -2.231 135 HE2 MET 17 HE2 MET 17 55.340 0.671 -2.774 136 HE3 MET 17 HE3 MET 17 56.885 0.533 -3.610 137 H GLY 18 HN GLY 18 59.089 -3.547 0.079 138 HA2 GLY 18 HA2 GLY 18 58.032 -5.640 -0.304 139 HA3 GLY 18 HA1 GLY 18 56.539 -4.975 0.358 140 H GLY 19 HN GLY 19 57.557 -6.297 -2.351 141 HA2 GLY 19 HA2 GLY 19 55.624 -5.839 -4.113 142 HA3 GLY 19 HA1 GLY 19 56.451 -4.284 -4.232 143 HA PRO 20 HA PRO 20 58.221 -8.031 -6.920 144 HB2 PRO 20 HB2 PRO 20 57.441 -5.957 -8.945 145 HB3 PRO 20 HB1 PRO 20 57.435 -7.726 -9.086 146 HG2 PRO 20 HG2 PRO 20 55.193 -6.323 -8.664 147 HG3 PRO 20 HG1 PRO 20 55.439 -7.941 -7.989 148 HD2 PRO 20 HD2 PRO 20 55.379 -5.333 -6.595 149 HD3 PRO 20 HD1 PRO 20 55.135 -6.966 -5.940 150 H1U RCY 21 H1U RCY 21 67.380 -2.763 -2.061 151 H1S RCY 21 H1S RCY 21 64.620 -3.528 -5.471 152 HB1 RCY 21 HB1 RCY 21 62.490 -7.346 -5.239 153 HB2 RCY 21 HB2 RCY 21 62.142 -5.797 -4.473 154 HA RCY 21 HA RCY 21 61.495 -4.809 -6.553 155 HN1 RCY 21 HN1 RCY 21 60.203 -7.284 -5.815 156 H THR 22 HN THR 22 62.110 -4.467 -8.636 157 HA THR 22 HA THR 22 63.239 -6.750 -10.192 158 HB THR 22 HB THR 22 62.161 -4.063 -11.086 159 HG1 THR 22 HG1 THR 22 60.742 -5.873 -10.382 160 HG21 THR 22 HG21 THR 22 62.388 -5.166 -13.381 161 HG22 THR 22 HG22 THR 22 63.435 -6.349 -12.597 162 HG23 THR 22 HG23 THR 22 63.891 -4.645 -12.619 163 HA PRO 23 HA PRO 23 67.206 -4.811 -8.998 164 HB2 PRO 23 HB2 PRO 23 68.032 -6.707 -11.172 165 HB3 PRO 23 HB1 PRO 23 68.777 -6.418 -9.586 166 HG2 PRO 23 HG2 PRO 23 67.268 -8.563 -10.041 167 HG3 PRO 23 HG1 PRO 23 67.235 -7.724 -8.481 168 HD2 PRO 23 HD2 PRO 23 65.179 -7.760 -10.636 169 HD3 PRO 23 HD1 PRO 23 64.977 -7.520 -8.887 170 H ARG 24 HN ARG 24 66.926 -2.721 -9.897 171 HA ARG 24 HA ARG 24 66.753 -2.251 -12.741 172 HE ARG 24 HE ARG 24 64.423 1.572 -10.878 173 HB2 ARG 24 HB2 ARG 24 66.125 -0.719 -10.663 174 HB3 ARG 24 HB1 ARG 24 67.781 -0.149 -10.862 175 HG2 ARG 24 HG2 ARG 24 67.284 0.285 -13.281 176 HG3 ARG 24 HG1 ARG 24 65.600 -0.139 -12.968 177 HD2 ARG 24 HD2 ARG 24 67.173 2.174 -11.816 178 HD3 ARG 24 HD1 ARG 24 65.713 2.243 -12.803 179 HH11 ARG 24 HH21 ARG 24 67.825 1.784 -10.362 180 HH12 ARG 24 HH22 ARG 24 67.699 1.774 -8.635 181 HH21 ARG 24 HH11 ARG 24 64.238 1.557 -8.625 182 HH22 ARG 24 HH12 ARG 24 65.668 1.645 -7.651 183 H LYS 25 HN LYS 25 68.522 -3.259 -13.767 184 HA LYS 25 HA LYS 25 71.223 -3.161 -12.932 185 HB2 LYS 25 HB2 LYS 25 70.668 -3.031 -15.862 186 HB3 LYS 25 HB1 LYS 25 71.700 -4.143 -14.961 187 HG2 LYS 25 HG2 LYS 25 69.471 -5.049 -13.969 188 HG3 LYS 25 HG1 LYS 25 68.712 -4.235 -15.338 189 HD2 LYS 25 HD2 LYS 25 70.265 -5.470 -16.867 190 HD3 LYS 25 HD1 LYS 25 70.866 -6.365 -15.470 191 HE2 LYS 25 HE2 LYS 25 67.962 -6.290 -16.340 192 HE3 LYS 25 HE1 LYS 25 69.083 -7.600 -16.711 193 HZ1 LYS 25 HZ1 LYS 25 67.715 -8.027 -14.728 194 HZ2 LYS 25 HZ2 LYS 25 68.419 -6.680 -13.968 195 HZ3 LYS 25 HZ3 LYS 25 69.377 -8.020 -14.385 196 H GLY 26 HN GLY 26 69.301 -0.823 -14.761 197 HA2 GLY 26 HA2 GLY 26 69.730 1.458 -15.151 198 HA3 GLY 26 HA1 GLY 26 71.131 1.321 -14.087 199 HA PRO 27 HA PRO 27 72.274 1.965 -18.705 200 HB2 PRO 27 HB2 PRO 27 74.195 3.702 -17.197 201 HB3 PRO 27 HB1 PRO 27 73.392 3.997 -18.752 202 HG2 PRO 27 HG2 PRO 27 72.570 5.176 -16.506 203 HG3 PRO 27 HG1 PRO 27 71.432 4.669 -17.765 204 HD2 PRO 27 HD2 PRO 27 71.918 3.472 -15.086 205 HD3 PRO 27 HD1 PRO 27 70.453 3.433 -16.092 206 HA PRO 28 HA PRO 28 75.232 -1.392 -18.251 207 HB2 PRO 28 HB2 PRO 28 76.463 -0.003 -20.609 208 HB3 PRO 28 HB1 PRO 28 76.113 -1.727 -20.376 209 HG2 PRO 28 HG2 PRO 28 74.554 -0.154 -21.877 210 HG3 PRO 28 HG1 PRO 28 73.899 -1.488 -20.915 211 HD2 PRO 28 HD2 PRO 28 73.634 1.429 -20.480 212 HD3 PRO 28 HD1 PRO 28 72.614 0.103 -19.881 213 H LYS 29 HN LYS 29 76.970 -1.433 -16.892 214 HA LYS 29 HA LYS 29 79.397 -0.119 -17.100 215 HB2 LYS 29 HB2 LYS 29 77.297 1.713 -16.182 216 HB3 LYS 29 HB1 LYS 29 78.611 1.592 -15.019 217 HG2 LYS 29 HG2 LYS 29 80.226 2.318 -16.583 218 HG3 LYS 29 HG1 LYS 29 79.174 1.978 -17.958 219 HD2 LYS 29 HD2 LYS 29 77.626 3.779 -17.132 220 HD3 LYS 29 HD1 LYS 29 78.829 4.184 -15.908 221 HE2 LYS 29 HE2 LYS 29 79.314 5.674 -17.672 222 HE3 LYS 29 HE1 LYS 29 80.484 4.373 -17.895 223 HZ1 LYS 29 HZ1 LYS 29 77.896 4.077 -19.206 224 HZ2 LYS 29 HZ2 LYS 29 79.443 3.620 -19.738 225 HZ3 LYS 29 HZ3 LYS 29 78.949 5.242 -19.847 226 H1U RCY 30 H1U RCY 30 78.424 -3.146 -8.357 227 H1S RCY 30 H1S RCY 30 78.375 -1.786 -12.653 228 HB1 RCY 30 HB1 RCY 30 78.781 -4.552 -13.161 229 HB2 RCY 30 HB2 RCY 30 78.590 -4.529 -14.911 230 HA RCY 30 HA RCY 30 79.685 -2.247 -13.239 231 HN1 RCY 30 HN1 RCY 30 79.716 -2.291 -16.208 232 H LYS 31 HN LYS 31 80.267 -5.338 -13.962 233 HA LYS 31 HA LYS 31 82.256 -6.591 -14.021 234 HB2 LYS 31 HB2 LYS 31 83.097 -4.420 -15.967 235 HB3 LYS 31 HB1 LYS 31 83.767 -6.047 -15.856 236 HG2 LYS 31 HG2 LYS 31 82.060 -6.948 -17.044 237 HG3 LYS 31 HG1 LYS 31 80.847 -6.027 -16.154 238 HD2 LYS 31 HD2 LYS 31 81.403 -4.020 -17.500 239 HD3 LYS 31 HD1 LYS 31 82.569 -4.974 -18.418 240 HE2 LYS 31 HE2 LYS 31 80.883 -6.317 -19.389 241 HE3 LYS 31 HE1 LYS 31 79.685 -5.829 -18.190 242 HZ1 LYS 31 HZ1 LYS 31 79.665 -3.624 -19.100 243 HZ2 LYS 31 HZ2 LYS 31 79.382 -4.735 -20.353 244 HZ3 LYS 31 HZ3 LYS 31 80.908 -4.007 -20.189 245 H GLN 32 HN GLN 32 84.935 -5.676 -14.382 246 HA GLN 32 HA GLN 32 85.475 -4.687 -11.711 247 HB2 GLN 32 HB2 GLN 32 87.477 -4.709 -13.971 248 HB3 GLN 32 HB1 GLN 32 87.762 -4.957 -12.248 249 HG2 GLN 32 HG2 GLN 32 86.289 -6.842 -14.112 250 HG3 GLN 32 HG1 GLN 32 87.883 -7.107 -13.404 251 HE21 GLN 32 HE21 GLN 32 85.240 -8.618 -13.022 252 HE22 GLN 32 HE22 GLN 32 85.016 -8.648 -11.340 253 H ARG 33 HN ARG 33 84.075 -3.042 -14.028 254 HA ARG 33 HA ARG 33 85.823 -0.673 -14.092 255 HE ARG 33 HE ARG 33 85.850 3.176 -16.283 256 HB2 ARG 33 HB2 ARG 33 84.077 -1.708 -15.902 257 HB3 ARG 33 HB1 ARG 33 83.043 -0.511 -15.128 258 HG2 ARG 33 HG2 ARG 33 85.778 0.027 -16.328 259 HG3 ARG 33 HG1 ARG 33 84.232 0.483 -17.044 260 HD2 ARG 33 HD2 ARG 33 83.806 1.707 -14.786 261 HD3 ARG 33 HD1 ARG 33 85.551 1.571 -14.564 262 HH11 ARG 33 HH21 ARG 33 82.634 1.941 -16.154 263 HH12 ARG 33 HH22 ARG 33 82.003 3.096 -17.280 264 HH21 ARG 33 HH11 ARG 33 85.045 4.692 -17.753 265 HH22 ARG 33 HH12 ARG 33 83.368 4.654 -18.185 266 H GLN 34 HN GLN 34 85.746 0.729 -12.419 267 HA GLN 34 HA GLN 34 83.337 0.809 -10.689 268 HB2 GLN 34 HB2 GLN 34 86.141 1.914 -10.436 269 HB3 GLN 34 HB1 GLN 34 84.850 2.392 -9.333 270 HG2 GLN 34 HG2 GLN 34 84.471 0.019 -8.752 271 HG3 GLN 34 HG1 GLN 34 85.778 -0.451 -9.839 272 HE21 GLN 34 HE21 GLN 34 87.460 -1.077 -8.449 273 HE22 GLN 34 HE22 GLN 34 88.052 -0.128 -7.172 274 H THR 35 HN THR 35 85.302 3.648 -11.003 275 HA THR 35 HA THR 35 83.848 5.021 -13.039 276 HB THR 35 HB THR 35 82.887 6.473 -10.784 277 HG1 THR 35 HG1 THR 35 82.373 4.987 -9.421 278 HG21 THR 35 HG21 THR 35 80.657 5.749 -11.755 279 HG22 THR 35 HG22 THR 35 81.564 4.745 -12.886 280 HG23 THR 35 HG23 THR 35 81.766 6.497 -12.905 281 H ARG 36 HN ARG 36 86.358 4.680 -11.025 282 HA ARG 36 HA ARG 36 88.109 6.072 -10.281 283 HE ARG 36 HE ARG 36 89.455 2.895 -13.234 284 HB2 ARG 36 HB2 ARG 36 87.297 7.207 -12.958 285 HB3 ARG 36 HB1 ARG 36 88.639 7.896 -12.043 286 HG2 ARG 36 HG2 ARG 36 89.358 6.145 -13.689 287 HG3 ARG 36 HG1 ARG 36 89.793 5.758 -12.023 288 HD2 ARG 36 HD2 ARG 36 88.048 4.168 -11.818 289 HD3 ARG 36 HD1 ARG 36 87.216 4.775 -13.249 290 HH11 ARG 36 HH21 ARG 36 87.676 5.302 -14.946 291 HH12 ARG 36 HH22 ARG 36 88.140 4.722 -16.510 292 HH21 ARG 36 HH11 ARG 36 90.071 2.124 -15.267 293 HH22 ARG 36 HH12 ARG 36 89.496 2.923 -16.692 294 H GLN 37 HN GLN 37 86.373 6.728 -8.578 295 HA GLN 37 HA GLN 37 86.311 9.686 -8.530 296 HB2 GLN 37 HB2 GLN 37 83.961 9.850 -8.135 297 HB3 GLN 37 HB1 GLN 37 84.134 8.802 -9.542 298 HG2 GLN 37 HG2 GLN 37 83.604 7.964 -6.680 299 HG3 GLN 37 HG1 GLN 37 82.551 7.737 -8.077 300 HE21 GLN 37 HE21 GLN 37 84.289 5.870 -6.134 301 HE22 GLN 37 HE22 GLN 37 84.953 4.758 -7.231 302 H1U RCY 38 H1U RCY 38 78.285 5.500 -3.241 303 H1S RCY 38 H1S RCY 38 82.881 6.229 -3.976 304 HB1 RCY 38 HB1 RCY 38 85.210 7.929 -2.873 305 HB2 RCY 38 HB2 RCY 38 85.222 7.222 -4.488 306 HA RCY 38 HA RCY 38 85.480 10.189 -3.917 307 HN1 RCY 38 HN1 RCY 38 85.076 10.211 -6.235 308 H LYS 39 HN LYS 39 86.952 8.792 -2.206 309 HA LYS 39 HA LYS 39 89.692 9.131 -3.231 310 HB2 LYS 39 HB2 LYS 39 88.561 8.495 -0.494 311 HB3 LYS 39 HB1 LYS 39 90.291 8.583 -0.825 312 HG2 LYS 39 HG2 LYS 39 90.199 10.883 -1.342 313 HG3 LYS 39 HG1 LYS 39 88.451 10.849 -1.581 314 HD2 LYS 39 HD2 LYS 39 88.077 10.513 0.794 315 HD3 LYS 39 HD1 LYS 39 89.810 10.358 1.083 316 HE2 LYS 39 HE2 LYS 39 88.806 12.643 1.611 317 HE3 LYS 39 HE1 LYS 39 90.203 12.652 0.535 318 HZ1 LYS 39 HZ1 LYS 39 87.853 13.838 -0.002 319 HZ2 LYS 39 HZ2 LYS 39 87.665 12.351 -0.803 320 HZ3 LYS 39 HZ3 LYS 39 88.979 13.361 -1.178 321 H SER 40 HN SER 40 91.167 7.250 -1.958 322 HA SER 40 HA SER 40 90.366 4.773 -3.372 323 HG SER 40 HG SER 40 92.431 6.146 -1.131 324 HB2 SER 40 HB2 SER 40 92.681 4.026 -2.750 325 HB3 SER 40 HB1 SER 40 92.656 5.507 -3.703 326 H LYS 41 HN LYS 41 92.300 4.692 -0.459 327 HA LYS 41 HA LYS 41 90.046 3.393 1.016 328 HB2 LYS 41 HB2 LYS 41 92.892 2.379 0.755 329 HB3 LYS 41 HB1 LYS 41 91.696 1.721 1.872 330 HG2 LYS 41 HG2 LYS 41 90.275 1.016 0.071 331 HG3 LYS 41 HG1 LYS 41 91.232 1.907 -1.113 332 HD2 LYS 41 HD2 LYS 41 93.188 0.442 -0.548 333 HD3 LYS 41 HD1 LYS 41 92.122 -0.510 0.485 334 HE2 LYS 41 HE2 LYS 41 92.206 -1.627 -1.643 335 HE3 LYS 41 HE1 LYS 41 90.629 -0.845 -1.536 336 HZ1 LYS 41 HZ1 LYS 41 92.122 -0.567 -3.645 337 HZ2 LYS 41 HZ2 LYS 41 92.859 0.648 -2.714 338 HZ3 LYS 41 HZ3 LYS 41 91.198 0.731 -3.062 339 HA PRO 42 HA PRO 42 92.189 6.495 3.678 340 HB2 PRO 42 HB2 PRO 42 89.972 7.832 4.503 341 HB3 PRO 42 HB1 PRO 42 90.756 8.164 2.946 342 HG2 PRO 42 HG2 PRO 42 88.283 6.637 3.528 343 HG3 PRO 42 HG1 PRO 42 88.678 7.666 2.144 344 HD2 PRO 42 HD2 PRO 42 88.786 4.868 2.158 345 HD3 PRO 42 HD1 PRO 42 89.582 5.922 0.969 346 HA PRO 43 HA PRO 43 91.586 4.387 7.520 347 HB2 PRO 43 HB2 PRO 43 91.689 6.494 9.331 348 HB3 PRO 43 HB1 PRO 43 93.108 5.731 8.590 349 HG2 PRO 43 HG2 PRO 43 91.731 8.261 7.867 350 HG3 PRO 43 HG1 PRO 43 93.459 7.870 7.860 351 HD2 PRO 43 HD2 PRO 43 91.991 7.957 5.572 352 HD3 PRO 43 HD1 PRO 43 93.357 6.836 5.778 353 H LYS 44 HN LYS 44 89.919 3.825 8.978 354 HA LYS 44 HA LYS 44 87.549 5.629 9.109 355 HB2 LYS 44 HB2 LYS 44 87.623 3.402 7.452 356 HB3 LYS 44 HB1 LYS 44 86.848 2.776 8.905 357 HG2 LYS 44 HG2 LYS 44 85.047 3.627 7.635 358 HG3 LYS 44 HG1 LYS 44 85.380 4.910 8.799 359 HD2 LYS 44 HD2 LYS 44 87.060 5.682 6.851 360 HD3 LYS 44 HD1 LYS 44 85.865 4.845 5.859 361 HE2 LYS 44 HE2 LYS 44 85.024 7.040 5.966 362 HE3 LYS 44 HE1 LYS 44 84.113 6.200 7.221 363 HZ1 LYS 44 HZ1 LYS 44 86.632 7.299 8.101 364 HZ2 LYS 44 HZ2 LYS 44 85.100 7.369 8.831 365 HZ3 LYS 44 HZ3 LYS 44 85.507 8.466 7.599 366 H LYS 45 HN LYS 45 86.734 5.746 11.153 367 HA LYS 45 HA LYS 45 86.702 3.573 13.020 368 HB2 LYS 45 HB2 LYS 45 88.359 4.584 14.655 369 HB3 LYS 45 HB1 LYS 45 89.077 3.847 13.224 370 HG2 LYS 45 HG2 LYS 45 88.438 6.596 12.650 371 HG3 LYS 45 HG1 LYS 45 89.398 6.518 14.128 372 HD2 LYS 45 HD2 LYS 45 90.170 5.003 11.629 373 HD3 LYS 45 HD1 LYS 45 90.714 6.653 11.934 374 HE2 LYS 45 HE2 LYS 45 92.006 6.031 13.775 375 HE3 LYS 45 HE1 LYS 45 91.066 4.567 14.065 376 HZ1 LYS 45 HZ1 LYS 45 92.610 3.482 12.931 377 HZ2 LYS 45 HZ2 LYS 45 93.379 4.922 12.461 378 HZ3 LYS 45 HZ3 LYS 45 92.103 4.295 11.531 379 H GLY 46 HN GLY 46 84.561 4.844 12.636 380 HA2 GLY 46 HA2 GLY 46 84.066 6.435 15.020 381 HA3 GLY 46 HA1 GLY 46 83.989 7.399 13.544 382 H VAL 47 HN VAL 47 82.178 5.473 15.609 383 HA VAL 47 HA VAL 47 80.328 4.438 13.573 384 HB VAL 47 HB VAL 47 79.082 3.537 15.461 385 HG11 VAL 47 HG11 VAL 47 80.752 2.081 16.351 386 HG12 VAL 47 HG12 VAL 47 82.017 3.292 16.150 387 HG13 VAL 47 HG13 VAL 47 81.312 2.512 14.735 388 HG21 VAL 47 HG21 VAL 47 79.111 5.348 17.021 389 HG22 VAL 47 HG22 VAL 47 80.874 5.383 17.055 390 HG23 VAL 47 HG23 VAL 47 80.004 4.041 17.798 391 H GLN 48 HN GLN 48 78.163 5.179 13.306 392 HA GLN 48 HA GLN 48 76.606 6.916 12.994 393 HB2 GLN 48 HB2 GLN 48 76.330 6.141 15.444 394 HB3 GLN 48 HB1 GLN 48 77.201 7.614 15.873 395 HG2 GLN 48 HG2 GLN 48 75.488 8.848 14.396 396 HG3 GLN 48 HG1 GLN 48 74.542 7.361 14.463 397 HE21 GLN 48 HE21 GLN 48 76.098 7.264 17.333 398 HE22 GLN 48 HE22 GLN 48 75.003 8.119 18.309 399 H GLY 49 HN GLY 49 79.102 7.684 12.059 400 HA2 GLY 49 HA2 GLY 49 78.922 10.576 12.321 401 HA3 GLY 49 HA1 GLY 49 80.377 9.922 13.072 402 H1U RCY 50 H1U RCY 50 81.252 5.812 3.369 403 H1S RCY 50 H1S RCY 50 81.412 8.565 6.589 404 HB1 RCY 50 HB1 RCY 50 80.287 10.200 6.809 405 HB2 RCY 50 HB2 RCY 50 78.922 10.488 7.887 406 HA RCY 50 HA RCY 50 81.774 10.171 8.862 407 HN1 RCY 50 HN1 RCY 50 79.707 11.512 10.465 408 H GLY 51 HN GLY 51 81.224 11.651 6.466 409 HA2 GLY 51 HA2 GLY 51 82.557 14.058 6.894 410 HA3 GLY 51 HA1 GLY 51 81.424 13.820 5.561 411 H ASP 52 HN ASP 52 79.011 13.823 6.458 412 HA ASP 52 HA ASP 52 78.230 15.276 8.726 413 HB2 ASP 52 HB2 ASP 52 77.731 17.514 7.406 414 HB3 ASP 52 HB1 ASP 52 79.312 17.261 8.143 415 H ASP 53 HN ASP 53 77.733 14.490 5.362 416 HA ASP 53 HA ASP 53 75.149 13.456 5.661 417 HB2 ASP 53 HB2 ASP 53 73.962 15.485 4.417 418 HB3 ASP 53 HB1 ASP 53 74.087 15.461 6.176 419 H ILE 54 HN ILE 54 77.714 14.692 3.800 420 HA ILE 54 HA ILE 54 76.538 14.239 1.182 421 HB ILE 54 HB ILE 54 78.383 15.820 1.430 422 HG12 ILE 54 HG12 ILE 54 79.430 13.401 -0.059 423 HG13 ILE 54 HG11 ILE 54 78.109 14.394 -0.676 424 HG21 ILE 54 HG21 ILE 54 80.212 13.500 2.037 425 HG22 ILE 54 HG22 ILE 54 79.407 14.383 3.335 426 HG23 ILE 54 HG23 ILE 54 80.514 15.225 2.250 427 HD11 ILE 54 HD11 ILE 54 80.449 15.016 -1.498 428 HD12 ILE 54 HD12 ILE 54 80.771 15.570 0.145 429 HD13 ILE 54 HD13 ILE 54 79.498 16.332 -0.808 430 HA PRO 55 HA PRO 55 77.250 9.797 1.543 431 HB2 PRO 55 HB2 PRO 55 76.026 9.043 -0.754 432 HB3 PRO 55 HB1 PRO 55 75.111 9.579 0.669 433 HG2 PRO 55 HG2 PRO 55 75.787 11.083 -1.809 434 HG3 PRO 55 HG1 PRO 55 74.287 11.074 -0.867 435 HD2 PRO 55 HD2 PRO 55 76.208 13.058 -0.690 436 HD3 PRO 55 HD1 PRO 55 75.049 12.676 0.603 437 H GLY 56 HN GLY 56 79.335 11.596 0.368 438 HA2 GLY 56 HA2 GLY 56 81.418 11.070 -0.649 439 HA3 GLY 56 HA1 GLY 56 80.734 9.537 -1.193 440 H MET 57 HN MET 57 79.126 12.600 -1.751 441 HA MET 57 HA MET 57 78.823 13.852 -3.719 442 HB2 MET 57 HB2 MET 57 81.379 13.125 -4.005 443 HB3 MET 57 HB1 MET 57 80.701 12.122 -5.287 444 HG2 MET 57 HG2 MET 57 81.292 14.226 -6.290 445 HG3 MET 57 HG1 MET 57 79.534 14.200 -6.155 446 HE1 MET 57 HE1 MET 57 82.770 14.929 -4.504 447 HE2 MET 57 HE2 MET 57 82.601 16.473 -3.672 448 HE3 MET 57 HE3 MET 57 82.654 16.429 -5.433 449 H GLU 58 HN GLU 58 76.971 11.982 -3.139 450 HA GLU 58 HA GLU 58 76.272 10.909 -5.830 451 HB2 GLU 58 HB2 GLU 58 75.850 9.314 -3.290 452 HB3 GLU 58 HB1 GLU 58 75.626 8.772 -4.953 453 HG2 GLU 58 HG2 GLU 58 78.270 9.580 -3.705 454 HG3 GLU 58 HG1 GLU 58 77.754 7.926 -4.034 455 H GLY 59 HN GLY 59 74.147 9.688 -3.601 456 HA2 GLY 59 HA2 GLY 59 72.131 10.528 -2.643 457 HA3 GLY 59 HA1 GLY 59 72.531 12.129 -3.268 458 H1U RCY 60 H1U RCY 60 72.839 4.933 -2.236 459 H1S RCY 60 H1S RCY 60 72.252 5.783 -6.182 460 HB1 RCY 60 HB1 RCY 60 69.732 7.604 -7.229 461 HB2 RCY 60 HB2 RCY 60 70.460 7.225 -5.668 462 HA RCY 60 HA RCY 60 70.513 9.996 -6.888 463 HN1 RCY 60 HN1 RCY 60 71.473 8.897 -4.328 464 H GLY 61 HN GLY 61 68.748 7.720 -4.817 465 HA2 GLY 61 HA2 GLY 61 66.230 9.032 -5.400 466 HA3 GLY 61 HA1 GLY 61 66.458 7.709 -4.254 467 H THR 62 HN THR 62 68.720 9.859 -3.367 468 HA THR 62 HA THR 62 68.904 11.322 -1.552 469 HB THR 62 HB THR 62 67.466 13.198 -1.572 470 HG1 THR 62 HG1 THR 62 65.390 12.853 -2.829 471 HG21 THR 62 HG21 THR 62 67.289 12.028 -4.362 472 HG22 THR 62 HG22 THR 62 68.709 12.841 -3.705 473 HG23 THR 62 HG23 THR 62 67.208 13.737 -3.934 474 H ASP 63 HN ASP 63 66.716 8.834 -1.594 475 HA ASP 63 HA ASP 63 65.208 9.388 0.812 476 HB2 ASP 63 HB2 ASP 63 64.572 7.653 -0.894 477 HB3 ASP 63 HB1 ASP 63 65.947 6.687 -0.359 478 H ILE 64 HN ILE 64 68.308 9.550 0.665 479 HA ILE 64 HA ILE 64 68.859 7.871 3.081 480 HB ILE 64 HB ILE 64 70.189 7.174 1.136 481 HG12 ILE 64 HG12 ILE 64 71.753 8.751 3.204 482 HG13 ILE 64 HG11 ILE 64 71.294 7.051 3.305 483 HG21 ILE 64 HG21 ILE 64 71.021 8.651 -0.354 484 HG22 ILE 64 HG22 ILE 64 71.824 9.572 0.918 485 HG23 ILE 64 HG23 ILE 64 70.139 9.905 0.517 486 HD11 ILE 64 HD11 ILE 64 73.525 6.964 2.553 487 HD12 ILE 64 HD12 ILE 64 73.313 8.348 1.481 488 HD13 ILE 64 HD13 ILE 64 72.589 6.793 1.068 489 H THR 65 HN THR 65 71.078 10.277 1.963 490 HA THR 65 HA THR 65 71.531 12.473 2.715 491 HB THR 65 HB THR 65 69.574 12.218 4.977 492 HG1 THR 65 HG1 THR 65 68.813 12.946 2.357 493 HG21 THR 65 HG21 THR 65 69.320 14.597 4.591 494 HG22 THR 65 HG22 THR 65 70.240 14.493 3.090 495 HG23 THR 65 HG23 THR 65 71.043 14.224 4.637 496 H VAL 66 HN VAL 66 70.851 9.950 5.127 497 HA VAL 66 HA VAL 66 73.596 10.270 6.162 498 HB VAL 66 HB VAL 66 72.510 10.253 8.556 499 HG11 VAL 66 HG11 VAL 66 72.676 12.665 8.638 500 HG12 VAL 66 HG12 VAL 66 72.393 12.790 6.901 501 HG13 VAL 66 HG13 VAL 66 73.893 12.082 7.502 502 HG21 VAL 66 HG21 VAL 66 70.355 11.745 7.052 503 HG22 VAL 66 HG22 VAL 66 70.351 11.226 8.738 504 HG23 VAL 66 HG23 VAL 66 70.188 10.034 7.448 505 H ILE 67 HN ILE 67 70.452 8.630 6.461 506 HA ILE 67 HA ILE 67 71.939 6.063 6.852 507 HB ILE 67 HB ILE 67 69.436 7.021 8.266 508 HG12 ILE 67 HG12 ILE 67 72.050 5.973 9.385 509 HG13 ILE 67 HG11 ILE 67 71.726 7.690 9.137 510 HG21 ILE 67 HG21 ILE 67 69.009 4.740 7.711 511 HG22 ILE 67 HG22 ILE 67 69.608 4.716 9.369 512 HG23 ILE 67 HG23 ILE 67 70.678 4.273 8.038 513 HD11 ILE 67 HD11 ILE 67 71.198 7.085 11.448 514 HD12 ILE 67 HD12 ILE 67 70.125 5.802 10.889 515 HD13 ILE 67 HD13 ILE 67 69.713 7.490 10.588 516 H1U RCY 68 H1U RCY 68 73.091 1.461 -2.325 517 H1S RCY 68 H1S RCY 68 73.764 3.746 1.364 518 HB1 RCY 68 HB1 RCY 68 70.931 5.250 1.818 519 HB2 RCY 68 HB2 RCY 68 70.416 3.574 1.991 520 HA RCY 68 HA RCY 68 69.200 5.588 3.299 521 HN1 RCY 68 HN1 RCY 68 71.666 5.271 4.783 522 HA PRO 69 HA PRO 69 66.658 2.559 5.370 523 HB2 PRO 69 HB2 PRO 69 65.927 1.961 2.517 524 HB3 PRO 69 HB1 PRO 69 64.869 2.158 3.929 525 HG2 PRO 69 HG2 PRO 69 65.210 4.111 2.134 526 HG3 PRO 69 HG1 PRO 69 64.980 4.449 3.856 527 HD2 PRO 69 HD2 PRO 69 67.419 4.754 2.211 528 HD3 PRO 69 HD1 PRO 69 67.012 5.503 3.770 529 H TRP 70 HN TRP 70 68.460 1.618 2.440 530 HA TRP 70 HA TRP 70 68.461 -1.204 3.205 531 HD1 TRP 70 HD1 TRP 70 66.653 -1.154 0.967 532 HE1 TRP 70 HE1 TRP 70 65.445 0.502 -0.594 533 HE3 TRP 70 HE3 TRP 70 70.509 2.015 -0.107 534 HZ2 TRP 70 HZ2 TRP 70 66.037 2.864 -2.103 535 HZ3 TRP 70 HZ3 TRP 70 70.162 3.955 -1.605 536 HH2 TRP 70 HH2 TRP 70 67.935 4.385 -2.604 537 HB2 TRP 70 HB2 TRP 70 70.376 -0.109 1.178 538 HB3 TRP 70 HB1 TRP 70 69.443 -1.605 1.144 539 H GLU 71 HN GLU 71 69.554 0.530 5.233 540 HA GLU 71 HA GLU 71 72.177 -0.774 5.521 541 HB2 GLU 71 HB2 GLU 71 73.524 1.093 5.436 542 HB3 GLU 71 HB1 GLU 71 72.271 1.631 4.328 543 HG2 GLU 71 HG2 GLU 71 72.408 3.449 5.794 544 HG3 GLU 71 HG1 GLU 71 71.096 2.512 6.510 545 H ALA 72 HN ALA 72 69.343 0.582 6.784 546 HA ALA 72 HA ALA 72 70.082 1.300 9.416 547 HB1 ALA 72 HB1 ALA 72 67.723 0.574 10.012 548 HB2 ALA 72 HB2 ALA 72 67.557 0.017 8.347 549 HB3 ALA 72 HB3 ALA 72 67.835 1.726 8.681 550 H1U RCY 73 H1U RCY 73 73.608 0.010 2.990 551 H1S RCY 73 H1S RCY 73 71.712 -1.689 6.489 552 HB1 RCY 73 HB1 RCY 73 71.380 -5.016 8.766 553 HB2 RCY 73 HB2 RCY 73 72.529 -3.709 8.477 554 HA RCY 73 HA RCY 73 69.848 -3.610 9.836 555 HN1 RCY 73 HN1 RCY 73 70.488 -1.680 7.913 556 H ASN 74 HN ASN 74 72.522 -1.308 9.801 557 HA ASN 74 HA ASN 74 74.133 -0.792 11.429 558 HB2 ASN 74 HB2 ASN 74 71.913 -0.207 12.546 559 HB3 ASN 74 HB1 ASN 74 72.035 -1.753 13.386 560 HD21 ASN 74 HD21 ASN 74 73.314 1.511 13.233 561 HD22 ASN 74 HD22 ASN 74 74.360 1.369 14.562 562 H HIS 75 HN HIS 75 75.162 -1.789 13.575 563 HA HIS 75 HA HIS 75 76.380 -3.564 14.491 564 HD1 HIS 75 HD1 HIS 75 75.712 -7.561 13.987 565 HD2 HIS 75 HD2 HIS 75 75.591 -4.704 17.024 566 HE1 HIS 75 HE1 HIS 75 76.774 -8.633 16.021 567 HE2 HIS 75 HE2 HIS 75 76.706 -6.905 17.877 568 HB2 HIS 75 HB2 HIS 75 73.897 -4.444 14.589 569 HB3 HIS 75 HB1 HIS 75 74.430 -5.518 13.296 570 H1U RCY 76 H1U RCY 76 75.267 -3.077 2.795 571 H1S RCY 76 H1S RCY 76 75.570 -1.095 7.189 572 HB1 RCY 76 HB1 RCY 76 75.796 -4.932 8.765 573 HB2 RCY 76 HB2 RCY 76 77.267 -4.251 8.077 574 HA RCY 76 HA RCY 76 77.456 -5.491 10.345 575 HN1 RCY 76 HN1 RCY 76 75.828 -3.191 11.192 576 H GLU 77 HN GLU 77 77.881 -2.093 11.053 577 HA GLU 77 HA GLU 77 80.299 -1.557 9.699 578 HB2 GLU 77 HB2 GLU 77 79.157 0.224 10.858 579 HB3 GLU 77 HB1 GLU 77 79.295 -0.618 12.401 580 HG2 GLU 77 HG2 GLU 77 81.803 0.002 10.882 581 HG3 GLU 77 HG1 GLU 77 81.006 1.306 11.762 582 H LEU 78 HN LEU 78 79.685 -3.890 12.069 583 HA LEU 78 HA LEU 78 81.922 -4.024 13.700 584 HG LEU 78 HG LEU 78 80.991 -7.285 14.747 585 HB2 LEU 78 HB2 LEU 78 79.870 -5.757 13.041 586 HB3 LEU 78 HB1 LEU 78 81.285 -6.627 12.458 587 HD11 LEU 78 HD11 LEU 78 83.310 -6.260 13.846 588 HD12 LEU 78 HD12 LEU 78 83.132 -6.884 15.486 589 HD13 LEU 78 HD13 LEU 78 83.022 -5.150 15.186 590 HD21 LEU 78 HD21 LEU 78 80.270 -4.431 15.043 591 HD22 LEU 78 HD22 LEU 78 81.207 -5.100 16.379 592 HD23 LEU 78 HD23 LEU 78 79.672 -5.839 15.921 593 H HIS 79 HN HIS 79 84.016 -3.699 13.099 594 HA HIS 79 HA HIS 79 85.003 -4.229 10.435 595 HD1 HIS 79 HD1 HIS 79 86.782 -2.260 9.535 596 HD2 HIS 79 HD2 HIS 79 85.217 -1.032 13.201 597 HE1 HIS 79 HE1 HIS 79 86.184 0.188 9.274 598 HE2 HIS 79 HE2 HIS 79 85.230 0.947 11.499 599 HB2 HIS 79 HB2 HIS 79 86.349 -3.588 13.065 600 HB3 HIS 79 HB1 HIS 79 87.276 -3.899 11.597 601 H GLU 80 HN GLU 80 83.769 -6.569 11.615 602 HA GLU 80 HA GLU 80 86.003 -8.355 12.335 603 HB2 GLU 80 HB2 GLU 80 83.862 -8.623 13.503 604 HB3 GLU 80 HB1 GLU 80 83.041 -8.899 11.966 605 HG2 GLU 80 HG2 GLU 80 84.248 -10.943 11.593 606 HG3 GLU 80 HG1 GLU 80 85.332 -10.618 12.946 607 H LEU 81 HN LEU 81 84.013 -7.577 9.554 608 HA LEU 81 HA LEU 81 85.101 -9.907 8.065 609 HG LEU 81 HG LEU 81 83.228 -6.866 8.086 610 HB2 LEU 81 HB2 LEU 81 83.551 -8.753 6.230 611 HB3 LEU 81 HB1 LEU 81 82.866 -9.778 7.491 612 HD11 LEU 81 HD11 LEU 81 80.852 -6.569 7.146 613 HD12 LEU 81 HD12 LEU 81 81.148 -8.057 6.247 614 HD13 LEU 81 HD13 LEU 81 82.166 -6.643 5.972 615 HD21 LEU 81 HD21 LEU 81 80.960 -8.771 8.719 616 HD22 LEU 81 HD22 LEU 81 81.340 -7.246 9.520 617 HD23 LEU 81 HD23 LEU 81 82.404 -8.638 9.723 618 H ALA 82 HN ALA 82 85.709 -6.568 8.541 619 HA ALA 82 HA ALA 82 86.770 -5.908 5.947 620 HB1 ALA 82 HB1 ALA 82 86.222 -4.179 7.621 621 HB2 ALA 82 HB2 ALA 82 87.913 -4.058 7.133 622 HB3 ALA 82 HB3 ALA 82 87.492 -4.795 8.679 623 H GLN 83 HN GLN 83 89.400 -4.977 6.772 624 HA GLN 83 HA GLN 83 91.608 -5.754 6.705 625 HB2 GLN 83 HB2 GLN 83 90.282 -7.718 8.575 626 HB3 GLN 83 HB1 GLN 83 91.986 -7.874 8.154 627 HG2 GLN 83 HG2 GLN 83 91.640 -6.551 10.238 628 HG3 GLN 83 HG1 GLN 83 92.433 -5.615 8.970 629 HE21 GLN 83 HE21 GLN 83 91.152 -3.947 7.869 630 HE22 GLN 83 HE22 GLN 83 89.700 -3.376 8.537 631 H TYR 84 HN TYR 84 89.069 -7.437 5.324 632 HA TYR 84 HA TYR 84 90.713 -8.614 3.300 633 HD1 TYR 84 HD2 TYR 84 87.771 -11.024 5.268 634 HD2 TYR 84 HD1 TYR 84 91.521 -9.822 6.985 635 HE1 TYR 84 HE2 TYR 84 86.799 -11.237 7.540 636 HE2 TYR 84 HE1 TYR 84 90.549 -10.035 9.257 637 HH TYR 84 HH TYR 84 88.026 -11.702 10.027 638 HB2 TYR 84 HB2 TYR 84 89.899 -11.052 3.958 639 HB3 TYR 84 HB1 TYR 84 91.374 -10.386 4.653 640 H GLY 85 HN GLY 85 88.467 -6.969 3.266 641 HA2 GLY 85 HA2 GLY 85 86.476 -8.740 1.922 642 HA3 GLY 85 HA1 GLY 85 85.925 -7.501 3.052 643 H ILE 86 HN ILE 86 88.486 -7.386 0.563 644 HA ILE 86 HA ILE 86 88.103 -4.759 -0.250 645 HB ILE 86 HB ILE 86 89.194 -5.298 -2.314 646 HG12 ILE 86 HG12 ILE 86 87.638 -7.081 -3.024 647 HG13 ILE 86 HG11 ILE 86 89.312 -7.620 -3.158 648 HG21 ILE 86 HG21 ILE 86 90.028 -7.281 -0.175 649 HG22 ILE 86 HG22 ILE 86 90.596 -5.619 -0.328 650 HG23 ILE 86 HG23 ILE 86 91.016 -6.811 -1.558 651 HD11 ILE 86 HD11 ILE 86 88.295 -9.433 -2.078 652 HD12 ILE 86 HD12 ILE 86 87.235 -8.395 -1.124 653 HD13 ILE 86 HD13 ILE 86 88.949 -8.511 -0.724 654 H1U RCY 87 H1U RCY 87 82.913 2.448 1.627 655 H1S RCY 87 H1S RCY 87 85.178 -0.644 -0.094 656 HB1 RCY 87 HB1 RCY 87 83.522 -2.760 -3.139 657 HB2 RCY 87 HB2 RCY 87 85.188 -2.235 -2.892 658 HA RCY 87 HA RCY 87 84.129 -4.971 -2.126 659 HN1 RCY 87 HN1 RCY 87 86.728 -3.687 -1.703 Start of MODEL 50 1 HA MET 1 HA MET 1 62.841 4.470 -13.091 2 HB2 MET 1 HB2 MET 1 64.219 6.585 -13.539 3 HB3 MET 1 HB1 MET 1 64.030 6.218 -15.254 4 HG2 MET 1 HG2 MET 1 61.507 6.071 -14.773 5 HG3 MET 1 HG1 MET 1 61.876 6.852 -13.235 6 HE1 MET 1 HE1 MET 1 63.223 10.219 -13.980 7 HE2 MET 1 HE2 MET 1 63.428 8.743 -13.040 8 HE3 MET 1 HE3 MET 1 61.865 9.555 -13.062 9 H ASN 2 HN ASN 2 64.215 4.706 -16.388 10 HA ASN 2 HA ASN 2 61.938 3.683 -17.712 11 HB2 ASN 2 HB2 ASN 2 63.542 3.122 -19.570 12 HB3 ASN 2 HB1 ASN 2 63.702 4.773 -18.969 13 HD21 ASN 2 HD21 ASN 2 65.603 5.287 -17.653 14 HD22 ASN 2 HD22 ASN 2 66.952 4.256 -17.617 15 H LEU 3 HN LEU 3 62.311 1.489 -19.116 16 HA LEU 3 HA LEU 3 62.063 -0.657 -17.224 17 HG LEU 3 HG LEU 3 60.106 -0.468 -18.492 18 HB2 LEU 3 HB2 LEU 3 62.120 -0.393 -20.195 19 HB3 LEU 3 HB1 LEU 3 62.474 -1.990 -19.540 20 HD11 LEU 3 HD11 LEU 3 58.771 -1.730 -20.282 21 HD12 LEU 3 HD12 LEU 3 60.305 -1.943 -21.125 22 HD13 LEU 3 HD13 LEU 3 59.677 -0.321 -20.832 23 HD21 LEU 3 HD21 LEU 3 59.252 -2.776 -18.200 24 HD22 LEU 3 HD22 LEU 3 60.813 -2.565 -17.407 25 HD23 LEU 3 HD23 LEU 3 60.717 -3.406 -18.954 26 H GLU 4 HN GLU 4 64.121 -0.353 -16.037 27 HA GLU 4 HA GLU 4 66.604 -1.010 -17.462 28 HB2 GLU 4 HB2 GLU 4 66.423 0.636 -15.516 29 HB3 GLU 4 HB1 GLU 4 66.225 -0.772 -14.472 30 HG2 GLU 4 HG2 GLU 4 68.378 -1.661 -15.186 31 HG3 GLU 4 HG1 GLU 4 68.569 -0.347 -16.347 32 HA PRO 5 HA PRO 5 66.036 -5.461 -17.223 33 HB2 PRO 5 HB2 PRO 5 68.986 -5.262 -16.694 34 HB3 PRO 5 HB1 PRO 5 68.110 -6.365 -17.776 35 HG2 PRO 5 HG2 PRO 5 69.380 -4.205 -18.700 36 HG3 PRO 5 HG1 PRO 5 67.861 -4.771 -19.413 37 HD2 PRO 5 HD2 PRO 5 68.364 -2.356 -17.775 38 HD3 PRO 5 HD1 PRO 5 67.031 -2.697 -18.899 39 HA PRO 6 HA PRO 6 66.251 -5.425 -12.645 40 HB2 PRO 6 HB2 PRO 6 63.855 -6.566 -12.167 41 HB3 PRO 6 HB1 PRO 6 63.992 -4.866 -12.662 42 HG2 PRO 6 HG2 PRO 6 63.189 -7.235 -14.257 43 HG3 PRO 6 HG1 PRO 6 62.612 -5.564 -14.342 44 HD2 PRO 6 HD2 PRO 6 64.511 -6.731 -16.060 45 HD3 PRO 6 HD1 PRO 6 64.200 -4.991 -15.885 46 H LYS 7 HN LYS 7 67.280 -7.031 -11.503 47 HA LYS 7 HA LYS 7 67.307 -9.767 -12.626 48 HB2 LYS 7 HB2 LYS 7 69.430 -8.664 -11.902 49 HB3 LYS 7 HB1 LYS 7 68.817 -8.631 -10.251 50 HG2 LYS 7 HG2 LYS 7 68.671 -11.271 -11.574 51 HG3 LYS 7 HG1 LYS 7 70.306 -10.680 -11.276 52 HD2 LYS 7 HD2 LYS 7 68.257 -10.502 -9.089 53 HD3 LYS 7 HD1 LYS 7 69.054 -12.043 -9.404 54 HE2 LYS 7 HE2 LYS 7 71.261 -10.927 -9.179 55 HE3 LYS 7 HE1 LYS 7 70.439 -9.414 -8.798 56 HZ1 LYS 7 HZ1 LYS 7 70.731 -11.831 -7.186 57 HZ2 LYS 7 HZ2 LYS 7 69.272 -10.973 -7.042 58 HZ3 LYS 7 HZ3 LYS 7 70.749 -10.202 -6.711 59 H ALA 8 HN ALA 8 65.780 -7.974 -10.124 60 HA ALA 8 HA ALA 8 65.123 -10.400 -8.554 61 HB1 ALA 8 HB1 ALA 8 64.189 -7.552 -8.105 62 HB2 ALA 8 HB2 ALA 8 65.692 -8.198 -7.447 63 HB3 ALA 8 HB3 ALA 8 64.145 -8.884 -6.950 64 H GLU 9 HN GLU 9 63.493 -11.606 -9.405 65 HA GLU 9 HA GLU 9 61.057 -10.164 -10.386 66 HB2 GLU 9 HB2 GLU 9 62.552 -11.292 -12.180 67 HB3 GLU 9 HB1 GLU 9 61.968 -12.815 -11.507 68 HG2 GLU 9 HG2 GLU 9 60.453 -12.311 -13.267 69 HG3 GLU 9 HG1 GLU 9 59.605 -11.842 -11.793 70 H1U RCY 10 H1U RCY 10 56.936 -11.092 -2.364 71 H1S RCY 10 H1S RCY 10 61.437 -11.114 -4.031 72 HB1 RCY 10 HB1 RCY 10 61.618 -13.929 -7.353 73 HB2 RCY 10 HB2 RCY 10 60.312 -14.528 -6.332 74 HA RCY 10 HA RCY 10 59.139 -13.004 -7.629 75 HN1 RCY 10 HN1 RCY 10 61.198 -10.896 -7.757 76 H ARG 11 HN ARG 11 59.584 -10.036 -7.037 77 HA ARG 11 HA ARG 11 59.653 -9.419 -4.328 78 HE ARG 11 HE ARG 11 57.561 -5.966 -6.632 79 HB2 ARG 11 HB2 ARG 11 59.255 -7.877 -6.387 80 HB3 ARG 11 HB1 ARG 11 57.545 -8.204 -6.115 81 HG2 ARG 11 HG2 ARG 11 58.612 -7.604 -3.574 82 HG3 ARG 11 HG1 ARG 11 59.299 -6.406 -4.672 83 HD2 ARG 11 HD2 ARG 11 56.372 -7.019 -4.211 84 HD3 ARG 11 HD1 ARG 11 57.215 -5.501 -3.905 85 HH11 ARG 11 HH21 ARG 11 54.947 -5.703 -4.400 86 HH12 ARG 11 HH22 ARG 11 53.840 -5.059 -5.567 87 HH21 ARG 11 HH11 ARG 11 56.132 -5.127 -8.168 88 HH22 ARG 11 HH12 ARG 11 54.511 -4.733 -7.700 89 H SER 12 HN SER 12 57.751 -8.926 -2.855 90 HA SER 12 HA SER 12 55.859 -9.653 -1.679 91 HG SER 12 HG SER 12 53.901 -10.008 -1.807 92 HB2 SER 12 HB2 SER 12 54.893 -9.204 -4.080 93 HB3 SER 12 HB1 SER 12 54.828 -10.961 -4.186 94 H ALA 13 HN ALA 13 58.264 -11.482 -2.438 95 HA ALA 13 HA ALA 13 57.088 -14.163 -2.289 96 HB1 ALA 13 HB1 ALA 13 59.576 -14.785 -1.940 97 HB2 ALA 13 HB2 ALA 13 59.909 -13.085 -2.273 98 HB3 ALA 13 HB3 ALA 13 59.124 -14.086 -3.495 99 H THR 14 HN THR 14 59.659 -12.847 -0.203 100 HA THR 14 HA THR 14 58.541 -14.309 2.082 101 HB THR 14 HB THR 14 60.524 -13.600 3.264 102 HG1 THR 14 HG1 THR 14 61.149 -11.651 2.863 103 HG21 THR 14 HG21 THR 14 61.379 -14.005 0.392 104 HG22 THR 14 HG22 THR 14 60.725 -15.309 1.383 105 HG23 THR 14 HG23 THR 14 62.225 -14.511 1.854 106 H ARG 15 HN ARG 15 59.917 -11.435 3.153 107 HA ARG 15 HA ARG 15 57.537 -9.760 3.066 108 HE ARG 15 HE ARG 15 54.013 -8.843 6.937 109 HB2 ARG 15 HB2 ARG 15 57.033 -11.559 4.822 110 HB3 ARG 15 HB1 ARG 15 58.322 -10.836 5.784 111 HG2 ARG 15 HG2 ARG 15 57.173 -8.752 5.942 112 HG3 ARG 15 HG1 ARG 15 56.027 -9.205 4.680 113 HD2 ARG 15 HD2 ARG 15 54.984 -10.840 6.096 114 HD3 ARG 15 HD1 ARG 15 56.259 -10.694 7.306 115 HH11 ARG 15 HH21 ARG 15 57.185 -9.420 8.159 116 HH12 ARG 15 HH22 ARG 15 57.097 -8.169 9.353 117 HH21 ARG 15 HH11 ARG 15 53.879 -7.206 8.490 118 HH22 ARG 15 HH12 ARG 15 55.225 -6.915 9.541 119 H VAL 16 HN VAL 16 60.052 -9.133 2.241 120 HA VAL 16 HA VAL 16 61.564 -7.841 4.396 121 HB VAL 16 HB VAL 16 61.943 -7.452 1.420 122 HG11 VAL 16 HG11 VAL 16 63.214 -5.965 2.918 123 HG12 VAL 16 HG12 VAL 16 64.293 -7.106 2.117 124 HG13 VAL 16 HG13 VAL 16 63.827 -7.365 3.798 125 HG21 VAL 16 HG21 VAL 16 61.911 -9.833 1.721 126 HG22 VAL 16 HG22 VAL 16 62.832 -9.719 3.221 127 HG23 VAL 16 HG23 VAL 16 63.610 -9.363 1.679 128 H MET 17 HN MET 17 60.116 -6.553 1.378 129 HA MET 17 HA MET 17 60.193 -3.837 2.075 130 HB2 MET 17 HB2 MET 17 58.423 -3.499 0.439 131 HB3 MET 17 HB1 MET 17 59.514 -4.748 -0.161 132 HG2 MET 17 HG2 MET 17 57.895 -6.419 0.982 133 HG3 MET 17 HG1 MET 17 56.758 -5.072 1.019 134 HE1 MET 17 HE1 MET 17 56.236 -3.645 -0.765 135 HE2 MET 17 HE2 MET 17 55.983 -4.122 -2.442 136 HE3 MET 17 HE3 MET 17 57.560 -3.525 -1.931 137 H GLY 18 HN GLY 18 59.156 -2.661 3.616 138 HA2 GLY 18 HA2 GLY 18 57.127 -3.990 5.286 139 HA3 GLY 18 HA1 GLY 18 57.863 -2.419 5.606 140 H GLY 19 HN GLY 19 55.038 -2.917 5.733 141 HA2 GLY 19 HA2 GLY 19 53.729 -2.062 3.309 142 HA3 GLY 19 HA1 GLY 19 53.006 -2.057 4.918 143 HA PRO 20 HA PRO 20 52.832 2.373 4.918 144 HB2 PRO 20 HB2 PRO 20 54.003 2.057 7.662 145 HB3 PRO 20 HB1 PRO 20 52.615 3.030 7.136 146 HG2 PRO 20 HG2 PRO 20 52.318 0.676 8.382 147 HG3 PRO 20 HG1 PRO 20 51.187 1.242 7.143 148 HD2 PRO 20 HD2 PRO 20 53.164 -0.952 6.995 149 HD3 PRO 20 HD1 PRO 20 51.722 -0.667 5.998 150 H1U RCY 21 H1U RCY 21 61.013 7.184 7.124 151 H1S RCY 21 H1S RCY 21 60.223 3.111 5.024 152 HB1 RCY 21 HB1 RCY 21 58.570 0.450 4.180 153 HB2 RCY 21 HB2 RCY 21 57.751 -0.060 5.655 154 HA RCY 21 HA RCY 21 57.598 2.694 5.819 155 HN1 RCY 21 HN1 RCY 21 55.728 0.568 5.450 156 H THR 22 HN THR 22 57.248 4.430 4.416 157 HA THR 22 HA THR 22 57.118 3.903 1.506 158 HB THR 22 HB THR 22 56.844 6.455 1.445 159 HG1 THR 22 HG1 THR 22 55.961 6.609 3.954 160 HG21 THR 22 HG21 THR 22 54.892 4.677 2.928 161 HG22 THR 22 HG22 THR 22 54.917 5.027 1.200 162 HG23 THR 22 HG23 THR 22 54.492 6.295 2.350 163 HA PRO 23 HA PRO 23 61.602 4.235 1.165 164 HB2 PRO 23 HB2 PRO 23 60.777 5.350 -1.496 165 HB3 PRO 23 HB1 PRO 23 62.020 4.140 -1.120 166 HG2 PRO 23 HG2 PRO 23 59.634 3.443 -2.093 167 HG3 PRO 23 HG1 PRO 23 60.488 2.439 -0.910 168 HD2 PRO 23 HD2 PRO 23 58.060 4.108 -0.540 169 HD3 PRO 23 HD1 PRO 23 58.609 2.694 0.386 170 H ARG 24 HN ARG 24 62.560 5.919 2.242 171 HA ARG 24 HA ARG 24 63.195 8.108 2.793 172 HE ARG 24 HE ARG 24 62.972 11.284 -1.423 173 HB2 ARG 24 HB2 ARG 24 63.689 7.942 0.224 174 HB3 ARG 24 HB1 ARG 24 62.275 8.983 0.060 175 HG2 ARG 24 HG2 ARG 24 63.298 10.629 1.582 176 HG3 ARG 24 HG1 ARG 24 64.709 9.587 1.768 177 HD2 ARG 24 HD2 ARG 24 65.483 10.951 0.074 178 HD3 ARG 24 HD1 ARG 24 64.687 9.716 -0.901 179 HH11 ARG 24 HH21 ARG 24 65.138 12.382 1.024 180 HH12 ARG 24 HH22 ARG 24 64.558 14.014 0.992 181 HH21 ARG 24 HH11 ARG 24 62.203 13.409 -1.480 182 HH22 ARG 24 HH12 ARG 24 62.897 14.596 -0.426 183 H LYS 25 HN LYS 25 61.819 8.997 4.274 184 HA LYS 25 HA LYS 25 59.055 9.284 4.141 185 HB2 LYS 25 HB2 LYS 25 61.158 10.979 5.493 186 HB3 LYS 25 HB1 LYS 25 59.439 11.337 5.667 187 HG2 LYS 25 HG2 LYS 25 58.996 9.280 6.738 188 HG3 LYS 25 HG1 LYS 25 60.507 8.563 6.178 189 HD2 LYS 25 HD2 LYS 25 60.527 9.226 8.611 190 HD3 LYS 25 HD1 LYS 25 61.802 9.977 7.651 191 HE2 LYS 25 HE2 LYS 25 60.644 12.056 7.552 192 HE3 LYS 25 HE1 LYS 25 59.143 11.333 8.131 193 HZ1 LYS 25 HZ1 LYS 25 60.657 10.726 10.161 194 HZ2 LYS 25 HZ2 LYS 25 59.921 12.252 10.045 195 HZ3 LYS 25 HZ3 LYS 25 61.555 12.061 9.624 196 H GLY 26 HN GLY 26 61.455 11.762 3.171 197 HA2 GLY 26 HA2 GLY 26 60.474 12.622 0.795 198 HA3 GLY 26 HA1 GLY 26 59.326 13.360 1.912 199 HA PRO 27 HA PRO 27 61.756 17.019 2.361 200 HB2 PRO 27 HB2 PRO 27 61.567 16.402 5.291 201 HB3 PRO 27 HB1 PRO 27 61.282 17.935 4.444 202 HG2 PRO 27 HG2 PRO 27 59.273 16.365 5.268 203 HG3 PRO 27 HG1 PRO 27 59.171 17.339 3.792 204 HD2 PRO 27 HD2 PRO 27 59.377 14.406 4.071 205 HD3 PRO 27 HD1 PRO 27 58.832 15.369 2.680 206 HA PRO 28 HA PRO 28 65.835 15.017 2.549 207 HB2 PRO 28 HB2 PRO 28 66.664 17.892 2.620 208 HB3 PRO 28 HB1 PRO 28 67.261 16.572 1.597 209 HG2 PRO 28 HG2 PRO 28 65.603 18.434 0.652 210 HG3 PRO 28 HG1 PRO 28 65.510 16.747 0.120 211 HD2 PRO 28 HD2 PRO 28 63.672 18.253 1.921 212 HD3 PRO 28 HD1 PRO 28 63.326 16.880 0.847 213 H LYS 29 HN LYS 29 67.085 14.460 4.315 214 HA LYS 29 HA LYS 29 67.218 16.322 6.630 215 HB2 LYS 29 HB2 LYS 29 65.316 14.587 6.877 216 HB3 LYS 29 HB1 LYS 29 66.602 13.392 7.046 217 HG2 LYS 29 HG2 LYS 29 67.511 14.545 8.969 218 HG3 LYS 29 HG1 LYS 29 66.401 15.896 8.740 219 HD2 LYS 29 HD2 LYS 29 64.486 14.403 9.162 220 HD3 LYS 29 HD1 LYS 29 65.589 13.045 9.383 221 HE2 LYS 29 HE2 LYS 29 64.783 14.209 11.520 222 HE3 LYS 29 HE1 LYS 29 66.526 13.993 11.357 223 HZ1 LYS 29 HZ1 LYS 29 65.016 16.460 10.682 224 HZ2 LYS 29 HZ2 LYS 29 66.695 16.251 10.523 225 HZ3 LYS 29 HZ3 LYS 29 65.976 16.236 12.063 226 H1U RCY 30 H1U RCY 30 73.557 13.650 0.795 227 H1S RCY 30 H1S RCY 30 74.822 13.953 4.774 228 HB1 RCY 30 HB1 RCY 30 71.404 16.145 5.556 229 HB2 RCY 30 HB2 RCY 30 71.311 14.408 5.265 230 HA RCY 30 HA RCY 30 70.957 13.942 7.577 231 HN1 RCY 30 HN1 RCY 30 69.207 16.220 7.671 232 H LYS 31 HN LYS 31 72.550 14.216 9.115 233 HA LYS 31 HA LYS 31 73.420 16.919 9.888 234 HB2 LYS 31 HB2 LYS 31 72.844 16.507 12.303 235 HB3 LYS 31 HB1 LYS 31 71.437 16.730 11.265 236 HG2 LYS 31 HG2 LYS 31 72.396 13.936 11.529 237 HG3 LYS 31 HG1 LYS 31 71.701 14.642 12.988 238 HD2 LYS 31 HD2 LYS 31 69.645 15.170 11.838 239 HD3 LYS 31 HD1 LYS 31 70.340 14.715 10.282 240 HE2 LYS 31 HE2 LYS 31 68.815 12.999 11.544 241 HE3 LYS 31 HE1 LYS 31 70.301 12.429 10.784 242 HZ1 LYS 31 HZ1 LYS 31 70.508 13.398 13.525 243 HZ2 LYS 31 HZ2 LYS 31 71.305 12.105 12.764 244 HZ3 LYS 31 HZ3 LYS 31 69.704 11.921 13.301 245 H GLN 32 HN GLN 32 75.083 16.669 11.770 246 HA GLN 32 HA GLN 32 77.103 14.828 10.937 247 HB2 GLN 32 HB2 GLN 32 78.378 15.614 12.810 248 HB3 GLN 32 HB1 GLN 32 77.445 16.993 12.231 249 HG2 GLN 32 HG2 GLN 32 76.824 15.230 14.617 250 HG3 GLN 32 HG1 GLN 32 77.223 16.948 14.632 251 HE21 GLN 32 HE21 GLN 32 74.620 14.983 15.010 252 HE22 GLN 32 HE22 GLN 32 73.397 15.976 14.377 253 H ARG 33 HN ARG 33 77.514 12.736 11.551 254 HA ARG 33 HA ARG 33 75.534 11.418 13.298 255 HE ARG 33 HE ARG 33 75.097 8.968 8.165 256 HB2 ARG 33 HB2 ARG 33 77.896 10.258 11.788 257 HB3 ARG 33 HB1 ARG 33 76.615 9.335 12.573 258 HG2 ARG 33 HG2 ARG 33 74.964 10.144 11.049 259 HG3 ARG 33 HG1 ARG 33 76.050 11.385 10.423 260 HD2 ARG 33 HD2 ARG 33 77.554 9.563 9.580 261 HD3 ARG 33 HD1 ARG 33 76.338 8.387 10.080 262 HH11 ARG 33 HH21 ARG 33 77.371 11.416 9.016 263 HH12 ARG 33 HH22 ARG 33 77.054 12.384 7.616 264 HH21 ARG 33 HH11 ARG 33 74.670 10.218 6.332 265 HH22 ARG 33 HH12 ARG 33 75.524 11.706 6.096 266 H GLN 34 HN GLN 34 75.965 10.745 15.374 267 HA GLN 34 HA GLN 34 78.100 11.829 16.865 268 HB2 GLN 34 HB2 GLN 34 77.449 10.322 18.641 269 HB3 GLN 34 HB1 GLN 34 75.982 10.825 17.802 270 HG2 GLN 34 HG2 GLN 34 75.662 8.520 17.915 271 HG3 GLN 34 HG1 GLN 34 76.438 8.678 16.338 272 HE21 GLN 34 HE21 GLN 34 77.587 8.497 19.767 273 HE22 GLN 34 HE22 GLN 34 78.798 7.351 19.448 274 H THR 35 HN THR 35 78.188 9.340 14.570 275 HA THR 35 HA THR 35 80.411 7.850 15.759 276 HB THR 35 HB THR 35 80.450 6.667 13.585 277 HG1 THR 35 HG1 THR 35 79.794 8.679 12.459 278 HG21 THR 35 HG21 THR 35 77.718 7.130 14.807 279 HG22 THR 35 HG22 THR 35 78.869 5.858 15.219 280 HG23 THR 35 HG23 THR 35 78.067 5.847 13.648 281 H ARG 36 HN ARG 36 81.274 10.366 15.869 282 HA ARG 36 HA ARG 36 82.446 11.600 13.646 283 HE ARG 36 HE ARG 36 83.082 13.716 17.449 284 HB2 ARG 36 HB2 ARG 36 84.254 12.330 15.354 285 HB3 ARG 36 HB1 ARG 36 82.582 12.784 15.687 286 HG2 ARG 36 HG2 ARG 36 82.326 11.113 17.332 287 HG3 ARG 36 HG1 ARG 36 83.725 10.206 16.755 288 HD2 ARG 36 HD2 ARG 36 84.233 11.425 18.853 289 HD3 ARG 36 HD1 ARG 36 85.224 11.999 17.512 290 HH11 ARG 36 HH21 ARG 36 85.211 12.565 19.904 291 HH12 ARG 36 HH22 ARG 36 85.125 14.016 20.845 292 HH21 ARG 36 HH11 ARG 36 82.957 15.618 18.664 293 HH22 ARG 36 HH12 ARG 36 83.849 15.745 20.143 294 H GLN 37 HN GLN 37 83.126 8.508 14.855 295 HA GLN 37 HA GLN 37 85.944 8.370 14.231 296 HB2 GLN 37 HB2 GLN 37 85.592 5.909 14.312 297 HB3 GLN 37 HB1 GLN 37 84.893 6.722 15.712 298 HG2 GLN 37 HG2 GLN 37 82.693 6.774 14.417 299 HG3 GLN 37 HG1 GLN 37 83.449 5.662 13.275 300 HE21 GLN 37 HE21 GLN 37 84.962 4.793 16.013 301 HE22 GLN 37 HE22 GLN 37 83.883 3.632 16.622 302 H1U RCY 38 H1U RCY 38 81.189 5.046 8.813 303 H1S RCY 38 H1S RCY 38 81.836 7.518 9.213 304 HB1 RCY 38 HB1 RCY 38 83.434 9.381 8.608 305 HB2 RCY 38 HB2 RCY 38 83.740 10.579 9.866 306 HA RCY 38 HA RCY 38 84.528 7.650 9.926 307 HN1 RCY 38 HN1 RCY 38 84.596 9.667 12.119 308 H LYS 39 HN LYS 39 86.894 7.438 9.968 309 HA LYS 39 HA LYS 39 88.801 9.431 9.738 310 HB2 LYS 39 HB2 LYS 39 90.166 7.810 8.464 311 HB3 LYS 39 HB1 LYS 39 89.378 7.047 9.843 312 HG2 LYS 39 HG2 LYS 39 88.173 7.028 7.067 313 HG3 LYS 39 HG1 LYS 39 89.246 5.752 7.646 314 HD2 LYS 39 HD2 LYS 39 87.567 5.811 9.727 315 HD3 LYS 39 HD1 LYS 39 86.462 6.418 8.493 316 HE2 LYS 39 HE2 LYS 39 87.264 4.428 7.059 317 HE3 LYS 39 HE1 LYS 39 87.921 3.777 8.561 318 HZ1 LYS 39 HZ1 LYS 39 85.726 3.923 9.549 319 HZ2 LYS 39 HZ2 LYS 39 85.683 2.968 8.145 320 HZ3 LYS 39 HZ3 LYS 39 85.092 4.560 8.110 321 H SER 40 HN SER 40 89.740 10.547 7.990 322 HA SER 40 HA SER 40 87.849 11.232 5.851 323 HG SER 40 HG SER 40 89.308 13.962 5.050 324 HB2 SER 40 HB2 SER 40 89.119 13.031 6.906 325 HB3 SER 40 HB1 SER 40 90.638 12.243 6.487 326 H LYS 41 HN LYS 41 91.349 10.893 5.392 327 HA LYS 41 HA LYS 41 91.122 9.846 2.780 328 HB2 LYS 41 HB2 LYS 41 93.522 8.799 3.596 329 HB3 LYS 41 HB1 LYS 41 93.303 10.455 3.042 330 HG2 LYS 41 HG2 LYS 41 94.471 10.476 5.187 331 HG3 LYS 41 HG1 LYS 41 92.853 11.146 5.402 332 HD2 LYS 41 HD2 LYS 41 92.045 9.158 6.417 333 HD3 LYS 41 HD1 LYS 41 93.436 8.220 5.871 334 HE2 LYS 41 HE2 LYS 41 93.478 8.893 8.325 335 HE3 LYS 41 HE1 LYS 41 94.905 9.347 7.394 336 HZ1 LYS 41 HZ1 LYS 41 93.304 11.023 8.862 337 HZ2 LYS 41 HZ2 LYS 41 92.887 11.346 7.247 338 HZ3 LYS 41 HZ3 LYS 41 94.503 11.483 7.754 339 HA PRO 42 HA PRO 42 89.778 5.720 3.967 340 HB2 PRO 42 HB2 PRO 42 89.378 4.723 1.476 341 HB3 PRO 42 HB1 PRO 42 88.278 5.909 2.206 342 HG2 PRO 42 HG2 PRO 42 90.428 6.327 0.192 343 HG3 PRO 42 HG1 PRO 42 88.819 7.060 0.296 344 HD2 PRO 42 HD2 PRO 42 91.146 8.313 1.124 345 HD3 PRO 42 HD1 PRO 42 89.527 8.712 1.738 346 HA PRO 43 HA PRO 43 93.451 3.257 3.529 347 HB2 PRO 43 HB2 PRO 43 92.464 0.733 3.760 348 HB3 PRO 43 HB1 PRO 43 92.500 1.869 5.124 349 HG2 PRO 43 HG2 PRO 43 90.224 1.117 3.359 350 HG3 PRO 43 HG1 PRO 43 90.253 1.395 5.108 351 HD2 PRO 43 HD2 PRO 43 89.364 3.263 3.288 352 HD3 PRO 43 HD1 PRO 43 90.031 3.681 4.881 353 H LYS 44 HN LYS 44 94.605 2.830 1.693 354 HA LYS 44 HA LYS 44 95.119 2.112 -0.479 355 HB2 LYS 44 HB2 LYS 44 94.257 -0.060 0.667 356 HB3 LYS 44 HB1 LYS 44 92.792 0.203 -0.278 357 HG2 LYS 44 HG2 LYS 44 94.609 0.546 -2.232 358 HG3 LYS 44 HG1 LYS 44 95.528 -0.545 -1.193 359 HD2 LYS 44 HD2 LYS 44 92.764 -1.038 -2.338 360 HD3 LYS 44 HD1 LYS 44 94.252 -1.878 -2.776 361 HE2 LYS 44 HE2 LYS 44 93.567 -3.396 -1.220 362 HE3 LYS 44 HE1 LYS 44 94.241 -2.239 -0.072 363 HZ1 LYS 44 HZ1 LYS 44 91.778 -1.245 -0.535 364 HZ2 LYS 44 HZ2 LYS 44 92.197 -2.228 0.786 365 HZ3 LYS 44 HZ3 LYS 44 91.492 -2.916 -0.598 366 H LYS 45 HN LYS 45 94.332 2.252 -2.702 367 HA LYS 45 HA LYS 45 92.064 4.126 -2.938 368 HB2 LYS 45 HB2 LYS 45 94.156 3.099 -4.868 369 HB3 LYS 45 HB1 LYS 45 92.795 4.087 -5.400 370 HG2 LYS 45 HG2 LYS 45 93.483 5.941 -4.086 371 HG3 LYS 45 HG1 LYS 45 94.595 4.954 -3.136 372 HD2 LYS 45 HD2 LYS 45 96.125 4.744 -4.940 373 HD3 LYS 45 HD1 LYS 45 94.937 5.309 -6.116 374 HE2 LYS 45 HE2 LYS 45 95.904 7.053 -3.844 375 HE3 LYS 45 HE1 LYS 45 96.721 7.007 -5.406 376 HZ1 LYS 45 HZ1 LYS 45 94.253 8.265 -4.677 377 HZ2 LYS 45 HZ2 LYS 45 94.096 7.280 -6.053 378 HZ3 LYS 45 HZ3 LYS 45 95.245 8.531 -6.027 379 H GLY 46 HN GLY 46 91.124 3.429 -5.496 380 HA2 GLY 46 HA2 GLY 46 89.380 1.189 -4.806 381 HA3 GLY 46 HA1 GLY 46 89.316 2.129 -6.298 382 H VAL 47 HN VAL 47 89.993 1.085 -8.103 383 HA VAL 47 HA VAL 47 90.961 -0.567 -9.456 384 HB VAL 47 HB VAL 47 93.128 -0.837 -7.377 385 HG11 VAL 47 HG11 VAL 47 94.524 -0.897 -9.465 386 HG12 VAL 47 HG12 VAL 47 93.037 -0.809 -10.408 387 HG13 VAL 47 HG13 VAL 47 93.343 -2.204 -9.373 388 HG21 VAL 47 HG21 VAL 47 92.850 1.525 -7.418 389 HG22 VAL 47 HG22 VAL 47 92.511 1.533 -9.149 390 HG23 VAL 47 HG23 VAL 47 94.145 1.207 -8.572 391 H GLN 48 HN GLN 48 89.286 -1.276 -6.928 392 HA GLN 48 HA GLN 48 89.419 -4.147 -7.320 393 HB2 GLN 48 HB2 GLN 48 91.349 -3.875 -5.804 394 HB3 GLN 48 HB1 GLN 48 90.317 -3.041 -4.641 395 HG2 GLN 48 HG2 GLN 48 88.997 -5.007 -4.268 396 HG3 GLN 48 HG1 GLN 48 89.740 -5.841 -5.634 397 HE21 GLN 48 HE21 GLN 48 90.389 -4.636 -2.335 398 HE22 GLN 48 HE22 GLN 48 91.753 -5.612 -2.072 399 H GLY 49 HN GLY 49 87.353 -4.846 -7.051 400 HA2 GLY 49 HA2 GLY 49 85.111 -4.887 -6.364 401 HA3 GLY 49 HA1 GLY 49 85.683 -4.217 -4.835 402 H1U RCY 50 H1U RCY 50 81.142 -1.472 -1.252 403 H1S RCY 50 H1S RCY 50 81.606 1.582 -4.791 404 HB1 RCY 50 HB1 RCY 50 83.682 -0.202 -5.761 405 HB2 RCY 50 HB2 RCY 50 82.485 -1.481 -5.555 406 HA RCY 50 HA RCY 50 82.606 -1.654 -8.168 407 HN1 RCY 50 HN1 RCY 50 83.734 -3.585 -7.464 408 H GLY 51 HN GLY 51 83.206 -0.141 -9.668 409 HA2 GLY 51 HA2 GLY 51 86.026 0.399 -10.077 410 HA3 GLY 51 HA1 GLY 51 84.700 1.080 -11.020 411 H ASP 52 HN ASP 52 87.191 2.170 -9.427 412 HA ASP 52 HA ASP 52 86.453 3.825 -7.321 413 HB2 ASP 52 HB2 ASP 52 88.147 5.488 -8.347 414 HB3 ASP 52 HB1 ASP 52 88.736 3.872 -7.957 415 H ASP 53 HN ASP 53 86.804 5.355 -10.512 416 HA ASP 53 HA ASP 53 85.095 7.516 -10.023 417 HB2 ASP 53 HB2 ASP 53 84.927 7.772 -12.441 418 HB3 ASP 53 HB1 ASP 53 86.565 7.260 -12.034 419 H ILE 54 HN ILE 54 82.883 7.882 -10.997 420 HA ILE 54 HA ILE 54 80.917 6.248 -9.934 421 HB ILE 54 HB ILE 54 80.468 7.548 -12.613 422 HG12 ILE 54 HG12 ILE 54 80.031 9.609 -10.945 423 HG13 ILE 54 HG11 ILE 54 81.328 8.813 -10.051 424 HG21 ILE 54 HG21 ILE 54 78.287 7.919 -11.791 425 HG22 ILE 54 HG22 ILE 54 78.790 7.715 -10.113 426 HG23 ILE 54 HG23 ILE 54 78.692 6.315 -11.180 427 HD11 ILE 54 HD11 ILE 54 82.449 8.708 -12.462 428 HD12 ILE 54 HD12 ILE 54 82.588 10.151 -11.457 429 HD13 ILE 54 HD13 ILE 54 81.395 10.091 -12.755 430 HA PRO 55 HA PRO 55 81.565 2.761 -12.791 431 HB2 PRO 55 HB2 PRO 55 80.731 0.796 -11.139 432 HB3 PRO 55 HB1 PRO 55 82.312 1.576 -10.936 433 HG2 PRO 55 HG2 PRO 55 79.804 1.974 -9.399 434 HG3 PRO 55 HG1 PRO 55 81.486 2.000 -8.847 435 HD2 PRO 55 HD2 PRO 55 79.923 4.265 -9.398 436 HD3 PRO 55 HD1 PRO 55 81.693 4.243 -9.253 437 H GLY 56 HN GLY 56 78.668 2.716 -10.671 438 HA2 GLY 56 HA2 GLY 56 77.013 1.423 -12.647 439 HA3 GLY 56 HA1 GLY 56 76.428 2.226 -11.189 440 H MET 57 HN MET 57 78.433 4.253 -13.016 441 HA MET 57 HA MET 57 77.942 6.232 -14.178 442 HB2 MET 57 HB2 MET 57 77.445 4.492 -15.915 443 HB3 MET 57 HB1 MET 57 75.761 4.509 -15.394 444 HG2 MET 57 HG2 MET 57 76.765 7.204 -15.882 445 HG3 MET 57 HG1 MET 57 76.901 6.185 -17.315 446 HE1 MET 57 HE1 MET 57 74.709 8.786 -16.028 447 HE2 MET 57 HE2 MET 57 73.659 8.536 -17.420 448 HE3 MET 57 HE3 MET 57 75.409 8.516 -17.629 449 H GLU 58 HN GLU 58 76.685 5.906 -11.596 450 HA GLU 58 HA GLU 58 74.478 7.839 -11.954 451 HB2 GLU 58 HB2 GLU 58 74.147 5.123 -10.653 452 HB3 GLU 58 HB1 GLU 58 73.044 6.466 -10.353 453 HG2 GLU 58 HG2 GLU 58 72.686 6.633 -12.841 454 HG3 GLU 58 HG1 GLU 58 73.630 5.154 -13.020 455 H GLY 59 HN GLY 59 76.861 6.224 -9.988 456 HA2 GLY 59 HA2 GLY 59 77.995 7.015 -8.083 457 HA3 GLY 59 HA1 GLY 59 77.141 8.546 -8.279 458 H1U RCY 60 H1U RCY 60 76.106 8.366 -1.219 459 H1S RCY 60 H1S RCY 60 74.722 10.037 -4.615 460 HB1 RCY 60 HB1 RCY 60 72.319 7.370 -5.255 461 HB2 RCY 60 HB2 RCY 60 72.109 7.335 -7.006 462 HA RCY 60 HA RCY 60 74.429 6.305 -5.374 463 HN1 RCY 60 HN1 RCY 60 74.586 6.747 -8.330 464 H GLY 61 HN GLY 61 72.832 5.650 -8.496 465 HA2 GLY 61 HA2 GLY 61 71.152 3.557 -7.805 466 HA3 GLY 61 HA1 GLY 61 72.027 3.597 -9.336 467 H THR 62 HN THR 62 73.992 2.426 -9.520 468 HA THR 62 HA THR 62 75.162 0.393 -9.146 469 HB THR 62 HB THR 62 76.547 0.571 -7.066 470 HG1 THR 62 HG1 THR 62 75.912 1.839 -5.530 471 HG21 THR 62 HG21 THR 62 76.207 3.023 -8.806 472 HG22 THR 62 HG22 THR 62 77.362 1.707 -9.016 473 HG23 THR 62 HG23 THR 62 77.539 2.828 -7.666 474 H ASP 63 HN ASP 63 72.389 0.061 -8.578 475 HA ASP 63 HA ASP 63 71.935 -1.096 -5.989 476 HB2 ASP 63 HB2 ASP 63 70.001 -2.266 -7.311 477 HB3 ASP 63 HB1 ASP 63 69.968 -0.512 -7.124 478 H ILE 64 HN ILE 64 74.294 -2.087 -7.730 479 HA ILE 64 HA ILE 64 73.803 -4.977 -7.187 480 HB ILE 64 HB ILE 64 75.189 -4.028 -9.705 481 HG12 ILE 64 HG12 ILE 64 72.880 -5.057 -10.630 482 HG13 ILE 64 HG11 ILE 64 72.294 -4.402 -9.101 483 HG21 ILE 64 HG21 ILE 64 73.900 -6.690 -9.064 484 HG22 ILE 64 HG22 ILE 64 75.594 -6.346 -8.713 485 HG23 ILE 64 HG23 ILE 64 75.015 -6.317 -10.379 486 HD11 ILE 64 HD11 ILE 64 72.048 -2.605 -10.616 487 HD12 ILE 64 HD12 ILE 64 73.597 -2.935 -11.393 488 HD13 ILE 64 HD13 ILE 64 73.554 -2.243 -9.771 489 H THR 65 HN THR 65 76.263 -2.659 -8.332 490 HA THR 65 HA THR 65 78.620 -2.779 -8.035 491 HB THR 65 HB THR 65 77.749 -1.352 -6.186 492 HG1 THR 65 HG1 THR 65 79.748 -2.925 -5.032 493 HG21 THR 65 HG21 THR 65 77.498 -2.364 -3.941 494 HG22 THR 65 HG22 THR 65 77.778 -3.960 -4.639 495 HG23 THR 65 HG23 THR 65 76.342 -3.040 -5.088 496 H VAL 66 HN VAL 66 77.495 -5.369 -8.451 497 HA VAL 66 HA VAL 66 78.205 -7.599 -8.322 498 HB VAL 66 HB VAL 66 80.387 -6.735 -6.415 499 HG11 VAL 66 HG11 VAL 66 81.595 -8.583 -7.498 500 HG12 VAL 66 HG12 VAL 66 80.235 -8.847 -8.588 501 HG13 VAL 66 HG13 VAL 66 80.052 -9.150 -6.860 502 HG21 VAL 66 HG21 VAL 66 81.709 -6.534 -8.677 503 HG22 VAL 66 HG22 VAL 66 80.750 -5.165 -8.114 504 HG23 VAL 66 HG23 VAL 66 80.115 -6.230 -9.368 505 H ILE 67 HN ILE 67 78.540 -5.876 -5.221 506 HA ILE 67 HA ILE 67 76.689 -7.872 -4.002 507 HB ILE 67 HB ILE 67 79.276 -6.883 -2.759 508 HG12 ILE 67 HG12 ILE 67 78.458 -9.704 -3.505 509 HG13 ILE 67 HG11 ILE 67 79.438 -8.676 -4.552 510 HG21 ILE 67 HG21 ILE 67 77.788 -7.121 -0.959 511 HG22 ILE 67 HG22 ILE 67 78.542 -8.713 -1.046 512 HG23 ILE 67 HG23 ILE 67 76.932 -8.462 -1.721 513 HD11 ILE 67 HD11 ILE 67 81.190 -8.538 -2.915 514 HD12 ILE 67 HD12 ILE 67 80.757 -10.242 -3.051 515 HD13 ILE 67 HD13 ILE 67 80.179 -9.292 -1.682 516 H1U RCY 68 H1U RCY 68 71.862 2.718 -2.046 517 H1S RCY 68 H1S RCY 68 72.841 -1.991 -2.586 518 HB1 RCY 68 HB1 RCY 68 72.728 -4.069 -3.032 519 HB2 RCY 68 HB2 RCY 68 73.413 -4.921 -4.412 520 HA RCY 68 HA RCY 68 75.516 -3.622 -2.901 521 HN1 RCY 68 HN1 RCY 68 75.022 -6.257 -4.058 522 HA PRO 69 HA PRO 69 75.474 -4.860 1.401 523 HB2 PRO 69 HB2 PRO 69 73.960 -2.259 1.417 524 HB3 PRO 69 HB1 PRO 69 75.165 -2.857 2.577 525 HG2 PRO 69 HG2 PRO 69 75.827 -1.152 0.637 526 HG3 PRO 69 HG1 PRO 69 76.929 -2.442 1.146 527 HD2 PRO 69 HD2 PRO 69 75.443 -2.173 -1.390 528 HD3 PRO 69 HD1 PRO 69 76.842 -3.201 -1.012 529 H TRP 70 HN TRP 70 72.358 -3.285 0.428 530 HA TRP 70 HA TRP 70 70.825 -4.734 2.331 531 HD1 TRP 70 HD1 TRP 70 69.696 -5.746 -1.301 532 HE1 TRP 70 HE1 TRP 70 69.901 -4.835 -3.703 533 HE3 TRP 70 HE3 TRP 70 70.172 -0.759 -0.314 534 HZ2 TRP 70 HZ2 TRP 70 70.225 -2.319 -5.033 535 HZ3 TRP 70 HZ3 TRP 70 70.427 0.869 -2.160 536 HH2 TRP 70 HH2 TRP 70 70.454 0.100 -4.516 537 HB2 TRP 70 HB2 TRP 70 68.850 -4.114 1.024 538 HB3 TRP 70 HB1 TRP 70 69.951 -2.747 1.150 539 H GLU 71 HN GLU 71 72.553 -6.013 -0.152 540 HA GLU 71 HA GLU 71 70.614 -8.234 -0.634 541 HB2 GLU 71 HB2 GLU 71 71.834 -6.914 -2.542 542 HB3 GLU 71 HB1 GLU 71 73.225 -7.904 -2.100 543 HG2 GLU 71 HG2 GLU 71 71.883 -9.947 -2.430 544 HG3 GLU 71 HG1 GLU 71 70.488 -8.961 -2.870 545 H ALA 72 HN ALA 72 73.834 -7.469 0.589 546 HA ALA 72 HA ALA 72 74.567 -10.261 1.007 547 HB1 ALA 72 HB1 ALA 72 76.375 -8.717 0.712 548 HB2 ALA 72 HB2 ALA 72 76.419 -9.205 2.406 549 HB3 ALA 72 HB3 ALA 72 75.743 -7.639 1.957 550 H1U RCY 73 H1U RCY 73 70.211 -7.821 0.648 551 H1S RCY 73 H1S RCY 73 71.898 -6.795 4.228 552 HB1 RCY 73 HB1 RCY 73 74.388 -7.588 6.541 553 HB2 RCY 73 HB2 RCY 73 72.686 -7.129 6.493 554 HA RCY 73 HA RCY 73 73.662 -9.509 5.547 555 HN1 RCY 73 HN1 RCY 73 74.176 -7.632 3.410 556 H ASN 74 HN ASN 74 71.649 -7.836 3.229 557 HA ASN 74 HA ASN 74 69.353 -8.034 2.792 558 HB2 ASN 74 HB2 ASN 74 69.136 -10.260 4.797 559 HB3 ASN 74 HB1 ASN 74 68.366 -10.100 3.218 560 HD21 ASN 74 HD21 ASN 74 69.804 -12.475 3.949 561 HD22 ASN 74 HD22 ASN 74 71.186 -12.582 2.970 562 H HIS 75 HN HIS 75 70.644 -7.277 5.774 563 HA HIS 75 HA HIS 75 68.177 -5.912 6.578 564 HD1 HIS 75 HD1 HIS 75 66.511 -9.285 8.607 565 HD2 HIS 75 HD2 HIS 75 66.689 -5.136 8.210 566 HE1 HIS 75 HE1 HIS 75 64.167 -8.425 9.032 567 HE2 HIS 75 HE2 HIS 75 64.262 -5.900 8.793 568 HB2 HIS 75 HB2 HIS 75 68.737 -8.479 7.643 569 HB3 HIS 75 HB1 HIS 75 69.149 -7.332 8.915 570 H1U RCY 76 H1U RCY 76 72.161 2.994 9.934 571 H1S RCY 76 H1S RCY 76 72.075 0.036 6.090 572 HB1 RCY 76 HB1 RCY 76 70.732 -1.144 8.513 573 HB2 RCY 76 HB2 RCY 76 69.138 -1.845 8.228 574 HA RCY 76 HA RCY 76 71.692 -3.262 7.441 575 HN1 RCY 76 HN1 RCY 76 69.005 -3.910 6.958 576 H GLU 77 HN GLU 77 69.594 -4.930 9.495 577 HA GLU 77 HA GLU 77 70.582 -3.962 12.042 578 HB2 GLU 77 HB2 GLU 77 69.053 -6.407 11.158 579 HB3 GLU 77 HB1 GLU 77 69.640 -6.262 12.815 580 HG2 GLU 77 HG2 GLU 77 67.358 -5.404 12.695 581 HG3 GLU 77 HG1 GLU 77 68.466 -4.066 12.997 582 H LEU 78 HN LEU 78 71.210 -7.010 10.246 583 HA LEU 78 HA LEU 78 73.225 -8.052 11.877 584 HG LEU 78 HG LEU 78 72.921 -10.251 11.106 585 HB2 LEU 78 HB2 LEU 78 72.725 -8.159 8.916 586 HB3 LEU 78 HB1 LEU 78 74.222 -8.841 9.553 587 HD11 LEU 78 HD11 LEU 78 70.573 -8.897 9.752 588 HD12 LEU 78 HD12 LEU 78 70.976 -8.874 11.469 589 HD13 LEU 78 HD13 LEU 78 70.422 -10.368 10.713 590 HD21 LEU 78 HD21 LEU 78 71.781 -10.548 8.319 591 HD22 LEU 78 HD22 LEU 78 72.150 -11.823 9.480 592 HD23 LEU 78 HD23 LEU 78 73.459 -10.939 8.696 593 H HIS 79 HN HIS 79 75.361 -7.547 12.256 594 HA HIS 79 HA HIS 79 76.653 -5.469 10.554 595 HD1 HIS 79 HD1 HIS 79 77.897 -3.896 10.368 596 HD2 HIS 79 HD2 HIS 79 78.356 -3.357 14.479 597 HE1 HIS 79 HE1 HIS 79 79.840 -2.299 10.668 598 HE2 HIS 79 HE2 HIS 79 80.130 -1.963 13.165 599 HB2 HIS 79 HB2 HIS 79 75.630 -4.347 12.541 600 HB3 HIS 79 HB1 HIS 79 76.602 -5.385 13.586 601 H GLU 80 HN GLU 80 77.371 -7.265 13.573 602 HA GLU 80 HA GLU 80 80.126 -7.675 12.858 603 HB2 GLU 80 HB2 GLU 80 78.421 -9.245 14.815 604 HB3 GLU 80 HB1 GLU 80 80.184 -9.210 14.767 605 HG2 GLU 80 HG2 GLU 80 78.475 -6.740 15.156 606 HG3 GLU 80 HG1 GLU 80 79.161 -7.670 16.489 607 H LEU 81 HN LEU 81 77.354 -9.017 11.564 608 HA LEU 81 HA LEU 81 78.595 -11.661 11.022 609 HG LEU 81 HG LEU 81 75.142 -12.373 11.915 610 HB2 LEU 81 HB2 LEU 81 75.850 -10.491 10.546 611 HB3 LEU 81 HB1 LEU 81 76.352 -11.984 9.754 612 HD11 LEU 81 HD11 LEU 81 77.948 -13.250 12.421 613 HD12 LEU 81 HD12 LEU 81 77.213 -13.737 10.894 614 HD13 LEU 81 HD13 LEU 81 76.458 -14.194 12.421 615 HD21 LEU 81 HD21 LEU 81 76.243 -10.262 12.943 616 HD22 LEU 81 HD22 LEU 81 77.625 -11.310 13.263 617 HD23 LEU 81 HD23 LEU 81 76.057 -11.675 13.982 618 H ALA 82 HN ALA 82 79.280 -8.834 9.888 619 HA ALA 82 HA ALA 82 78.712 -8.713 7.136 620 HB1 ALA 82 HB1 ALA 82 81.118 -7.658 7.058 621 HB2 ALA 82 HB2 ALA 82 81.044 -7.821 8.813 622 HB3 ALA 82 HB3 ALA 82 79.846 -6.841 7.967 623 H GLN 83 HN GLN 83 78.721 -10.892 6.321 624 HA GLN 83 HA GLN 83 80.799 -12.766 6.528 625 HB2 GLN 83 HB2 GLN 83 78.634 -13.231 5.415 626 HB3 GLN 83 HB1 GLN 83 79.104 -12.187 4.074 627 HG2 GLN 83 HG2 GLN 83 80.813 -13.653 3.371 628 HG3 GLN 83 HG1 GLN 83 80.846 -14.498 4.920 629 HE21 GLN 83 HE21 GLN 83 77.651 -13.807 3.842 630 HE22 GLN 83 HE22 GLN 83 77.283 -15.348 3.232 631 H TYR 84 HN TYR 84 80.910 -9.673 5.168 632 HA TYR 84 HA TYR 84 83.679 -9.851 4.479 633 HD1 TYR 84 HD1 TYR 84 80.042 -9.552 2.461 634 HD2 TYR 84 HD2 TYR 84 83.805 -8.337 0.782 635 HE1 TYR 84 HE1 TYR 84 78.874 -7.875 1.056 636 HE2 TYR 84 HE2 TYR 84 82.636 -6.660 -0.622 637 HH TYR 84 HH TYR 84 80.135 -5.366 -0.240 638 HB2 TYR 84 HB2 TYR 84 83.724 -10.197 2.211 639 HB3 TYR 84 HB1 TYR 84 82.190 -11.017 2.505 640 H GLY 85 HN GLY 85 80.868 -8.229 5.095 641 HA2 GLY 85 HA2 GLY 85 80.598 -5.854 3.905 642 HA3 GLY 85 HA1 GLY 85 80.728 -5.900 5.662 643 H ILE 86 HN ILE 86 83.327 -6.334 6.198 644 HA ILE 86 HA ILE 86 85.365 -5.174 6.366 645 HB ILE 86 HB ILE 86 84.887 -5.126 3.371 646 HG12 ILE 86 HG12 ILE 86 85.342 -7.281 4.821 647 HG13 ILE 86 HG11 ILE 86 86.208 -7.052 3.301 648 HG21 ILE 86 HG21 ILE 86 87.170 -4.089 5.038 649 HG22 ILE 86 HG22 ILE 86 86.383 -3.337 3.651 650 HG23 ILE 86 HG23 ILE 86 87.465 -4.710 3.414 651 HD11 ILE 86 HD11 ILE 86 87.394 -5.921 5.809 652 HD12 ILE 86 HD12 ILE 86 88.203 -6.514 4.359 653 HD13 ILE 86 HD13 ILE 86 87.526 -7.656 5.520 654 H1U RCY 87 H1U RCY 87 79.911 0.097 -1.323 655 H1S RCY 87 H1S RCY 87 83.185 1.767 0.760 656 HB1 RCY 87 HB1 RCY 87 82.161 -1.052 3.077 657 HB2 RCY 87 HB2 RCY 87 83.647 -1.635 2.331 658 HA RCY 87 HA RCY 87 84.670 -0.790 4.673 659 HN1 RCY 87 HN1 RCY 87 84.027 -3.337 3.633 Start of MODEL 51 1 HA MET 1 HA MET 1 59.819 0.881 13.769 2 HB2 MET 1 HB2 MET 1 58.176 2.872 12.193 3 HB3 MET 1 HB1 MET 1 58.575 2.911 13.911 4 HG2 MET 1 HG2 MET 1 60.971 3.199 13.330 5 HG3 MET 1 HG1 MET 1 60.539 3.222 11.621 6 HE1 MET 1 HE1 MET 1 60.679 5.399 10.501 7 HE2 MET 1 HE2 MET 1 61.980 5.412 11.689 8 HE3 MET 1 HE3 MET 1 61.007 6.860 11.441 9 H ASN 2 HN ASN 2 57.160 1.410 14.316 10 HA ASN 2 HA ASN 2 55.909 -1.107 13.443 11 HB2 ASN 2 HB2 ASN 2 54.778 1.037 15.263 12 HB3 ASN 2 HB1 ASN 2 54.234 -0.635 15.124 13 HD21 ASN 2 HD21 ASN 2 56.113 1.363 17.043 14 HD22 ASN 2 HD22 ASN 2 57.139 0.195 17.726 15 H LEU 3 HN LEU 3 55.960 0.009 11.147 16 HA LEU 3 HA LEU 3 53.829 1.963 10.684 17 HG LEU 3 HG LEU 3 56.788 1.696 10.247 18 HB2 LEU 3 HB2 LEU 3 55.366 0.305 8.662 19 HB3 LEU 3 HB1 LEU 3 54.441 1.770 8.337 20 HD11 LEU 3 HD11 LEU 3 58.013 2.837 8.348 21 HD12 LEU 3 HD12 LEU 3 56.683 2.360 7.293 22 HD13 LEU 3 HD13 LEU 3 57.671 1.128 8.077 23 HD21 LEU 3 HD21 LEU 3 56.695 4.202 9.619 24 HD22 LEU 3 HD22 LEU 3 55.429 3.591 10.684 25 HD23 LEU 3 HD23 LEU 3 55.093 3.847 8.972 26 H GLU 4 HN GLU 4 52.832 0.775 8.219 27 HA GLU 4 HA GLU 4 50.545 -0.549 9.125 28 HB2 GLU 4 HB2 GLU 4 51.863 -0.129 6.552 29 HB3 GLU 4 HB1 GLU 4 51.024 -1.679 6.603 30 HG2 GLU 4 HG2 GLU 4 49.539 0.151 5.815 31 HG3 GLU 4 HG1 GLU 4 48.959 -0.565 7.319 32 HA PRO 5 HA PRO 5 51.716 -4.502 10.782 33 HB2 PRO 5 HB2 PRO 5 49.618 -5.467 8.859 34 HB3 PRO 5 HB1 PRO 5 49.869 -5.906 10.561 35 HG2 PRO 5 HG2 PRO 5 47.996 -4.143 9.799 36 HG3 PRO 5 HG1 PRO 5 48.859 -4.004 11.338 37 HD2 PRO 5 HD2 PRO 5 49.054 -2.292 8.948 38 HD3 PRO 5 HD1 PRO 5 49.588 -1.964 10.610 39 HA PRO 6 HA PRO 6 54.152 -5.670 7.074 40 HB2 PRO 6 HB2 PRO 6 56.565 -5.829 8.263 41 HB3 PRO 6 HB1 PRO 6 55.831 -4.264 7.861 42 HG2 PRO 6 HG2 PRO 6 56.060 -5.618 10.488 43 HG3 PRO 6 HG1 PRO 6 56.110 -3.893 10.095 44 HD2 PRO 6 HD2 PRO 6 53.874 -5.301 11.089 45 HD3 PRO 6 HD1 PRO 6 53.854 -3.671 10.381 46 H LYS 7 HN LYS 7 54.633 -7.767 6.396 47 HA LYS 7 HA LYS 7 53.965 -9.976 8.128 48 HB2 LYS 7 HB2 LYS 7 55.205 -9.776 5.379 49 HB3 LYS 7 HB1 LYS 7 54.996 -11.331 6.186 50 HG2 LYS 7 HG2 LYS 7 52.642 -11.132 6.219 51 HG3 LYS 7 HG1 LYS 7 52.698 -9.395 5.913 52 HD2 LYS 7 HD2 LYS 7 53.470 -9.758 3.645 53 HD3 LYS 7 HD1 LYS 7 53.632 -11.491 3.933 54 HE2 LYS 7 HE2 LYS 7 51.315 -11.832 3.989 55 HE3 LYS 7 HE1 LYS 7 50.978 -10.139 4.355 56 HZ1 LYS 7 HZ1 LYS 7 52.363 -10.579 1.860 57 HZ2 LYS 7 HZ2 LYS 7 51.034 -9.579 2.206 58 HZ3 LYS 7 HZ3 LYS 7 50.800 -11.235 1.911 59 H ALA 8 HN ALA 8 56.727 -10.899 6.460 60 HA ALA 8 HA ALA 8 58.877 -10.063 8.073 61 HB1 ALA 8 HB1 ALA 8 57.231 -12.279 9.243 62 HB2 ALA 8 HB2 ALA 8 58.072 -10.963 10.061 63 HB3 ALA 8 HB3 ALA 8 58.983 -12.338 9.436 64 H GLU 9 HN GLU 9 59.386 -10.378 5.686 65 HA GLU 9 HA GLU 9 59.954 -13.203 4.957 66 HB2 GLU 9 HB2 GLU 9 60.266 -10.678 3.304 67 HB3 GLU 9 HB1 GLU 9 60.369 -12.337 2.713 68 HG2 GLU 9 HG2 GLU 9 57.916 -11.095 3.993 69 HG3 GLU 9 HG1 GLU 9 58.142 -11.339 2.261 70 H1U RCY 10 H1U RCY 10 60.996 -10.613 2.738 71 H1S RCY 10 H1S RCY 10 63.543 -14.019 2.255 72 HB1 RCY 10 HB1 RCY 10 63.968 -13.327 6.019 73 HB2 RCY 10 HB2 RCY 10 65.572 -13.162 5.304 74 HA RCY 10 HA RCY 10 64.258 -11.211 4.697 75 HN1 RCY 10 HN1 RCY 10 62.158 -12.503 3.193 76 H ARG 11 HN ARG 11 62.939 -12.415 1.925 77 HA ARG 11 HA ARG 11 65.422 -11.865 0.411 78 HE ARG 11 HE ARG 11 64.686 -16.880 0.083 79 HB2 ARG 11 HB2 ARG 11 64.191 -14.537 0.724 80 HB3 ARG 11 HB1 ARG 11 64.505 -14.078 -0.949 81 HG2 ARG 11 HG2 ARG 11 66.822 -13.812 -0.566 82 HG3 ARG 11 HG1 ARG 11 66.612 -13.728 1.183 83 HD2 ARG 11 HD2 ARG 11 67.436 -15.970 -0.033 84 HD3 ARG 11 HD1 ARG 11 66.425 -16.011 1.412 85 HH11 ARG 11 HH21 ARG 11 67.089 -15.296 -1.814 86 HH12 ARG 11 HH22 ARG 11 66.385 -15.752 -3.329 87 HH21 ARG 11 HH11 ARG 11 63.752 -17.486 -1.885 88 HH22 ARG 11 HH12 ARG 11 64.496 -16.992 -3.369 89 H SER 12 HN SER 12 62.306 -13.401 -0.428 90 HA SER 12 HA SER 12 60.652 -12.728 -1.946 91 HG SER 12 HG SER 12 61.353 -10.387 0.552 92 HB2 SER 12 HB2 SER 12 61.565 -9.891 -1.480 93 HB3 SER 12 HB1 SER 12 59.942 -10.478 -1.827 94 H ALA 13 HN ALA 13 61.436 -13.483 -3.905 95 HA ALA 13 HA ALA 13 62.273 -11.587 -5.874 96 HB1 ALA 13 HB1 ALA 13 64.433 -11.530 -4.887 97 HB2 ALA 13 HB2 ALA 13 64.591 -12.651 -6.239 98 HB3 ALA 13 HB3 ALA 13 64.432 -13.269 -4.595 99 H THR 14 HN THR 14 62.617 -12.649 -7.982 100 HA THR 14 HA THR 14 62.373 -15.527 -8.234 101 HB THR 14 HB THR 14 59.955 -13.885 -9.045 102 HG1 THR 14 HG1 THR 14 60.087 -15.785 -6.965 103 HG21 THR 14 HG21 THR 14 60.285 -15.851 -10.427 104 HG22 THR 14 HG22 THR 14 58.956 -16.169 -9.312 105 HG23 THR 14 HG23 THR 14 60.551 -16.855 -9.002 106 H ARG 15 HN ARG 15 63.773 -15.711 -9.930 107 HA ARG 15 HA ARG 15 64.803 -15.269 -11.997 108 HE ARG 15 HE ARG 15 61.772 -18.811 -13.622 109 HB2 ARG 15 HB2 ARG 15 61.975 -14.423 -12.702 110 HB3 ARG 15 HB1 ARG 15 63.243 -14.846 -13.852 111 HG2 ARG 15 HG2 ARG 15 63.242 -17.118 -13.199 112 HG3 ARG 15 HG1 ARG 15 62.386 -16.774 -11.695 113 HD2 ARG 15 HD2 ARG 15 60.329 -16.475 -12.784 114 HD3 ARG 15 HD1 ARG 15 61.092 -16.173 -14.345 115 HH11 ARG 15 HH21 ARG 15 58.982 -16.890 -14.266 116 HH12 ARG 15 HH22 ARG 15 58.049 -18.213 -14.881 117 HH21 ARG 15 HH11 ARG 15 60.569 -20.550 -14.422 118 HH22 ARG 15 HH12 ARG 15 58.948 -20.286 -14.970 119 H VAL 16 HN VAL 16 65.261 -13.254 -10.208 120 HA VAL 16 HA VAL 16 65.294 -10.859 -9.934 121 HB VAL 16 HB VAL 16 67.438 -11.753 -10.916 122 HG11 VAL 16 HG11 VAL 16 66.761 -10.472 -13.513 123 HG12 VAL 16 HG12 VAL 16 66.036 -12.050 -13.206 124 HG13 VAL 16 HG13 VAL 16 67.789 -11.866 -13.180 125 HG21 VAL 16 HG21 VAL 16 68.253 -9.507 -11.621 126 HG22 VAL 16 HG22 VAL 16 67.270 -9.426 -10.159 127 HG23 VAL 16 HG23 VAL 16 66.581 -8.951 -11.711 128 H MET 17 HN MET 17 63.168 -10.085 -10.292 129 HA MET 17 HA MET 17 62.868 -8.316 -12.531 130 HB2 MET 17 HB2 MET 17 62.034 -11.038 -12.969 131 HB3 MET 17 HB1 MET 17 60.603 -10.011 -12.952 132 HG2 MET 17 HG2 MET 17 63.091 -9.482 -14.604 133 HG3 MET 17 HG1 MET 17 61.602 -10.194 -15.225 134 HE1 MET 17 HE1 MET 17 62.211 -6.415 -16.408 135 HE2 MET 17 HE2 MET 17 62.931 -8.021 -16.494 136 HE3 MET 17 HE3 MET 17 63.451 -6.895 -15.242 137 H GLY 18 HN GLY 18 62.497 -7.045 -10.579 138 HA2 GLY 18 HA2 GLY 18 59.935 -7.560 -9.166 139 HA3 GLY 18 HA1 GLY 18 61.183 -6.426 -8.644 140 H GLY 19 HN GLY 19 58.323 -6.813 -10.538 141 HA2 GLY 19 HA2 GLY 19 57.077 -5.284 -11.819 142 HA3 GLY 19 HA1 GLY 19 57.662 -4.097 -10.652 143 HA PRO 20 HA PRO 20 59.313 -3.185 -14.989 144 HB2 PRO 20 HB2 PRO 20 58.392 -0.458 -14.263 145 HB3 PRO 20 HB1 PRO 20 58.117 -1.381 -15.752 146 HG2 PRO 20 HG2 PRO 20 56.177 -0.953 -13.960 147 HG3 PRO 20 HG1 PRO 20 56.274 -2.444 -14.911 148 HD2 PRO 20 HD2 PRO 20 56.989 -1.994 -12.034 149 HD3 PRO 20 HD1 PRO 20 56.269 -3.425 -12.807 150 H1U RCY 21 H1U RCY 21 62.706 -2.168 -8.759 151 H1S RCY 21 H1S RCY 21 62.430 -3.531 -12.900 152 HB1 RCY 21 HB1 RCY 21 64.288 -0.539 -14.265 153 HB2 RCY 21 HB2 RCY 21 63.348 -0.426 -15.753 154 HA RCY 21 HA RCY 21 62.337 -0.428 -12.903 155 HN1 RCY 21 HN1 RCY 21 60.499 -0.664 -15.239 156 H THR 22 HN THR 22 61.512 1.605 -12.344 157 HA THR 22 HA THR 22 61.732 3.745 -14.434 158 HB THR 22 HB THR 22 59.969 3.624 -11.971 159 HG1 THR 22 HG1 THR 22 58.443 3.847 -13.920 160 HG21 THR 22 HG21 THR 22 60.363 5.737 -14.101 161 HG22 THR 22 HG22 THR 22 60.610 5.910 -12.364 162 HG23 THR 22 HG23 THR 22 58.981 5.708 -13.007 163 HA PRO 23 HA PRO 23 65.211 4.663 -11.558 164 HB2 PRO 23 HB2 PRO 23 65.677 6.694 -13.693 165 HB3 PRO 23 HB1 PRO 23 66.815 5.547 -12.959 166 HG2 PRO 23 HG2 PRO 23 65.851 5.187 -15.419 167 HG3 PRO 23 HG1 PRO 23 66.170 3.824 -14.332 168 HD2 PRO 23 HD2 PRO 23 63.547 5.034 -15.116 169 HD3 PRO 23 HD1 PRO 23 63.941 3.343 -14.734 170 H ARG 24 HN ARG 24 65.414 6.340 -10.042 171 HA ARG 24 HA ARG 24 63.289 8.424 -10.133 172 HE ARG 24 HE ARG 24 61.967 10.854 -6.523 173 HB2 ARG 24 HB2 ARG 24 63.500 6.980 -8.097 174 HB3 ARG 24 HB1 ARG 24 65.118 7.631 -7.845 175 HG2 ARG 24 HG2 ARG 24 63.864 9.057 -6.498 176 HG3 ARG 24 HG1 ARG 24 63.874 9.958 -8.015 177 HD2 ARG 24 HD2 ARG 24 61.699 8.807 -8.604 178 HD3 ARG 24 HD1 ARG 24 61.668 8.171 -6.959 179 HH11 ARG 24 HH21 ARG 24 59.905 8.960 -8.535 180 HH12 ARG 24 HH22 ARG 24 58.588 10.084 -8.470 181 HH21 ARG 24 HH11 ARG 24 60.260 12.332 -6.427 182 HH22 ARG 24 HH12 ARG 24 58.790 11.994 -7.277 183 H LYS 25 HN LYS 25 64.283 9.910 -11.576 184 HA LYS 25 HA LYS 25 66.988 10.778 -11.419 185 HB2 LYS 25 HB2 LYS 25 66.351 12.579 -12.854 186 HB3 LYS 25 HB1 LYS 25 65.331 11.217 -13.307 187 HG2 LYS 25 HG2 LYS 25 64.531 13.480 -11.449 188 HG3 LYS 25 HG1 LYS 25 63.987 13.277 -13.115 189 HD2 LYS 25 HD2 LYS 25 63.165 10.945 -12.354 190 HD3 LYS 25 HD1 LYS 25 63.350 11.566 -10.714 191 HE2 LYS 25 HE2 LYS 25 61.833 13.421 -11.212 192 HE3 LYS 25 HE1 LYS 25 61.693 12.883 -12.886 193 HZ1 LYS 25 HZ1 LYS 25 61.007 10.658 -11.708 194 HZ2 LYS 25 HZ2 LYS 25 59.872 11.889 -11.994 195 HZ3 LYS 25 HZ3 LYS 25 60.565 11.710 -10.454 196 H GLY 26 HN GLY 26 67.495 13.201 -10.859 197 HA2 GLY 26 HA2 GLY 26 67.681 14.848 -9.199 198 HA3 GLY 26 HA1 GLY 26 65.996 14.514 -8.799 199 HA PRO 27 HA PRO 27 68.599 11.435 -6.173 200 HB2 PRO 27 HB2 PRO 27 71.405 12.172 -6.454 201 HB3 PRO 27 HB1 PRO 27 70.623 10.632 -6.848 202 HG2 PRO 27 HG2 PRO 27 71.650 12.351 -8.695 203 HG3 PRO 27 HG1 PRO 27 70.360 11.185 -9.027 204 HD2 PRO 27 HD2 PRO 27 70.153 14.140 -8.549 205 HD3 PRO 27 HD1 PRO 27 69.212 13.105 -9.650 206 HA PRO 28 HA PRO 28 69.231 13.762 -2.468 207 HB2 PRO 28 HB2 PRO 28 71.952 12.579 -2.089 208 HB3 PRO 28 HB1 PRO 28 70.577 12.627 -0.968 209 HG2 PRO 28 HG2 PRO 28 71.249 10.399 -2.272 210 HG3 PRO 28 HG1 PRO 28 69.561 10.808 -1.924 211 HD2 PRO 28 HD2 PRO 28 71.022 10.906 -4.521 212 HD3 PRO 28 HD1 PRO 28 69.294 10.634 -4.206 213 H LYS 29 HN LYS 29 70.544 15.540 -1.493 214 HA LYS 29 HA LYS 29 71.894 17.096 -3.582 215 HB2 LYS 29 HB2 LYS 29 70.316 17.992 -1.722 216 HB3 LYS 29 HB1 LYS 29 71.726 17.872 -0.670 217 HG2 LYS 29 HG2 LYS 29 73.003 19.337 -2.145 218 HG3 LYS 29 HG1 LYS 29 71.666 19.391 -3.294 219 HD2 LYS 29 HD2 LYS 29 71.127 21.298 -2.155 220 HD3 LYS 29 HD1 LYS 29 70.377 20.161 -1.035 221 HE2 LYS 29 HE2 LYS 29 72.402 20.123 0.335 222 HE3 LYS 29 HE1 LYS 29 73.223 21.184 -0.810 223 HZ1 LYS 29 HZ1 LYS 29 72.467 22.635 0.798 224 HZ2 LYS 29 HZ2 LYS 29 71.003 21.804 1.025 225 HZ3 LYS 29 HZ3 LYS 29 71.244 22.739 -0.373 226 H1U RCY 30 H1U RCY 30 77.470 10.417 -4.682 227 H1S RCY 30 H1S RCY 30 75.311 12.283 -3.529 228 HB1 RCY 30 HB1 RCY 30 77.149 14.965 -2.896 229 HB2 RCY 30 HB2 RCY 30 76.039 15.183 -4.249 230 HA RCY 30 HA RCY 30 75.864 16.574 -1.558 231 HN1 RCY 30 HN1 RCY 30 74.089 17.274 -3.820 232 H LYS 31 HN LYS 31 78.181 17.105 -2.129 233 HA LYS 31 HA LYS 31 78.231 19.550 -3.809 234 HB2 LYS 31 HB2 LYS 31 79.119 19.690 -1.513 235 HB3 LYS 31 HB1 LYS 31 80.258 18.395 -1.870 236 HG2 LYS 31 HG2 LYS 31 80.717 20.180 -3.934 237 HG3 LYS 31 HG1 LYS 31 80.404 21.247 -2.564 238 HD2 LYS 31 HD2 LYS 31 82.328 18.915 -2.421 239 HD3 LYS 31 HD1 LYS 31 82.832 20.547 -2.859 240 HE2 LYS 31 HE2 LYS 31 82.027 21.415 -0.728 241 HE3 LYS 31 HE1 LYS 31 81.384 19.831 -0.293 242 HZ1 LYS 31 HZ1 LYS 31 83.403 19.066 0.247 243 HZ2 LYS 31 HZ2 LYS 31 83.823 20.707 0.378 244 HZ3 LYS 31 HZ3 LYS 31 84.175 19.849 -1.045 245 H GLN 32 HN GLN 32 81.233 17.998 -3.362 246 HA GLN 32 HA GLN 32 81.230 16.268 -5.661 247 HB2 GLN 32 HB2 GLN 32 81.015 18.407 -6.869 248 HB3 GLN 32 HB1 GLN 32 82.448 19.021 -6.043 249 HG2 GLN 32 HG2 GLN 32 83.858 17.390 -7.097 250 HG3 GLN 32 HG1 GLN 32 82.468 16.505 -7.726 251 HE21 GLN 32 HE21 GLN 32 83.643 16.923 -9.886 252 HE22 GLN 32 HE22 GLN 32 83.332 18.394 -10.674 253 H ARG 33 HN ARG 33 82.961 14.923 -5.418 254 HA ARG 33 HA ARG 33 85.014 15.663 -3.409 255 HE ARG 33 HE ARG 33 81.321 13.269 -6.514 256 HB2 ARG 33 HB2 ARG 33 85.711 13.217 -3.795 257 HB3 ARG 33 HB1 ARG 33 84.141 13.483 -3.037 258 HG2 ARG 33 HG2 ARG 33 84.194 13.364 -6.015 259 HG3 ARG 33 HG1 ARG 33 84.445 11.847 -5.150 260 HD2 ARG 33 HD2 ARG 33 82.337 11.921 -4.139 261 HD3 ARG 33 HD1 ARG 33 82.188 13.665 -4.353 262 HH11 ARG 33 HH21 ARG 33 82.929 10.507 -5.221 263 HH12 ARG 33 HH22 ARG 33 82.441 9.455 -6.508 264 HH21 ARG 33 HH11 ARG 33 80.675 11.912 -8.202 265 HH22 ARG 33 HH12 ARG 33 81.165 10.251 -8.195 266 H GLN 34 HN GLN 34 86.141 13.357 -5.599 267 HA GLN 34 HA GLN 34 87.222 15.097 -7.630 268 HB2 GLN 34 HB2 GLN 34 89.538 15.165 -6.948 269 HB3 GLN 34 HB1 GLN 34 88.572 15.791 -5.614 270 HG2 GLN 34 HG2 GLN 34 89.665 12.971 -5.860 271 HG3 GLN 34 HG1 GLN 34 90.237 14.217 -4.749 272 HE21 GLN 34 HE21 GLN 34 88.212 15.212 -3.414 273 HE22 GLN 34 HE22 GLN 34 87.182 14.040 -2.744 274 H THR 35 HN THR 35 87.449 12.069 -5.833 275 HA THR 35 HA THR 35 87.403 10.526 -8.281 276 HB THR 35 HB THR 35 89.943 10.152 -6.709 277 HG1 THR 35 HG1 THR 35 90.575 11.505 -8.807 278 HG21 THR 35 HG21 THR 35 90.680 9.030 -8.649 279 HG22 THR 35 HG22 THR 35 89.463 9.803 -9.664 280 HG23 THR 35 HG23 THR 35 88.987 8.557 -8.510 281 H ARG 36 HN ARG 36 89.087 8.441 -6.679 282 HA ARG 36 HA ARG 36 87.284 7.867 -4.421 283 HE ARG 36 HE ARG 36 86.805 7.675 -8.747 284 HB2 ARG 36 HB2 ARG 36 86.698 5.616 -5.289 285 HB3 ARG 36 HB1 ARG 36 86.060 6.900 -6.315 286 HG2 ARG 36 HG2 ARG 36 88.469 6.549 -7.493 287 HG3 ARG 36 HG1 ARG 36 88.203 4.916 -6.880 288 HD2 ARG 36 HD2 ARG 36 87.239 4.988 -9.078 289 HD3 ARG 36 HD1 ARG 36 85.895 5.014 -7.936 290 HH11 ARG 36 HH21 ARG 36 84.786 4.953 -9.380 291 HH12 ARG 36 HH22 ARG 36 83.627 5.857 -10.296 292 HH21 ARG 36 HH11 ARG 36 85.303 8.872 -9.940 293 HH22 ARG 36 HH12 ARG 36 83.920 8.076 -10.613 294 H GLN 37 HN GLN 37 89.357 8.154 -3.319 295 HA GLN 37 HA GLN 37 91.643 6.514 -3.916 296 HB2 GLN 37 HB2 GLN 37 91.446 8.674 -2.443 297 HB3 GLN 37 HB1 GLN 37 91.057 7.543 -1.147 298 HG2 GLN 37 HG2 GLN 37 93.179 6.260 -1.926 299 HG3 GLN 37 HG1 GLN 37 93.600 7.761 -2.750 300 HE21 GLN 37 HE21 GLN 37 94.420 9.479 -1.474 301 HE22 GLN 37 HE22 GLN 37 94.563 9.411 0.216 302 H1U RCY 38 H1U RCY 38 85.858 0.805 4.449 303 H1S RCY 38 H1S RCY 38 88.057 0.387 0.482 304 HB1 RCY 38 HB1 RCY 38 88.848 4.474 -0.874 305 HB2 RCY 38 HB2 RCY 38 89.184 3.853 0.739 306 HA RCY 38 HA RCY 38 91.414 3.834 0.359 307 HN1 RCY 38 HN1 RCY 38 91.813 5.744 -0.931 308 H LYS 39 HN LYS 39 90.606 3.418 -3.091 309 HA LYS 39 HA LYS 39 91.146 1.686 -4.574 310 HB2 LYS 39 HB2 LYS 39 93.467 1.201 -2.687 311 HB3 LYS 39 HB1 LYS 39 93.391 0.838 -4.411 312 HG2 LYS 39 HG2 LYS 39 93.087 3.302 -4.840 313 HG3 LYS 39 HG1 LYS 39 93.396 3.581 -3.126 314 HD2 LYS 39 HD2 LYS 39 95.508 3.864 -4.178 315 HD3 LYS 39 HD1 LYS 39 95.568 2.250 -3.469 316 HE2 LYS 39 HE2 LYS 39 95.354 1.187 -5.533 317 HE3 LYS 39 HE1 LYS 39 94.578 2.582 -6.284 318 HZ1 LYS 39 HZ1 LYS 39 97.436 2.293 -5.546 319 HZ2 LYS 39 HZ2 LYS 39 96.735 3.765 -6.026 320 HZ3 LYS 39 HZ3 LYS 39 96.785 2.453 -7.105 321 H SER 40 HN SER 40 92.551 0.076 -1.746 322 HA SER 40 HA SER 40 90.231 -1.793 -1.675 323 HG SER 40 HG SER 40 92.935 -4.275 -1.148 324 HB2 SER 40 HB2 SER 40 91.664 -3.071 -3.027 325 HB3 SER 40 HB1 SER 40 93.113 -2.470 -2.225 326 H LYS 41 HN LYS 41 92.676 -0.008 -0.095 327 HA LYS 41 HA LYS 41 93.038 -1.463 2.305 328 HB2 LYS 41 HB2 LYS 41 93.015 1.503 1.717 329 HB3 LYS 41 HB1 LYS 41 93.367 0.873 3.326 330 HG2 LYS 41 HG2 LYS 41 95.246 -0.412 2.466 331 HG3 LYS 41 HG1 LYS 41 94.855 0.061 0.812 332 HD2 LYS 41 HD2 LYS 41 95.405 2.352 1.240 333 HD3 LYS 41 HD1 LYS 41 95.489 2.074 2.980 334 HE2 LYS 41 HE2 LYS 41 97.735 2.202 1.784 335 HE3 LYS 41 HE1 LYS 41 97.479 0.759 2.765 336 HZ1 LYS 41 HZ1 LYS 41 97.483 -0.553 0.975 337 HZ2 LYS 41 HZ2 LYS 41 98.225 0.752 0.179 338 HZ3 LYS 41 HZ3 LYS 41 96.547 0.518 0.050 339 HA PRO 42 HA PRO 42 89.022 -1.208 4.164 340 HB2 PRO 42 HB2 PRO 42 89.656 -1.473 6.803 341 HB3 PRO 42 HB1 PRO 42 89.779 -2.815 5.648 342 HG2 PRO 42 HG2 PRO 42 91.926 -1.052 6.719 343 HG3 PRO 42 HG1 PRO 42 91.942 -2.799 6.423 344 HD2 PRO 42 HD2 PRO 42 93.073 -0.978 4.706 345 HD3 PRO 42 HD1 PRO 42 92.433 -2.550 4.176 346 HA PRO 43 HA PRO 43 88.392 2.988 5.496 347 HB2 PRO 43 HB2 PRO 43 86.030 2.775 6.838 348 HB3 PRO 43 HB1 PRO 43 86.145 2.618 5.074 349 HG2 PRO 43 HG2 PRO 43 85.930 0.490 7.144 350 HG3 PRO 43 HG1 PRO 43 85.157 0.601 5.554 351 HD2 PRO 43 HD2 PRO 43 87.378 -0.943 6.043 352 HD3 PRO 43 HD1 PRO 43 86.999 -0.251 4.450 353 H LYS 44 HN LYS 44 88.707 4.354 7.312 354 HA LYS 44 HA LYS 44 90.085 3.285 9.559 355 HB2 LYS 44 HB2 LYS 44 88.882 5.932 8.859 356 HB3 LYS 44 HB1 LYS 44 89.289 5.649 10.551 357 HG2 LYS 44 HG2 LYS 44 91.589 5.167 9.991 358 HG3 LYS 44 HG1 LYS 44 91.224 5.193 8.265 359 HD2 LYS 44 HD2 LYS 44 92.173 7.322 8.703 360 HD3 LYS 44 HD1 LYS 44 90.435 7.615 8.648 361 HE2 LYS 44 HE2 LYS 44 91.587 8.704 10.605 362 HE3 LYS 44 HE1 LYS 44 90.291 7.599 11.064 363 HZ1 LYS 44 HZ1 LYS 44 93.140 6.792 10.910 364 HZ2 LYS 44 HZ2 LYS 44 91.850 5.923 11.594 365 HZ3 LYS 44 HZ3 LYS 44 92.408 7.345 12.337 366 H LYS 45 HN LYS 45 88.978 4.321 11.854 367 HA LYS 45 HA LYS 45 86.989 2.354 12.515 368 HB2 LYS 45 HB2 LYS 45 87.983 4.830 13.943 369 HB3 LYS 45 HB1 LYS 45 86.769 3.758 14.638 370 HG2 LYS 45 HG2 LYS 45 88.942 3.070 15.464 371 HG3 LYS 45 HG1 LYS 45 88.372 1.847 14.328 372 HD2 LYS 45 HD2 LYS 45 89.859 2.525 12.648 373 HD3 LYS 45 HD1 LYS 45 90.078 4.126 13.356 374 HE2 LYS 45 HE2 LYS 45 91.967 2.313 13.631 375 HE3 LYS 45 HE1 LYS 45 91.546 3.350 14.994 376 HZ1 LYS 45 HZ1 LYS 45 91.684 0.914 15.490 377 HZ2 LYS 45 HZ2 LYS 45 90.295 0.704 14.534 378 HZ3 LYS 45 HZ3 LYS 45 90.227 1.658 15.938 379 H GLY 46 HN GLY 46 85.233 2.684 11.027 380 HA2 GLY 46 HA2 GLY 46 83.923 5.098 10.456 381 HA3 GLY 46 HA1 GLY 46 83.104 3.536 10.503 382 H VAL 47 HN VAL 47 82.877 2.753 12.958 383 HA VAL 47 HA VAL 47 81.507 3.109 14.840 384 HB VAL 47 HB VAL 47 83.485 5.394 15.031 385 HG11 VAL 47 HG11 VAL 47 82.904 5.008 17.557 386 HG12 VAL 47 HG12 VAL 47 81.408 4.323 16.924 387 HG13 VAL 47 HG13 VAL 47 81.828 5.999 16.571 388 HG21 VAL 47 HG21 VAL 47 84.733 3.867 16.459 389 HG22 VAL 47 HG22 VAL 47 84.412 3.064 14.922 390 HG23 VAL 47 HG23 VAL 47 83.453 2.660 16.346 391 H GLN 48 HN GLN 48 79.649 3.644 13.500 392 HA GLN 48 HA GLN 48 78.081 5.187 12.517 393 HB2 GLN 48 HB2 GLN 48 77.011 6.408 14.545 394 HB3 GLN 48 HB1 GLN 48 77.015 4.645 14.544 395 HG2 GLN 48 HG2 GLN 48 78.992 4.605 15.972 396 HG3 GLN 48 HG1 GLN 48 79.112 6.364 15.903 397 HE21 GLN 48 HE21 GLN 48 77.796 7.581 17.338 398 HE22 GLN 48 HE22 GLN 48 76.692 6.880 18.419 399 H GLY 49 HN GLY 49 79.630 6.535 11.287 400 HA2 GLY 49 HA2 GLY 49 79.515 9.046 10.899 401 HA3 GLY 49 HA1 GLY 49 80.069 9.207 12.567 402 H1U RCY 50 H1U RCY 50 82.625 3.687 5.125 403 H1S RCY 50 H1S RCY 50 80.522 7.214 6.220 404 HB1 RCY 50 HB1 RCY 50 82.968 6.800 7.764 405 HB2 RCY 50 HB2 RCY 50 84.089 8.133 7.488 406 HA RCY 50 HA RCY 50 83.688 7.330 9.939 407 HN1 RCY 50 HN1 RCY 50 81.024 8.103 9.342 408 H GLY 51 HN GLY 51 83.209 10.260 8.021 409 HA2 GLY 51 HA2 GLY 51 85.267 11.595 9.714 410 HA3 GLY 51 HA1 GLY 51 84.862 12.053 8.059 411 H ASP 52 HN ASP 52 82.968 13.316 7.691 412 HA ASP 52 HA ASP 52 81.297 14.111 9.969 413 HB2 ASP 52 HB2 ASP 52 83.194 16.061 8.630 414 HB3 ASP 52 HB1 ASP 52 81.836 16.554 9.643 415 H ASP 53 HN ASP 53 81.735 13.484 6.749 416 HA ASP 53 HA ASP 53 79.556 15.287 5.826 417 HB2 ASP 53 HB2 ASP 53 81.440 13.425 4.354 418 HB3 ASP 53 HB1 ASP 53 80.132 14.310 3.567 419 H ILE 54 HN ILE 54 77.833 14.195 6.977 420 HA ILE 54 HA ILE 54 77.004 11.646 5.653 421 HB ILE 54 HB ILE 54 76.530 12.199 8.589 422 HG12 ILE 54 HG12 ILE 54 78.427 10.296 8.653 423 HG13 ILE 54 HG11 ILE 54 78.944 11.140 7.192 424 HG21 ILE 54 HG21 ILE 54 75.173 10.500 7.208 425 HG22 ILE 54 HG22 ILE 54 75.925 9.904 8.688 426 HG23 ILE 54 HG23 ILE 54 76.663 9.560 7.124 427 HD11 ILE 54 HD11 ILE 54 78.581 13.291 8.688 428 HD12 ILE 54 HD12 ILE 54 80.075 12.362 8.813 429 HD13 ILE 54 HD13 ILE 54 78.799 12.147 10.012 430 HA PRO 55 HA PRO 55 73.566 14.709 5.671 431 HB2 PRO 55 HB2 PRO 55 73.260 14.978 2.998 432 HB3 PRO 55 HB1 PRO 55 74.519 15.848 3.896 433 HG2 PRO 55 HG2 PRO 55 74.754 13.514 2.106 434 HG3 PRO 55 HG1 PRO 55 75.925 14.790 2.464 435 HD2 PRO 55 HD2 PRO 55 75.862 12.167 3.578 436 HD3 PRO 55 HD1 PRO 55 76.922 13.508 4.060 437 H GLY 56 HN GLY 56 73.389 12.635 2.776 438 HA2 GLY 56 HA2 GLY 56 70.629 11.954 3.350 439 HA3 GLY 56 HA1 GLY 56 71.589 11.325 2.014 440 H MET 57 HN MET 57 73.596 10.614 4.397 441 HA MET 57 HA MET 57 72.570 7.870 4.611 442 HB2 MET 57 HB2 MET 57 74.875 8.391 6.299 443 HB3 MET 57 HB1 MET 57 74.745 7.334 4.898 444 HG2 MET 57 HG2 MET 57 75.027 9.311 3.411 445 HG3 MET 57 HG1 MET 57 75.244 10.325 4.838 446 HE1 MET 57 HE1 MET 57 77.532 10.686 2.961 447 HE2 MET 57 HE2 MET 57 76.924 9.259 2.127 448 HE3 MET 57 HE3 MET 57 78.605 9.316 2.651 449 H GLU 58 HN GLU 58 70.788 7.863 5.971 450 HA GLU 58 HA GLU 58 71.275 7.972 8.811 451 HB2 GLU 58 HB2 GLU 58 71.107 10.445 8.133 452 HB3 GLU 58 HB1 GLU 58 69.405 10.122 7.799 453 HG2 GLU 58 HG2 GLU 58 69.523 10.928 10.059 454 HG3 GLU 58 HG1 GLU 58 69.230 9.190 10.154 455 H GLY 59 HN GLY 59 69.036 7.863 6.108 456 HA2 GLY 59 HA2 GLY 59 66.805 6.851 7.685 457 HA3 GLY 59 HA1 GLY 59 66.901 6.870 5.923 458 H1U RCY 60 H1U RCY 60 69.043 9.452 5.175 459 H1S RCY 60 H1S RCY 60 71.131 5.617 6.309 460 HB1 RCY 60 HB1 RCY 60 71.172 2.437 7.828 461 HB2 RCY 60 HB2 RCY 60 70.300 2.839 9.307 462 HA RCY 60 HA RCY 60 69.404 2.978 6.489 463 HN1 RCY 60 HN1 RCY 60 69.406 5.436 7.918 464 H GLY 61 HN GLY 61 67.551 1.765 6.402 465 HA2 GLY 61 HA2 GLY 61 66.676 0.034 8.327 466 HA3 GLY 61 HA1 GLY 61 65.800 1.508 8.742 467 H THR 62 HN THR 62 66.428 1.401 5.437 468 HA THR 62 HA THR 62 63.730 0.218 4.881 469 HB THR 62 HB THR 62 63.572 1.865 3.008 470 HG1 THR 62 HG1 THR 62 65.308 3.647 3.863 471 HG21 THR 62 HG21 THR 62 62.413 2.461 5.003 472 HG22 THR 62 HG22 THR 62 63.318 3.901 4.534 473 HG23 THR 62 HG23 THR 62 63.913 2.871 5.837 474 H ASP 63 HN ASP 63 65.034 -1.785 4.552 475 HA ASP 63 HA ASP 63 67.034 -1.996 2.519 476 HB2 ASP 63 HB2 ASP 63 65.120 -4.157 3.438 477 HB3 ASP 63 HB1 ASP 63 66.701 -4.390 2.690 478 H ILE 64 HN ILE 64 65.044 -0.424 1.364 479 HA ILE 64 HA ILE 64 64.286 -2.102 -0.944 480 HB ILE 64 HB ILE 64 62.278 -0.563 0.736 481 HG12 ILE 64 HG12 ILE 64 62.387 -3.456 -0.177 482 HG13 ILE 64 HG11 ILE 64 62.789 -2.890 1.444 483 HG21 ILE 64 HG21 ILE 64 61.728 -0.032 -1.521 484 HG22 ILE 64 HG22 ILE 64 60.671 -1.377 -1.092 485 HG23 ILE 64 HG23 ILE 64 62.107 -1.662 -2.075 486 HD11 ILE 64 HD11 ILE 64 60.096 -2.627 0.074 487 HD12 ILE 64 HD12 ILE 64 60.489 -1.964 1.661 488 HD13 ILE 64 HD13 ILE 64 60.484 -3.710 1.411 489 H THR 65 HN THR 65 65.213 0.850 0.464 490 HA THR 65 HA THR 65 65.023 2.203 -2.204 491 HB THR 65 HB THR 65 64.621 4.335 -1.022 492 HG1 THR 65 HG1 THR 65 63.973 3.106 1.343 493 HG21 THR 65 HG21 THR 65 62.718 2.855 -1.753 494 HG22 THR 65 HG22 THR 65 62.320 3.928 -0.411 495 HG23 THR 65 HG23 THR 65 62.653 2.223 -0.108 496 H VAL 66 HN VAL 66 66.331 4.282 0.034 497 HA VAL 66 HA VAL 66 68.905 4.385 -1.027 498 HB VAL 66 HB VAL 66 68.570 4.702 1.945 499 HG11 VAL 66 HG11 VAL 66 70.700 5.220 0.632 500 HG12 VAL 66 HG12 VAL 66 70.076 6.532 1.632 501 HG13 VAL 66 HG13 VAL 66 69.805 6.547 -0.110 502 HG21 VAL 66 HG21 VAL 66 66.506 5.640 1.215 503 HG22 VAL 66 HG22 VAL 66 67.247 6.344 -0.223 504 HG23 VAL 66 HG23 VAL 66 67.602 7.014 1.370 505 H ILE 67 HN ILE 67 67.499 2.002 1.012 506 HA ILE 67 HA ILE 67 70.117 0.556 1.123 507 HB ILE 67 HB ILE 67 67.885 0.350 3.170 508 HG12 ILE 67 HG12 ILE 67 69.946 1.472 4.517 509 HG13 ILE 67 HG11 ILE 67 70.206 2.194 2.929 510 HG21 ILE 67 HG21 ILE 67 69.661 -0.799 4.485 511 HG22 ILE 67 HG22 ILE 67 70.746 -0.656 3.102 512 HG23 ILE 67 HG23 ILE 67 69.291 -1.646 2.983 513 HD11 ILE 67 HD11 ILE 67 67.700 2.766 2.963 514 HD12 ILE 67 HD12 ILE 67 68.738 3.694 4.045 515 HD13 ILE 67 HD13 ILE 67 67.752 2.378 4.682 516 H1U RCY 68 H1U RCY 68 71.464 3.336 0.386 517 H1S RCY 68 H1S RCY 68 69.522 -0.152 -0.485 518 HB1 RCY 68 HB1 RCY 68 67.685 -2.705 -2.726 519 HB2 RCY 68 HB2 RCY 68 69.409 -2.994 -2.523 520 HA RCY 68 HA RCY 68 67.313 -2.530 -0.475 521 HN1 RCY 68 HN1 RCY 68 70.001 -1.276 -0.066 522 HA PRO 69 HA PRO 69 68.531 -6.452 1.084 523 HB2 PRO 69 HB2 PRO 69 68.628 -7.796 -1.507 524 HB3 PRO 69 HB1 PRO 69 67.460 -7.997 -0.192 525 HG2 PRO 69 HG2 PRO 69 67.227 -6.446 -2.629 526 HG3 PRO 69 HG1 PRO 69 65.978 -6.906 -1.466 527 HD2 PRO 69 HD2 PRO 69 66.851 -4.323 -1.795 528 HD3 PRO 69 HD1 PRO 69 66.188 -4.939 -0.263 529 H TRP 70 HN TRP 70 70.303 -5.126 -1.645 530 HA TRP 70 HA TRP 70 72.567 -6.924 -1.410 531 HD1 TRP 70 HD1 TRP 70 74.934 -5.693 -4.347 532 HE1 TRP 70 HE1 TRP 70 74.639 -7.692 -5.946 533 HE3 TRP 70 HE3 TRP 70 70.203 -7.141 -3.083 534 HZ2 TRP 70 HZ2 TRP 70 72.655 -9.651 -6.604 535 HZ3 TRP 70 HZ3 TRP 70 69.137 -9.071 -4.208 536 HH2 TRP 70 HH2 TRP 70 70.352 -10.328 -5.964 537 HB2 TRP 70 HB2 TRP 70 71.843 -4.556 -2.994 538 HB3 TRP 70 HB1 TRP 70 73.548 -4.578 -2.549 539 H GLU 71 HN GLU 71 71.472 -5.329 0.985 540 HA GLU 71 HA GLU 71 74.140 -4.368 1.932 541 HB2 GLU 71 HB2 GLU 71 71.441 -3.022 2.198 542 HB3 GLU 71 HB1 GLU 71 72.778 -2.654 3.288 543 HG2 GLU 71 HG2 GLU 71 74.040 -2.471 0.880 544 HG3 GLU 71 HG1 GLU 71 72.419 -1.937 0.435 545 H ALA 72 HN ALA 72 71.595 -6.479 2.340 546 HA ALA 72 HA ALA 72 71.346 -6.506 5.211 547 HB1 ALA 72 HB1 ALA 72 70.799 -8.599 3.092 548 HB2 ALA 72 HB2 ALA 72 69.625 -7.575 3.919 549 HB3 ALA 72 HB3 ALA 72 70.459 -8.853 4.804 550 H1U RCY 73 H1U RCY 73 81.963 -5.587 2.374 551 H1S RCY 73 H1S RCY 73 77.199 -5.047 1.569 552 HB1 RCY 73 HB1 RCY 73 77.039 -8.505 3.487 553 HB2 RCY 73 HB2 RCY 73 77.180 -7.175 4.634 554 HA RCY 73 HA RCY 73 75.193 -9.292 4.525 555 HN1 RCY 73 HN1 RCY 73 74.128 -6.728 3.775 556 H ASN 74 HN ASN 74 75.119 -6.133 6.174 557 HA ASN 74 HA ASN 74 75.519 -5.585 8.419 558 HB2 ASN 74 HB2 ASN 74 74.198 -8.233 8.415 559 HB3 ASN 74 HB1 ASN 74 75.089 -7.874 9.891 560 HD21 ASN 74 HD21 ASN 74 73.614 -7.061 11.388 561 HD22 ASN 74 HD22 ASN 74 72.424 -5.899 11.047 562 H HIS 75 HN HIS 75 77.781 -6.401 6.844 563 HA HIS 75 HA HIS 75 79.613 -7.074 9.031 564 HD1 HIS 75 HD1 HIS 75 81.559 -7.510 9.247 565 HD2 HIS 75 HD2 HIS 75 81.361 -11.106 7.142 566 HE1 HIS 75 HE1 HIS 75 83.782 -8.671 9.602 567 HE2 HIS 75 HE2 HIS 75 83.674 -10.861 8.325 568 HB2 HIS 75 HB2 HIS 75 78.859 -9.310 8.224 569 HB3 HIS 75 HB1 HIS 75 79.439 -8.894 6.611 570 H1U RCY 76 H1U RCY 76 78.312 -1.356 5.212 571 H1S RCY 76 H1S RCY 76 80.967 -4.669 7.589 572 HB1 RCY 76 HB1 RCY 76 84.053 -3.902 7.274 573 HB2 RCY 76 HB2 RCY 76 84.061 -5.294 8.354 574 HA RCY 76 HA RCY 76 82.004 -4.654 6.222 575 HN1 RCY 76 HN1 RCY 76 81.764 -6.474 8.533 576 H GLU 77 HN GLU 77 81.789 -6.858 4.933 577 HA GLU 77 HA GLU 77 84.144 -8.538 4.804 578 HB2 GLU 77 HB2 GLU 77 82.088 -8.174 2.614 579 HB3 GLU 77 HB1 GLU 77 83.079 -9.596 2.944 580 HG2 GLU 77 HG2 GLU 77 81.921 -9.751 5.197 581 HG3 GLU 77 HG1 GLU 77 80.807 -8.508 4.625 582 H LEU 78 HN LEU 78 85.259 -8.750 2.528 583 HA LEU 78 HA LEU 78 85.499 -6.321 0.974 584 HG LEU 78 HG LEU 78 88.739 -6.868 3.677 585 HB2 LEU 78 HB2 LEU 78 87.751 -5.681 1.566 586 HB3 LEU 78 HB1 LEU 78 86.786 -5.711 3.032 587 HD11 LEU 78 HD11 LEU 78 88.051 -9.149 4.015 588 HD12 LEU 78 HD12 LEU 78 86.997 -9.100 2.602 589 HD13 LEU 78 HD13 LEU 78 86.589 -8.164 4.040 590 HD21 LEU 78 HD21 LEU 78 88.794 -8.743 1.368 591 HD22 LEU 78 HD22 LEU 78 90.132 -8.009 2.251 592 HD23 LEU 78 HD23 LEU 78 89.263 -7.076 1.032 593 H HIS 79 HN HIS 79 85.324 -9.424 0.983 594 HA HIS 79 HA HIS 79 87.056 -9.743 -1.405 595 HD1 HIS 79 HD1 HIS 79 89.375 -10.909 -2.018 596 HD2 HIS 79 HD2 HIS 79 87.176 -14.112 -0.499 597 HE1 HIS 79 HE1 HIS 79 89.946 -12.915 -3.456 598 HE2 HIS 79 HE2 HIS 79 88.614 -14.871 -2.542 599 HB2 HIS 79 HB2 HIS 79 88.379 -10.620 0.518 600 HB3 HIS 79 HB1 HIS 79 87.058 -11.722 0.899 601 H GLU 80 HN GLU 80 84.643 -11.264 0.740 602 HA GLU 80 HA GLU 80 83.660 -13.201 -1.067 603 HB2 GLU 80 HB2 GLU 80 83.020 -13.005 1.350 604 HB3 GLU 80 HB1 GLU 80 82.019 -11.616 0.929 605 HG2 GLU 80 HG2 GLU 80 80.583 -12.941 -0.443 606 HG3 GLU 80 HG1 GLU 80 81.699 -14.307 -0.413 607 H LEU 81 HN LEU 81 82.555 -9.838 -0.575 608 HA LEU 81 HA LEU 81 80.602 -9.969 -2.702 609 HG LEU 81 HG LEU 81 79.680 -7.442 -0.238 610 HB2 LEU 81 HB2 LEU 81 81.898 -7.693 -1.192 611 HB3 LEU 81 HB1 LEU 81 80.763 -7.401 -2.508 612 HD11 LEU 81 HD11 LEU 81 77.765 -8.415 -1.081 613 HD12 LEU 81 HD12 LEU 81 78.626 -9.825 -1.697 614 HD13 LEU 81 HD13 LEU 81 78.697 -8.297 -2.574 615 HD21 LEU 81 HD21 LEU 81 80.170 -10.422 -0.318 616 HD22 LEU 81 HD22 LEU 81 79.578 -9.447 1.027 617 HD23 LEU 81 HD23 LEU 81 81.266 -9.332 0.531 618 H ALA 82 HN ALA 82 84.025 -9.394 -2.584 619 HA ALA 82 HA ALA 82 84.265 -7.976 -5.081 620 HB1 ALA 82 HB1 ALA 82 86.622 -8.473 -4.934 621 HB2 ALA 82 HB2 ALA 82 86.323 -9.796 -3.807 622 HB3 ALA 82 HB3 ALA 82 86.051 -8.128 -3.302 623 H GLN 83 HN GLN 83 82.588 -10.508 -5.044 624 HA GLN 83 HA GLN 83 84.062 -12.399 -6.708 625 HB2 GLN 83 HB2 GLN 83 81.384 -12.227 -5.481 626 HB3 GLN 83 HB1 GLN 83 81.388 -13.010 -7.060 627 HG2 GLN 83 HG2 GLN 83 81.756 -14.665 -5.274 628 HG3 GLN 83 HG1 GLN 83 83.187 -14.529 -6.296 629 HE21 GLN 83 HE21 GLN 83 82.956 -15.309 -3.363 630 HE22 GLN 83 HE22 GLN 83 83.992 -14.239 -2.549 631 H TYR 84 HN TYR 84 81.555 -9.915 -7.266 632 HA TYR 84 HA TYR 84 82.548 -9.417 -9.939 633 HD1 TYR 84 HD2 TYR 84 79.772 -10.968 -7.727 634 HD2 TYR 84 HD1 TYR 84 78.613 -10.071 -11.765 635 HE1 TYR 84 HE2 TYR 84 77.401 -10.822 -7.014 636 HE2 TYR 84 HE1 TYR 84 76.242 -9.925 -11.052 637 HH TYR 84 HH TYR 84 74.966 -11.161 -8.652 638 HB2 TYR 84 HB2 TYR 84 80.869 -10.367 -11.275 639 HB3 TYR 84 HB1 TYR 84 81.152 -11.622 -10.070 640 H GLY 85 HN GLY 85 81.858 -7.940 -7.507 641 HA2 GLY 85 HA2 GLY 85 79.374 -6.551 -7.792 642 HA3 GLY 85 HA1 GLY 85 80.777 -5.943 -6.912 643 H ILE 86 HN ILE 86 82.645 -5.847 -9.021 644 HA ILE 86 HA ILE 86 83.357 -4.300 -10.639 645 HB ILE 86 HB ILE 86 80.562 -4.883 -11.663 646 HG12 ILE 86 HG12 ILE 86 83.199 -5.989 -12.644 647 HG13 ILE 86 HG11 ILE 86 82.273 -6.785 -11.371 648 HG21 ILE 86 HG21 ILE 86 81.273 -2.886 -12.747 649 HG22 ILE 86 HG22 ILE 86 81.666 -4.185 -13.874 650 HG23 ILE 86 HG23 ILE 86 82.934 -3.462 -12.884 651 HD11 ILE 86 HD11 ILE 86 80.469 -7.255 -12.801 652 HD12 ILE 86 HD12 ILE 86 81.870 -7.517 -13.841 653 HD13 ILE 86 HD13 ILE 86 80.948 -6.018 -13.964 654 H1U RCY 87 H1U RCY 87 76.662 -3.228 -6.054 655 H1S RCY 87 H1S RCY 87 80.146 -0.251 -6.926 656 HB1 RCY 87 HB1 RCY 87 83.101 0.823 -8.047 657 HB2 RCY 87 HB2 RCY 87 83.994 -0.697 -8.034 658 HA RCY 87 HA RCY 87 81.093 -0.831 -8.724 659 HN1 RCY 87 HN1 RCY 87 83.449 -2.480 -9.178 Start of MODEL 52 1 HA MET 1 HA MET 1 79.205 -28.682 8.773 2 HB2 MET 1 HB2 MET 1 77.228 -28.259 6.511 3 HB3 MET 1 HB1 MET 1 78.980 -28.402 6.358 4 HG2 MET 1 HG2 MET 1 78.156 -30.565 5.832 5 HG3 MET 1 HG1 MET 1 78.721 -30.695 7.497 6 HE1 MET 1 HE1 MET 1 75.757 -29.699 5.287 7 HE2 MET 1 HE2 MET 1 74.474 -30.767 5.852 8 HE3 MET 1 HE3 MET 1 75.925 -31.452 5.123 9 H ASN 2 HN ASN 2 79.212 -26.798 10.230 10 HA ASN 2 HA ASN 2 79.234 -24.489 10.663 11 HB2 ASN 2 HB2 ASN 2 79.601 -24.559 7.656 12 HB3 ASN 2 HB1 ASN 2 79.740 -23.083 8.612 13 HD21 ASN 2 HD21 ASN 2 81.937 -22.655 8.882 14 HD22 ASN 2 HD22 ASN 2 83.109 -23.812 9.295 15 H LEU 3 HN LEU 3 78.109 -22.326 9.881 16 HA LEU 3 HA LEU 3 75.370 -22.885 8.851 17 HG LEU 3 HG LEU 3 75.364 -24.127 11.016 18 HB2 LEU 3 HB2 LEU 3 76.103 -21.629 11.498 19 HB3 LEU 3 HB1 LEU 3 74.573 -21.250 10.708 20 HD11 LEU 3 HD11 LEU 3 75.714 -23.317 13.256 21 HD12 LEU 3 HD12 LEU 3 74.129 -24.089 13.230 22 HD13 LEU 3 HD13 LEU 3 74.254 -22.331 13.188 23 HD21 LEU 3 HD21 LEU 3 73.369 -23.535 9.713 24 HD22 LEU 3 HD22 LEU 3 72.737 -22.607 11.074 25 HD23 LEU 3 HD23 LEU 3 72.894 -24.359 11.198 26 H GLU 4 HN GLU 4 77.500 -21.689 7.450 27 HA GLU 4 HA GLU 4 77.801 -18.920 7.582 28 HB2 GLU 4 HB2 GLU 4 77.704 -20.852 5.275 29 HB3 GLU 4 HB1 GLU 4 77.860 -19.124 4.960 30 HG2 GLU 4 HG2 GLU 4 79.674 -20.604 6.877 31 HG3 GLU 4 HG1 GLU 4 80.056 -20.401 5.167 32 HA PRO 5 HA PRO 5 73.813 -17.189 6.840 33 HB2 PRO 5 HB2 PRO 5 74.475 -14.940 5.384 34 HB3 PRO 5 HB1 PRO 5 74.676 -15.082 7.141 35 HG2 PRO 5 HG2 PRO 5 76.698 -15.380 4.981 36 HG3 PRO 5 HG1 PRO 5 76.850 -14.624 6.576 37 HD2 PRO 5 HD2 PRO 5 77.822 -17.115 6.048 38 HD3 PRO 5 HD1 PRO 5 77.215 -16.650 7.653 39 HA PRO 6 HA PRO 6 73.067 -18.795 2.667 40 HB2 PRO 6 HB2 PRO 6 70.384 -19.132 2.888 41 HB3 PRO 6 HB1 PRO 6 71.543 -20.228 3.667 42 HG2 PRO 6 HG2 PRO 6 69.957 -18.010 4.856 43 HG3 PRO 6 HG1 PRO 6 70.359 -19.599 5.528 44 HD2 PRO 6 HD2 PRO 6 71.683 -17.253 6.186 45 HD3 PRO 6 HD1 PRO 6 72.386 -18.878 6.348 46 H LYS 7 HN LYS 7 72.136 -17.950 0.720 47 HA LYS 7 HA LYS 7 71.892 -15.125 0.548 48 HB2 LYS 7 HB2 LYS 7 70.672 -15.768 -1.700 49 HB3 LYS 7 HB1 LYS 7 72.391 -16.100 -1.508 50 HG2 LYS 7 HG2 LYS 7 70.599 -18.229 -0.503 51 HG3 LYS 7 HG1 LYS 7 70.554 -17.984 -2.249 52 HD2 LYS 7 HD2 LYS 7 72.967 -18.257 -2.399 53 HD3 LYS 7 HD1 LYS 7 73.098 -18.356 -0.643 54 HE2 LYS 7 HE2 LYS 7 71.520 -20.299 -2.354 55 HE3 LYS 7 HE1 LYS 7 73.147 -20.600 -1.744 56 HZ1 LYS 7 HZ1 LYS 7 71.404 -21.556 -0.327 57 HZ2 LYS 7 HZ2 LYS 7 70.788 -19.998 -0.045 58 HZ3 LYS 7 HZ3 LYS 7 72.345 -20.409 0.496 59 H ALA 8 HN ALA 8 69.198 -17.090 -0.560 60 HA ALA 8 HA ALA 8 67.337 -16.310 1.479 61 HB1 ALA 8 HB1 ALA 8 67.507 -14.070 0.667 62 HB2 ALA 8 HB2 ALA 8 66.012 -14.710 -0.013 63 HB3 ALA 8 HB3 ALA 8 67.459 -14.601 -1.014 64 H GLU 9 HN GLU 9 65.791 -17.859 1.348 65 HA GLU 9 HA GLU 9 65.576 -19.559 -0.995 66 HB2 GLU 9 HB2 GLU 9 63.621 -20.544 0.296 67 HB3 GLU 9 HB1 GLU 9 65.164 -20.566 1.151 68 HG2 GLU 9 HG2 GLU 9 64.559 -18.697 2.501 69 HG3 GLU 9 HG1 GLU 9 63.179 -18.308 1.474 70 H1U RCY 10 H1U RCY 10 63.627 -9.987 -0.275 71 H1S RCY 10 H1S RCY 10 60.140 -13.137 -1.481 72 HB1 RCY 10 HB1 RCY 10 63.072 -14.432 -2.476 73 HB2 RCY 10 HB2 RCY 10 63.312 -15.256 -0.937 74 HA RCY 10 HA RCY 10 62.251 -17.196 -2.707 75 HN1 RCY 10 HN1 RCY 10 65.125 -17.070 -1.964 76 H ARG 11 HN ARG 11 61.852 -16.394 -4.821 77 HA ARG 11 HA ARG 11 64.203 -16.377 -6.565 78 HE ARG 11 HE ARG 11 61.274 -20.449 -8.824 79 HB2 ARG 11 HB2 ARG 11 61.271 -15.927 -7.202 80 HB3 ARG 11 HB1 ARG 11 62.550 -16.187 -8.388 81 HG2 ARG 11 HG2 ARG 11 62.994 -18.410 -7.475 82 HG3 ARG 11 HG1 ARG 11 61.794 -18.154 -6.207 83 HD2 ARG 11 HD2 ARG 11 60.012 -18.004 -7.861 84 HD3 ARG 11 HD1 ARG 11 61.182 -18.114 -9.176 85 HH11 ARG 11 HH21 ARG 11 59.853 -18.776 -6.165 86 HH12 ARG 11 HH22 ARG 11 59.367 -20.221 -5.344 87 HH21 ARG 11 HH11 ARG 11 60.647 -22.346 -7.767 88 HH22 ARG 11 HH12 ARG 11 59.816 -22.242 -6.251 89 H SER 12 HN SER 12 64.499 -14.596 -8.182 90 HA SER 12 HA SER 12 63.615 -11.931 -7.151 91 HG SER 12 HG SER 12 66.488 -13.448 -6.245 92 HB2 SER 12 HB2 SER 12 66.407 -12.543 -8.156 93 HB3 SER 12 HB1 SER 12 65.836 -11.030 -7.459 94 H ALA 13 HN ALA 13 65.508 -13.317 -9.862 95 HA ALA 13 HA ALA 13 65.370 -12.890 -12.165 96 HB1 ALA 13 HB1 ALA 13 62.960 -12.663 -13.000 97 HB2 ALA 13 HB2 ALA 13 62.470 -12.808 -11.312 98 HB3 ALA 13 HB3 ALA 13 63.334 -14.131 -12.096 99 H THR 14 HN THR 14 66.343 -10.970 -12.685 100 HA THR 14 HA THR 14 64.632 -8.596 -12.960 101 HB THR 14 HB THR 14 67.155 -8.399 -11.296 102 HG1 THR 14 HG1 THR 14 65.815 -8.334 -9.532 103 HG21 THR 14 HG21 THR 14 64.850 -6.461 -11.557 104 HG22 THR 14 HG22 THR 14 66.265 -6.399 -12.609 105 HG23 THR 14 HG23 THR 14 66.447 -6.160 -10.871 106 H ARG 15 HN ARG 15 65.089 -8.192 -15.085 107 HA ARG 15 HA ARG 15 67.591 -8.847 -16.336 108 HE ARG 15 HE ARG 15 67.045 -10.413 -17.271 109 HB2 ARG 15 HB2 ARG 15 65.355 -8.540 -17.504 110 HB3 ARG 15 HB1 ARG 15 65.570 -6.804 -17.296 111 HG2 ARG 15 HG2 ARG 15 66.363 -7.503 -19.518 112 HG3 ARG 15 HG1 ARG 15 67.711 -6.927 -18.536 113 HD2 ARG 15 HD2 ARG 15 67.797 -9.265 -19.871 114 HD3 ARG 15 HD1 ARG 15 68.645 -9.016 -18.344 115 HH11 ARG 15 HH21 ARG 15 66.180 -9.580 -20.503 116 HH12 ARG 15 HH22 ARG 15 64.885 -10.727 -20.593 117 HH21 ARG 15 HH11 ARG 15 65.359 -11.915 -17.370 118 HH22 ARG 15 HH12 ARG 15 64.420 -12.048 -18.820 119 H VAL 16 HN VAL 16 68.744 -7.684 -14.391 120 HA VAL 16 HA VAL 16 69.890 -5.815 -13.524 121 HB VAL 16 HB VAL 16 71.412 -4.841 -15.172 122 HG11 VAL 16 HG11 VAL 16 70.815 -7.773 -15.669 123 HG12 VAL 16 HG12 VAL 16 71.895 -7.121 -14.437 124 HG13 VAL 16 HG13 VAL 16 72.305 -6.958 -16.144 125 HG21 VAL 16 HG21 VAL 16 71.114 -5.137 -17.537 126 HG22 VAL 16 HG22 VAL 16 69.571 -4.553 -16.913 127 HG23 VAL 16 HG23 VAL 16 69.779 -6.263 -17.291 128 H MET 17 HN MET 17 67.010 -5.320 -14.484 129 HA MET 17 HA MET 17 66.795 -2.608 -13.769 130 HB2 MET 17 HB2 MET 17 67.763 -2.936 -16.461 131 HB3 MET 17 HB1 MET 17 66.134 -2.271 -16.535 132 HG2 MET 17 HG2 MET 17 68.398 -1.162 -14.849 133 HG3 MET 17 HG1 MET 17 67.835 -0.479 -16.374 134 HE1 MET 17 HE1 MET 17 67.073 1.871 -15.660 135 HE2 MET 17 HE2 MET 17 65.322 1.915 -15.469 136 HE3 MET 17 HE3 MET 17 66.038 0.938 -16.749 137 H GLY 18 HN GLY 18 64.560 -1.696 -14.732 138 HA2 GLY 18 HA2 GLY 18 62.656 -3.793 -15.471 139 HA3 GLY 18 HA1 GLY 18 62.451 -3.195 -13.824 140 H GLY 19 HN GLY 19 60.698 -2.898 -16.245 141 HA2 GLY 19 HA2 GLY 19 60.841 -0.110 -17.047 142 HA3 GLY 19 HA1 GLY 19 59.496 -1.207 -17.365 143 HA PRO 20 HA PRO 20 57.110 0.149 -13.893 144 HB2 PRO 20 HB2 PRO 20 57.791 -2.055 -12.030 145 HB3 PRO 20 HB1 PRO 20 56.224 -1.624 -12.738 146 HG2 PRO 20 HG2 PRO 20 57.591 -3.798 -13.499 147 HG3 PRO 20 HG1 PRO 20 56.584 -2.869 -14.623 148 HD2 PRO 20 HD2 PRO 20 59.572 -2.893 -14.350 149 HD3 PRO 20 HD1 PRO 20 58.574 -2.756 -15.816 150 H1U RCY 21 H1U RCY 21 62.468 3.200 -7.783 151 H1S RCY 21 H1S RCY 21 64.046 1.381 -10.455 152 HB1 RCY 21 HB1 RCY 21 62.650 1.962 -12.079 153 HB2 RCY 21 HB2 RCY 21 61.986 0.479 -12.761 154 HA RCY 21 HA RCY 21 60.080 1.762 -10.969 155 HN1 RCY 21 HN1 RCY 21 59.745 1.218 -13.883 156 H THR 22 HN THR 22 60.035 3.932 -10.606 157 HA THR 22 HA THR 22 60.109 5.754 -12.914 158 HB THR 22 HB THR 22 59.575 7.490 -11.157 159 HG1 THR 22 HG1 THR 22 58.940 6.510 -9.117 160 HG21 THR 22 HG21 THR 22 57.831 5.015 -11.290 161 HG22 THR 22 HG22 THR 22 57.780 6.391 -12.391 162 HG23 THR 22 HG23 THR 22 57.294 6.590 -10.707 163 HA PRO 23 HA PRO 23 64.412 6.714 -12.169 164 HB2 PRO 23 HB2 PRO 23 64.647 8.899 -13.777 165 HB3 PRO 23 HB1 PRO 23 64.498 7.252 -14.423 166 HG2 PRO 23 HG2 PRO 23 62.424 9.373 -14.175 167 HG3 PRO 23 HG1 PRO 23 62.708 8.218 -15.488 168 HD2 PRO 23 HD2 PRO 23 60.751 7.892 -13.575 169 HD3 PRO 23 HD1 PRO 23 61.506 6.541 -14.450 170 H ARG 24 HN ARG 24 65.566 8.054 -10.771 171 HA ARG 24 HA ARG 24 64.874 9.338 -8.633 172 HE ARG 24 HE ARG 24 67.122 9.224 -13.490 173 HB2 ARG 24 HB2 ARG 24 66.312 11.491 -9.638 174 HB3 ARG 24 HB1 ARG 24 67.008 10.054 -8.896 175 HG2 ARG 24 HG2 ARG 24 68.073 10.351 -11.045 176 HG3 ARG 24 HG1 ARG 24 66.989 8.965 -11.175 177 HD2 ARG 24 HD2 ARG 24 65.228 10.614 -12.038 178 HD3 ARG 24 HD1 ARG 24 66.547 11.774 -12.201 179 HH11 ARG 24 HH21 ARG 24 65.591 12.304 -13.722 180 HH12 ARG 24 HH22 ARG 24 65.665 12.359 -15.452 181 HH21 ARG 24 HH11 ARG 24 67.228 9.278 -15.747 182 HH22 ARG 24 HH12 ARG 24 66.592 10.646 -16.598 183 H LYS 25 HN LYS 25 62.599 9.825 -8.741 184 HA LYS 25 HA LYS 25 61.601 11.970 -10.421 185 HB2 LYS 25 HB2 LYS 25 60.385 9.945 -9.120 186 HB3 LYS 25 HB1 LYS 25 60.152 11.213 -7.921 187 HG2 LYS 25 HG2 LYS 25 58.261 11.494 -9.263 188 HG3 LYS 25 HG1 LYS 25 59.383 12.642 -9.994 189 HD2 LYS 25 HD2 LYS 25 59.936 11.114 -11.757 190 HD3 LYS 25 HD1 LYS 25 59.108 9.783 -10.948 191 HE2 LYS 25 HE2 LYS 25 57.841 10.913 -12.873 192 HE3 LYS 25 HE1 LYS 25 56.964 10.733 -11.354 193 HZ1 LYS 25 HZ1 LYS 25 58.457 13.145 -11.384 194 HZ2 LYS 25 HZ2 LYS 25 56.788 12.918 -11.165 195 HZ3 LYS 25 HZ3 LYS 25 57.429 13.071 -12.731 196 H GLY 26 HN GLY 26 62.842 11.737 -7.126 197 HA2 GLY 26 HA2 GLY 26 62.004 14.377 -6.308 198 HA3 GLY 26 HA1 GLY 26 63.252 13.409 -5.522 199 HA PRO 27 HA PRO 27 65.120 17.246 -7.560 200 HB2 PRO 27 HB2 PRO 27 66.824 16.841 -5.135 201 HB3 PRO 27 HB1 PRO 27 66.170 18.344 -5.813 202 HG2 PRO 27 HG2 PRO 27 65.132 17.222 -3.629 203 HG3 PRO 27 HG1 PRO 27 64.125 18.064 -4.819 204 HD2 PRO 27 HD2 PRO 27 64.382 15.138 -4.307 205 HD3 PRO 27 HD1 PRO 27 62.994 16.059 -4.925 206 HA PRO 28 HA PRO 28 68.425 15.297 -9.763 207 HB2 PRO 28 HB2 PRO 28 70.268 17.273 -8.455 208 HB3 PRO 28 HB1 PRO 28 70.133 16.823 -10.166 209 HG2 PRO 28 HG2 PRO 28 69.085 19.091 -9.204 210 HG3 PRO 28 HG1 PRO 28 68.326 18.182 -10.520 211 HD2 PRO 28 HD2 PRO 28 67.425 18.507 -7.721 212 HD3 PRO 28 HD1 PRO 28 66.490 18.043 -9.159 213 H LYS 29 HN LYS 29 69.507 13.427 -9.234 214 HA LYS 29 HA LYS 29 69.803 12.439 -6.645 215 HB2 LYS 29 HB2 LYS 29 71.931 11.735 -8.635 216 HB3 LYS 29 HB1 LYS 29 70.995 10.684 -7.573 217 HG2 LYS 29 HG2 LYS 29 69.929 10.199 -9.556 218 HG3 LYS 29 HG1 LYS 29 68.983 11.612 -9.087 219 HD2 LYS 29 HD2 LYS 29 69.573 12.183 -11.264 220 HD3 LYS 29 HD1 LYS 29 70.888 12.929 -10.356 221 HE2 LYS 29 HE2 LYS 29 71.955 11.728 -12.112 222 HE3 LYS 29 HE1 LYS 29 72.154 10.719 -10.679 223 HZ1 LYS 29 HZ1 LYS 29 70.052 10.402 -12.754 224 HZ2 LYS 29 HZ2 LYS 29 70.216 9.441 -11.362 225 HZ3 LYS 29 HZ3 LYS 29 71.417 9.413 -12.563 226 H1U RCY 30 H1U RCY 30 76.780 9.025 -1.981 227 H1S RCY 30 H1S RCY 30 77.120 10.892 -6.456 228 HB1 RCY 30 HB1 RCY 30 73.934 13.179 -5.283 229 HB2 RCY 30 HB2 RCY 30 75.436 14.052 -5.581 230 HA RCY 30 HA RCY 30 73.567 15.337 -6.481 231 HN1 RCY 30 HN1 RCY 30 72.664 13.515 -8.518 232 H LYS 31 HN LYS 31 73.839 13.700 -9.441 233 HA LYS 31 HA LYS 31 75.301 13.937 -11.275 234 HB2 LYS 31 HB2 LYS 31 73.962 16.191 -10.870 235 HB3 LYS 31 HB1 LYS 31 75.563 16.824 -10.501 236 HG2 LYS 31 HG2 LYS 31 75.454 17.184 -12.804 237 HG3 LYS 31 HG1 LYS 31 76.242 15.607 -12.739 238 HD2 LYS 31 HD2 LYS 31 74.186 14.463 -13.203 239 HD3 LYS 31 HD1 LYS 31 73.242 15.934 -12.969 240 HE2 LYS 31 HE2 LYS 31 75.393 15.843 -15.071 241 HE3 LYS 31 HE1 LYS 31 73.798 15.171 -15.407 242 HZ1 LYS 31 HZ1 LYS 31 72.840 17.317 -14.722 243 HZ2 LYS 31 HZ2 LYS 31 73.852 17.454 -16.080 244 HZ3 LYS 31 HZ3 LYS 31 74.406 17.948 -14.551 245 H GLN 32 HN GLN 32 77.200 12.829 -10.673 246 HA GLN 32 HA GLN 32 79.561 14.441 -10.365 247 HB2 GLN 32 HB2 GLN 32 80.256 13.782 -8.134 248 HB3 GLN 32 HB1 GLN 32 78.665 14.534 -8.021 249 HG2 GLN 32 HG2 GLN 32 77.652 12.228 -8.124 250 HG3 GLN 32 HG1 GLN 32 79.284 11.568 -8.007 251 HE21 GLN 32 HE21 GLN 32 78.515 14.550 -6.306 252 HE22 GLN 32 HE22 GLN 32 78.514 13.880 -4.746 253 H ARG 33 HN ARG 33 77.979 11.347 -10.264 254 HA ARG 33 HA ARG 33 78.888 9.154 -10.498 255 HE ARG 33 HE ARG 33 81.399 11.137 -16.098 256 HB2 ARG 33 HB2 ARG 33 79.269 8.771 -12.802 257 HB3 ARG 33 HB1 ARG 33 78.188 10.160 -12.743 258 HG2 ARG 33 HG2 ARG 33 80.292 11.620 -12.827 259 HG3 ARG 33 HG1 ARG 33 81.172 10.151 -13.250 260 HD2 ARG 33 HD2 ARG 33 79.670 9.814 -15.186 261 HD3 ARG 33 HD1 ARG 33 78.812 11.298 -14.772 262 HH11 ARG 33 HH21 ARG 33 79.328 12.946 -14.019 263 HH12 ARG 33 HH22 ARG 33 80.051 14.472 -14.405 264 HH21 ARG 33 HH11 ARG 33 82.356 13.119 -16.614 265 HH22 ARG 33 HH12 ARG 33 81.766 14.569 -15.875 266 H GLN 34 HN GLN 34 80.561 8.279 -9.438 267 HA GLN 34 HA GLN 34 82.747 7.851 -8.723 268 HB2 GLN 34 HB2 GLN 34 83.170 8.733 -11.582 269 HB3 GLN 34 HB1 GLN 34 84.514 8.234 -10.558 270 HG2 GLN 34 HG2 GLN 34 82.059 6.508 -10.888 271 HG3 GLN 34 HG1 GLN 34 83.413 6.413 -12.015 272 HE21 GLN 34 HE21 GLN 34 84.599 7.304 -8.976 273 HE22 GLN 34 HE22 GLN 34 85.064 5.767 -8.426 274 H THR 35 HN THR 35 82.834 9.457 -7.094 275 HA THR 35 HA THR 35 83.600 12.202 -7.733 276 HB THR 35 HB THR 35 83.696 12.498 -5.290 277 HG1 THR 35 HG1 THR 35 83.582 9.687 -5.385 278 HG21 THR 35 HG21 THR 35 81.492 12.544 -6.370 279 HG22 THR 35 HG22 THR 35 81.372 11.826 -4.764 280 HG23 THR 35 HG23 THR 35 81.357 10.794 -6.194 281 H ARG 36 HN ARG 36 85.353 11.139 -5.050 282 HA ARG 36 HA ARG 36 87.887 11.777 -6.193 283 HE ARG 36 HE ARG 36 86.976 15.238 -3.764 284 HB2 ARG 36 HB2 ARG 36 86.973 10.403 -3.690 285 HB3 ARG 36 HB1 ARG 36 88.677 10.293 -4.130 286 HG2 ARG 36 HG2 ARG 36 88.292 12.235 -2.669 287 HG3 ARG 36 HG1 ARG 36 88.788 12.763 -4.277 288 HD2 ARG 36 HD2 ARG 36 86.477 13.230 -4.887 289 HD3 ARG 36 HD1 ARG 36 85.907 12.579 -3.350 290 HH11 ARG 36 HH21 ARG 36 86.749 12.571 -1.590 291 HH12 ARG 36 HH22 ARG 36 86.928 13.544 -0.168 292 HH21 ARG 36 HH11 ARG 36 87.210 16.523 -1.920 293 HH22 ARG 36 HH12 ARG 36 87.189 15.782 -0.355 294 H GLN 37 HN GLN 37 86.944 8.547 -5.030 295 HA GLN 37 HA GLN 37 87.634 7.281 -7.557 296 HB2 GLN 37 HB2 GLN 37 89.445 5.860 -6.161 297 HB3 GLN 37 HB1 GLN 37 89.887 7.308 -7.065 298 HG2 GLN 37 HG2 GLN 37 89.957 8.647 -5.137 299 HG3 GLN 37 HG1 GLN 37 88.961 7.526 -4.208 300 HE21 GLN 37 HE21 GLN 37 92.108 7.410 -5.995 301 HE22 GLN 37 HE22 GLN 37 92.912 6.511 -4.801 302 H1U RCY 38 H1U RCY 38 86.472 -0.687 -0.367 303 H1S RCY 38 H1S RCY 38 84.853 2.373 -3.396 304 HB1 RCY 38 HB1 RCY 38 84.277 5.221 -4.981 305 HB2 RCY 38 HB2 RCY 38 84.550 6.353 -3.656 306 HA RCY 38 HA RCY 38 86.447 4.808 -2.912 307 HN1 RCY 38 HN1 RCY 38 87.486 6.600 -4.037 308 H LYS 39 HN LYS 39 88.258 3.956 -4.955 309 HA LYS 39 HA LYS 39 87.347 2.135 -6.847 310 HB2 LYS 39 HB2 LYS 39 89.797 2.788 -5.957 311 HB3 LYS 39 HB1 LYS 39 89.629 1.239 -5.134 312 HG2 LYS 39 HG2 LYS 39 90.528 0.553 -7.168 313 HG3 LYS 39 HG1 LYS 39 88.802 0.416 -7.506 314 HD2 LYS 39 HD2 LYS 39 88.963 2.862 -8.323 315 HD3 LYS 39 HD1 LYS 39 90.707 2.599 -8.348 316 HE2 LYS 39 HE2 LYS 39 90.193 0.489 -9.733 317 HE3 LYS 39 HE1 LYS 39 88.580 1.170 -9.946 318 HZ1 LYS 39 HZ1 LYS 39 91.062 1.940 -11.157 319 HZ2 LYS 39 HZ2 LYS 39 90.232 3.257 -10.476 320 HZ3 LYS 39 HZ3 LYS 39 89.472 2.280 -11.639 321 H SER 40 HN SER 40 88.434 1.019 -3.619 322 HA SER 40 HA SER 40 86.014 -0.399 -3.026 323 HG SER 40 HG SER 40 88.478 -2.073 -5.463 324 HB2 SER 40 HB2 SER 40 87.059 -2.730 -3.337 325 HB3 SER 40 HB1 SER 40 86.503 -1.908 -4.792 326 H LYS 41 HN LYS 41 89.568 -0.514 -2.692 327 HA LYS 41 HA LYS 41 89.820 -1.791 -0.243 328 HB2 LYS 41 HB2 LYS 41 91.727 -0.034 0.151 329 HB3 LYS 41 HB1 LYS 41 91.852 -1.151 -1.208 330 HG2 LYS 41 HG2 LYS 41 91.219 0.490 -2.775 331 HG3 LYS 41 HG1 LYS 41 90.514 1.530 -1.538 332 HD2 LYS 41 HD2 LYS 41 92.683 2.422 -2.313 333 HD3 LYS 41 HD1 LYS 41 92.757 1.962 -0.612 334 HE2 LYS 41 HE2 LYS 41 94.724 1.195 -2.040 335 HE3 LYS 41 HE1 LYS 41 93.915 -0.072 -1.117 336 HZ1 LYS 41 HZ1 LYS 41 94.381 -0.150 -3.771 337 HZ2 LYS 41 HZ2 LYS 41 92.772 0.395 -3.718 338 HZ3 LYS 41 HZ3 LYS 41 93.201 -1.067 -2.967 339 HA PRO 42 HA PRO 42 87.388 1.041 2.288 340 HB2 PRO 42 HB2 PRO 42 87.457 -0.382 4.602 341 HB3 PRO 42 HB1 PRO 42 86.453 -0.865 3.221 342 HG2 PRO 42 HG2 PRO 42 89.080 -1.942 4.107 343 HG3 PRO 42 HG1 PRO 42 87.669 -2.794 3.459 344 HD2 PRO 42 HD2 PRO 42 89.910 -2.157 1.965 345 HD3 PRO 42 HD1 PRO 42 88.297 -2.432 1.272 346 HA PRO 43 HA PRO 43 90.421 3.419 4.472 347 HB2 PRO 43 HB2 PRO 43 88.934 4.473 6.529 348 HB3 PRO 43 HB1 PRO 43 88.816 5.030 4.848 349 HG2 PRO 43 HG2 PRO 43 87.032 3.189 6.355 350 HG3 PRO 43 HG1 PRO 43 86.622 4.451 5.181 351 HD2 PRO 43 HD2 PRO 43 86.664 1.791 4.540 352 HD3 PRO 43 HD1 PRO 43 87.014 3.073 3.360 353 H LYS 44 HN LYS 44 91.949 3.084 6.079 354 HA LYS 44 HA LYS 44 92.086 0.701 7.535 355 HB2 LYS 44 HB2 LYS 44 93.247 3.315 8.527 356 HB3 LYS 44 HB1 LYS 44 93.879 1.688 8.782 357 HG2 LYS 44 HG2 LYS 44 93.733 3.187 6.151 358 HG3 LYS 44 HG1 LYS 44 95.193 2.743 7.037 359 HD2 LYS 44 HD2 LYS 44 94.339 0.307 6.816 360 HD3 LYS 44 HD1 LYS 44 93.270 0.944 5.567 361 HE2 LYS 44 HE2 LYS 44 95.193 1.815 4.325 362 HE3 LYS 44 HE1 LYS 44 96.286 1.261 5.593 363 HZ1 LYS 44 HZ1 LYS 44 94.911 -0.972 5.028 364 HZ2 LYS 44 HZ2 LYS 44 96.414 -0.572 4.343 365 HZ3 LYS 44 HZ3 LYS 44 94.977 -0.238 3.500 366 H LYS 45 HN LYS 45 90.853 3.860 8.662 367 HA LYS 45 HA LYS 45 90.147 2.855 11.285 368 HB2 LYS 45 HB2 LYS 45 89.673 5.362 9.731 369 HB3 LYS 45 HB1 LYS 45 88.576 5.028 11.069 370 HG2 LYS 45 HG2 LYS 45 91.547 4.775 11.466 371 HG3 LYS 45 HG1 LYS 45 90.779 6.361 11.543 372 HD2 LYS 45 HD2 LYS 45 89.479 4.162 13.075 373 HD3 LYS 45 HD1 LYS 45 91.008 4.778 13.704 374 HE2 LYS 45 HE2 LYS 45 88.833 5.939 14.496 375 HE3 LYS 45 HE1 LYS 45 90.160 6.967 13.957 376 HZ1 LYS 45 HZ1 LYS 45 87.753 6.176 12.416 377 HZ2 LYS 45 HZ2 LYS 45 89.099 6.945 11.720 378 HZ3 LYS 45 HZ3 LYS 45 88.191 7.737 12.918 379 H GLY 46 HN GLY 46 87.634 3.287 11.888 380 HA2 GLY 46 HA2 GLY 46 85.427 2.975 10.400 381 HA3 GLY 46 HA1 GLY 46 86.146 1.378 10.186 382 H VAL 47 HN VAL 47 87.231 2.074 13.113 383 HA VAL 47 HA VAL 47 85.012 0.644 14.437 384 HB VAL 47 HB VAL 47 87.234 -0.196 14.888 385 HG11 VAL 47 HG11 VAL 47 87.841 2.677 15.635 386 HG12 VAL 47 HG12 VAL 47 88.571 1.734 14.336 387 HG13 VAL 47 HG13 VAL 47 88.909 1.327 16.018 388 HG21 VAL 47 HG21 VAL 47 87.218 -0.157 17.276 389 HG22 VAL 47 HG22 VAL 47 85.534 0.046 16.794 390 HG23 VAL 47 HG23 VAL 47 86.476 1.443 17.316 391 H GLN 48 HN GLN 48 86.473 3.825 14.327 392 HA GLN 48 HA GLN 48 84.286 4.825 16.067 393 HB2 GLN 48 HB2 GLN 48 87.224 4.986 16.652 394 HB3 GLN 48 HB1 GLN 48 86.210 6.363 17.083 395 HG2 GLN 48 HG2 GLN 48 85.566 3.515 17.889 396 HG3 GLN 48 HG1 GLN 48 86.475 4.628 18.913 397 HE21 GLN 48 HE21 GLN 48 83.612 3.435 19.120 398 HE22 GLN 48 HE22 GLN 48 82.636 4.795 19.402 399 H GLY 49 HN GLY 49 83.326 6.367 14.854 400 HA2 GLY 49 HA2 GLY 49 84.820 8.598 13.779 401 HA3 GLY 49 HA1 GLY 49 84.289 7.511 12.494 402 H1U RCY 50 H1U RCY 50 81.936 7.515 6.847 403 H1S RCY 50 H1S RCY 50 80.779 10.332 9.794 404 HB1 RCY 50 HB1 RCY 50 78.703 8.352 12.546 405 HB2 RCY 50 HB2 RCY 50 80.213 7.727 11.884 406 HA RCY 50 HA RCY 50 80.319 9.196 14.491 407 HN1 RCY 50 HN1 RCY 50 81.864 6.774 14.128 408 H GLY 51 HN GLY 51 77.921 8.542 14.763 409 HA2 GLY 51 HA2 GLY 51 76.934 5.970 15.053 410 HA3 GLY 51 HA1 GLY 51 77.825 6.252 16.549 411 H ASP 52 HN ASP 52 76.968 9.257 15.864 412 HA ASP 52 HA ASP 52 74.124 9.283 16.370 413 HB2 ASP 52 HB2 ASP 52 74.866 8.499 18.586 414 HB3 ASP 52 HB1 ASP 52 75.952 9.882 18.716 415 H ASP 53 HN ASP 53 73.864 10.985 14.969 416 HA ASP 53 HA ASP 53 74.570 13.641 15.828 417 HB2 ASP 53 HB2 ASP 53 76.035 14.126 13.781 418 HB3 ASP 53 HB1 ASP 53 76.791 13.191 15.073 419 H ILE 54 HN ILE 54 74.140 15.210 13.823 420 HA ILE 54 HA ILE 54 71.786 14.092 12.351 421 HB ILE 54 HB ILE 54 71.423 15.908 14.163 422 HG12 ILE 54 HG12 ILE 54 69.709 15.293 12.520 423 HG13 ILE 54 HG11 ILE 54 69.722 17.043 12.736 424 HG21 ILE 54 HG21 ILE 54 73.442 17.210 13.055 425 HG22 ILE 54 HG22 ILE 54 72.074 18.097 13.729 426 HG23 ILE 54 HG23 ILE 54 72.181 17.829 11.989 427 HD11 ILE 54 HD11 ILE 54 70.768 15.424 10.423 428 HD12 ILE 54 HD12 ILE 54 71.391 17.044 10.736 429 HD13 ILE 54 HD13 ILE 54 69.676 16.808 10.398 430 HA PRO 55 HA PRO 55 74.704 15.347 9.076 431 HB2 PRO 55 HB2 PRO 55 74.311 13.244 7.433 432 HB3 PRO 55 HB1 PRO 55 75.306 13.107 8.896 433 HG2 PRO 55 HG2 PRO 55 72.538 12.164 8.405 434 HG3 PRO 55 HG1 PRO 55 73.823 11.443 9.387 435 HD2 PRO 55 HD2 PRO 55 71.678 12.989 10.362 436 HD3 PRO 55 HD1 PRO 55 73.153 12.569 11.260 437 H GLY 56 HN GLY 56 71.320 14.447 8.883 438 HA2 GLY 56 HA2 GLY 56 70.646 16.635 7.179 439 HA3 GLY 56 HA1 GLY 56 70.762 15.171 6.201 440 H MET 57 HN MET 57 69.029 16.707 8.854 441 HA MET 57 HA MET 57 67.235 14.546 9.426 442 HB2 MET 57 HB2 MET 57 65.755 16.377 10.349 443 HB3 MET 57 HB1 MET 57 67.398 16.377 10.988 444 HG2 MET 57 HG2 MET 57 68.048 18.205 9.602 445 HG3 MET 57 HG1 MET 57 66.604 18.053 8.601 446 HE1 MET 57 HE1 MET 57 66.901 19.505 12.925 447 HE2 MET 57 HE2 MET 57 68.035 18.520 12.005 448 HE3 MET 57 HE3 MET 57 66.562 17.793 12.642 449 H GLU 58 HN GLU 58 67.228 14.263 6.804 450 HA GLU 58 HA GLU 58 64.492 15.015 6.021 451 HB2 GLU 58 HB2 GLU 58 66.926 15.873 4.427 452 HB3 GLU 58 HB1 GLU 58 65.273 15.917 3.814 453 HG2 GLU 58 HG2 GLU 58 64.701 17.344 5.857 454 HG3 GLU 58 HG1 GLU 58 66.439 17.494 6.117 455 H GLY 59 HN GLY 59 64.791 12.542 6.484 456 HA2 GLY 59 HA2 GLY 59 64.218 10.648 4.984 457 HA3 GLY 59 HA1 GLY 59 65.480 11.218 3.891 458 H1U RCY 60 H1U RCY 60 70.960 8.598 0.629 459 H1S RCY 60 H1S RCY 60 71.263 11.212 3.768 460 HB1 RCY 60 HB1 RCY 60 68.788 8.941 5.543 461 HB2 RCY 60 HB2 RCY 60 69.954 9.151 6.849 462 HA RCY 60 HA RCY 60 67.563 9.107 7.630 463 HN1 RCY 60 HN1 RCY 60 66.928 11.771 6.681 464 H GLY 61 HN GLY 61 67.415 9.902 9.719 465 HA2 GLY 61 HA2 GLY 61 69.676 11.493 10.682 466 HA3 GLY 61 HA1 GLY 61 68.118 12.309 10.820 467 H THR 62 HN THR 62 66.501 10.065 11.406 468 HA THR 62 HA THR 62 67.583 9.231 14.076 469 HB THR 62 HB THR 62 65.794 10.502 14.771 470 HG1 THR 62 HG1 THR 62 64.949 8.694 15.491 471 HG21 THR 62 HG21 THR 62 65.249 11.408 12.594 472 HG22 THR 62 HG22 THR 62 63.754 10.851 13.344 473 HG23 THR 62 HG23 THR 62 64.527 9.880 12.091 474 H ASP 63 HN ASP 63 65.152 8.300 11.611 475 HA ASP 63 HA ASP 63 65.110 5.537 12.460 476 HB2 ASP 63 HB2 ASP 63 64.335 6.515 9.709 477 HB3 ASP 63 HB1 ASP 63 63.662 5.163 10.620 478 H ILE 64 HN ILE 64 67.738 5.946 12.320 479 HA ILE 64 HA ILE 64 68.634 4.053 10.354 480 HB ILE 64 HB ILE 64 68.671 5.621 8.640 481 HG12 ILE 64 HG12 ILE 64 70.966 6.608 8.480 482 HG13 ILE 64 HG11 ILE 64 71.239 6.164 10.165 483 HG21 ILE 64 HG21 ILE 64 69.332 8.078 9.192 484 HG22 ILE 64 HG22 ILE 64 69.024 7.620 10.867 485 HG23 ILE 64 HG23 ILE 64 67.731 7.515 9.673 486 HD11 ILE 64 HD11 ILE 64 72.130 4.304 9.107 487 HD12 ILE 64 HD12 ILE 64 71.000 4.403 7.756 488 HD13 ILE 64 HD13 ILE 64 70.460 3.775 9.313 489 H THR 65 HN THR 65 68.992 5.977 13.083 490 HA THR 65 HA THR 65 71.619 6.327 13.711 491 HB THR 65 HB THR 65 71.074 5.438 16.033 492 HG1 THR 65 HG1 THR 65 68.658 4.866 14.671 493 HG21 THR 65 HG21 THR 65 70.663 7.765 15.504 494 HG22 THR 65 HG22 THR 65 69.282 7.156 16.416 495 HG23 THR 65 HG23 THR 65 69.166 7.353 14.667 496 H VAL 66 HN VAL 66 70.002 3.190 13.435 497 HA VAL 66 HA VAL 66 72.643 1.906 13.087 498 HB VAL 66 HB VAL 66 70.636 0.820 15.081 499 HG11 VAL 66 HG11 VAL 66 72.576 -0.598 15.732 500 HG12 VAL 66 HG12 VAL 66 73.515 0.124 14.425 501 HG13 VAL 66 HG13 VAL 66 72.096 -0.857 14.054 502 HG21 VAL 66 HG21 VAL 66 72.361 1.544 16.784 503 HG22 VAL 66 HG22 VAL 66 71.504 2.876 16.010 504 HG23 VAL 66 HG23 VAL 66 73.144 2.470 15.504 505 H ILE 67 HN ILE 67 69.116 1.709 13.006 506 HA ILE 67 HA ILE 67 69.368 -0.193 10.718 507 HB ILE 67 HB ILE 67 67.461 -0.449 13.063 508 HG12 ILE 67 HG12 ILE 67 69.517 -2.393 11.973 509 HG13 ILE 67 HG11 ILE 67 69.825 -1.306 13.328 510 HG21 ILE 67 HG21 ILE 67 67.592 -1.891 10.403 511 HG22 ILE 67 HG22 ILE 67 66.233 -0.982 11.064 512 HG23 ILE 67 HG23 ILE 67 66.709 -2.514 11.797 513 HD11 ILE 67 HD11 ILE 67 69.093 -3.610 14.027 514 HD12 ILE 67 HD12 ILE 67 67.542 -3.297 13.248 515 HD13 ILE 67 HD13 ILE 67 68.049 -2.320 14.625 516 H1U RCY 68 H1U RCY 68 71.060 5.376 2.084 517 H1S RCY 68 H1S RCY 68 69.238 3.752 6.117 518 HB1 RCY 68 HB1 RCY 68 68.637 3.139 8.061 519 HB2 RCY 68 HB2 RCY 68 67.183 4.100 7.811 520 HA RCY 68 HA RCY 68 66.323 2.845 9.510 521 HN1 RCY 68 HN1 RCY 68 68.573 0.957 9.032 522 HA PRO 69 HA PRO 69 63.251 0.259 7.702 523 HB2 PRO 69 HB2 PRO 69 62.160 2.027 5.789 524 HB3 PRO 69 HB1 PRO 69 61.647 1.873 7.478 525 HG2 PRO 69 HG2 PRO 69 63.418 3.880 6.221 526 HG3 PRO 69 HG1 PRO 69 62.303 4.046 7.587 527 HD2 PRO 69 HD2 PRO 69 64.995 3.918 7.935 528 HD3 PRO 69 HD1 PRO 69 63.858 3.248 9.128 529 H TRP 70 HN TRP 70 64.772 2.291 5.173 530 HA TRP 70 HA TRP 70 64.639 0.094 3.237 531 HD1 TRP 70 HD1 TRP 70 62.636 1.782 3.397 532 HE1 TRP 70 HE1 TRP 70 61.451 4.034 3.802 533 HE3 TRP 70 HE3 TRP 70 66.499 4.990 2.468 534 HZ2 TRP 70 HZ2 TRP 70 62.062 6.833 3.741 535 HZ3 TRP 70 HZ3 TRP 70 66.172 7.437 2.648 536 HH2 TRP 70 HH2 TRP 70 63.963 8.363 3.282 537 HB2 TRP 70 HB2 TRP 70 66.367 2.478 2.732 538 HB3 TRP 70 HB1 TRP 70 65.236 1.662 1.654 539 H GLU 71 HN GLU 71 66.008 -0.817 5.433 540 HA GLU 71 HA GLU 71 68.688 -1.296 4.290 541 HB2 GLU 71 HB2 GLU 71 69.262 0.566 5.663 542 HB3 GLU 71 HB1 GLU 71 68.219 0.024 6.971 543 HG2 GLU 71 HG2 GLU 71 70.707 -0.399 7.316 544 HG3 GLU 71 HG1 GLU 71 69.667 -1.814 7.489 545 H ALA 72 HN ALA 72 65.968 -2.200 6.128 546 HA ALA 72 HA ALA 72 67.176 -4.451 7.524 547 HB1 ALA 72 HB1 ALA 72 65.150 -3.571 8.455 548 HB2 ALA 72 HB2 ALA 72 64.734 -5.149 7.787 549 HB3 ALA 72 HB3 ALA 72 64.313 -3.680 6.907 550 H1U RCY 73 H1U RCY 73 69.754 -1.393 -1.716 551 H1S RCY 73 H1S RCY 73 68.248 -2.021 2.333 552 HB1 RCY 73 HB1 RCY 73 65.258 -5.205 1.480 553 HB2 RCY 73 HB2 RCY 73 67.013 -5.355 1.415 554 HA RCY 73 HA RCY 73 65.255 -6.356 3.421 555 HN1 RCY 73 HN1 RCY 73 66.162 -3.845 4.309 556 H ASN 74 HN ASN 74 68.636 -5.186 3.568 557 HA ASN 74 HA ASN 74 69.573 -7.880 4.225 558 HB2 ASN 74 HB2 ASN 74 69.276 -7.821 1.681 559 HB3 ASN 74 HB1 ASN 74 70.587 -6.642 1.658 560 HD21 ASN 74 HD21 ASN 74 69.843 -9.962 2.845 561 HD22 ASN 74 HD22 ASN 74 71.435 -10.530 2.700 562 H HIS 75 HN HIS 75 72.202 -6.837 2.832 563 HA HIS 75 HA HIS 75 72.910 -4.537 4.503 564 HD1 HIS 75 HD1 HIS 75 72.545 -4.300 6.862 565 HD2 HIS 75 HD2 HIS 75 72.472 -8.471 6.856 566 HE1 HIS 75 HE1 HIS 75 70.911 -4.989 8.670 567 HE2 HIS 75 HE2 HIS 75 70.858 -7.526 8.677 568 HB2 HIS 75 HB2 HIS 75 74.144 -7.259 5.033 569 HB3 HIS 75 HB1 HIS 75 74.741 -5.738 5.696 570 H1U RCY 76 H1U RCY 76 68.996 -3.137 0.576 571 H1S RCY 76 H1S RCY 76 72.895 -4.434 -1.534 572 HB1 RCY 76 HB1 RCY 76 74.441 -6.928 0.100 573 HB2 RCY 76 HB2 RCY 76 75.954 -6.357 -0.599 574 HA RCY 76 HA RCY 76 76.501 -7.243 1.557 575 HN1 RCY 76 HN1 RCY 76 74.620 -7.289 2.985 576 H GLU 77 HN GLU 77 78.018 -6.178 3.007 577 HA GLU 77 HA GLU 77 78.210 -3.309 3.184 578 HB2 GLU 77 HB2 GLU 77 79.279 -4.664 4.878 579 HB3 GLU 77 HB1 GLU 77 80.252 -5.499 3.669 580 HG2 GLU 77 HG2 GLU 77 80.422 -2.508 3.875 581 HG3 GLU 77 HG1 GLU 77 81.301 -3.505 5.035 582 H LEU 78 HN LEU 78 79.445 -5.710 0.955 583 HA LEU 78 HA LEU 78 79.894 -3.799 -1.124 584 HG LEU 78 HG LEU 78 82.227 -4.106 -2.441 585 HB2 LEU 78 HB2 LEU 78 81.884 -3.379 0.478 586 HB3 LEU 78 HB1 LEU 78 82.473 -4.953 -0.053 587 HD11 LEU 78 HD11 LEU 78 82.438 -1.466 -2.384 588 HD12 LEU 78 HD12 LEU 78 81.553 -1.645 -0.869 589 HD13 LEU 78 HD13 LEU 78 80.851 -2.235 -2.375 590 HD21 LEU 78 HD21 LEU 78 84.385 -3.131 -2.421 591 HD22 LEU 78 HD22 LEU 78 84.369 -4.154 -0.985 592 HD23 LEU 78 HD23 LEU 78 84.138 -2.413 -0.830 593 H HIS 79 HN HIS 79 81.780 -6.683 -0.174 594 HA HIS 79 HA HIS 79 80.295 -8.583 -1.665 595 HD1 HIS 79 HD1 HIS 79 84.034 -7.779 -1.631 596 HD2 HIS 79 HD2 HIS 79 82.547 -5.531 -4.815 597 HE1 HIS 79 HE1 HIS 79 85.772 -6.005 -2.127 598 HE2 HIS 79 HE2 HIS 79 84.879 -4.629 -4.063 599 HB2 HIS 79 HB2 HIS 79 81.931 -8.838 -3.610 600 HB3 HIS 79 HB1 HIS 79 80.857 -7.444 -3.696 601 H GLU 80 HN GLU 80 81.785 -8.431 0.799 602 HA GLU 80 HA GLU 80 83.236 -10.916 0.607 603 HB2 GLU 80 HB2 GLU 80 84.836 -9.113 -0.361 604 HB3 GLU 80 HB1 GLU 80 85.007 -8.580 1.312 605 HG2 GLU 80 HG2 GLU 80 86.770 -10.153 0.942 606 HG3 GLU 80 HG1 GLU 80 85.551 -11.004 1.892 607 H LEU 81 HN LEU 81 83.435 -7.928 2.605 608 HA LEU 81 HA LEU 81 83.291 -9.609 5.034 609 HG LEU 81 HG LEU 81 82.600 -6.301 3.963 610 HB2 LEU 81 HB2 LEU 81 83.633 -7.446 6.233 611 HB3 LEU 81 HB1 LEU 81 84.903 -7.789 5.062 612 HD11 LEU 81 HD11 LEU 81 82.585 -5.133 6.032 613 HD12 LEU 81 HD12 LEU 81 83.577 -4.140 4.964 614 HD13 LEU 81 HD13 LEU 81 84.343 -5.182 6.163 615 HD21 LEU 81 HD21 LEU 81 84.674 -6.744 2.703 616 HD22 LEU 81 HD22 LEU 81 85.608 -5.887 3.929 617 HD23 LEU 81 HD23 LEU 81 84.446 -5.010 2.933 618 H ALA 82 HN ALA 82 80.948 -9.062 3.116 619 HA ALA 82 HA ALA 82 79.056 -7.403 4.479 620 HB1 ALA 82 HB1 ALA 82 77.355 -8.801 3.190 621 HB2 ALA 82 HB2 ALA 82 78.722 -9.731 2.574 622 HB3 ALA 82 HB3 ALA 82 78.590 -8.011 2.210 623 H GLN 83 HN GLN 83 77.638 -10.454 4.153 624 HA GLN 83 HA GLN 83 76.841 -12.018 5.707 625 HB2 GLN 83 HB2 GLN 83 78.891 -11.038 7.694 626 HB3 GLN 83 HB1 GLN 83 78.227 -12.659 7.498 627 HG2 GLN 83 HG2 GLN 83 79.316 -12.436 5.080 628 HG3 GLN 83 HG1 GLN 83 80.357 -11.280 5.913 629 HE21 GLN 83 HE21 GLN 83 79.117 -14.649 6.265 630 HE22 GLN 83 HE22 GLN 83 80.513 -15.238 7.030 631 H TYR 84 HN TYR 84 77.662 -8.836 7.072 632 HA TYR 84 HA TYR 84 74.914 -8.628 8.132 633 HD1 TYR 84 HD2 TYR 84 73.787 -9.564 9.956 634 HD2 TYR 84 HD1 TYR 84 77.894 -10.721 10.451 635 HE1 TYR 84 HE2 TYR 84 73.065 -11.840 10.625 636 HE2 TYR 84 HE1 TYR 84 77.172 -12.998 11.120 637 HH TYR 84 HH TYR 84 74.461 -13.814 12.225 638 HB2 TYR 84 HB2 TYR 84 77.398 -8.523 9.869 639 HB3 TYR 84 HB1 TYR 84 75.837 -7.879 10.380 640 H GLY 85 HN GLY 85 78.073 -7.200 7.506 641 HA2 GLY 85 HA2 GLY 85 78.716 -4.966 7.138 642 HA3 GLY 85 HA1 GLY 85 77.213 -4.899 6.222 643 H ILE 86 HN ILE 86 78.810 -3.915 9.117 644 HA ILE 86 HA ILE 86 76.347 -2.978 10.438 645 HB ILE 86 HB ILE 86 78.213 -1.860 11.940 646 HG12 ILE 86 HG12 ILE 86 79.806 -4.088 10.657 647 HG13 ILE 86 HG11 ILE 86 79.949 -2.412 10.127 648 HG21 ILE 86 HG21 ILE 86 78.575 -4.183 13.006 649 HG22 ILE 86 HG22 ILE 86 77.559 -4.799 11.703 650 HG23 ILE 86 HG23 ILE 86 76.911 -3.623 12.846 651 HD11 ILE 86 HD11 ILE 86 81.612 -3.228 11.928 652 HD12 ILE 86 HD12 ILE 86 80.239 -3.170 13.034 653 HD13 ILE 86 HD13 ILE 86 80.783 -1.700 12.226 654 H1U RCY 87 H1U RCY 87 78.524 -0.638 1.597 655 H1S RCY 87 H1S RCY 87 75.416 0.776 4.308 656 HB1 RCY 87 HB1 RCY 87 75.053 1.694 7.170 657 HB2 RCY 87 HB2 RCY 87 74.161 0.464 8.063 658 HA RCY 87 HA RCY 87 77.180 0.765 8.029 659 HN1 RCY 87 HN1 RCY 87 75.478 -1.381 9.073 Start of MODEL 53 1 HA MET 1 HA MET 1 60.518 -15.154 4.551 2 HB2 MET 1 HB2 MET 1 62.607 -13.928 5.099 3 HB3 MET 1 HB1 MET 1 63.547 -15.245 4.395 4 HG2 MET 1 HG2 MET 1 62.697 -14.825 2.212 5 HG3 MET 1 HG1 MET 1 61.408 -13.792 2.830 6 HE1 MET 1 HE1 MET 1 62.038 -11.741 4.457 7 HE2 MET 1 HE2 MET 1 61.503 -11.350 2.825 8 HE3 MET 1 HE3 MET 1 62.852 -10.469 3.538 9 H ASN 2 HN ASN 2 62.257 -18.081 4.938 10 HA ASN 2 HA ASN 2 61.636 -18.842 2.104 11 HB2 ASN 2 HB2 ASN 2 63.529 -20.380 2.195 12 HB3 ASN 2 HB1 ASN 2 64.081 -18.758 2.615 13 HD21 ASN 2 HD21 ASN 2 62.461 -19.341 5.304 14 HD22 ASN 2 HD22 ASN 2 63.608 -20.185 6.228 15 H LEU 3 HN LEU 3 62.252 -21.637 2.652 16 HA LEU 3 HA LEU 3 61.251 -23.573 3.531 17 HG LEU 3 HG LEU 3 61.396 -24.477 5.679 18 HB2 LEU 3 HB2 LEU 3 61.390 -22.005 5.699 19 HB3 LEU 3 HB1 LEU 3 59.637 -22.010 5.510 20 HD11 LEU 3 HD11 LEU 3 59.414 -23.284 7.644 21 HD12 LEU 3 HD12 LEU 3 61.168 -23.293 7.832 22 HD13 LEU 3 HD13 LEU 3 60.271 -24.812 7.854 23 HD21 LEU 3 HD21 LEU 3 59.520 -25.020 4.317 24 HD22 LEU 3 HD22 LEU 3 58.426 -24.051 5.303 25 HD23 LEU 3 HD23 LEU 3 59.077 -25.563 5.935 26 H GLU 4 HN GLU 4 58.917 -20.849 3.696 27 HA GLU 4 HA GLU 4 56.809 -22.587 2.609 28 HB2 GLU 4 HB2 GLU 4 55.371 -20.594 2.869 29 HB3 GLU 4 HB1 GLU 4 56.262 -20.929 4.353 30 HG2 GLU 4 HG2 GLU 4 57.999 -19.269 3.597 31 HG3 GLU 4 HG1 GLU 4 56.931 -18.845 2.258 32 HA PRO 5 HA PRO 5 57.244 -21.890 -1.733 33 HB2 PRO 5 HB2 PRO 5 54.474 -20.750 -1.546 34 HB3 PRO 5 HB1 PRO 5 55.129 -21.929 -2.700 35 HG2 PRO 5 HG2 PRO 5 53.611 -22.658 -0.612 36 HG3 PRO 5 HG1 PRO 5 54.913 -23.677 -1.243 37 HD2 PRO 5 HD2 PRO 5 54.786 -22.202 1.308 38 HD3 PRO 5 HD1 PRO 5 55.850 -23.545 0.838 39 HA PRO 6 HA PRO 6 58.173 -17.445 -1.474 40 HB2 PRO 6 HB2 PRO 6 60.008 -17.352 -3.469 41 HB3 PRO 6 HB1 PRO 6 60.379 -18.039 -1.875 42 HG2 PRO 6 HG2 PRO 6 59.746 -19.429 -4.426 43 HG3 PRO 6 HG1 PRO 6 60.905 -19.862 -3.160 44 HD2 PRO 6 HD2 PRO 6 58.392 -21.013 -3.445 45 HD3 PRO 6 HD1 PRO 6 59.326 -20.996 -1.933 46 H LYS 7 HN LYS 7 57.473 -15.628 -2.662 47 HA LYS 7 HA LYS 7 56.379 -16.108 -5.398 48 HB2 LYS 7 HB2 LYS 7 54.909 -14.565 -3.243 49 HB3 LYS 7 HB1 LYS 7 54.329 -14.937 -4.864 50 HG2 LYS 7 HG2 LYS 7 53.317 -16.692 -3.794 51 HG3 LYS 7 HG1 LYS 7 54.902 -17.440 -3.993 52 HD2 LYS 7 HD2 LYS 7 54.279 -17.700 -1.680 53 HD3 LYS 7 HD1 LYS 7 55.539 -16.468 -1.745 54 HE2 LYS 7 HE2 LYS 7 54.117 -14.791 -1.124 55 HE3 LYS 7 HE1 LYS 7 52.761 -15.471 -2.024 56 HZ1 LYS 7 HZ1 LYS 7 53.008 -17.318 -0.174 57 HZ2 LYS 7 HZ2 LYS 7 52.070 -15.923 0.068 58 HZ3 LYS 7 HZ3 LYS 7 53.643 -16.013 0.705 59 H ALA 8 HN ALA 8 55.198 -13.291 -5.047 60 HA ALA 8 HA ALA 8 57.446 -11.873 -6.180 61 HB1 ALA 8 HB1 ALA 8 55.902 -9.873 -5.957 62 HB2 ALA 8 HB2 ALA 8 54.733 -10.952 -5.196 63 HB3 ALA 8 HB3 ALA 8 55.231 -11.228 -6.866 64 H GLU 9 HN GLU 9 56.847 -12.746 -3.050 65 HA GLU 9 HA GLU 9 57.329 -11.753 -0.939 66 HB2 GLU 9 HB2 GLU 9 59.804 -11.261 -0.841 67 HB3 GLU 9 HB1 GLU 9 59.397 -12.833 -1.526 68 HG2 GLU 9 HG2 GLU 9 59.708 -12.011 -3.778 69 HG3 GLU 9 HG1 GLU 9 59.894 -10.355 -3.199 70 H1U RCY 10 H1U RCY 10 59.729 -8.957 2.067 71 H1S RCY 10 H1S RCY 10 58.279 -8.808 -2.127 72 HB1 RCY 10 HB1 RCY 10 56.145 -6.256 -3.285 73 HB2 RCY 10 HB2 RCY 10 56.125 -7.892 -3.942 74 HA RCY 10 HA RCY 10 57.165 -7.371 -1.162 75 HN1 RCY 10 HN1 RCY 10 55.801 -9.858 -1.966 76 H ARG 11 HN ARG 11 54.331 -9.263 -1.743 77 HA ARG 11 HA ARG 11 52.318 -7.269 -1.425 78 HE ARG 11 HE ARG 11 49.238 -9.958 -1.379 79 HB2 ARG 11 HB2 ARG 11 52.410 -10.231 -0.850 80 HB3 ARG 11 HB1 ARG 11 50.970 -9.280 -0.490 81 HG2 ARG 11 HG2 ARG 11 52.221 -9.005 -3.198 82 HG3 ARG 11 HG1 ARG 11 51.258 -10.443 -2.857 83 HD2 ARG 11 HD2 ARG 11 50.310 -7.589 -2.467 84 HD3 ARG 11 HD1 ARG 11 49.883 -8.618 -3.834 85 HH11 ARG 11 HH21 ARG 11 48.321 -7.354 -3.442 86 HH12 ARG 11 HH22 ARG 11 46.650 -7.407 -2.988 87 HH21 ARG 11 HH11 ARG 11 47.062 -10.043 -0.774 88 HH22 ARG 11 HH12 ARG 11 45.937 -8.929 -1.478 89 H SER 12 HN SER 12 51.339 -6.414 0.424 90 HA SER 12 HA SER 12 52.850 -5.953 2.727 91 HG SER 12 HG SER 12 51.011 -3.689 2.934 92 HB2 SER 12 HB2 SER 12 49.849 -6.049 2.356 93 HB3 SER 12 HB1 SER 12 50.605 -5.523 3.858 94 H ALA 13 HN ALA 13 53.819 -7.707 3.715 95 HA ALA 13 HA ALA 13 51.976 -9.706 4.965 96 HB1 ALA 13 HB1 ALA 13 53.267 -10.616 2.955 97 HB2 ALA 13 HB2 ALA 13 53.482 -11.498 4.466 98 HB3 ALA 13 HB3 ALA 13 54.731 -10.385 3.910 99 H THR 14 HN THR 14 54.095 -7.259 5.468 100 HA THR 14 HA THR 14 54.498 -7.985 8.257 101 HB THR 14 HB THR 14 57.151 -7.391 7.433 102 HG1 THR 14 HG1 THR 14 57.396 -8.407 5.631 103 HG21 THR 14 HG21 THR 14 57.575 -9.700 8.275 104 HG22 THR 14 HG22 THR 14 55.833 -9.979 8.304 105 HG23 THR 14 HG23 THR 14 56.550 -8.761 9.359 106 H ARG 15 HN ARG 15 56.500 -6.154 8.898 107 HA ARG 15 HA ARG 15 55.793 -3.597 7.585 108 HE ARG 15 HE ARG 15 52.364 -3.986 11.102 109 HB2 ARG 15 HB2 ARG 15 55.196 -2.533 9.733 110 HB3 ARG 15 HB1 ARG 15 54.090 -3.853 9.351 111 HG2 ARG 15 HG2 ARG 15 55.602 -5.350 10.763 112 HG3 ARG 15 HG1 ARG 15 56.383 -3.871 11.323 113 HD2 ARG 15 HD2 ARG 15 54.579 -4.600 12.865 114 HD3 ARG 15 HD1 ARG 15 54.237 -3.023 12.154 115 HH11 ARG 15 HH21 ARG 15 54.670 -6.366 12.054 116 HH12 ARG 15 HH22 ARG 15 53.671 -7.707 11.604 117 HH21 ARG 15 HH11 ARG 15 51.046 -5.724 10.508 118 HH22 ARG 15 HH12 ARG 15 51.619 -7.343 10.729 119 H VAL 16 HN VAL 16 57.438 -2.064 7.792 120 HA VAL 16 HA VAL 16 59.653 -2.582 9.684 121 HB VAL 16 HB VAL 16 60.279 -3.864 7.672 122 HG11 VAL 16 HG11 VAL 16 58.873 -2.327 6.158 123 HG12 VAL 16 HG12 VAL 16 60.421 -2.876 5.516 124 HG13 VAL 16 HG13 VAL 16 60.265 -1.244 6.166 125 HG21 VAL 16 HG21 VAL 16 62.462 -2.902 7.365 126 HG22 VAL 16 HG22 VAL 16 61.978 -2.534 9.021 127 HG23 VAL 16 HG23 VAL 16 61.875 -1.290 7.775 128 H MET 17 HN MET 17 58.409 -0.547 7.032 129 HA MET 17 HA MET 17 59.820 1.796 8.185 130 HB2 MET 17 HB2 MET 17 58.963 2.970 6.153 131 HB3 MET 17 HB1 MET 17 59.942 1.557 5.764 132 HG2 MET 17 HG2 MET 17 58.217 0.679 4.614 133 HG3 MET 17 HG1 MET 17 57.241 0.683 6.082 134 HE1 MET 17 HE1 MET 17 57.878 4.253 3.336 135 HE2 MET 17 HE2 MET 17 57.810 2.675 2.555 136 HE3 MET 17 HE3 MET 17 59.003 2.977 3.816 137 H GLY 18 HN GLY 18 58.718 3.521 9.129 138 HA2 GLY 18 HA2 GLY 18 56.074 4.278 8.961 139 HA3 GLY 18 HA1 GLY 18 56.035 2.953 10.124 140 H GLY 19 HN GLY 19 56.594 3.396 12.221 141 HA2 GLY 19 HA2 GLY 19 57.285 6.190 12.872 142 HA3 GLY 19 HA1 GLY 19 56.816 4.945 14.029 143 HA PRO 20 HA PRO 20 60.862 3.644 15.171 144 HB2 PRO 20 HB2 PRO 20 60.822 1.370 13.219 145 HB3 PRO 20 HB1 PRO 20 61.217 1.362 14.949 146 HG2 PRO 20 HG2 PRO 20 58.871 0.479 14.051 147 HG3 PRO 20 HG1 PRO 20 59.011 1.348 15.588 148 HD2 PRO 20 HD2 PRO 20 57.870 2.282 13.002 149 HD3 PRO 20 HD1 PRO 20 57.483 2.796 14.658 150 H1U RCY 21 H1U RCY 21 60.383 -0.498 6.235 151 H1S RCY 21 H1S RCY 21 62.125 3.463 6.958 152 HB1 RCY 21 HB1 RCY 21 61.350 3.288 9.085 153 HB2 RCY 21 HB2 RCY 21 62.250 2.072 9.991 154 HA RCY 21 HA RCY 21 63.319 4.046 11.249 155 HN1 RCY 21 HN1 RCY 21 60.545 3.099 11.639 156 H THR 22 HN THR 22 63.261 6.277 11.632 157 HA THR 22 HA THR 22 61.239 8.085 10.883 158 HB THR 22 HB THR 22 63.168 8.694 12.316 159 HG1 THR 22 HG1 THR 22 62.925 10.674 11.685 160 HG21 THR 22 HG21 THR 22 64.809 7.406 10.830 161 HG22 THR 22 HG22 THR 22 65.366 8.965 11.440 162 HG23 THR 22 HG23 THR 22 64.800 8.820 9.776 163 HA PRO 23 HA PRO 23 61.390 8.047 6.450 164 HB2 PRO 23 HB2 PRO 23 60.613 10.653 5.931 165 HB3 PRO 23 HB1 PRO 23 59.498 9.342 6.358 166 HG2 PRO 23 HG2 PRO 23 60.617 11.499 8.067 167 HG3 PRO 23 HG1 PRO 23 58.999 10.778 8.069 168 HD2 PRO 23 HD2 PRO 23 60.884 10.133 9.930 169 HD3 PRO 23 HD1 PRO 23 59.654 8.974 9.378 170 H ARG 24 HN ARG 24 62.491 9.127 4.587 171 HA ARG 24 HA ARG 24 65.211 9.538 4.909 172 HE ARG 24 HE ARG 24 64.833 9.056 -0.337 173 HB2 ARG 24 HB2 ARG 24 63.338 10.796 2.889 174 HB3 ARG 24 HB1 ARG 24 65.094 10.885 2.769 175 HG2 ARG 24 HG2 ARG 24 64.280 8.157 3.274 176 HG3 ARG 24 HG1 ARG 24 63.433 8.787 1.861 177 HD2 ARG 24 HD2 ARG 24 66.402 9.193 2.197 178 HD3 ARG 24 HD1 ARG 24 65.762 7.709 1.490 179 HH11 ARG 24 HH21 ARG 24 66.853 10.660 1.950 180 HH12 ARG 24 HH22 ARG 24 67.191 12.003 0.910 181 HH21 ARG 24 HH11 ARG 24 65.262 10.801 -1.709 182 HH22 ARG 24 HH12 ARG 24 66.290 12.083 -1.162 183 H LYS 25 HN LYS 25 63.065 12.316 4.256 184 HA LYS 25 HA LYS 25 64.843 14.315 5.102 185 HB2 LYS 25 HB2 LYS 25 61.819 14.283 5.368 186 HB3 LYS 25 HB1 LYS 25 62.830 15.725 5.462 187 HG2 LYS 25 HG2 LYS 25 63.082 13.933 3.070 188 HG3 LYS 25 HG1 LYS 25 61.713 15.041 3.167 189 HD2 LYS 25 HD2 LYS 25 63.044 16.922 3.026 190 HD3 LYS 25 HD1 LYS 25 64.428 16.128 3.778 191 HE2 LYS 25 HE2 LYS 25 63.437 15.293 1.053 192 HE3 LYS 25 HE1 LYS 25 64.575 16.627 1.245 193 HZ1 LYS 25 HZ1 LYS 25 64.945 13.770 1.815 194 HZ2 LYS 25 HZ2 LYS 25 65.830 14.910 2.712 195 HZ3 LYS 25 HZ3 LYS 25 65.982 14.852 1.021 196 H GLY 26 HN GLY 26 65.952 13.676 7.001 197 HA2 GLY 26 HA2 GLY 26 64.597 14.339 9.492 198 HA3 GLY 26 HA1 GLY 26 64.983 12.621 9.366 199 HA PRO 27 HA PRO 27 68.680 14.221 11.531 200 HB2 PRO 27 HB2 PRO 27 69.359 11.335 11.077 201 HB3 PRO 27 HB1 PRO 27 69.547 12.316 12.543 202 HG2 PRO 27 HG2 PRO 27 67.562 10.562 12.294 203 HG3 PRO 27 HG1 PRO 27 67.328 12.111 13.122 204 HD2 PRO 27 HD2 PRO 27 66.342 11.246 10.446 205 HD3 PRO 27 HD1 PRO 27 65.646 12.425 11.579 206 HA PRO 28 HA PRO 28 71.614 15.150 8.357 207 HB2 PRO 28 HB2 PRO 28 73.560 13.494 9.937 208 HB3 PRO 28 HB1 PRO 28 73.772 15.109 9.232 209 HG2 PRO 28 HG2 PRO 28 73.275 14.744 11.840 210 HG3 PRO 28 HG1 PRO 28 72.675 16.150 10.949 211 HD2 PRO 28 HD2 PRO 28 71.163 13.860 12.038 212 HD3 PRO 28 HD1 PRO 28 70.576 15.463 11.545 213 H LYS 29 HN LYS 29 72.277 14.184 6.420 214 HA LYS 29 HA LYS 29 72.776 11.293 6.294 215 HB2 LYS 29 HB2 LYS 29 70.200 11.789 6.170 216 HB3 LYS 29 HB1 LYS 29 70.565 12.330 4.532 217 HG2 LYS 29 HG2 LYS 29 71.781 10.094 4.225 218 HG3 LYS 29 HG1 LYS 29 71.002 9.585 5.723 219 HD2 LYS 29 HD2 LYS 29 68.802 10.386 4.593 220 HD3 LYS 29 HD1 LYS 29 69.724 10.306 3.091 221 HE2 LYS 29 HE2 LYS 29 68.928 8.085 4.945 222 HE3 LYS 29 HE1 LYS 29 68.844 8.153 3.184 223 HZ1 LYS 29 HZ1 LYS 29 71.426 8.332 3.433 224 HZ2 LYS 29 HZ2 LYS 29 70.652 6.820 3.468 225 HZ3 LYS 29 HZ3 LYS 29 71.133 7.566 4.917 226 H1U RCY 30 H1U RCY 30 71.467 17.926 -2.781 227 H1S RCY 30 H1S RCY 30 71.384 14.597 0.755 228 HB1 RCY 30 HB1 RCY 30 73.103 13.526 1.835 229 HB2 RCY 30 HB2 RCY 30 74.031 14.966 1.416 230 HA RCY 30 HA RCY 30 75.122 13.478 3.151 231 HN1 RCY 30 HN1 RCY 30 73.388 14.376 5.304 232 H LYS 31 HN LYS 31 73.951 16.599 2.556 233 HA LYS 31 HA LYS 31 74.837 18.724 2.981 234 HB2 LYS 31 HB2 LYS 31 74.299 17.942 5.382 235 HB3 LYS 31 HB1 LYS 31 76.021 17.593 5.518 236 HG2 LYS 31 HG2 LYS 31 76.014 19.782 6.267 237 HG3 LYS 31 HG1 LYS 31 76.238 20.062 4.539 238 HD2 LYS 31 HD2 LYS 31 73.788 20.333 4.278 239 HD3 LYS 31 HD1 LYS 31 73.589 20.103 6.016 240 HE2 LYS 31 HE2 LYS 31 75.293 22.283 4.780 241 HE3 LYS 31 HE1 LYS 31 73.633 22.518 5.328 242 HZ1 LYS 31 HZ1 LYS 31 75.401 21.251 7.240 243 HZ2 LYS 31 HZ2 LYS 31 74.240 22.469 7.471 244 HZ3 LYS 31 HZ3 LYS 31 75.782 22.864 6.876 245 H GLN 32 HN GLN 32 76.812 15.920 2.966 246 HA GLN 32 HA GLN 32 79.275 17.559 2.577 247 HB2 GLN 32 HB2 GLN 32 78.983 15.419 4.176 248 HB3 GLN 32 HB1 GLN 32 79.377 14.571 2.681 249 HG2 GLN 32 HG2 GLN 32 81.323 16.296 2.490 250 HG3 GLN 32 HG1 GLN 32 81.041 16.563 4.210 251 HE21 GLN 32 HE21 GLN 32 81.303 14.658 5.667 252 HE22 GLN 32 HE22 GLN 32 82.271 13.351 5.182 253 H ARG 33 HN ARG 33 80.637 15.503 1.055 254 HA ARG 33 HA ARG 33 79.115 14.783 -1.281 255 HE ARG 33 HE ARG 33 83.248 19.081 -1.695 256 HB2 ARG 33 HB2 ARG 33 80.132 16.383 -2.874 257 HB3 ARG 33 HB1 ARG 33 79.142 17.210 -1.672 258 HG2 ARG 33 HG2 ARG 33 81.303 17.506 -0.320 259 HG3 ARG 33 HG1 ARG 33 82.156 17.021 -1.786 260 HD2 ARG 33 HD2 ARG 33 80.819 18.847 -2.988 261 HD3 ARG 33 HD1 ARG 33 80.371 19.428 -1.384 262 HH11 ARG 33 HH21 ARG 33 80.506 21.107 -2.205 263 HH12 ARG 33 HH22 ARG 33 81.424 22.576 -2.206 264 HH21 ARG 33 HH11 ARG 33 84.463 20.987 -1.693 265 HH22 ARG 33 HH12 ARG 33 83.665 22.508 -1.915 266 H GLN 34 HN GLN 34 82.002 14.951 0.534 267 HA GLN 34 HA GLN 34 83.125 12.666 -0.801 268 HB2 GLN 34 HB2 GLN 34 83.728 14.173 -2.576 269 HB3 GLN 34 HB1 GLN 34 84.331 15.373 -1.433 270 HG2 GLN 34 HG2 GLN 34 86.176 13.971 -0.803 271 HG3 GLN 34 HG1 GLN 34 85.500 12.590 -1.667 272 HE21 GLN 34 HE21 GLN 34 85.308 15.785 -3.127 273 HE22 GLN 34 HE22 GLN 34 86.477 15.513 -4.327 274 H THR 35 HN THR 35 83.880 11.694 1.019 275 HA THR 35 HA THR 35 85.022 13.320 3.202 276 HB THR 35 HB THR 35 84.681 10.310 2.996 277 HG1 THR 35 HG1 THR 35 83.057 11.784 4.646 278 HG21 THR 35 HG21 THR 35 86.167 10.580 4.748 279 HG22 THR 35 HG22 THR 35 84.641 10.788 5.608 280 HG23 THR 35 HG23 THR 35 85.584 12.200 5.130 281 H ARG 36 HN ARG 36 86.466 10.245 2.966 282 HA ARG 36 HA ARG 36 88.657 10.904 1.211 283 HE ARG 36 HE ARG 36 91.002 12.986 5.218 284 HB2 ARG 36 HB2 ARG 36 89.095 12.441 3.177 285 HB3 ARG 36 HB1 ARG 36 89.318 10.997 4.166 286 HG2 ARG 36 HG2 ARG 36 91.245 10.337 2.994 287 HG3 ARG 36 HG1 ARG 36 90.848 11.332 1.593 288 HD2 ARG 36 HD2 ARG 36 92.691 12.324 2.923 289 HD3 ARG 36 HD1 ARG 36 91.272 13.370 2.896 290 HH11 ARG 36 HH21 ARG 36 93.211 10.783 3.751 291 HH12 ARG 36 HH22 ARG 36 93.753 10.117 5.256 292 HH21 ARG 36 HH11 ARG 36 91.696 12.128 7.191 293 HH22 ARG 36 HH12 ARG 36 92.895 10.878 7.203 294 H GLN 37 HN GLN 37 87.323 8.658 1.060 295 HA GLN 37 HA GLN 37 89.265 6.621 1.789 296 HB2 GLN 37 HB2 GLN 37 87.841 6.962 3.897 297 HB3 GLN 37 HB1 GLN 37 86.504 6.275 2.972 298 HG2 GLN 37 HG2 GLN 37 87.776 4.228 2.582 299 HG3 GLN 37 HG1 GLN 37 89.180 4.914 3.401 300 HE21 GLN 37 HE21 GLN 37 89.248 3.517 5.234 301 HE22 GLN 37 HE22 GLN 37 87.988 3.408 6.367 302 H1U RCY 38 H1U RCY 38 85.983 -0.838 -2.175 303 H1S RCY 38 H1S RCY 38 86.464 1.634 1.095 304 HB1 RCY 38 HB1 RCY 38 85.670 3.217 -1.345 305 HB2 RCY 38 HB2 RCY 38 85.466 4.947 -1.073 306 HA RCY 38 HA RCY 38 87.985 3.306 -1.055 307 HN1 RCY 38 HN1 RCY 38 88.846 4.631 0.677 308 H LYS 39 HN LYS 39 89.652 5.349 -1.821 309 HA LYS 39 HA LYS 39 88.320 6.811 -4.028 310 HB2 LYS 39 HB2 LYS 39 90.820 7.607 -4.328 311 HB3 LYS 39 HB1 LYS 39 89.849 8.243 -3.002 312 HG2 LYS 39 HG2 LYS 39 92.107 7.498 -2.251 313 HG3 LYS 39 HG1 LYS 39 90.807 6.603 -1.463 314 HD2 LYS 39 HD2 LYS 39 91.164 4.683 -2.796 315 HD3 LYS 39 HD1 LYS 39 92.103 5.580 -3.989 316 HE2 LYS 39 HE2 LYS 39 93.896 5.923 -2.336 317 HE3 LYS 39 HE1 LYS 39 92.957 5.047 -1.127 318 HZ1 LYS 39 HZ1 LYS 39 92.996 3.361 -3.254 319 HZ2 LYS 39 HZ2 LYS 39 93.996 3.249 -1.884 320 HZ3 LYS 39 HZ3 LYS 39 94.552 4.035 -3.283 321 H SER 40 HN SER 40 88.911 3.787 -3.879 322 HA SER 40 HA SER 40 89.750 3.549 -6.676 323 HG SER 40 HG SER 40 92.063 3.874 -6.840 324 HB2 SER 40 HB2 SER 40 91.475 2.569 -4.399 325 HB3 SER 40 HB1 SER 40 91.550 1.833 -5.998 326 H LYS 41 HN LYS 41 90.018 1.156 -4.060 327 HA LYS 41 HA LYS 41 87.760 -0.335 -5.341 328 HB2 LYS 41 HB2 LYS 41 89.084 -2.174 -3.738 329 HB3 LYS 41 HB1 LYS 41 89.302 -1.998 -5.476 330 HG2 LYS 41 HG2 LYS 41 91.494 -1.882 -4.502 331 HG3 LYS 41 HG1 LYS 41 91.065 -0.235 -4.965 332 HD2 LYS 41 HD2 LYS 41 90.296 0.186 -2.632 333 HD3 LYS 41 HD1 LYS 41 90.843 -1.432 -2.188 334 HE2 LYS 41 HE2 LYS 41 92.489 0.948 -3.022 335 HE3 LYS 41 HE1 LYS 41 92.676 -0.081 -1.602 336 HZ1 LYS 41 HZ1 LYS 41 94.358 -0.581 -3.244 337 HZ2 LYS 41 HZ2 LYS 41 93.169 -0.885 -4.419 338 HZ3 LYS 41 HZ3 LYS 41 93.312 -1.905 -3.068 339 HA PRO 42 HA PRO 42 85.385 0.024 -1.662 340 HB2 PRO 42 HB2 PRO 42 84.312 -2.534 -1.458 341 HB3 PRO 42 HB1 PRO 42 83.696 -1.260 -2.523 342 HG2 PRO 42 HG2 PRO 42 85.418 -3.587 -3.155 343 HG3 PRO 42 HG1 PRO 42 84.166 -2.806 -4.133 344 HD2 PRO 42 HD2 PRO 42 86.841 -2.436 -4.574 345 HD3 PRO 42 HD1 PRO 42 85.619 -1.204 -4.957 346 HA PRO 43 HA PRO 43 87.665 -1.621 1.770 347 HB2 PRO 43 HB2 PRO 43 85.831 -1.528 3.767 348 HB3 PRO 43 HB1 PRO 43 86.498 -0.057 3.029 349 HG2 PRO 43 HG2 PRO 43 83.882 -1.391 2.530 350 HG3 PRO 43 HG1 PRO 43 84.259 0.333 2.682 351 HD2 PRO 43 HD2 PRO 43 83.922 -0.933 0.261 352 HD3 PRO 43 HD1 PRO 43 84.927 0.517 0.478 353 H LYS 44 HN LYS 44 87.714 -3.415 3.406 354 HA LYS 44 HA LYS 44 87.236 -5.601 4.149 355 HB2 LYS 44 HB2 LYS 44 84.762 -4.754 3.487 356 HB3 LYS 44 HB1 LYS 44 84.974 -5.977 2.235 357 HG2 LYS 44 HG2 LYS 44 85.586 -7.632 3.991 358 HG3 LYS 44 HG1 LYS 44 85.277 -6.407 5.223 359 HD2 LYS 44 HD2 LYS 44 82.950 -6.271 4.612 360 HD3 LYS 44 HD1 LYS 44 83.209 -7.282 3.190 361 HE2 LYS 44 HE2 LYS 44 82.204 -8.492 5.175 362 HE3 LYS 44 HE1 LYS 44 83.688 -9.209 4.550 363 HZ1 LYS 44 HZ1 LYS 44 83.222 -8.425 7.130 364 HZ2 LYS 44 HZ2 LYS 44 84.221 -7.202 6.501 365 HZ3 LYS 44 HZ3 LYS 44 84.727 -8.823 6.456 366 H LYS 45 HN LYS 45 86.160 -7.665 2.305 367 HA LYS 45 HA LYS 45 88.653 -8.170 0.863 368 HB2 LYS 45 HB2 LYS 45 87.309 -9.957 2.038 369 HB3 LYS 45 HB1 LYS 45 86.080 -9.768 0.789 370 HG2 LYS 45 HG2 LYS 45 87.476 -11.590 0.091 371 HG3 LYS 45 HG1 LYS 45 87.912 -10.212 -0.920 372 HD2 LYS 45 HD2 LYS 45 89.470 -10.173 1.510 373 HD3 LYS 45 HD1 LYS 45 89.635 -11.740 0.717 374 HE2 LYS 45 HE2 LYS 45 90.396 -10.747 -1.313 375 HE3 LYS 45 HE1 LYS 45 89.899 -9.136 -0.795 376 HZ1 LYS 45 HZ1 LYS 45 92.358 -9.767 -0.615 377 HZ2 LYS 45 HZ2 LYS 45 91.891 -10.672 0.745 378 HZ3 LYS 45 HZ3 LYS 45 91.634 -8.993 0.710 379 H GLY 46 HN GLY 46 88.246 -6.125 -0.497 380 HA2 GLY 46 HA2 GLY 46 86.576 -6.844 -2.876 381 HA3 GLY 46 HA1 GLY 46 86.739 -5.184 -2.301 382 H VAL 47 HN VAL 47 89.345 -4.795 -1.897 383 HA VAL 47 HA VAL 47 91.048 -3.956 -3.348 384 HB VAL 47 HB VAL 47 91.712 -6.055 -1.973 385 HG11 VAL 47 HG11 VAL 47 90.561 -7.431 -3.974 386 HG12 VAL 47 HG12 VAL 47 91.906 -8.085 -3.038 387 HG13 VAL 47 HG13 VAL 47 92.203 -7.348 -4.613 388 HG21 VAL 47 HG21 VAL 47 93.931 -6.125 -3.150 389 HG22 VAL 47 HG22 VAL 47 93.360 -4.486 -2.836 390 HG23 VAL 47 HG23 VAL 47 93.221 -5.174 -4.454 391 H GLN 48 HN GLN 48 88.788 -4.119 -4.981 392 HA GLN 48 HA GLN 48 89.822 -5.429 -7.464 393 HB2 GLN 48 HB2 GLN 48 87.555 -6.131 -6.668 394 HB3 GLN 48 HB1 GLN 48 87.010 -4.466 -6.867 395 HG2 GLN 48 HG2 GLN 48 87.153 -4.550 -9.189 396 HG3 GLN 48 HG1 GLN 48 88.357 -5.839 -9.169 397 HE21 GLN 48 HE21 GLN 48 86.599 -6.691 -10.832 398 HE22 GLN 48 HE22 GLN 48 85.376 -7.664 -10.169 399 H GLY 49 HN GLY 49 87.493 -2.765 -7.138 400 HA2 GLY 49 HA2 GLY 49 88.997 -0.517 -7.600 401 HA3 GLY 49 HA1 GLY 49 88.930 -1.263 -9.197 402 H1U RCY 50 H1U RCY 50 79.198 3.611 -4.466 403 H1S RCY 50 H1S RCY 50 81.541 2.024 -7.363 404 HB1 RCY 50 HB1 RCY 50 85.748 2.228 -7.002 405 HB2 RCY 50 HB2 RCY 50 84.683 0.826 -7.095 406 HA RCY 50 HA RCY 50 84.979 0.648 -9.467 407 HN1 RCY 50 HN1 RCY 50 87.775 1.234 -8.770 408 H GLY 51 HN GLY 51 86.301 3.684 -8.214 409 HA2 GLY 51 HA2 GLY 51 86.574 5.761 -9.269 410 HA3 GLY 51 HA1 GLY 51 87.196 4.832 -10.633 411 H ASP 52 HN ASP 52 85.887 4.536 -12.421 412 HA ASP 52 HA ASP 52 84.102 4.922 -13.878 413 HB2 ASP 52 HB2 ASP 52 82.051 4.174 -13.146 414 HB3 ASP 52 HB1 ASP 52 83.036 3.572 -11.815 415 H ASP 53 HN ASP 53 83.497 6.800 -14.842 416 HA ASP 53 HA ASP 53 83.178 9.110 -15.113 417 HB2 ASP 53 HB2 ASP 53 81.060 8.320 -13.884 418 HB3 ASP 53 HB1 ASP 53 81.794 8.994 -12.428 419 H ILE 54 HN ILE 54 82.831 10.819 -12.581 420 HA ILE 54 HA ILE 54 85.752 11.133 -12.047 421 HB ILE 54 HB ILE 54 83.438 13.081 -11.901 422 HG12 ILE 54 HG12 ILE 54 84.759 12.377 -14.089 423 HG13 ILE 54 HG11 ILE 54 84.364 14.070 -13.792 424 HG21 ILE 54 HG21 ILE 54 86.280 13.280 -10.904 425 HG22 ILE 54 HG22 ILE 54 84.789 13.698 -10.059 426 HG23 ILE 54 HG23 ILE 54 85.373 14.718 -11.374 427 HD11 ILE 54 HD11 ILE 54 86.555 14.575 -13.060 428 HD12 ILE 54 HD12 ILE 54 86.803 13.517 -14.449 429 HD13 ILE 54 HD13 ILE 54 86.956 12.876 -12.813 430 HA PRO 55 HA PRO 55 84.270 9.725 -7.969 431 HB2 PRO 55 HB2 PRO 55 86.598 8.639 -7.119 432 HB3 PRO 55 HB1 PRO 55 85.555 7.819 -8.298 433 HG2 PRO 55 HG2 PRO 55 88.066 9.344 -8.743 434 HG3 PRO 55 HG1 PRO 55 87.476 7.879 -9.543 435 HD2 PRO 55 HD2 PRO 55 87.290 10.453 -10.602 436 HD3 PRO 55 HD1 PRO 55 86.297 9.070 -11.110 437 H GLY 56 HN GLY 56 84.052 11.950 -7.202 438 HA2 GLY 56 HA2 GLY 56 85.664 12.690 -5.042 439 HA3 GLY 56 HA1 GLY 56 86.353 13.524 -6.435 440 H MET 57 HN MET 57 84.014 14.097 -7.875 441 HA MET 57 HA MET 57 83.052 16.405 -6.411 442 HB2 MET 57 HB2 MET 57 82.188 15.149 -9.030 443 HB3 MET 57 HB1 MET 57 81.524 16.659 -8.404 444 HG2 MET 57 HG2 MET 57 83.850 17.585 -8.316 445 HG3 MET 57 HG1 MET 57 84.425 16.108 -9.091 446 HE1 MET 57 HE1 MET 57 84.130 19.451 -9.701 447 HE2 MET 57 HE2 MET 57 84.155 19.461 -11.463 448 HE3 MET 57 HE3 MET 57 85.319 18.478 -10.577 449 H GLU 58 HN GLU 58 82.342 13.263 -5.935 450 HA GLU 58 HA GLU 58 79.907 13.840 -4.496 451 HB2 GLU 58 HB2 GLU 58 79.061 13.779 -6.865 452 HB3 GLU 58 HB1 GLU 58 79.601 12.102 -6.961 453 HG2 GLU 58 HG2 GLU 58 78.087 11.422 -5.231 454 HG3 GLU 58 HG1 GLU 58 77.709 13.095 -4.817 455 H GLY 59 HN GLY 59 80.428 12.624 -2.742 456 HA2 GLY 59 HA2 GLY 59 80.609 9.726 -2.999 457 HA3 GLY 59 HA1 GLY 59 82.138 10.466 -2.519 458 H1U RCY 60 H1U RCY 60 74.133 8.260 -1.287 459 H1S RCY 60 H1S RCY 60 76.687 11.327 -1.867 460 HB1 RCY 60 HB1 RCY 60 78.427 12.164 1.952 461 HB2 RCY 60 HB2 RCY 60 78.632 10.639 1.091 462 HA RCY 60 HA RCY 60 80.547 12.950 1.317 463 HN1 RCY 60 HN1 RCY 60 81.244 12.526 -0.882 464 H GLY 61 HN GLY 61 79.413 10.572 2.924 465 HA2 GLY 61 HA2 GLY 61 81.865 8.932 3.230 466 HA3 GLY 61 HA1 GLY 61 81.323 9.861 4.629 467 H THR 62 HN THR 62 80.512 8.316 5.986 468 HA THR 62 HA THR 62 78.124 6.844 5.055 469 HB THR 62 HB THR 62 79.243 4.891 4.817 470 HG1 THR 62 HG1 THR 62 79.576 5.378 7.574 471 HG21 THR 62 HG21 THR 62 81.560 6.344 6.117 472 HG22 THR 62 HG22 THR 62 81.320 6.044 4.396 473 HG23 THR 62 HG23 THR 62 81.669 4.701 5.485 474 H ASP 63 HN ASP 63 76.610 6.955 6.610 475 HA ASP 63 HA ASP 63 76.854 8.398 8.982 476 HB2 ASP 63 HB2 ASP 63 75.004 6.101 8.298 477 HB3 ASP 63 HB1 ASP 63 74.835 7.069 9.764 478 H ILE 64 HN ILE 64 77.066 4.816 8.679 479 HA ILE 64 HA ILE 64 77.916 4.620 11.466 480 HB ILE 64 HB ILE 64 76.603 2.868 9.959 481 HG12 ILE 64 HG12 ILE 64 77.017 2.580 12.344 482 HG13 ILE 64 HG11 ILE 64 77.430 1.081 11.512 483 HG21 ILE 64 HG21 ILE 64 79.498 2.012 9.657 484 HG22 ILE 64 HG22 ILE 64 78.504 2.661 8.352 485 HG23 ILE 64 HG23 ILE 64 78.080 1.123 9.103 486 HD11 ILE 64 HD11 ILE 64 79.267 1.439 12.949 487 HD12 ILE 64 HD12 ILE 64 79.284 3.175 12.638 488 HD13 ILE 64 HD13 ILE 64 79.831 2.051 11.394 489 H THR 65 HN THR 65 79.452 3.983 8.321 490 HA THR 65 HA THR 65 81.815 5.163 8.308 491 HB THR 65 HB THR 65 81.988 3.066 10.488 492 HG1 THR 65 HG1 THR 65 82.118 4.805 11.622 493 HG21 THR 65 HG21 THR 65 83.837 2.484 9.134 494 HG22 THR 65 HG22 THR 65 84.512 3.589 10.332 495 HG23 THR 65 HG23 THR 65 84.158 4.164 8.702 496 H VAL 66 HN VAL 66 80.183 2.135 8.124 497 HA VAL 66 HA VAL 66 81.630 1.489 5.638 498 HB VAL 66 HB VAL 66 81.668 -0.997 6.674 499 HG11 VAL 66 HG11 VAL 66 83.785 1.103 7.234 500 HG12 VAL 66 HG12 VAL 66 83.584 0.251 5.703 501 HG13 VAL 66 HG13 VAL 66 84.048 -0.639 7.153 502 HG21 VAL 66 HG21 VAL 66 80.764 0.105 8.860 503 HG22 VAL 66 HG22 VAL 66 82.424 0.661 9.075 504 HG23 VAL 66 HG23 VAL 66 82.075 -1.066 8.992 505 H ILE 67 HN ILE 67 79.533 -0.423 7.826 506 HA ILE 67 HA ILE 67 77.377 -0.263 5.762 507 HB ILE 67 HB ILE 67 78.409 -2.752 7.155 508 HG12 ILE 67 HG12 ILE 67 79.650 -2.043 5.134 509 HG13 ILE 67 HG11 ILE 67 78.757 -3.535 4.840 510 HG21 ILE 67 HG21 ILE 67 76.046 -2.981 7.179 511 HG22 ILE 67 HG22 ILE 67 76.560 -3.838 5.726 512 HG23 ILE 67 HG23 ILE 67 75.875 -2.218 5.599 513 HD11 ILE 67 HD11 ILE 67 76.863 -1.773 4.110 514 HD12 ILE 67 HD12 ILE 67 78.076 -2.372 2.978 515 HD13 ILE 67 HD13 ILE 67 78.291 -0.802 3.751 516 H1U RCY 68 H1U RCY 68 77.625 1.352 3.726 517 H1S RCY 68 H1S RCY 68 75.086 0.669 6.774 518 HB1 RCY 68 HB1 RCY 68 75.050 2.820 8.365 519 HB2 RCY 68 HB2 RCY 68 73.791 2.338 9.496 520 HA RCY 68 HA RCY 68 75.630 0.818 9.816 521 HN1 RCY 68 HN1 RCY 68 76.070 1.091 7.014 522 HA PRO 69 HA PRO 69 72.937 -2.690 9.935 523 HB2 PRO 69 HB2 PRO 69 71.593 -2.255 12.252 524 HB3 PRO 69 HB1 PRO 69 73.320 -2.662 12.212 525 HG2 PRO 69 HG2 PRO 69 72.022 -0.005 12.563 526 HG3 PRO 69 HG1 PRO 69 73.437 -0.688 13.383 527 HD2 PRO 69 HD2 PRO 69 73.611 1.105 11.299 528 HD3 PRO 69 HD1 PRO 69 74.879 -0.077 11.686 529 H TRP 70 HN TRP 70 71.280 0.464 10.361 530 HA TRP 70 HA TRP 70 68.643 -0.588 10.007 531 HD1 TRP 70 HD1 TRP 70 70.454 2.915 7.805 532 HE1 TRP 70 HE1 TRP 70 72.523 4.161 8.703 533 HE3 TRP 70 HE3 TRP 70 70.098 1.753 12.764 534 HZ2 TRP 70 HZ2 TRP 70 73.856 4.606 11.199 535 HZ3 TRP 70 HZ3 TRP 70 71.776 2.598 14.376 536 HH2 TRP 70 HH2 TRP 70 73.652 4.021 13.604 537 HB2 TRP 70 HB2 TRP 70 68.314 1.907 9.039 538 HB3 TRP 70 HB1 TRP 70 68.445 1.566 10.760 539 H GLU 71 HN GLU 71 70.869 -1.317 7.987 540 HA GLU 71 HA GLU 71 69.072 -1.419 5.689 541 HB2 GLU 71 HB2 GLU 71 71.537 0.324 5.688 542 HB3 GLU 71 HB1 GLU 71 70.927 -0.385 4.194 543 HG2 GLU 71 HG2 GLU 71 68.620 0.606 5.056 544 HG3 GLU 71 HG1 GLU 71 69.678 1.696 5.951 545 H ALA 72 HN ALA 72 70.677 -3.156 7.552 546 HA ALA 72 HA ALA 72 72.871 -4.310 6.111 547 HB1 ALA 72 HB1 ALA 72 71.059 -5.369 8.289 548 HB2 ALA 72 HB2 ALA 72 72.719 -4.793 8.444 549 HB3 ALA 72 HB3 ALA 72 72.388 -6.318 7.623 550 H1U RCY 73 H1U RCY 73 73.602 -1.836 -2.147 551 H1S RCY 73 H1S RCY 73 71.846 -5.980 -1.214 552 HB1 RCY 73 HB1 RCY 73 72.595 -6.762 1.731 553 HB2 RCY 73 HB2 RCY 73 72.027 -5.098 1.826 554 HA RCY 73 HA RCY 73 70.033 -6.213 3.187 555 HN1 RCY 73 HN1 RCY 73 72.545 -5.069 4.060 556 H ASN 74 HN ASN 74 70.213 -7.727 5.246 557 HA ASN 74 HA ASN 74 70.530 -9.896 6.095 558 HB2 ASN 74 HB2 ASN 74 69.078 -10.458 4.217 559 HB3 ASN 74 HB1 ASN 74 70.456 -10.464 3.116 560 HD21 ASN 74 HD21 ASN 74 68.688 -12.367 5.435 561 HD22 ASN 74 HD22 ASN 74 69.682 -13.741 5.373 562 H HIS 75 HN HIS 75 72.290 -10.677 3.150 563 HA HIS 75 HA HIS 75 74.906 -10.273 4.424 564 HD1 HIS 75 HD1 HIS 75 75.770 -14.854 3.922 565 HD2 HIS 75 HD2 HIS 75 77.164 -10.958 4.451 566 HE1 HIS 75 HE1 HIS 75 78.297 -14.974 3.789 567 HE2 HIS 75 HE2 HIS 75 79.158 -12.609 4.110 568 HB2 HIS 75 HB2 HIS 75 74.213 -12.428 5.392 569 HB3 HIS 75 HB1 HIS 75 73.906 -13.064 3.776 570 H1U RCY 76 H1U RCY 76 77.817 -7.284 6.628 571 H1S RCY 76 H1S RCY 76 76.317 -8.676 3.164 572 HB1 RCY 76 HB1 RCY 76 76.647 -9.337 -0.847 573 HB2 RCY 76 HB2 RCY 76 76.881 -10.264 0.634 574 HA RCY 76 HA RCY 76 74.314 -8.873 -0.193 575 HN1 RCY 76 HN1 RCY 76 73.918 -9.107 2.117 576 H GLU 77 HN GLU 77 72.596 -10.497 -0.648 577 HA GLU 77 HA GLU 77 73.037 -13.272 -0.928 578 HB2 GLU 77 HB2 GLU 77 71.252 -11.431 -2.548 579 HB3 GLU 77 HB1 GLU 77 71.168 -13.192 -2.598 580 HG2 GLU 77 HG2 GLU 77 70.942 -11.641 -0.013 581 HG3 GLU 77 HG1 GLU 77 69.535 -12.035 -1.002 582 H LEU 78 HN LEU 78 74.037 -14.510 -2.485 583 HA LEU 78 HA LEU 78 75.284 -15.036 -4.397 584 HG LEU 78 HG LEU 78 74.085 -15.449 -6.244 585 HB2 LEU 78 HB2 LEU 78 73.343 -13.224 -5.281 586 HB3 LEU 78 HB1 LEU 78 74.854 -12.542 -5.876 587 HD11 LEU 78 HD11 LEU 78 73.709 -14.664 -8.661 588 HD12 LEU 78 HD12 LEU 78 73.639 -13.030 -8.001 589 HD13 LEU 78 HD13 LEU 78 72.459 -14.238 -7.492 590 HD21 LEU 78 HD21 LEU 78 76.082 -13.768 -7.774 591 HD22 LEU 78 HD22 LEU 78 75.930 -15.524 -7.759 592 HD23 LEU 78 HD23 LEU 78 76.530 -14.679 -6.332 593 H HIS 79 HN HIS 79 75.543 -11.471 -4.076 594 HA HIS 79 HA HIS 79 77.446 -10.114 -3.873 595 HD1 HIS 79 HD1 HIS 79 80.941 -11.903 -3.202 596 HD2 HIS 79 HD2 HIS 79 78.939 -8.889 -1.125 597 HE1 HIS 79 HE1 HIS 79 82.690 -10.180 -2.579 598 HE2 HIS 79 HE2 HIS 79 81.485 -8.340 -1.314 599 HB2 HIS 79 HB2 HIS 79 77.542 -11.283 -1.685 600 HB3 HIS 79 HB1 HIS 79 78.516 -12.554 -2.421 601 H GLU 80 HN GLU 80 77.410 -12.791 -5.806 602 HA GLU 80 HA GLU 80 80.269 -12.566 -6.599 603 HB2 GLU 80 HB2 GLU 80 78.928 -14.807 -6.300 604 HB3 GLU 80 HB1 GLU 80 78.311 -14.435 -7.910 605 HG2 GLU 80 HG2 GLU 80 80.773 -14.083 -8.581 606 HG3 GLU 80 HG1 GLU 80 81.172 -14.899 -7.069 607 H LEU 81 HN LEU 81 77.187 -11.377 -7.496 608 HA LEU 81 HA LEU 81 77.971 -10.944 -10.319 609 HG LEU 81 HG LEU 81 75.474 -11.524 -7.847 610 HB2 LEU 81 HB2 LEU 81 75.675 -9.613 -10.198 611 HB3 LEU 81 HB1 LEU 81 75.687 -11.373 -10.277 612 HD11 LEU 81 HD11 LEU 81 74.975 -9.252 -6.670 613 HD12 LEU 81 HD12 LEU 81 75.820 -8.538 -8.044 614 HD13 LEU 81 HD13 LEU 81 76.656 -9.680 -6.992 615 HD21 LEU 81 HD21 LEU 81 73.215 -10.761 -7.648 616 HD22 LEU 81 HD22 LEU 81 73.441 -11.143 -9.355 617 HD23 LEU 81 HD23 LEU 81 73.477 -9.465 -8.814 618 H ALA 82 HN ALA 82 78.512 -9.473 -7.377 619 HA ALA 82 HA ALA 82 78.194 -6.696 -8.066 620 HB1 ALA 82 HB1 ALA 82 79.847 -8.137 -5.984 621 HB2 ALA 82 HB2 ALA 82 78.358 -7.223 -5.746 622 HB3 ALA 82 HB3 ALA 82 79.855 -6.381 -6.142 623 H GLN 83 HN GLN 83 81.400 -7.802 -7.165 624 HA GLN 83 HA GLN 83 83.477 -7.384 -8.175 625 HB2 GLN 83 HB2 GLN 83 82.034 -7.685 -10.813 626 HB3 GLN 83 HB1 GLN 83 83.699 -8.108 -10.427 627 HG2 GLN 83 HG2 GLN 83 82.834 -9.837 -8.833 628 HG3 GLN 83 HG1 GLN 83 81.201 -9.476 -9.394 629 HE21 GLN 83 HE21 GLN 83 83.141 -11.919 -9.753 630 HE22 GLN 83 HE22 GLN 83 83.048 -12.233 -11.419 631 H TYR 84 HN TYR 84 81.558 -6.067 -10.844 632 HA TYR 84 HA TYR 84 82.475 -3.320 -10.077 633 HD1 TYR 84 HD1 TYR 84 83.964 -6.289 -11.958 634 HD2 TYR 84 HD2 TYR 84 80.981 -4.136 -14.175 635 HE1 TYR 84 HE1 TYR 84 83.526 -8.308 -13.330 636 HE2 TYR 84 HE2 TYR 84 80.543 -6.155 -15.546 637 HH TYR 84 HH TYR 84 82.181 -8.361 -16.144 638 HB2 TYR 84 HB2 TYR 84 82.435 -2.975 -12.677 639 HB3 TYR 84 HB1 TYR 84 83.828 -3.774 -11.949 640 H GLY 85 HN GLY 85 80.026 -4.407 -9.299 641 HA2 GLY 85 HA2 GLY 85 77.760 -4.300 -10.789 642 HA3 GLY 85 HA1 GLY 85 77.820 -3.547 -9.197 643 H ILE 86 HN ILE 86 77.038 -2.932 -12.334 644 HA ILE 86 HA ILE 86 78.065 -0.178 -12.475 645 HB ILE 86 HB ILE 86 77.764 -1.585 -14.531 646 HG12 ILE 86 HG12 ILE 86 76.048 0.916 -14.379 647 HG13 ILE 86 HG11 ILE 86 77.786 0.878 -14.680 648 HG21 ILE 86 HG21 ILE 86 74.809 -1.087 -14.273 649 HG22 ILE 86 HG22 ILE 86 75.528 -2.516 -13.530 650 HG23 ILE 86 HG23 ILE 86 75.651 -2.271 -15.272 651 HD11 ILE 86 HD11 ILE 86 77.289 -0.600 -16.689 652 HD12 ILE 86 HD12 ILE 86 76.733 1.068 -16.826 653 HD13 ILE 86 HD13 ILE 86 75.585 -0.215 -16.446 654 H1U RCY 87 H1U RCY 87 76.808 2.891 -4.247 655 H1S RCY 87 H1S RCY 87 75.793 2.151 -8.161 656 HB1 RCY 87 HB1 RCY 87 74.820 3.370 -9.551 657 HB2 RCY 87 HB2 RCY 87 75.436 3.967 -11.093 658 HA RCY 87 HA RCY 87 74.455 1.238 -10.366 659 HN1 RCY 87 HN1 RCY 87 76.925 1.623 -11.884 Start of MODEL 54 1 HA MET 1 HA MET 1 63.852 9.687 27.649 2 HB2 MET 1 HB2 MET 1 62.755 10.170 25.460 3 HB3 MET 1 HB1 MET 1 62.611 11.510 26.597 4 HG2 MET 1 HG2 MET 1 63.278 12.586 24.618 5 HG3 MET 1 HG1 MET 1 64.802 12.382 25.482 6 HE1 MET 1 HE1 MET 1 66.728 11.335 24.704 7 HE2 MET 1 HE2 MET 1 66.379 12.532 23.459 8 HE3 MET 1 HE3 MET 1 66.956 10.933 22.997 9 H ASN 2 HN ASN 2 63.718 8.632 25.056 10 HA ASN 2 HA ASN 2 66.512 8.139 24.201 11 HB2 ASN 2 HB2 ASN 2 66.205 5.683 24.343 12 HB3 ASN 2 HB1 ASN 2 66.111 6.439 25.934 13 HD21 ASN 2 HD21 ASN 2 63.901 5.518 23.227 14 HD22 ASN 2 HD22 ASN 2 62.627 5.039 24.241 15 H LEU 3 HN LEU 3 66.405 6.530 22.234 16 HA LEU 3 HA LEU 3 63.877 6.882 20.700 17 HG LEU 3 HG LEU 3 64.451 9.226 20.801 18 HB2 LEU 3 HB2 LEU 3 66.603 7.923 19.980 19 HB3 LEU 3 HB1 LEU 3 65.527 7.384 18.692 20 HD11 LEU 3 HD11 LEU 3 65.146 11.144 19.310 21 HD12 LEU 3 HD12 LEU 3 66.197 10.016 18.454 22 HD13 LEU 3 HD13 LEU 3 66.481 10.366 20.159 23 HD21 LEU 3 HD21 LEU 3 62.916 9.827 19.087 24 HD22 LEU 3 HD22 LEU 3 63.112 8.082 18.921 25 HD23 LEU 3 HD23 LEU 3 63.954 9.173 17.820 26 H GLU 4 HN GLU 4 63.529 4.627 20.875 27 HA GLU 4 HA GLU 4 65.620 2.742 20.073 28 HB2 GLU 4 HB2 GLU 4 62.827 2.587 21.103 29 HB3 GLU 4 HB1 GLU 4 63.367 1.230 20.116 30 HG2 GLU 4 HG2 GLU 4 63.842 0.859 22.523 31 HG3 GLU 4 HG1 GLU 4 65.324 0.925 21.568 32 HA PRO 5 HA PRO 5 64.957 2.511 15.729 33 HB2 PRO 5 HB2 PRO 5 64.490 -0.263 15.435 34 HB3 PRO 5 HB1 PRO 5 66.065 0.548 15.386 35 HG2 PRO 5 HG2 PRO 5 64.765 -0.921 17.598 36 HG3 PRO 5 HG1 PRO 5 66.482 -0.756 17.199 37 HD2 PRO 5 HD2 PRO 5 65.361 0.586 19.273 38 HD3 PRO 5 HD1 PRO 5 66.685 1.282 18.310 39 HA PRO 6 HA PRO 6 60.645 2.506 14.818 40 HB2 PRO 6 HB2 PRO 6 60.549 1.453 12.270 41 HB3 PRO 6 HB1 PRO 6 61.086 3.103 12.642 42 HG2 PRO 6 HG2 PRO 6 62.705 0.673 12.082 43 HG3 PRO 6 HG1 PRO 6 62.975 2.352 11.584 44 HD2 PRO 6 HD2 PRO 6 64.342 1.199 13.646 45 HD3 PRO 6 HD1 PRO 6 63.962 2.935 13.602 46 H LYS 7 HN LYS 7 58.736 1.136 14.432 47 HA LYS 7 HA LYS 7 59.265 -1.783 14.841 48 HB2 LYS 7 HB2 LYS 7 57.033 -0.126 16.051 49 HB3 LYS 7 HB1 LYS 7 57.280 -1.856 16.287 50 HG2 LYS 7 HG2 LYS 7 59.530 -1.354 17.259 51 HG3 LYS 7 HG1 LYS 7 59.160 0.366 17.135 52 HD2 LYS 7 HD2 LYS 7 57.006 -0.240 18.469 53 HD3 LYS 7 HD1 LYS 7 57.877 -1.714 18.895 54 HE2 LYS 7 HE2 LYS 7 59.816 -0.146 19.569 55 HE3 LYS 7 HE1 LYS 7 58.616 1.145 19.520 56 HZ1 LYS 7 HZ1 LYS 7 57.887 -1.276 20.968 57 HZ2 LYS 7 HZ2 LYS 7 57.545 0.350 21.323 58 HZ3 LYS 7 HZ3 LYS 7 59.075 -0.297 21.681 59 H ALA 8 HN ALA 8 56.109 -0.315 14.595 60 HA ALA 8 HA ALA 8 54.390 -0.692 13.040 61 HB1 ALA 8 HB1 ALA 8 55.983 0.838 11.774 62 HB2 ALA 8 HB2 ALA 8 54.941 -0.164 10.764 63 HB3 ALA 8 HB3 ALA 8 56.630 -0.612 11.004 64 H GLU 9 HN GLU 9 53.909 -2.179 10.966 65 HA GLU 9 HA GLU 9 54.649 -4.908 11.821 66 HB2 GLU 9 HB2 GLU 9 52.271 -4.116 11.182 67 HB3 GLU 9 HB1 GLU 9 52.833 -4.199 9.513 68 HG2 GLU 9 HG2 GLU 9 51.863 -6.329 9.945 69 HG3 GLU 9 HG1 GLU 9 53.605 -6.586 10.055 70 H1U RCY 10 H1U RCY 10 59.274 -11.420 3.400 71 H1S RCY 10 H1S RCY 10 56.944 -8.943 6.715 72 HB1 RCY 10 HB1 RCY 10 55.793 -7.279 8.439 73 HB2 RCY 10 HB2 RCY 10 57.189 -6.969 7.418 74 HA RCY 10 HA RCY 10 56.757 -4.767 7.718 75 HN1 RCY 10 HN1 RCY 10 53.964 -5.229 8.650 76 H ARG 11 HN ARG 11 53.703 -3.953 7.285 77 HA ARG 11 HA ARG 11 53.401 -4.422 4.406 78 HE ARG 11 HE ARG 11 52.796 -6.452 4.561 79 HB2 ARG 11 HB2 ARG 11 51.812 -3.108 6.573 80 HB3 ARG 11 HB1 ARG 11 51.509 -2.584 4.917 81 HG2 ARG 11 HG2 ARG 11 50.011 -4.442 5.507 82 HG3 ARG 11 HG1 ARG 11 51.141 -4.945 4.250 83 HD2 ARG 11 HD2 ARG 11 52.179 -5.370 6.959 84 HD3 ARG 11 HD1 ARG 11 50.705 -6.282 6.633 85 HH11 ARG 11 HH21 ARG 11 51.251 -7.751 7.356 86 HH12 ARG 11 HH22 ARG 11 51.825 -9.363 7.088 87 HH21 ARG 11 HH11 ARG 11 53.555 -8.549 4.195 88 HH22 ARG 11 HH12 ARG 11 53.130 -9.815 5.298 89 H SER 12 HN SER 12 54.701 -1.939 6.489 90 HA SER 12 HA SER 12 55.861 0.032 5.964 91 HG SER 12 HG SER 12 58.060 -0.003 4.363 92 HB2 SER 12 HB2 SER 12 56.736 -1.614 4.107 93 HB3 SER 12 HB1 SER 12 55.720 -0.651 3.038 94 H ALA 13 HN ALA 13 55.444 1.463 3.353 95 HA ALA 13 HA ALA 13 52.576 1.990 3.204 96 HB1 ALA 13 HB1 ALA 13 54.404 4.099 4.393 97 HB2 ALA 13 HB2 ALA 13 53.165 3.205 5.275 98 HB3 ALA 13 HB3 ALA 13 52.701 4.321 3.990 99 H THR 14 HN THR 14 55.413 1.717 1.717 100 HA THR 14 HA THR 14 54.539 3.424 -0.535 101 HB THR 14 HB THR 14 55.981 5.031 0.339 102 HG1 THR 14 HG1 THR 14 58.153 4.429 -0.705 103 HG21 THR 14 HG21 THR 14 57.645 2.704 1.326 104 HG22 THR 14 HG22 THR 14 56.730 3.857 2.297 105 HG23 THR 14 HG23 THR 14 58.174 4.383 1.430 106 H ARG 15 HN ARG 15 54.756 2.253 -2.377 107 HA ARG 15 HA ARG 15 56.064 -0.340 -2.328 108 HE ARG 15 HE ARG 15 50.754 -0.112 -3.279 109 HB2 ARG 15 HB2 ARG 15 54.748 1.303 -4.501 110 HB3 ARG 15 HB1 ARG 15 55.545 -0.228 -4.854 111 HG2 ARG 15 HG2 ARG 15 53.356 -0.936 -4.457 112 HG3 ARG 15 HG1 ARG 15 54.077 -1.124 -2.858 113 HD2 ARG 15 HD2 ARG 15 53.195 1.043 -2.162 114 HD3 ARG 15 HD1 ARG 15 52.559 1.334 -3.781 115 HH11 ARG 15 HH21 ARG 15 53.345 -0.395 -1.022 116 HH12 ARG 15 HH22 ARG 15 52.460 -1.406 0.070 117 HH21 ARG 15 HH11 ARG 15 49.583 -1.431 -1.866 118 HH22 ARG 15 HH12 ARG 15 50.330 -1.992 -0.407 119 H VAL 16 HN VAL 16 57.606 -0.820 -4.309 120 HA VAL 16 HA VAL 16 59.811 1.179 -4.137 121 HB VAL 16 HB VAL 16 60.386 -1.118 -3.496 122 HG11 VAL 16 HG11 VAL 16 59.578 -1.866 -6.322 123 HG12 VAL 16 HG12 VAL 16 58.610 -2.205 -4.887 124 HG13 VAL 16 HG13 VAL 16 60.193 -2.957 -5.081 125 HG21 VAL 16 HG21 VAL 16 62.348 -1.321 -4.813 126 HG22 VAL 16 HG22 VAL 16 61.956 0.396 -4.888 127 HG23 VAL 16 HG23 VAL 16 61.556 -0.659 -6.243 128 H MET 17 HN MET 17 57.338 0.222 -6.222 129 HA MET 17 HA MET 17 56.924 0.659 -8.491 130 HB2 MET 17 HB2 MET 17 57.660 2.962 -7.565 131 HB3 MET 17 HB1 MET 17 59.204 2.636 -8.353 132 HG2 MET 17 HG2 MET 17 57.975 3.815 -9.991 133 HG3 MET 17 HG1 MET 17 57.794 2.125 -10.463 134 HE1 MET 17 HE1 MET 17 56.569 4.940 -8.389 135 HE2 MET 17 HE2 MET 17 54.809 4.930 -8.479 136 HE3 MET 17 HE3 MET 17 55.756 5.383 -9.895 137 H GLY 18 HN GLY 18 58.716 -1.488 -7.891 138 HA2 GLY 18 HA2 GLY 18 60.489 -1.377 -10.299 139 HA3 GLY 18 HA1 GLY 18 61.020 -2.137 -8.798 140 H GLY 19 HN GLY 19 59.975 -2.927 -11.759 141 HA2 GLY 19 HA2 GLY 19 58.197 -5.153 -10.904 142 HA3 GLY 19 HA1 GLY 19 58.455 -4.633 -12.571 143 HA PRO 20 HA PRO 20 60.812 -8.556 -12.490 144 HB2 PRO 20 HB2 PRO 20 61.413 -7.439 -15.210 145 HB3 PRO 20 HB1 PRO 20 60.987 -9.099 -14.744 146 HG2 PRO 20 HG2 PRO 20 59.202 -7.479 -15.865 147 HG3 PRO 20 HG1 PRO 20 58.738 -8.612 -14.585 148 HD2 PRO 20 HD2 PRO 20 59.030 -5.648 -14.452 149 HD3 PRO 20 HD1 PRO 20 57.987 -6.724 -13.497 150 H1U RCY 21 H1U RCY 21 63.445 -8.440 -4.735 151 H1S RCY 21 H1S RCY 21 63.487 -7.778 -9.395 152 HB1 RCY 21 HB1 RCY 21 66.443 -8.881 -11.996 153 HB2 RCY 21 HB2 RCY 21 64.850 -9.455 -11.502 154 HA RCY 21 HA RCY 21 64.829 -6.631 -12.282 155 HN1 RCY 21 HN1 RCY 21 63.191 -9.015 -13.031 156 H THR 22 HN THR 22 65.697 -5.727 -14.088 157 HA THR 22 HA THR 22 66.747 -7.552 -16.219 158 HB THR 22 HB THR 22 65.175 -6.217 -17.312 159 HG1 THR 22 HG1 THR 22 66.883 -4.212 -17.733 160 HG21 THR 22 HG21 THR 22 65.018 -3.719 -16.791 161 HG22 THR 22 HG22 THR 22 66.041 -4.048 -15.393 162 HG23 THR 22 HG23 THR 22 64.457 -4.812 -15.525 163 HA PRO 23 HA PRO 23 70.584 -6.057 -14.161 164 HB2 PRO 23 HB2 PRO 23 71.646 -7.802 -16.350 165 HB3 PRO 23 HB1 PRO 23 72.111 -7.731 -14.639 166 HG2 PRO 23 HG2 PRO 23 70.594 -9.702 -15.581 167 HG3 PRO 23 HG1 PRO 23 70.325 -9.021 -13.967 168 HD2 PRO 23 HD2 PRO 23 68.713 -8.655 -16.455 169 HD3 PRO 23 HD1 PRO 23 68.188 -8.645 -14.757 170 H ARG 24 HN ARG 24 72.705 -5.181 -15.263 171 HA ARG 24 HA ARG 24 72.555 -4.177 -17.957 172 HE ARG 24 HE ARG 24 71.035 1.218 -18.525 173 HB2 ARG 24 HB2 ARG 24 70.811 -2.768 -16.724 174 HB3 ARG 24 HB1 ARG 24 72.149 -2.076 -15.812 175 HG2 ARG 24 HG2 ARG 24 72.839 -0.803 -17.565 176 HG3 ARG 24 HG1 ARG 24 72.599 -2.113 -18.721 177 HD2 ARG 24 HD2 ARG 24 70.357 -1.575 -19.072 178 HD3 ARG 24 HD1 ARG 24 70.206 -0.758 -17.516 179 HH11 ARG 24 HH21 ARG 24 71.518 -1.579 -20.482 180 HH12 ARG 24 HH22 ARG 24 72.037 -0.681 -21.870 181 HH21 ARG 24 HH11 ARG 24 71.710 2.406 -20.326 182 HH22 ARG 24 HH12 ARG 24 72.146 1.574 -21.781 183 H LYS 25 HN LYS 25 74.474 -5.498 -16.279 184 HA LYS 25 HA LYS 25 76.424 -3.955 -15.039 185 HB2 LYS 25 HB2 LYS 25 77.377 -6.039 -16.967 186 HB3 LYS 25 HB1 LYS 25 77.855 -5.759 -15.294 187 HG2 LYS 25 HG2 LYS 25 76.564 -7.654 -15.003 188 HG3 LYS 25 HG1 LYS 25 75.311 -6.423 -14.837 189 HD2 LYS 25 HD2 LYS 25 74.337 -7.834 -16.412 190 HD3 LYS 25 HD1 LYS 25 75.148 -6.669 -17.460 191 HE2 LYS 25 HE2 LYS 25 77.177 -8.308 -17.294 192 HE3 LYS 25 HE1 LYS 25 75.967 -9.483 -16.779 193 HZ1 LYS 25 HZ1 LYS 25 75.086 -8.010 -19.047 194 HZ2 LYS 25 HZ2 LYS 25 75.239 -9.690 -18.847 195 HZ3 LYS 25 HZ3 LYS 25 76.570 -8.768 -19.361 196 H GLY 26 HN GLY 26 77.082 -1.998 -15.831 197 HA2 GLY 26 HA2 GLY 26 77.871 -1.842 -18.709 198 HA3 GLY 26 HA1 GLY 26 77.439 -0.450 -17.713 199 HA PRO 27 HA PRO 27 82.215 -1.722 -18.004 200 HB2 PRO 27 HB2 PRO 27 82.067 1.076 -19.087 201 HB3 PRO 27 HB1 PRO 27 83.197 -0.230 -19.501 202 HG2 PRO 27 HG2 PRO 27 81.108 0.388 -21.056 203 HG3 PRO 27 HG1 PRO 27 81.696 -1.273 -20.881 204 HD2 PRO 27 HD2 PRO 27 79.191 -0.076 -19.875 205 HD3 PRO 27 HD1 PRO 27 79.603 -1.788 -20.114 206 HA PRO 28 HA PRO 28 82.598 0.030 -13.900 207 HB2 PRO 28 HB2 PRO 28 85.415 0.506 -14.811 208 HB3 PRO 28 HB1 PRO 28 84.828 -0.220 -13.302 209 HG2 PRO 28 HG2 PRO 28 85.782 -1.701 -15.322 210 HG3 PRO 28 HG1 PRO 28 84.479 -2.267 -14.265 211 HD2 PRO 28 HD2 PRO 28 84.348 -1.440 -17.103 212 HD3 PRO 28 HD1 PRO 28 83.221 -2.448 -16.170 213 H LYS 29 HN LYS 29 82.740 2.120 -12.949 214 HA LYS 29 HA LYS 29 83.188 4.372 -14.878 215 HB2 LYS 29 HB2 LYS 29 80.788 3.799 -13.819 216 HB3 LYS 29 HB1 LYS 29 81.434 4.752 -12.485 217 HG2 LYS 29 HG2 LYS 29 81.962 6.586 -14.070 218 HG3 LYS 29 HG1 LYS 29 81.258 5.638 -15.381 219 HD2 LYS 29 HD2 LYS 29 79.659 6.218 -12.897 220 HD3 LYS 29 HD1 LYS 29 79.763 7.412 -14.191 221 HE2 LYS 29 HE2 LYS 29 78.766 4.560 -14.440 222 HE3 LYS 29 HE1 LYS 29 77.799 6.029 -14.568 223 HZ1 LYS 29 HZ1 LYS 29 79.924 5.095 -16.410 224 HZ2 LYS 29 HZ2 LYS 29 79.279 6.666 -16.461 225 HZ3 LYS 29 HZ3 LYS 29 78.279 5.325 -16.755 226 H1U RCY 30 H1U RCY 30 81.377 10.036 -8.786 227 H1S RCY 30 H1S RCY 30 85.157 8.686 -9.845 228 HB1 RCY 30 HB1 RCY 30 85.032 5.666 -9.306 229 HB2 RCY 30 HB2 RCY 30 83.850 5.807 -10.607 230 HA RCY 30 HA RCY 30 86.313 4.404 -11.403 231 HN1 RCY 30 HN1 RCY 30 84.034 2.895 -11.913 232 H LYS 31 HN LYS 31 84.400 1.927 -10.821 233 HA LYS 31 HA LYS 31 85.020 1.555 -7.945 234 HB2 LYS 31 HB2 LYS 31 83.793 -0.646 -9.542 235 HB3 LYS 31 HB1 LYS 31 83.380 -0.062 -7.931 236 HG2 LYS 31 HG2 LYS 31 82.746 1.358 -10.536 237 HG3 LYS 31 HG1 LYS 31 81.589 0.476 -9.539 238 HD2 LYS 31 HD2 LYS 31 82.469 2.080 -7.635 239 HD3 LYS 31 HD1 LYS 31 82.947 3.096 -8.996 240 HE2 LYS 31 HE2 LYS 31 80.741 3.799 -8.445 241 HE3 LYS 31 HE1 LYS 31 80.555 2.778 -9.871 242 HZ1 LYS 31 HZ1 LYS 31 78.941 2.215 -8.166 243 HZ2 LYS 31 HZ2 LYS 31 80.190 1.904 -7.056 244 HZ3 LYS 31 HZ3 LYS 31 80.007 0.921 -8.430 245 H GLN 32 HN GLN 32 87.236 1.689 -9.779 246 HA GLN 32 HA GLN 32 88.129 -1.036 -10.331 247 HB2 GLN 32 HB2 GLN 32 88.767 1.162 -11.580 248 HB3 GLN 32 HB1 GLN 32 89.936 1.377 -10.278 249 HG2 GLN 32 HG2 GLN 32 91.147 0.198 -11.929 250 HG3 GLN 32 HG1 GLN 32 90.654 -1.059 -10.794 251 HE21 GLN 32 HE21 GLN 32 91.206 -1.885 -13.390 252 HE22 GLN 32 HE22 GLN 32 89.767 -2.270 -14.203 253 H ARG 33 HN ARG 33 87.542 -0.075 -7.467 254 HA ARG 33 HA ARG 33 89.638 -1.566 -6.197 255 HE ARG 33 HE ARG 33 89.335 4.433 -6.321 256 HB2 ARG 33 HB2 ARG 33 90.618 0.372 -4.891 257 HB3 ARG 33 HB1 ARG 33 91.067 0.325 -6.595 258 HG2 ARG 33 HG2 ARG 33 89.611 2.088 -7.157 259 HG3 ARG 33 HG1 ARG 33 88.659 1.891 -5.685 260 HD2 ARG 33 HD2 ARG 33 90.588 2.662 -4.342 261 HD3 ARG 33 HD1 ARG 33 91.522 2.884 -5.821 262 HH11 ARG 33 HH21 ARG 33 91.407 4.053 -3.592 263 HH12 ARG 33 HH22 ARG 33 91.219 5.688 -3.054 264 HH21 ARG 33 HH11 ARG 33 89.077 6.571 -5.634 265 HH22 ARG 33 HH12 ARG 33 89.899 7.114 -4.210 266 H GLN 34 HN GLN 34 89.274 -1.777 -3.906 267 HA GLN 34 HA GLN 34 86.674 -0.623 -2.965 268 HB2 GLN 34 HB2 GLN 34 86.589 -2.805 -1.566 269 HB3 GLN 34 HB1 GLN 34 86.205 -2.919 -3.284 270 HG2 GLN 34 HG2 GLN 34 88.410 -3.736 -3.803 271 HG3 GLN 34 HG1 GLN 34 88.979 -3.399 -2.168 272 HE21 GLN 34 HE21 GLN 34 86.969 -5.597 -4.099 273 HE22 GLN 34 HE22 GLN 34 86.813 -6.787 -2.898 274 H THR 35 HN THR 35 89.901 -1.770 -2.087 275 HA THR 35 HA THR 35 91.280 -1.228 -0.272 276 HB THR 35 HB THR 35 89.466 1.160 0.119 277 HG1 THR 35 HG1 THR 35 91.532 1.778 -1.370 278 HG21 THR 35 HG21 THR 35 92.458 0.855 0.463 279 HG22 THR 35 HG22 THR 35 91.302 0.643 1.777 280 HG23 THR 35 HG23 THR 35 91.454 2.209 0.982 281 H ARG 36 HN ARG 36 91.300 -2.064 1.766 282 HA ARG 36 HA ARG 36 88.797 -2.882 2.999 283 HE ARG 36 HE ARG 36 95.044 -3.190 3.933 284 HB2 ARG 36 HB2 ARG 36 90.276 -3.706 4.838 285 HB3 ARG 36 HB1 ARG 36 90.782 -4.284 3.251 286 HG2 ARG 36 HG2 ARG 36 92.375 -2.304 3.163 287 HG3 ARG 36 HG1 ARG 36 91.998 -2.031 4.865 288 HD2 ARG 36 HD2 ARG 36 92.752 -4.317 5.403 289 HD3 ARG 36 HD1 ARG 36 93.128 -4.595 3.703 290 HH11 ARG 36 HH21 ARG 36 92.987 -3.197 6.700 291 HH12 ARG 36 HH22 ARG 36 94.136 -2.398 7.721 292 HH21 ARG 36 HH11 ARG 36 96.556 -2.146 5.250 293 HH22 ARG 36 HH12 ARG 36 96.156 -1.802 6.900 294 H GLN 37 HN GLN 37 88.917 -0.063 2.650 295 HA GLN 37 HA GLN 37 89.713 1.302 5.053 296 HB2 GLN 37 HB2 GLN 37 89.168 2.285 2.715 297 HB3 GLN 37 HB1 GLN 37 87.485 2.225 3.238 298 HG2 GLN 37 HG2 GLN 37 88.234 4.403 3.835 299 HG3 GLN 37 HG1 GLN 37 88.260 3.482 5.340 300 HE21 GLN 37 HE21 GLN 37 90.214 3.521 6.468 301 HE22 GLN 37 HE22 GLN 37 91.712 3.954 5.798 302 H1U RCY 38 H1U RCY 38 82.660 5.666 5.046 303 H1S RCY 38 H1S RCY 38 83.900 1.345 4.216 304 HB1 RCY 38 HB1 RCY 38 85.513 2.433 6.229 305 HB2 RCY 38 HB2 RCY 38 84.687 2.129 7.756 306 HA RCY 38 HA RCY 38 86.801 1.637 8.484 307 HN1 RCY 38 HN1 RCY 38 88.468 1.888 6.860 308 H LYS 39 HN LYS 39 86.252 -0.071 9.791 309 HA LYS 39 HA LYS 39 85.601 -2.691 8.604 310 HB2 LYS 39 HB2 LYS 39 87.419 -3.630 10.333 311 HB3 LYS 39 HB1 LYS 39 87.852 -3.210 8.676 312 HG2 LYS 39 HG2 LYS 39 88.752 -1.109 9.329 313 HG3 LYS 39 HG1 LYS 39 87.997 -1.192 10.920 314 HD2 LYS 39 HD2 LYS 39 90.371 -1.714 11.132 315 HD3 LYS 39 HD1 LYS 39 89.426 -3.168 11.453 316 HE2 LYS 39 HE2 LYS 39 89.899 -4.071 9.296 317 HE3 LYS 39 HE1 LYS 39 90.525 -2.530 8.709 318 HZ1 LYS 39 HZ1 LYS 39 92.503 -3.358 9.273 319 HZ2 LYS 39 HZ2 LYS 39 91.834 -4.580 10.246 320 HZ3 LYS 39 HZ3 LYS 39 92.061 -3.018 10.875 321 H SER 40 HN SER 40 86.892 -2.219 11.852 322 HA SER 40 HA SER 40 84.777 -3.444 13.206 323 HG SER 40 HG SER 40 86.993 -0.886 13.099 324 HB2 SER 40 HB2 SER 40 85.493 -2.015 15.187 325 HB3 SER 40 HB1 SER 40 86.784 -2.933 14.417 326 H LYS 41 HN LYS 41 85.026 -0.081 14.094 327 HA LYS 41 HA LYS 41 82.115 0.209 13.585 328 HB2 LYS 41 HB2 LYS 41 82.214 2.099 15.093 329 HB3 LYS 41 HB1 LYS 41 83.112 0.775 15.836 330 HG2 LYS 41 HG2 LYS 41 85.198 1.788 14.727 331 HG3 LYS 41 HG1 LYS 41 84.209 3.220 14.440 332 HD2 LYS 41 HD2 LYS 41 83.642 3.073 16.968 333 HD3 LYS 41 HD1 LYS 41 85.047 2.013 17.072 334 HE2 LYS 41 HE2 LYS 41 84.922 4.928 16.379 335 HE3 LYS 41 HE1 LYS 41 86.034 4.085 17.457 336 HZ1 LYS 41 HZ1 LYS 41 86.574 2.915 15.117 337 HZ2 LYS 41 HZ2 LYS 41 87.422 4.255 15.725 338 HZ3 LYS 41 HZ3 LYS 41 86.176 4.478 14.593 339 HA PRO 42 HA PRO 42 82.928 2.767 10.047 340 HB2 PRO 42 HB2 PRO 42 80.610 4.211 9.941 341 HB3 PRO 42 HB1 PRO 42 80.697 2.494 9.500 342 HG2 PRO 42 HG2 PRO 42 79.746 3.743 12.031 343 HG3 PRO 42 HG1 PRO 42 79.082 2.370 11.129 344 HD2 PRO 42 HD2 PRO 42 80.636 2.069 13.368 345 HD3 PRO 42 HD1 PRO 42 80.567 0.861 12.065 346 HA PRO 43 HA PRO 43 84.369 6.647 11.717 347 HB2 PRO 43 HB2 PRO 43 84.906 8.014 9.440 348 HB3 PRO 43 HB1 PRO 43 85.863 6.604 9.937 349 HG2 PRO 43 HG2 PRO 43 83.694 6.782 7.905 350 HG3 PRO 43 HG1 PRO 43 85.223 5.889 7.849 351 HD2 PRO 43 HD2 PRO 43 82.792 4.729 8.466 352 HD3 PRO 43 HD1 PRO 43 84.361 4.085 8.998 353 H LYS 44 HN LYS 44 83.076 8.153 12.652 354 HA LYS 44 HA LYS 44 81.792 10.293 11.473 355 HB2 LYS 44 HB2 LYS 44 80.367 8.553 10.290 356 HB3 LYS 44 HB1 LYS 44 79.740 8.091 11.870 357 HG2 LYS 44 HG2 LYS 44 78.726 10.205 12.210 358 HG3 LYS 44 HG1 LYS 44 79.655 10.950 10.908 359 HD2 LYS 44 HD2 LYS 44 77.421 10.575 10.076 360 HD3 LYS 44 HD1 LYS 44 78.479 9.398 9.298 361 HE2 LYS 44 HE2 LYS 44 76.336 8.404 10.155 362 HE3 LYS 44 HE1 LYS 44 77.781 7.663 10.842 363 HZ1 LYS 44 HZ1 LYS 44 77.077 8.221 12.848 364 HZ2 LYS 44 HZ2 LYS 44 75.681 8.929 12.185 365 HZ3 LYS 44 HZ3 LYS 44 77.081 9.863 12.421 366 H LYS 45 HN LYS 45 80.677 7.775 13.763 367 HA LYS 45 HA LYS 45 81.205 9.556 16.033 368 HB2 LYS 45 HB2 LYS 45 78.784 9.282 16.840 369 HB3 LYS 45 HB1 LYS 45 79.046 10.430 15.528 370 HG2 LYS 45 HG2 LYS 45 78.398 8.714 13.883 371 HG3 LYS 45 HG1 LYS 45 78.146 7.554 15.188 372 HD2 LYS 45 HD2 LYS 45 75.999 8.527 14.536 373 HD3 LYS 45 HD1 LYS 45 76.424 9.068 16.161 374 HE2 LYS 45 HE2 LYS 45 76.693 11.236 15.508 375 HE3 LYS 45 HE1 LYS 45 77.424 10.784 13.968 376 HZ1 LYS 45 HZ1 LYS 45 74.759 9.939 13.957 377 HZ2 LYS 45 HZ2 LYS 45 75.489 11.128 12.987 378 HZ3 LYS 45 HZ3 LYS 45 74.781 11.556 14.471 379 H GLY 46 HN GLY 46 79.808 6.521 14.825 380 HA2 GLY 46 HA2 GLY 46 81.126 4.547 15.909 381 HA3 GLY 46 HA1 GLY 46 80.513 5.222 17.419 382 H VAL 47 HN VAL 47 77.964 5.714 17.144 383 HA VAL 47 HA VAL 47 76.655 3.214 17.086 384 HB VAL 47 HB VAL 47 74.551 4.711 16.684 385 HG11 VAL 47 HG11 VAL 47 76.429 5.094 19.035 386 HG12 VAL 47 HG12 VAL 47 75.164 3.874 18.884 387 HG13 VAL 47 HG13 VAL 47 74.732 5.577 19.030 388 HG21 VAL 47 HG21 VAL 47 76.537 6.881 17.375 389 HG22 VAL 47 HG22 VAL 47 74.858 7.059 16.864 390 HG23 VAL 47 HG23 VAL 47 76.083 6.544 15.705 391 H GLN 48 HN GLN 48 74.999 5.303 14.934 392 HA GLN 48 HA GLN 48 76.014 3.905 12.524 393 HB2 GLN 48 HB2 GLN 48 73.150 3.765 13.506 394 HB3 GLN 48 HB1 GLN 48 73.644 3.336 11.868 395 HG2 GLN 48 HG2 GLN 48 75.250 1.678 12.843 396 HG3 GLN 48 HG1 GLN 48 74.593 2.040 14.439 397 HE21 GLN 48 HE21 GLN 48 74.315 -0.182 11.992 398 HE22 GLN 48 HE22 GLN 48 72.706 -0.667 12.228 399 H GLY 49 HN GLY 49 73.011 5.724 13.161 400 HA2 GLY 49 HA2 GLY 49 72.336 7.840 12.381 401 HA3 GLY 49 HA1 GLY 49 74.031 8.194 12.044 402 H1U RCY 50 H1U RCY 50 77.155 6.704 2.199 403 H1S RCY 50 H1S RCY 50 73.487 6.043 4.126 404 HB1 RCY 50 HB1 RCY 50 73.675 5.591 8.564 405 HB2 RCY 50 HB2 RCY 50 74.957 6.153 7.493 406 HA RCY 50 HA RCY 50 74.263 8.356 7.590 407 HN1 RCY 50 HN1 RCY 50 74.467 8.472 9.923 408 H GLY 51 HN GLY 51 71.483 6.298 8.448 409 HA2 GLY 51 HA2 GLY 51 69.746 7.615 6.585 410 HA3 GLY 51 HA1 GLY 51 69.227 6.495 7.843 411 H ASP 52 HN ASP 52 70.773 9.732 7.982 412 HA ASP 52 HA ASP 52 68.835 10.485 10.083 413 HB2 ASP 52 HB2 ASP 52 70.232 12.407 10.455 414 HB3 ASP 52 HB1 ASP 52 71.311 11.030 10.234 415 H ASP 53 HN ASP 53 68.226 10.144 7.105 416 HA ASP 53 HA ASP 53 66.669 11.124 5.660 417 HB2 ASP 53 HB2 ASP 53 65.078 12.340 6.702 418 HB3 ASP 53 HB1 ASP 53 66.079 12.290 8.149 419 H ILE 54 HN ILE 54 69.690 12.116 6.210 420 HA ILE 54 HA ILE 54 69.712 14.689 4.872 421 HB ILE 54 HB ILE 54 71.661 12.871 6.078 422 HG12 ILE 54 HG12 ILE 54 71.974 15.788 5.331 423 HG13 ILE 54 HG11 ILE 54 71.009 15.266 6.713 424 HG21 ILE 54 HG21 ILE 54 73.565 13.592 4.609 425 HG22 ILE 54 HG22 ILE 54 72.384 14.233 3.467 426 HG23 ILE 54 HG23 ILE 54 72.434 12.503 3.804 427 HD11 ILE 54 HD11 ILE 54 73.273 15.807 7.461 428 HD12 ILE 54 HD12 ILE 54 73.956 14.702 6.268 429 HD13 ILE 54 HD13 ILE 54 73.003 14.070 7.610 430 HA PRO 55 HA PRO 55 69.276 13.153 0.728 431 HB2 PRO 55 HB2 PRO 55 70.430 15.226 -0.655 432 HB3 PRO 55 HB1 PRO 55 68.811 15.312 0.067 433 HG2 PRO 55 HG2 PRO 55 71.391 16.386 1.091 434 HG3 PRO 55 HG1 PRO 55 69.772 17.104 1.131 435 HD2 PRO 55 HD2 PRO 55 70.901 15.890 3.306 436 HD3 PRO 55 HD1 PRO 55 69.146 15.923 3.025 437 H GLY 56 HN GLY 56 70.947 11.434 1.280 438 HA2 GLY 56 HA2 GLY 56 72.938 11.222 -0.701 439 HA3 GLY 56 HA1 GLY 56 73.737 11.847 0.743 440 H MET 57 HN MET 57 71.098 10.015 1.671 441 HA MET 57 HA MET 57 72.686 7.486 1.804 442 HB2 MET 57 HB2 MET 57 71.094 8.619 4.121 443 HB3 MET 57 HB1 MET 57 72.137 7.197 4.136 444 HG2 MET 57 HG2 MET 57 73.066 10.037 3.616 445 HG3 MET 57 HG1 MET 57 73.269 9.162 5.134 446 HE1 MET 57 HE1 MET 57 76.875 8.845 4.282 447 HE2 MET 57 HE2 MET 57 75.615 9.123 5.481 448 HE3 MET 57 HE3 MET 57 75.841 10.274 4.167 449 H GLU 58 HN GLU 58 69.517 9.063 2.089 450 HA GLU 58 HA GLU 58 68.277 6.515 1.125 451 HB2 GLU 58 HB2 GLU 58 67.905 7.192 3.638 452 HB3 GLU 58 HB1 GLU 58 66.796 8.385 2.963 453 HG2 GLU 58 HG2 GLU 58 65.438 6.484 3.368 454 HG3 GLU 58 HG1 GLU 58 65.776 6.420 1.638 455 H GLY 59 HN GLY 59 69.034 8.375 -0.694 456 HA2 GLY 59 HA2 GLY 59 66.952 8.923 -2.340 457 HA3 GLY 59 HA1 GLY 59 66.828 10.261 -1.196 458 H1U RCY 60 H1U RCY 60 75.928 4.676 -3.249 459 H1S RCY 60 H1S RCY 60 74.200 8.104 -5.396 460 HB1 RCY 60 HB1 RCY 60 71.644 8.347 -3.934 461 HB2 RCY 60 HB2 RCY 60 72.343 9.169 -2.540 462 HA RCY 60 HA RCY 60 71.045 11.161 -2.979 463 HN1 RCY 60 HN1 RCY 60 69.679 8.638 -2.583 464 H GLY 61 HN GLY 61 71.297 9.042 -5.682 465 HA2 GLY 61 HA2 GLY 61 69.661 10.934 -7.330 466 HA3 GLY 61 HA1 GLY 61 71.227 10.335 -7.880 467 H THR 62 HN THR 62 71.404 7.930 -8.132 468 HA THR 62 HA THR 62 68.822 6.520 -8.484 469 HB THR 62 HB THR 62 69.276 7.649 -10.656 470 HG1 THR 62 HG1 THR 62 69.038 5.785 -11.863 471 HG21 THR 62 HG21 THR 62 71.241 7.197 -11.917 472 HG22 THR 62 HG22 THR 62 71.718 5.881 -10.844 473 HG23 THR 62 HG23 THR 62 71.810 7.552 -10.286 474 H ASP 63 HN ASP 63 72.152 6.555 -7.777 475 HA ASP 63 HA ASP 63 72.752 3.774 -8.288 476 HB2 ASP 63 HB2 ASP 63 74.433 5.662 -7.898 477 HB3 ASP 63 HB1 ASP 63 74.046 5.522 -6.182 478 H ILE 64 HN ILE 64 70.380 3.437 -7.254 479 HA ILE 64 HA ILE 64 70.867 2.129 -4.673 480 HB ILE 64 HB ILE 64 68.803 4.345 -4.953 481 HG12 ILE 64 HG12 ILE 64 71.327 4.049 -3.300 482 HG13 ILE 64 HG11 ILE 64 70.998 5.265 -4.535 483 HG21 ILE 64 HG21 ILE 64 68.244 3.809 -2.609 484 HG22 ILE 64 HG22 ILE 64 69.391 2.470 -2.641 485 HG23 ILE 64 HG23 ILE 64 67.952 2.423 -3.659 486 HD11 ILE 64 HD11 ILE 64 70.622 6.355 -2.444 487 HD12 ILE 64 HD12 ILE 64 69.704 4.987 -1.816 488 HD13 ILE 64 HD13 ILE 64 69.021 5.997 -3.090 489 H THR 65 HN THR 65 69.000 2.748 -7.521 490 HA THR 65 HA THR 65 67.548 0.177 -7.078 491 HB THR 65 HB THR 65 66.331 2.752 -8.128 492 HG1 THR 65 HG1 THR 65 65.571 2.947 -6.189 493 HG21 THR 65 HG21 THR 65 64.229 1.349 -8.144 494 HG22 THR 65 HG22 THR 65 65.251 -0.067 -7.897 495 HG23 THR 65 HG23 THR 65 65.420 0.898 -9.364 496 H VAL 66 HN VAL 66 68.478 2.703 -9.419 497 HA VAL 66 HA VAL 66 68.151 0.880 -11.682 498 HB VAL 66 HB VAL 66 69.668 3.494 -11.705 499 HG11 VAL 66 HG11 VAL 66 68.850 3.565 -14.023 500 HG12 VAL 66 HG12 VAL 66 67.970 2.057 -13.769 501 HG13 VAL 66 HG13 VAL 66 69.733 2.067 -13.730 502 HG21 VAL 66 HG21 VAL 66 66.670 3.041 -11.845 503 HG22 VAL 66 HG22 VAL 66 67.472 4.565 -12.224 504 HG23 VAL 66 HG23 VAL 66 67.535 3.920 -10.584 505 H ILE 67 HN ILE 67 70.909 2.315 -9.918 506 HA ILE 67 HA ILE 67 72.622 0.153 -11.091 507 HB ILE 67 HB ILE 67 73.605 2.912 -10.339 508 HG12 ILE 67 HG12 ILE 67 72.770 1.856 -13.060 509 HG13 ILE 67 HG11 ILE 67 71.947 3.122 -12.149 510 HG21 ILE 67 HG21 ILE 67 75.195 0.937 -10.476 511 HG22 ILE 67 HG22 ILE 67 75.572 2.272 -11.565 512 HG23 ILE 67 HG23 ILE 67 74.784 0.822 -12.187 513 HD11 ILE 67 HD11 ILE 67 74.116 4.425 -12.182 514 HD12 ILE 67 HD12 ILE 67 73.364 4.216 -13.763 515 HD13 ILE 67 HD13 ILE 67 74.745 3.219 -13.305 516 H1U RCY 68 H1U RCY 68 70.008 -0.283 0.312 517 H1S RCY 68 H1S RCY 68 69.813 -1.693 -4.342 518 HB1 RCY 68 HB1 RCY 68 72.363 -2.346 -5.883 519 HB2 RCY 68 HB2 RCY 68 71.372 -2.051 -7.309 520 HA RCY 68 HA RCY 68 73.508 -0.056 -6.700 521 HN1 RCY 68 HN1 RCY 68 72.380 -1.164 -9.241 522 HA PRO 69 HA PRO 69 77.191 -2.445 -6.550 523 HB2 PRO 69 HB2 PRO 69 75.715 -4.224 -4.625 524 HB3 PRO 69 HB1 PRO 69 77.380 -3.612 -4.534 525 HG2 PRO 69 HG2 PRO 69 75.342 -2.479 -3.187 526 HG3 PRO 69 HG1 PRO 69 76.720 -1.550 -3.797 527 HD2 PRO 69 HD2 PRO 69 73.928 -1.469 -4.681 528 HD3 PRO 69 HD1 PRO 69 75.259 -0.364 -5.087 529 H TRP 70 HN TRP 70 74.173 -4.329 -6.856 530 HA TRP 70 HA TRP 70 75.596 -6.581 -8.075 531 HD1 TRP 70 HD1 TRP 70 72.023 -4.995 -9.604 532 HE1 TRP 70 HE1 TRP 70 70.206 -3.560 -8.473 533 HE3 TRP 70 HE3 TRP 70 72.609 -6.492 -4.758 534 HZ2 TRP 70 HZ2 TRP 70 69.140 -3.106 -5.854 535 HZ3 TRP 70 HZ3 TRP 70 71.185 -5.545 -2.969 536 HH2 TRP 70 HH2 TRP 70 69.452 -3.856 -3.507 537 HB2 TRP 70 HB2 TRP 70 73.207 -7.363 -8.593 538 HB3 TRP 70 HB1 TRP 70 73.652 -7.233 -6.894 539 H GLU 71 HN GLU 71 75.745 -3.855 -9.304 540 HA GLU 71 HA GLU 71 75.073 -4.720 -12.067 541 HB2 GLU 71 HB2 GLU 71 73.999 -2.295 -10.648 542 HB3 GLU 71 HB1 GLU 71 74.339 -2.189 -12.373 543 HG2 GLU 71 HG2 GLU 71 72.919 -4.649 -11.713 544 HG3 GLU 71 HG1 GLU 71 72.011 -3.221 -11.214 545 H ALA 72 HN ALA 72 76.210 -1.710 -10.494 546 HA ALA 72 HA ALA 72 78.315 -1.403 -12.483 547 HB1 ALA 72 HB1 ALA 72 77.303 0.592 -11.574 548 HB2 ALA 72 HB2 ALA 72 78.982 0.548 -11.036 549 HB3 ALA 72 HB3 ALA 72 77.688 0.095 -9.927 550 H1U RCY 73 H1U RCY 73 81.903 -1.403 -0.648 551 H1S RCY 73 H1S RCY 73 80.049 -2.917 -4.679 552 HB1 RCY 73 HB1 RCY 73 79.399 -3.404 -6.773 553 HB2 RCY 73 HB2 RCY 73 79.669 -1.671 -6.952 554 HA RCY 73 HA RCY 73 81.248 -2.378 -8.914 555 HN1 RCY 73 HN1 RCY 73 78.408 -1.869 -8.917 556 H ASN 74 HN ASN 74 79.471 -4.060 -10.711 557 HA ASN 74 HA ASN 74 79.144 -6.334 -11.262 558 HB2 ASN 74 HB2 ASN 74 81.270 -7.549 -11.384 559 HB3 ASN 74 HB1 ASN 74 81.496 -5.876 -11.896 560 HD21 ASN 74 HD21 ASN 74 82.725 -4.451 -10.489 561 HD22 ASN 74 HD22 ASN 74 83.621 -5.046 -9.176 562 H HIS 75 HN HIS 75 77.909 -6.056 -8.902 563 HA HIS 75 HA HIS 75 77.407 -7.071 -6.828 564 HD1 HIS 75 HD1 HIS 75 77.498 -8.464 -10.672 565 HD2 HIS 75 HD2 HIS 75 79.640 -10.996 -8.142 566 HE1 HIS 75 HE1 HIS 75 79.102 -9.757 -12.145 567 HE2 HIS 75 HE2 HIS 75 80.412 -11.302 -10.618 568 HB2 HIS 75 HB2 HIS 75 77.417 -9.621 -7.076 569 HB3 HIS 75 HB1 HIS 75 76.465 -8.725 -8.259 570 H1U RCY 76 H1U RCY 76 80.205 -1.459 -1.819 571 H1S RCY 76 H1S RCY 76 79.360 -5.828 -1.986 572 HB1 RCY 76 HB1 RCY 76 81.385 -8.302 -3.136 573 HB2 RCY 76 HB2 RCY 76 79.696 -8.702 -2.827 574 HA RCY 76 HA RCY 76 81.297 -9.083 -5.350 575 HN1 RCY 76 HN1 RCY 76 78.357 -9.299 -5.539 576 H GLU 77 HN GLU 77 79.941 -11.290 -6.229 577 HA GLU 77 HA GLU 77 78.976 -13.147 -4.360 578 HB2 GLU 77 HB2 GLU 77 80.641 -13.581 -6.853 579 HB3 GLU 77 HB1 GLU 77 79.906 -14.899 -5.941 580 HG2 GLU 77 HG2 GLU 77 77.696 -14.081 -6.359 581 HG3 GLU 77 HG1 GLU 77 78.310 -12.549 -6.982 582 H LEU 78 HN LEU 78 82.041 -11.734 -4.433 583 HA LEU 78 HA LEU 78 83.836 -13.734 -3.673 584 HG LEU 78 HG LEU 78 85.514 -10.547 -4.155 585 HB2 LEU 78 HB2 LEU 78 83.534 -10.864 -2.795 586 HB3 LEU 78 HB1 LEU 78 84.814 -11.875 -2.129 587 HD11 LEU 78 HD11 LEU 78 86.298 -12.987 -3.396 588 HD12 LEU 78 HD12 LEU 78 86.908 -12.243 -4.874 589 HD13 LEU 78 HD13 LEU 78 85.602 -13.425 -4.957 590 HD21 LEU 78 HD21 LEU 78 83.241 -10.838 -5.273 591 HD22 LEU 78 HD22 LEU 78 83.738 -12.485 -5.659 592 HD23 LEU 78 HD23 LEU 78 84.636 -11.117 -6.315 593 H HIS 79 HN HIS 79 84.664 -14.049 -1.315 594 HA HIS 79 HA HIS 79 82.565 -13.911 0.743 595 HD1 HIS 79 HD1 HIS 79 80.674 -14.852 1.561 596 HD2 HIS 79 HD2 HIS 79 81.040 -17.080 -1.947 597 HE1 HIS 79 HE1 HIS 79 78.329 -15.139 0.648 598 HE2 HIS 79 HE2 HIS 79 78.538 -16.493 -1.488 599 HB2 HIS 79 HB2 HIS 79 83.377 -16.452 -0.626 600 HB3 HIS 79 HB1 HIS 79 83.044 -16.508 1.104 601 H GLU 80 HN GLU 80 85.798 -14.081 -0.249 602 HA GLU 80 HA GLU 80 87.000 -15.082 2.180 603 HB2 GLU 80 HB2 GLU 80 88.178 -13.196 0.115 604 HB3 GLU 80 HB1 GLU 80 89.081 -14.160 1.284 605 HG2 GLU 80 HG2 GLU 80 87.971 -16.212 0.243 606 HG3 GLU 80 HG1 GLU 80 87.441 -15.145 -1.058 607 H LEU 81 HN LEU 81 87.068 -11.734 0.911 608 HA LEU 81 HA LEU 81 87.578 -10.657 3.558 609 HG LEU 81 HG LEU 81 86.068 -10.226 0.403 610 HB2 LEU 81 HB2 LEU 81 87.285 -8.450 2.426 611 HB3 LEU 81 HB1 LEU 81 88.433 -9.497 1.594 612 HD11 LEU 81 HD11 LEU 81 85.007 -8.293 1.698 613 HD12 LEU 81 HD12 LEU 81 84.757 -8.280 -0.048 614 HD13 LEU 81 HD13 LEU 81 85.961 -7.215 0.678 615 HD21 LEU 81 HD21 LEU 81 88.184 -9.723 -0.743 616 HD22 LEU 81 HD22 LEU 81 87.970 -8.004 -0.411 617 HD23 LEU 81 HD23 LEU 81 86.860 -8.836 -1.500 618 H ALA 82 HN ALA 82 84.736 -10.974 1.468 619 HA ALA 82 HA ALA 82 82.975 -9.402 3.121 620 HB1 ALA 82 HB1 ALA 82 81.186 -10.822 1.886 621 HB2 ALA 82 HB2 ALA 82 82.548 -11.496 0.991 622 HB3 ALA 82 HB3 ALA 82 82.212 -9.767 0.915 623 H GLN 83 HN GLN 83 84.042 -10.585 5.129 624 HA GLN 83 HA GLN 83 82.010 -12.470 6.107 625 HB2 GLN 83 HB2 GLN 83 83.931 -13.774 4.912 626 HB3 GLN 83 HB1 GLN 83 84.892 -13.333 6.323 627 HG2 GLN 83 HG2 GLN 83 83.975 -15.419 6.926 628 HG3 GLN 83 HG1 GLN 83 82.895 -14.262 7.704 629 HE21 GLN 83 HE21 GLN 83 81.863 -13.599 4.828 630 HE22 GLN 83 HE22 GLN 83 80.759 -14.850 4.517 631 H TYR 84 HN TYR 84 83.174 -9.744 6.689 632 HA TYR 84 HA TYR 84 84.236 -10.196 9.441 633 HD1 TYR 84 HD2 TYR 84 86.159 -8.630 10.652 634 HD2 TYR 84 HD1 TYR 84 86.241 -8.898 6.365 635 HE1 TYR 84 HE2 TYR 84 88.548 -9.293 10.739 636 HE2 TYR 84 HE1 TYR 84 88.629 -9.561 6.452 637 HH TYR 84 HH TYR 84 90.152 -10.577 9.257 638 HB2 TYR 84 HB2 TYR 84 84.356 -7.951 7.463 639 HB3 TYR 84 HB1 TYR 84 84.409 -7.540 9.175 640 H GLY 85 HN GLY 85 81.712 -8.404 7.685 641 HA2 GLY 85 HA2 GLY 85 79.789 -8.796 9.806 642 HA3 GLY 85 HA1 GLY 85 80.408 -7.142 9.804 643 H ILE 86 HN ILE 86 80.733 -6.700 7.073 644 HA ILE 86 HA ILE 86 78.124 -5.967 6.260 645 HB ILE 86 HB ILE 86 79.407 -6.137 3.850 646 HG12 ILE 86 HG12 ILE 86 81.808 -5.591 4.303 647 HG13 ILE 86 HG11 ILE 86 81.538 -5.967 6.005 648 HG21 ILE 86 HG21 ILE 86 78.494 -4.101 4.941 649 HG22 ILE 86 HG22 ILE 86 80.084 -3.810 4.237 650 HG23 ILE 86 HG23 ILE 86 79.919 -4.035 5.978 651 HD11 ILE 86 HD11 ILE 86 82.489 -7.911 4.828 652 HD12 ILE 86 HD12 ILE 86 81.143 -7.886 3.689 653 HD13 ILE 86 HD13 ILE 86 80.854 -8.260 5.388 654 H1U RCY 87 H1U RCY 87 78.039 -4.304 -2.046 655 H1S RCY 87 H1S RCY 87 76.497 -6.725 1.387 656 HB1 RCY 87 HB1 RCY 87 78.681 -10.588 1.749 657 HB2 RCY 87 HB2 RCY 87 79.391 -8.979 1.869 658 HA RCY 87 HA RCY 87 77.111 -9.542 3.692 659 HN1 RCY 87 HN1 RCY 87 79.442 -7.789 3.679 Start of MODEL 55 1 HA MET 1 HA MET 1 60.388 12.051 14.881 2 HB2 MET 1 HB2 MET 1 60.189 11.415 17.842 3 HB3 MET 1 HB1 MET 1 59.826 10.299 16.525 4 HG2 MET 1 HG2 MET 1 62.135 10.421 15.736 5 HG3 MET 1 HG1 MET 1 62.518 11.621 16.970 6 HE1 MET 1 HE1 MET 1 64.463 10.118 17.255 7 HE2 MET 1 HE2 MET 1 64.032 8.561 16.552 8 HE3 MET 1 HE3 MET 1 64.505 8.655 18.247 9 H ASN 2 HN ASN 2 58.637 13.340 14.109 10 HA ASN 2 HA ASN 2 56.466 14.129 15.886 11 HB2 ASN 2 HB2 ASN 2 55.303 14.640 13.670 12 HB3 ASN 2 HB1 ASN 2 56.811 15.507 13.960 13 HD21 ASN 2 HD21 ASN 2 55.254 14.041 11.496 14 HD22 ASN 2 HD22 ASN 2 56.568 13.402 10.631 15 H LEU 3 HN LEU 3 55.212 12.811 13.026 16 HA LEU 3 HA LEU 3 54.749 10.115 14.080 17 HG LEU 3 HG LEU 3 52.929 9.354 15.337 18 HB2 LEU 3 HB2 LEU 3 53.072 11.824 15.174 19 HB3 LEU 3 HB1 LEU 3 52.271 11.756 13.605 20 HD11 LEU 3 HD11 LEU 3 50.586 9.246 15.832 21 HD12 LEU 3 HD12 LEU 3 50.214 10.507 14.657 22 HD13 LEU 3 HD13 LEU 3 51.079 10.910 16.140 23 HD21 LEU 3 HD21 LEU 3 51.687 9.714 12.614 24 HD22 LEU 3 HD22 LEU 3 51.267 8.321 13.611 25 HD23 LEU 3 HD23 LEU 3 52.940 8.577 13.114 26 H GLU 4 HN GLU 4 55.348 9.163 12.157 27 HA GLU 4 HA GLU 4 54.317 10.239 9.605 28 HB2 GLU 4 HB2 GLU 4 56.404 8.262 10.425 29 HB3 GLU 4 HB1 GLU 4 55.666 8.043 8.839 30 HG2 GLU 4 HG2 GLU 4 57.704 9.477 8.747 31 HG3 GLU 4 HG1 GLU 4 56.257 10.330 8.209 32 HA PRO 5 HA PRO 5 50.788 7.692 8.913 33 HB2 PRO 5 HB2 PRO 5 52.387 6.410 6.715 34 HB3 PRO 5 HB1 PRO 5 50.725 7.029 6.678 35 HG2 PRO 5 HG2 PRO 5 52.789 8.403 5.659 36 HG3 PRO 5 HG1 PRO 5 51.392 9.196 6.403 37 HD2 PRO 5 HD2 PRO 5 54.163 9.011 7.396 38 HD3 PRO 5 HD1 PRO 5 52.866 10.124 7.882 39 HA PRO 6 HA PRO 6 51.614 3.856 10.985 40 HB2 PRO 6 HB2 PRO 6 49.527 2.301 10.080 41 HB3 PRO 6 HB1 PRO 6 49.355 3.568 11.309 42 HG2 PRO 6 HG2 PRO 6 48.711 3.653 8.407 43 HG3 PRO 6 HG1 PRO 6 47.846 4.364 9.780 44 HD2 PRO 6 HD2 PRO 6 49.452 5.836 8.129 45 HD3 PRO 6 HD1 PRO 6 49.208 6.239 9.843 46 H LYS 7 HN LYS 7 52.092 1.506 10.579 47 HA LYS 7 HA LYS 7 52.673 0.845 7.736 48 HB2 LYS 7 HB2 LYS 7 54.949 -0.047 8.601 49 HB3 LYS 7 HB1 LYS 7 54.790 1.693 8.360 50 HG2 LYS 7 HG2 LYS 7 54.624 2.130 10.658 51 HG3 LYS 7 HG1 LYS 7 54.133 0.477 11.033 52 HD2 LYS 7 HD2 LYS 7 56.400 -0.319 10.405 53 HD3 LYS 7 HD1 LYS 7 56.885 1.351 10.106 54 HE2 LYS 7 HE2 LYS 7 56.748 1.932 12.376 55 HE3 LYS 7 HE1 LYS 7 55.699 0.567 12.759 56 HZ1 LYS 7 HZ1 LYS 7 57.633 -0.287 13.503 57 HZ2 LYS 7 HZ2 LYS 7 58.594 0.666 12.475 58 HZ3 LYS 7 HZ3 LYS 7 57.826 -0.725 11.875 59 H ALA 8 HN ALA 8 50.892 -0.668 8.065 60 HA ALA 8 HA ALA 8 51.826 -3.198 9.273 61 HB1 ALA 8 HB1 ALA 8 49.319 -1.747 10.159 62 HB2 ALA 8 HB2 ALA 8 50.684 -2.235 11.164 63 HB3 ALA 8 HB3 ALA 8 49.612 -3.456 10.477 64 H GLU 9 HN GLU 9 51.723 -3.067 6.675 65 HA GLU 9 HA GLU 9 49.689 -4.901 5.866 66 HB2 GLU 9 HB2 GLU 9 48.544 -3.275 4.229 67 HB3 GLU 9 HB1 GLU 9 48.086 -3.148 5.927 68 HG2 GLU 9 HG2 GLU 9 49.618 -1.276 6.243 69 HG3 GLU 9 HG1 GLU 9 50.200 -1.438 4.586 70 H1U RCY 10 H1U RCY 10 58.378 -0.408 8.122 71 H1S RCY 10 H1S RCY 10 56.846 -4.805 6.809 72 HB1 RCY 10 HB1 RCY 10 54.720 -2.667 4.449 73 HB2 RCY 10 HB2 RCY 10 55.402 -3.790 3.272 74 HA RCY 10 HA RCY 10 53.031 -3.254 2.767 75 HN1 RCY 10 HN1 RCY 10 52.600 -3.656 5.557 76 H ARG 11 HN ARG 11 54.982 -5.135 2.034 77 HA ARG 11 HA ARG 11 55.158 -7.237 1.011 78 HE ARG 11 HE ARG 11 56.125 -11.663 2.203 79 HB2 ARG 11 HB2 ARG 11 54.883 -7.854 3.519 80 HB3 ARG 11 HB1 ARG 11 53.228 -8.280 3.084 81 HG2 ARG 11 HG2 ARG 11 54.141 -9.773 1.289 82 HG3 ARG 11 HG1 ARG 11 55.765 -9.429 1.887 83 HD2 ARG 11 HD2 ARG 11 54.837 -10.190 4.193 84 HD3 ARG 11 HD1 ARG 11 53.534 -10.921 3.256 85 HH11 ARG 11 HH21 ARG 11 53.814 -12.211 4.702 86 HH12 ARG 11 HH22 ARG 11 54.304 -13.849 4.979 87 HH21 ARG 11 HH11 ARG 11 56.778 -13.798 2.550 88 HH22 ARG 11 HH12 ARG 11 55.983 -14.748 3.760 89 H SER 12 HN SER 12 54.149 -7.328 -0.944 90 HA SER 12 HA SER 12 51.459 -8.361 -1.164 91 HG SER 12 HG SER 12 50.895 -6.370 -3.457 92 HB2 SER 12 HB2 SER 12 50.698 -6.162 -0.641 93 HB3 SER 12 HB1 SER 12 51.933 -5.414 -1.648 94 H ALA 13 HN ALA 13 53.916 -6.390 -2.858 95 HA ALA 13 HA ALA 13 53.274 -7.494 -5.456 96 HB1 ALA 13 HB1 ALA 13 54.355 -5.368 -5.445 97 HB2 ALA 13 HB2 ALA 13 55.560 -6.502 -6.054 98 HB3 ALA 13 HB3 ALA 13 55.639 -5.945 -4.382 99 H THR 14 HN THR 14 54.424 -9.064 -2.864 100 HA THR 14 HA THR 14 55.562 -11.089 -2.599 101 HB THR 14 HB THR 14 54.447 -11.149 -5.226 102 HG1 THR 14 HG1 THR 14 54.254 -12.586 -3.325 103 HG21 THR 14 HG21 THR 14 56.768 -10.971 -6.057 104 HG22 THR 14 HG22 THR 14 56.085 -12.561 -6.400 105 HG23 THR 14 HG23 THR 14 57.223 -12.359 -5.068 106 H ARG 15 HN ARG 15 57.721 -11.557 -2.270 107 HA ARG 15 HA ARG 15 59.679 -9.581 -2.801 108 HE ARG 15 HE ARG 15 61.622 -9.755 1.378 109 HB2 ARG 15 HB2 ARG 15 59.643 -11.696 -1.170 110 HB3 ARG 15 HB1 ARG 15 60.531 -12.439 -2.497 111 HG2 ARG 15 HG2 ARG 15 62.156 -11.462 -1.005 112 HG3 ARG 15 HG1 ARG 15 62.094 -10.451 -2.449 113 HD2 ARG 15 HD2 ARG 15 61.340 -8.667 -1.285 114 HD3 ARG 15 HD1 ARG 15 60.134 -9.636 -0.440 115 HH11 ARG 15 HH21 ARG 15 63.256 -9.028 -1.570 116 HH12 ARG 15 HH22 ARG 15 64.799 -8.805 -0.815 117 HH21 ARG 15 HH11 ARG 15 63.627 -9.468 2.381 118 HH22 ARG 15 HH12 ARG 15 65.009 -9.054 1.422 119 H VAL 16 HN VAL 16 60.419 -9.009 -4.786 120 HA VAL 16 HA VAL 16 60.455 -11.034 -6.961 121 HB VAL 16 HB VAL 16 60.901 -8.034 -7.021 122 HG11 VAL 16 HG11 VAL 16 60.755 -10.139 -9.193 123 HG12 VAL 16 HG12 VAL 16 62.076 -9.016 -8.868 124 HG13 VAL 16 HG13 VAL 16 60.548 -8.417 -9.513 125 HG21 VAL 16 HG21 VAL 16 58.532 -9.800 -7.698 126 HG22 VAL 16 HG22 VAL 16 58.658 -8.116 -8.208 127 HG23 VAL 16 HG23 VAL 16 58.600 -8.516 -6.491 128 H MET 17 HN MET 17 62.343 -11.992 -7.537 129 HA MET 17 HA MET 17 64.893 -10.534 -7.192 130 HB2 MET 17 HB2 MET 17 65.762 -12.844 -6.174 131 HB3 MET 17 HB1 MET 17 65.081 -11.591 -5.139 132 HG2 MET 17 HG2 MET 17 64.112 -13.846 -4.678 133 HG3 MET 17 HG1 MET 17 62.896 -12.676 -5.189 134 HE1 MET 17 HE1 MET 17 63.311 -16.308 -5.554 135 HE2 MET 17 HE2 MET 17 61.847 -16.183 -6.527 136 HE3 MET 17 HE3 MET 17 62.018 -15.202 -5.073 137 H GLY 18 HN GLY 18 64.093 -10.825 -9.616 138 HA2 GLY 18 HA2 GLY 18 65.047 -13.442 -10.682 139 HA3 GLY 18 HA1 GLY 18 64.046 -12.293 -11.571 140 H GLY 19 HN GLY 19 66.345 -13.244 -12.772 141 HA2 GLY 19 HA2 GLY 19 68.633 -11.536 -12.304 142 HA3 GLY 19 HA1 GLY 19 68.390 -12.565 -13.717 143 HA PRO 20 HA PRO 20 67.013 -9.437 -16.495 144 HB2 PRO 20 HB2 PRO 20 64.126 -10.028 -15.942 145 HB3 PRO 20 HB1 PRO 20 64.970 -9.891 -17.498 146 HG2 PRO 20 HG2 PRO 20 64.316 -12.260 -16.473 147 HG3 PRO 20 HG1 PRO 20 65.822 -12.022 -17.373 148 HD2 PRO 20 HD2 PRO 20 65.425 -12.404 -14.446 149 HD3 PRO 20 HD1 PRO 20 66.833 -12.801 -15.457 150 H1U RCY 21 H1U RCY 21 64.359 -6.095 -6.979 151 H1S RCY 21 H1S RCY 21 67.275 -7.009 -9.649 152 HB1 RCY 21 HB1 RCY 21 67.180 -5.043 -12.634 153 HB2 RCY 21 HB2 RCY 21 68.316 -6.153 -13.400 154 HA RCY 21 HA RCY 21 65.334 -6.173 -13.943 155 HN1 RCY 21 HN1 RCY 21 67.498 -7.459 -15.556 156 H THR 22 HN THR 22 64.997 -3.989 -14.432 157 HA THR 22 HA THR 22 65.721 -3.035 -16.992 158 HB THR 22 HB THR 22 65.112 -1.233 -14.644 159 HG1 THR 22 HG1 THR 22 63.644 -2.983 -14.700 160 HG21 THR 22 HG21 THR 22 65.712 -0.294 -16.923 161 HG22 THR 22 HG22 THR 22 64.130 0.189 -16.310 162 HG23 THR 22 HG23 THR 22 64.253 -1.069 -17.541 163 HA PRO 23 HA PRO 23 70.137 -2.337 -16.223 164 HB2 PRO 23 HB2 PRO 23 69.629 -0.486 -18.532 165 HB3 PRO 23 HB1 PRO 23 70.957 -1.638 -18.284 166 HG2 PRO 23 HG2 PRO 23 68.918 -2.190 -19.909 167 HG3 PRO 23 HG1 PRO 23 69.682 -3.445 -18.919 168 HD2 PRO 23 HD2 PRO 23 67.011 -2.178 -18.602 169 HD3 PRO 23 HD1 PRO 23 67.575 -3.774 -18.061 170 H ARG 24 HN ARG 24 70.347 -1.096 -14.365 171 HA ARG 24 HA ARG 24 69.092 1.371 -13.816 172 HE ARG 24 HE ARG 24 67.260 -0.899 -12.782 173 HB2 ARG 24 HB2 ARG 24 71.514 -0.047 -12.790 174 HB3 ARG 24 HB1 ARG 24 71.368 1.665 -12.399 175 HG2 ARG 24 HG2 ARG 24 70.292 0.443 -10.623 176 HG3 ARG 24 HG1 ARG 24 69.015 1.180 -11.591 177 HD2 ARG 24 HD2 ARG 24 69.579 -1.321 -12.791 178 HD3 ARG 24 HD1 ARG 24 69.481 -1.613 -11.054 179 HH11 ARG 24 HH21 ARG 24 68.635 -0.640 -9.631 180 HH12 ARG 24 HH22 ARG 24 67.109 -0.430 -8.837 181 HH21 ARG 24 HH11 ARG 24 65.260 -0.627 -11.764 182 HH22 ARG 24 HH12 ARG 24 65.199 -0.423 -10.045 183 H LYS 25 HN LYS 25 69.268 3.247 -14.918 184 HA LYS 25 HA LYS 25 71.936 3.992 -16.049 185 HB2 LYS 25 HB2 LYS 25 69.857 3.257 -17.628 186 HB3 LYS 25 HB1 LYS 25 69.488 4.970 -17.442 187 HG2 LYS 25 HG2 LYS 25 70.904 4.994 -19.301 188 HG3 LYS 25 HG1 LYS 25 72.040 5.296 -17.985 189 HD2 LYS 25 HD2 LYS 25 73.145 3.573 -19.062 190 HD3 LYS 25 HD1 LYS 25 72.152 2.636 -17.945 191 HE2 LYS 25 HE2 LYS 25 70.391 2.526 -19.768 192 HE3 LYS 25 HE1 LYS 25 71.592 3.211 -20.864 193 HZ1 LYS 25 HZ1 LYS 25 71.980 0.730 -19.281 194 HZ2 LYS 25 HZ2 LYS 25 73.036 1.364 -20.452 195 HZ3 LYS 25 HZ3 LYS 25 71.514 0.765 -20.912 196 H GLY 26 HN GLY 26 72.616 5.908 -15.211 197 HA2 GLY 26 HA2 GLY 26 70.759 8.124 -14.812 198 HA3 GLY 26 HA1 GLY 26 71.353 7.442 -13.297 199 HA PRO 27 HA PRO 27 74.217 10.750 -15.517 200 HB2 PRO 27 HB2 PRO 27 73.733 11.887 -12.786 201 HB3 PRO 27 HB1 PRO 27 73.962 12.729 -14.331 202 HG2 PRO 27 HG2 PRO 27 71.544 12.419 -13.236 203 HG3 PRO 27 HG1 PRO 27 71.793 12.398 -14.989 204 HD2 PRO 27 HD2 PRO 27 71.116 10.155 -13.173 205 HD3 PRO 27 HD1 PRO 27 70.857 10.306 -14.924 206 HA PRO 28 HA PRO 28 77.456 8.215 -13.588 207 HB2 PRO 28 HB2 PRO 28 79.076 10.549 -14.555 208 HB3 PRO 28 HB1 PRO 28 79.395 8.811 -14.725 209 HG2 PRO 28 HG2 PRO 28 78.445 10.266 -16.750 210 HG3 PRO 28 HG1 PRO 28 77.947 8.585 -16.495 211 HD2 PRO 28 HD2 PRO 28 76.395 11.084 -16.068 212 HD3 PRO 28 HD1 PRO 28 75.814 9.439 -16.403 213 H LYS 29 HN LYS 29 78.226 8.265 -11.490 214 HA LYS 29 HA LYS 29 78.622 10.921 -10.185 215 HB2 LYS 29 HB2 LYS 29 76.335 9.681 -9.709 216 HB3 LYS 29 HB1 LYS 29 77.328 8.686 -8.645 217 HG2 LYS 29 HG2 LYS 29 77.111 11.712 -8.549 218 HG3 LYS 29 HG1 LYS 29 76.383 10.587 -7.400 219 HD2 LYS 29 HD2 LYS 29 78.789 9.698 -7.053 220 HD3 LYS 29 HD1 LYS 29 79.306 11.190 -7.838 221 HE2 LYS 29 HE2 LYS 29 77.827 12.419 -6.148 222 HE3 LYS 29 HE1 LYS 29 77.731 10.889 -5.276 223 HZ1 LYS 29 HZ1 LYS 29 80.398 11.687 -6.062 224 HZ2 LYS 29 HZ2 LYS 29 79.841 11.049 -4.589 225 HZ3 LYS 29 HZ3 LYS 29 79.663 12.705 -4.922 226 H1U RCY 30 H1U RCY 30 84.919 11.878 -11.114 227 H1S RCY 30 H1S RCY 30 84.849 10.150 -7.458 228 HB1 RCY 30 HB1 RCY 30 81.200 8.078 -7.306 229 HB2 RCY 30 HB2 RCY 30 81.259 9.780 -6.848 230 HA RCY 30 HA RCY 30 82.817 10.106 -8.859 231 HN1 RCY 30 HN1 RCY 30 80.772 10.858 -9.724 232 H LYS 31 HN LYS 31 80.797 8.179 -10.709 233 HA LYS 31 HA LYS 31 81.122 6.171 -11.893 234 HB2 LYS 31 HB2 LYS 31 82.989 7.888 -12.648 235 HB3 LYS 31 HB1 LYS 31 84.069 6.762 -11.830 236 HG2 LYS 31 HG2 LYS 31 84.050 5.838 -13.960 237 HG3 LYS 31 HG1 LYS 31 82.710 4.958 -13.224 238 HD2 LYS 31 HD2 LYS 31 81.143 6.688 -14.128 239 HD3 LYS 31 HD1 LYS 31 82.506 7.433 -14.965 240 HE2 LYS 31 HE2 LYS 31 82.923 5.177 -16.057 241 HE3 LYS 31 HE1 LYS 31 81.373 4.658 -15.395 242 HZ1 LYS 31 HZ1 LYS 31 80.400 6.662 -16.513 243 HZ2 LYS 31 HZ2 LYS 31 80.957 5.446 -17.561 244 HZ3 LYS 31 HZ3 LYS 31 81.880 6.852 -17.321 245 H GLN 32 HN GLN 32 83.719 4.677 -11.773 246 HA GLN 32 HA GLN 32 83.649 3.649 -8.973 247 HB2 GLN 32 HB2 GLN 32 83.007 2.160 -11.497 248 HB3 GLN 32 HB1 GLN 32 83.883 1.305 -10.228 249 HG2 GLN 32 HG2 GLN 32 81.491 0.968 -9.902 250 HG3 GLN 32 HG1 GLN 32 82.108 1.990 -8.604 251 HE21 GLN 32 HE21 GLN 32 80.350 3.378 -8.183 252 HE22 GLN 32 HE22 GLN 32 79.591 4.336 -9.361 253 H ARG 33 HN ARG 33 85.692 3.250 -8.221 254 HA ARG 33 HA ARG 33 87.856 2.317 -9.861 255 HE ARG 33 HE ARG 33 87.330 7.997 -7.983 256 HB2 ARG 33 HB2 ARG 33 89.242 4.435 -9.710 257 HB3 ARG 33 HB1 ARG 33 87.887 4.518 -10.836 258 HG2 ARG 33 HG2 ARG 33 86.520 5.560 -8.989 259 HG3 ARG 33 HG1 ARG 33 87.993 5.641 -8.023 260 HD2 ARG 33 HD2 ARG 33 89.068 6.979 -9.828 261 HD3 ARG 33 HD1 ARG 33 87.545 6.959 -10.717 262 HH11 ARG 33 HH21 ARG 33 87.905 8.609 -11.326 263 HH12 ARG 33 HH22 ARG 33 87.449 10.277 -11.236 264 HH21 ARG 33 HH11 ARG 33 86.731 10.172 -7.845 265 HH22 ARG 33 HH12 ARG 33 86.784 11.163 -9.265 266 H GLN 34 HN GLN 34 87.127 1.254 -7.555 267 HA GLN 34 HA GLN 34 87.953 2.278 -5.099 268 HB2 GLN 34 HB2 GLN 34 86.879 0.065 -5.369 269 HB3 GLN 34 HB1 GLN 34 88.364 -0.563 -6.086 270 HG2 GLN 34 HG2 GLN 34 89.585 -0.247 -4.043 271 HG3 GLN 34 HG1 GLN 34 88.264 0.676 -3.326 272 HE21 GLN 34 HE21 GLN 34 89.345 -2.587 -4.165 273 HE22 GLN 34 HE22 GLN 34 88.116 -3.402 -3.324 274 H THR 35 HN THR 35 89.861 3.272 -4.659 275 HA THR 35 HA THR 35 92.259 2.864 -6.192 276 HB THR 35 HB THR 35 92.126 4.001 -3.392 277 HG1 THR 35 HG1 THR 35 90.855 5.436 -4.214 278 HG21 THR 35 HG21 THR 35 93.968 5.426 -4.292 279 HG22 THR 35 HG22 THR 35 93.902 4.506 -5.795 280 HG23 THR 35 HG23 THR 35 94.370 3.708 -4.294 281 H ARG 36 HN ARG 36 91.442 1.900 -2.834 282 HA ARG 36 HA ARG 36 92.738 -0.661 -3.115 283 HE ARG 36 HE ARG 36 95.808 0.787 0.746 284 HB2 ARG 36 HB2 ARG 36 94.685 1.036 -2.989 285 HB3 ARG 36 HB1 ARG 36 94.219 1.249 -1.301 286 HG2 ARG 36 HG2 ARG 36 94.335 -1.321 -1.130 287 HG3 ARG 36 HG1 ARG 36 95.200 -1.260 -2.666 288 HD2 ARG 36 HD2 ARG 36 96.957 -1.158 -1.128 289 HD3 ARG 36 HD1 ARG 36 96.667 0.550 -1.456 290 HH11 ARG 36 HH21 ARG 36 96.262 -2.502 -0.184 291 HH12 ARG 36 HH22 ARG 36 96.004 -3.127 1.410 292 HH21 ARG 36 HH11 ARG 36 95.468 -0.011 2.834 293 HH22 ARG 36 HH12 ARG 36 95.555 -1.717 3.119 294 H GLN 37 HN GLN 37 90.445 -0.819 -2.231 295 HA GLN 37 HA GLN 37 88.950 -1.101 -0.437 296 HB2 GLN 37 HB2 GLN 37 91.603 -1.827 0.840 297 HB3 GLN 37 HB1 GLN 37 90.034 -2.146 1.580 298 HG2 GLN 37 HG2 GLN 37 90.632 -3.091 -1.218 299 HG3 GLN 37 HG1 GLN 37 91.134 -4.042 0.180 300 HE21 GLN 37 HE21 GLN 37 89.600 -5.566 0.785 301 HE22 GLN 37 HE22 GLN 37 87.923 -5.405 0.575 302 H1U RCY 38 H1U RCY 38 83.405 2.272 -0.084 303 H1S RCY 38 H1S RCY 38 86.733 2.593 2.312 304 HB1 RCY 38 HB1 RCY 38 88.790 2.256 4.043 305 HB2 RCY 38 HB2 RCY 38 88.285 1.241 2.692 306 HA RCY 38 HA RCY 38 91.051 2.237 2.469 307 HN1 RCY 38 HN1 RCY 38 90.789 -0.568 2.266 308 H LYS 39 HN LYS 39 89.635 -0.450 4.365 309 HA LYS 39 HA LYS 39 90.230 -1.301 6.464 310 HB2 LYS 39 HB2 LYS 39 92.910 0.038 6.034 311 HB3 LYS 39 HB1 LYS 39 92.556 -1.397 6.995 312 HG2 LYS 39 HG2 LYS 39 91.729 -2.443 4.782 313 HG3 LYS 39 HG1 LYS 39 92.579 -1.115 3.991 314 HD2 LYS 39 HD2 LYS 39 94.666 -1.767 5.147 315 HD3 LYS 39 HD1 LYS 39 93.816 -3.110 5.913 316 HE2 LYS 39 HE2 LYS 39 93.386 -4.146 3.770 317 HE3 LYS 39 HE1 LYS 39 94.020 -2.741 2.912 318 HZ1 LYS 39 HZ1 LYS 39 95.744 -4.311 2.940 319 HZ2 LYS 39 HZ2 LYS 39 95.505 -4.683 4.581 320 HZ3 LYS 39 HZ3 LYS 39 96.161 -3.180 4.135 321 H SER 40 HN SER 40 90.147 -0.610 8.610 322 HA SER 40 HA SER 40 90.955 2.015 9.484 323 HG SER 40 HG SER 40 88.333 3.242 7.542 324 HB2 SER 40 HB2 SER 40 88.037 1.560 8.830 325 HB3 SER 40 HB1 SER 40 88.564 2.790 9.975 326 H LYS 41 HN LYS 41 89.176 -0.948 9.924 327 HA LYS 41 HA LYS 41 89.746 -0.803 12.846 328 HB2 LYS 41 HB2 LYS 41 87.509 -1.829 13.285 329 HB3 LYS 41 HB1 LYS 41 87.386 -0.211 12.596 330 HG2 LYS 41 HG2 LYS 41 87.503 -1.875 10.362 331 HG3 LYS 41 HG1 LYS 41 86.481 -2.760 11.495 332 HD2 LYS 41 HD2 LYS 41 85.136 -0.669 11.827 333 HD3 LYS 41 HD1 LYS 41 86.091 0.095 10.556 334 HE2 LYS 41 HE2 LYS 41 85.411 -1.935 9.101 335 HE3 LYS 41 HE1 LYS 41 84.174 -2.222 10.324 336 HZ1 LYS 41 HZ1 LYS 41 83.620 -0.739 8.315 337 HZ2 LYS 41 HZ2 LYS 41 84.503 0.455 9.140 338 HZ3 LYS 41 HZ3 LYS 41 83.127 -0.236 9.859 339 HA PRO 42 HA PRO 42 91.370 -4.852 12.117 340 HB2 PRO 42 HB2 PRO 42 90.847 -6.043 14.566 341 HB3 PRO 42 HB1 PRO 42 92.201 -4.940 14.255 342 HG2 PRO 42 HG2 PRO 42 89.580 -4.395 15.542 343 HG3 PRO 42 HG1 PRO 42 91.187 -3.758 15.932 344 HD2 PRO 42 HD2 PRO 42 89.330 -2.298 14.570 345 HD3 PRO 42 HD1 PRO 42 91.078 -2.107 14.302 346 HA PRO 43 HA PRO 43 88.015 -7.485 10.940 347 HB2 PRO 43 HB2 PRO 43 89.174 -9.971 11.103 348 HB3 PRO 43 HB1 PRO 43 89.525 -8.810 9.809 349 HG2 PRO 43 HG2 PRO 43 91.101 -9.446 12.251 350 HG3 PRO 43 HG1 PRO 43 91.656 -9.108 10.603 351 HD2 PRO 43 HD2 PRO 43 91.748 -7.247 12.608 352 HD3 PRO 43 HD1 PRO 43 91.555 -6.812 10.895 353 H LYS 44 HN LYS 44 86.257 -7.961 12.168 354 HA LYS 44 HA LYS 44 86.223 -10.014 14.165 355 HB2 LYS 44 HB2 LYS 44 87.455 -8.069 15.351 356 HB3 LYS 44 HB1 LYS 44 85.895 -7.250 15.346 357 HG2 LYS 44 HG2 LYS 44 85.747 -8.348 17.377 358 HG3 LYS 44 HG1 LYS 44 85.064 -9.585 16.322 359 HD2 LYS 44 HD2 LYS 44 87.420 -10.514 16.080 360 HD3 LYS 44 HD1 LYS 44 87.893 -9.426 17.385 361 HE2 LYS 44 HE2 LYS 44 87.378 -11.473 18.471 362 HE3 LYS 44 HE1 LYS 44 85.953 -10.464 18.722 363 HZ1 LYS 44 HZ1 LYS 44 84.699 -11.805 17.481 364 HZ2 LYS 44 HZ2 LYS 44 85.941 -12.950 17.662 365 HZ3 LYS 44 HZ3 LYS 44 85.881 -11.971 16.275 366 H LYS 45 HN LYS 45 84.230 -7.915 15.569 367 HA LYS 45 HA LYS 45 82.105 -7.855 13.525 368 HB2 LYS 45 HB2 LYS 45 82.222 -9.840 15.701 369 HB3 LYS 45 HB1 LYS 45 80.708 -8.938 15.661 370 HG2 LYS 45 HG2 LYS 45 80.340 -9.540 13.342 371 HG3 LYS 45 HG1 LYS 45 81.934 -10.290 13.240 372 HD2 LYS 45 HD2 LYS 45 80.180 -11.287 15.415 373 HD3 LYS 45 HD1 LYS 45 79.669 -11.685 13.774 374 HE2 LYS 45 HE2 LYS 45 81.195 -13.404 14.772 375 HE3 LYS 45 HE1 LYS 45 81.830 -12.689 13.290 376 HZ1 LYS 45 HZ1 LYS 45 82.512 -11.602 15.952 377 HZ2 LYS 45 HZ2 LYS 45 83.319 -11.370 14.475 378 HZ3 LYS 45 HZ3 LYS 45 83.397 -12.875 15.261 379 H GLY 46 HN GLY 46 82.543 -5.553 13.937 380 HA2 GLY 46 HA2 GLY 46 82.135 -4.391 16.545 381 HA3 GLY 46 HA1 GLY 46 82.146 -3.505 15.020 382 H VAL 47 HN VAL 47 80.141 -5.080 17.391 383 HA VAL 47 HA VAL 47 77.678 -4.980 15.876 384 HB VAL 47 HB VAL 47 76.618 -5.228 18.158 385 HG11 VAL 47 HG11 VAL 47 78.857 -7.063 17.282 386 HG12 VAL 47 HG12 VAL 47 77.129 -7.242 16.980 387 HG13 VAL 47 HG13 VAL 47 77.768 -7.469 18.608 388 HG21 VAL 47 HG21 VAL 47 79.497 -5.365 19.099 389 HG22 VAL 47 HG22 VAL 47 78.043 -5.477 20.092 390 HG23 VAL 47 HG23 VAL 47 78.470 -3.949 19.322 391 H GLN 48 HN GLN 48 79.592 -2.615 17.435 392 HA GLN 48 HA GLN 48 77.673 -0.752 18.349 393 HB2 GLN 48 HB2 GLN 48 80.126 -0.520 18.683 394 HB3 GLN 48 HB1 GLN 48 80.307 -0.153 16.967 395 HG2 GLN 48 HG2 GLN 48 79.069 1.873 17.165 396 HG3 GLN 48 HG1 GLN 48 78.474 1.439 18.768 397 HE21 GLN 48 HE21 GLN 48 81.691 0.464 18.575 398 HE22 GLN 48 HE22 GLN 48 82.418 1.825 19.282 399 H GLY 49 HN GLY 49 79.456 -0.170 15.322 400 HA2 GLY 49 HA2 GLY 49 77.528 -0.271 13.385 401 HA3 GLY 49 HA1 GLY 49 77.130 1.232 14.220 402 H1U RCY 50 H1U RCY 50 81.559 4.306 5.001 403 H1S RCY 50 H1S RCY 50 82.562 3.859 9.196 404 HB1 RCY 50 HB1 RCY 50 78.824 4.267 11.491 405 HB2 RCY 50 HB2 RCY 50 79.551 2.825 10.781 406 HA RCY 50 HA RCY 50 81.139 2.673 12.633 407 HN1 RCY 50 HN1 RCY 50 78.658 2.974 14.152 408 H GLY 51 HN GLY 51 78.840 5.352 13.251 409 HA2 GLY 51 HA2 GLY 51 79.227 7.433 14.276 410 HA3 GLY 51 HA1 GLY 51 80.072 6.476 15.494 411 H ASP 52 HN ASP 52 80.997 6.800 12.088 412 HA ASP 52 HA ASP 52 83.740 7.328 12.740 413 HB2 ASP 52 HB2 ASP 52 83.155 6.373 10.580 414 HB3 ASP 52 HB1 ASP 52 82.183 7.789 10.178 415 H ASP 53 HN ASP 53 82.397 9.608 10.505 416 HA ASP 53 HA ASP 53 83.301 11.815 12.265 417 HB2 ASP 53 HB2 ASP 53 82.376 11.831 9.374 418 HB3 ASP 53 HB1 ASP 53 83.050 13.212 10.243 419 H ILE 54 HN ILE 54 80.414 11.020 10.289 420 HA ILE 54 HA ILE 54 78.755 12.367 12.370 421 HB ILE 54 HB ILE 54 77.286 13.100 10.321 422 HG12 ILE 54 HG12 ILE 54 79.097 11.744 8.876 423 HG13 ILE 54 HG11 ILE 54 78.271 13.164 8.235 424 HG21 ILE 54 HG21 ILE 54 78.248 14.779 11.699 425 HG22 ILE 54 HG22 ILE 54 78.792 15.172 10.068 426 HG23 ILE 54 HG23 ILE 54 79.887 14.367 11.193 427 HD11 ILE 54 HD11 ILE 54 80.878 13.048 8.078 428 HD12 ILE 54 HD12 ILE 54 80.829 13.481 9.787 429 HD13 ILE 54 HD13 ILE 54 80.122 14.559 8.584 430 HA PRO 55 HA PRO 55 76.398 8.632 11.947 431 HB2 PRO 55 HB2 PRO 55 74.000 9.424 12.962 432 HB3 PRO 55 HB1 PRO 55 75.444 9.226 13.976 433 HG2 PRO 55 HG2 PRO 55 74.257 11.722 12.862 434 HG3 PRO 55 HG1 PRO 55 74.939 11.415 14.468 435 HD2 PRO 55 HD2 PRO 55 76.325 12.696 12.472 436 HD3 PRO 55 HD1 PRO 55 77.114 11.756 13.758 437 H GLY 56 HN GLY 56 76.541 9.159 9.455 438 HA2 GLY 56 HA2 GLY 56 75.466 9.460 7.374 439 HA3 GLY 56 HA1 GLY 56 74.199 8.503 8.141 440 H MET 57 HN MET 57 75.286 11.788 8.970 441 HA MET 57 HA MET 57 74.073 13.787 9.115 442 HB2 MET 57 HB2 MET 57 73.922 13.250 6.603 443 HB3 MET 57 HB1 MET 57 72.297 12.660 6.941 444 HG2 MET 57 HG2 MET 57 73.230 15.414 7.772 445 HG3 MET 57 HG1 MET 57 72.456 15.103 6.218 446 HE1 MET 57 HE1 MET 57 70.996 17.047 7.139 447 HE2 MET 57 HE2 MET 57 69.355 16.586 7.585 448 HE3 MET 57 HE3 MET 57 70.069 15.954 6.103 449 H GLU 58 HN GLU 58 71.326 11.784 8.075 450 HA GLU 58 HA GLU 58 69.893 12.574 10.530 451 HB2 GLU 58 HB2 GLU 58 68.634 12.704 8.467 452 HB3 GLU 58 HB1 GLU 58 69.045 11.040 8.054 453 HG2 GLU 58 HG2 GLU 58 66.732 11.300 9.014 454 HG3 GLU 58 HG1 GLU 58 67.758 10.193 9.926 455 H GLY 59 HN GLY 59 71.357 9.719 9.082 456 HA2 GLY 59 HA2 GLY 59 71.768 8.340 11.479 457 HA3 GLY 59 HA1 GLY 59 70.182 7.816 10.912 458 H1U RCY 60 H1U RCY 60 76.444 4.324 4.469 459 H1S RCY 60 H1S RCY 60 73.578 2.448 6.860 460 HB1 RCY 60 HB1 RCY 60 73.173 4.038 10.952 461 HB2 RCY 60 HB2 RCY 60 74.803 4.417 10.403 462 HA RCY 60 HA RCY 60 74.060 5.822 8.724 463 HN1 RCY 60 HN1 RCY 60 72.697 6.261 11.106 464 H GLY 61 HN GLY 61 70.756 4.867 9.529 465 HA2 GLY 61 HA2 GLY 61 70.170 3.078 7.466 466 HA3 GLY 61 HA1 GLY 61 69.002 4.246 8.086 467 H THR 62 HN THR 62 70.372 6.619 7.309 468 HA THR 62 HA THR 62 70.168 8.061 5.437 469 HB THR 62 HB THR 62 71.821 7.467 3.675 470 HG1 THR 62 HG1 THR 62 72.752 5.501 3.680 471 HG21 THR 62 HG21 THR 62 73.776 7.443 5.135 472 HG22 THR 62 HG22 THR 62 72.797 6.859 6.480 473 HG23 THR 62 HG23 THR 62 72.536 8.480 5.838 474 H ASP 63 HN ASP 63 67.816 7.254 5.225 475 HA ASP 63 HA ASP 63 67.191 5.290 3.202 476 HB2 ASP 63 HB2 ASP 63 65.656 6.084 5.070 477 HB3 ASP 63 HB1 ASP 63 65.407 7.554 4.127 478 H ILE 64 HN ILE 64 68.995 7.669 2.522 479 HA ILE 64 HA ILE 64 68.788 7.977 -0.124 480 HB ILE 64 HB ILE 64 66.461 8.513 -0.200 481 HG12 ILE 64 HG12 ILE 64 67.432 11.313 -0.312 482 HG13 ILE 64 HG11 ILE 64 68.355 10.154 -1.269 483 HG21 ILE 64 HG21 ILE 64 67.024 9.727 2.328 484 HG22 ILE 64 HG22 ILE 64 65.451 9.431 1.588 485 HG23 ILE 64 HG23 ILE 64 66.296 10.949 1.284 486 HD11 ILE 64 HD11 ILE 64 66.333 9.421 -2.414 487 HD12 ILE 64 HD12 ILE 64 66.464 11.174 -2.548 488 HD13 ILE 64 HD13 ILE 64 65.341 10.460 -1.391 489 H THR 65 HN THR 65 70.961 8.398 0.978 490 HA THR 65 HA THR 65 71.406 11.069 2.044 491 HB THR 65 HB THR 65 73.016 9.427 2.715 492 HG1 THR 65 HG1 THR 65 74.639 10.402 0.758 493 HG21 THR 65 HG21 THR 65 73.150 8.767 -0.233 494 HG22 THR 65 HG22 THR 65 72.662 7.710 1.092 495 HG23 THR 65 HG23 THR 65 74.350 8.192 0.925 496 H VAL 66 HN VAL 66 69.936 10.981 -0.381 497 HA VAL 66 HA VAL 66 69.806 12.224 -2.356 498 HB VAL 66 HB VAL 66 72.694 13.036 -2.103 499 HG11 VAL 66 HG11 VAL 66 71.943 15.021 -3.181 500 HG12 VAL 66 HG12 VAL 66 70.256 14.685 -2.793 501 HG13 VAL 66 HG13 VAL 66 71.095 13.708 -3.998 502 HG21 VAL 66 HG21 VAL 66 70.483 13.619 -0.200 503 HG22 VAL 66 HG22 VAL 66 71.461 14.997 -0.705 504 HG23 VAL 66 HG23 VAL 66 72.225 13.610 0.070 505 H ILE 67 HN ILE 67 72.142 9.855 -1.635 506 HA ILE 67 HA ILE 67 72.266 9.107 -4.519 507 HB ILE 67 HB ILE 67 74.648 9.263 -2.649 508 HG12 ILE 67 HG12 ILE 67 75.140 10.510 -5.125 509 HG13 ILE 67 HG11 ILE 67 73.515 11.019 -4.662 510 HG21 ILE 67 HG21 ILE 67 75.866 8.480 -4.764 511 HG22 ILE 67 HG22 ILE 67 74.282 8.001 -5.372 512 HG23 ILE 67 HG23 ILE 67 74.926 7.258 -3.908 513 HD11 ILE 67 HD11 ILE 67 74.467 11.552 -2.362 514 HD12 ILE 67 HD12 ILE 67 75.018 12.599 -3.670 515 HD13 ILE 67 HD13 ILE 67 76.068 11.318 -3.065 516 H1U RCY 68 H1U RCY 68 73.810 1.713 -0.687 517 H1S RCY 68 H1S RCY 68 72.154 5.722 -1.451 518 HB1 RCY 68 HB1 RCY 68 69.568 4.309 -2.612 519 HB2 RCY 68 HB2 RCY 68 69.216 5.975 -3.069 520 HA RCY 68 HA RCY 68 72.049 5.166 -2.454 521 HN1 RCY 68 HN1 RCY 68 70.995 7.262 -4.314 522 HA PRO 69 HA PRO 69 72.976 2.298 -5.629 523 HB2 PRO 69 HB2 PRO 69 70.502 0.847 -4.729 524 HB3 PRO 69 HB1 PRO 69 72.105 0.194 -5.123 525 HG2 PRO 69 HG2 PRO 69 71.273 0.680 -2.588 526 HG3 PRO 69 HG1 PRO 69 72.969 0.735 -3.089 527 HD2 PRO 69 HD2 PRO 69 71.283 2.933 -2.202 528 HD3 PRO 69 HD1 PRO 69 73.021 2.952 -2.570 529 H TRP 70 HN TRP 70 69.532 3.236 -5.419 530 HA TRP 70 HA TRP 70 69.124 2.590 -8.247 531 HD1 TRP 70 HD1 TRP 70 68.425 1.863 -4.822 532 HE1 TRP 70 HE1 TRP 70 67.862 2.932 -2.545 533 HE3 TRP 70 HE3 TRP 70 65.939 6.036 -6.397 534 HZ2 TRP 70 HZ2 TRP 70 66.531 5.254 -1.525 535 HZ3 TRP 70 HZ3 TRP 70 65.036 7.655 -4.758 536 HH2 TRP 70 HH2 TRP 70 65.327 7.273 -2.327 537 HB2 TRP 70 HB2 TRP 70 66.957 4.129 -7.608 538 HB3 TRP 70 HB1 TRP 70 67.051 2.396 -7.315 539 H GLU 71 HN GLU 71 71.256 4.489 -7.554 540 HA GLU 71 HA GLU 71 70.377 6.698 -9.337 541 HB2 GLU 71 HB2 GLU 71 71.615 7.040 -6.593 542 HB3 GLU 71 HB1 GLU 71 71.610 8.317 -7.809 543 HG2 GLU 71 HG2 GLU 71 69.106 6.918 -6.827 544 HG3 GLU 71 HG1 GLU 71 69.688 8.455 -6.185 545 H ALA 72 HN ALA 72 73.290 6.166 -7.346 546 HA ALA 72 HA ALA 72 75.007 6.680 -9.640 547 HB1 ALA 72 HB1 ALA 72 76.848 6.210 -8.043 548 HB2 ALA 72 HB2 ALA 72 75.656 5.701 -6.846 549 HB3 ALA 72 HB3 ALA 72 75.694 7.377 -7.397 550 H1U RCY 73 H1U RCY 73 76.958 -3.573 -3.887 551 H1S RCY 73 H1S RCY 73 74.098 -0.522 -6.218 552 HB1 RCY 73 HB1 RCY 73 73.479 1.446 -7.711 553 HB2 RCY 73 HB2 RCY 73 75.030 1.363 -6.877 554 HA RCY 73 HA RCY 73 76.202 2.021 -8.912 555 HN1 RCY 73 HN1 RCY 73 74.527 3.793 -7.556 556 H ASN 74 HN ASN 74 76.285 1.938 -11.111 557 HA ASN 74 HA ASN 74 73.784 1.956 -12.692 558 HB2 ASN 74 HB2 ASN 74 75.618 3.298 -13.553 559 HB3 ASN 74 HB1 ASN 74 76.711 1.915 -13.488 560 HD21 ASN 74 HD21 ASN 74 76.700 0.469 -15.265 561 HD22 ASN 74 HD22 ASN 74 75.645 0.610 -16.587 562 H HIS 75 HN HIS 75 76.533 -0.185 -11.982 563 HA HIS 75 HA HIS 75 75.092 -2.586 -11.986 564 HD1 HIS 75 HD1 HIS 75 73.148 -2.118 -12.663 565 HD2 HIS 75 HD2 HIS 75 74.304 -4.605 -15.806 566 HE1 HIS 75 HE1 HIS 75 71.124 -3.527 -13.243 567 HE2 HIS 75 HE2 HIS 75 71.815 -5.045 -15.154 568 HB2 HIS 75 HB2 HIS 75 75.537 -1.548 -14.677 569 HB3 HIS 75 HB1 HIS 75 76.306 -3.119 -14.474 570 H1U RCY 76 H1U RCY 76 73.496 -5.317 -6.975 571 H1S RCY 76 H1S RCY 76 76.599 -3.005 -8.976 572 HB1 RCY 76 HB1 RCY 76 79.363 -1.910 -10.603 573 HB2 RCY 76 HB2 RCY 76 80.468 -3.123 -9.958 574 HA RCY 76 HA RCY 76 79.197 -4.245 -11.637 575 HN1 RCY 76 HN1 RCY 76 76.516 -3.622 -10.664 576 H GLU 77 HN GLU 77 77.134 -5.971 -11.044 577 HA GLU 77 HA GLU 77 76.889 -6.929 -8.413 578 HB2 GLU 77 HB2 GLU 77 76.852 -8.332 -11.087 579 HB3 GLU 77 HB1 GLU 77 76.629 -9.229 -9.585 580 HG2 GLU 77 HG2 GLU 77 74.719 -7.830 -8.987 581 HG3 GLU 77 HG1 GLU 77 74.969 -6.833 -10.421 582 H LEU 78 HN LEU 78 78.906 -8.695 -10.761 583 HA LEU 78 HA LEU 78 80.940 -9.819 -10.461 584 HG LEU 78 HG LEU 78 83.056 -9.793 -9.507 585 HB2 LEU 78 HB2 LEU 78 81.752 -7.489 -10.251 586 HB3 LEU 78 HB1 LEU 78 81.434 -7.538 -8.519 587 HD11 LEU 78 HD11 LEU 78 85.126 -8.309 -9.569 588 HD12 LEU 78 HD12 LEU 78 84.030 -6.933 -9.694 589 HD13 LEU 78 HD13 LEU 78 84.049 -8.163 -10.958 590 HD21 LEU 78 HD21 LEU 78 83.490 -7.747 -7.308 591 HD22 LEU 78 HD22 LEU 78 84.314 -9.298 -7.473 592 HD23 LEU 78 HD23 LEU 78 82.589 -9.250 -7.109 593 H HIS 79 HN HIS 79 82.158 -11.146 -8.904 594 HA HIS 79 HA HIS 79 81.015 -11.417 -6.197 595 HD1 HIS 79 HD1 HIS 79 78.716 -13.856 -9.375 596 HD2 HIS 79 HD2 HIS 79 82.873 -13.536 -9.240 597 HE1 HIS 79 HE1 HIS 79 79.555 -14.451 -11.689 598 HE2 HIS 79 HE2 HIS 79 82.084 -14.260 -11.621 599 HB2 HIS 79 HB2 HIS 79 80.831 -13.989 -6.722 600 HB3 HIS 79 HB1 HIS 79 79.512 -12.915 -7.187 601 H GLU 80 HN GLU 80 83.310 -10.658 -5.880 602 HA GLU 80 HA GLU 80 85.079 -13.008 -5.577 603 HB2 GLU 80 HB2 GLU 80 85.387 -11.622 -7.875 604 HB3 GLU 80 HB1 GLU 80 86.375 -10.617 -6.819 605 HG2 GLU 80 HG2 GLU 80 87.928 -12.198 -7.573 606 HG3 GLU 80 HG1 GLU 80 87.403 -12.902 -6.044 607 H LEU 81 HN LEU 81 84.471 -9.574 -5.107 608 HA LEU 81 HA LEU 81 86.447 -9.363 -2.940 609 HG LEU 81 HG LEU 81 85.880 -7.246 -1.620 610 HB2 LEU 81 HB2 LEU 81 86.217 -7.419 -4.290 611 HB3 LEU 81 HB1 LEU 81 84.461 -7.484 -4.234 612 HD11 LEU 81 HD11 LEU 81 86.006 -4.761 -1.911 613 HD12 LEU 81 HD12 LEU 81 85.636 -4.980 -3.621 614 HD13 LEU 81 HD13 LEU 81 87.130 -5.636 -2.952 615 HD21 LEU 81 HD21 LEU 81 83.271 -7.206 -2.411 616 HD22 LEU 81 HD22 LEU 81 83.633 -5.480 -2.403 617 HD23 LEU 81 HD23 LEU 81 83.856 -6.434 -0.937 618 H ALA 82 HN ALA 82 83.867 -11.109 -2.935 619 HA ALA 82 HA ALA 82 81.934 -10.227 -1.141 620 HB1 ALA 82 HB1 ALA 82 83.245 -12.959 -1.268 621 HB2 ALA 82 HB2 ALA 82 81.806 -12.439 -2.146 622 HB3 ALA 82 HB3 ALA 82 81.755 -12.610 -0.391 623 H GLN 83 HN GLN 83 84.590 -12.304 0.080 624 HA GLN 83 HA GLN 83 85.713 -12.227 2.144 625 HB2 GLN 83 HB2 GLN 83 86.326 -9.927 1.143 626 HB3 GLN 83 HB1 GLN 83 85.070 -9.272 2.193 627 HG2 GLN 83 HG2 GLN 83 87.154 -9.110 3.391 628 HG3 GLN 83 HG1 GLN 83 86.224 -10.412 4.133 629 HE21 GLN 83 HE21 GLN 83 88.482 -10.123 1.317 630 HE22 GLN 83 HE22 GLN 83 89.373 -11.513 1.710 631 H TYR 84 HN TYR 84 85.131 -12.399 4.346 632 HA TYR 84 HA TYR 84 83.639 -12.581 6.152 633 HD1 TYR 84 HD2 TYR 84 84.840 -10.676 7.498 634 HD2 TYR 84 HD1 TYR 84 83.461 -8.655 3.967 635 HE1 TYR 84 HE2 TYR 84 86.838 -9.208 7.557 636 HE2 TYR 84 HE1 TYR 84 85.459 -7.188 4.026 637 HH TYR 84 HH TYR 84 87.321 -6.663 5.102 638 HB2 TYR 84 HB2 TYR 84 82.097 -10.271 4.971 639 HB3 TYR 84 HB1 TYR 84 82.346 -10.676 6.669 640 H GLY 85 HN GLY 85 81.446 -11.328 3.629 641 HA2 GLY 85 HA2 GLY 85 80.335 -13.560 2.538 642 HA3 GLY 85 HA1 GLY 85 79.588 -13.544 4.136 643 H ILE 86 HN ILE 86 79.628 -10.571 4.231 644 HA ILE 86 HA ILE 86 78.020 -9.591 2.016 645 HB ILE 86 HB ILE 86 76.015 -9.169 3.644 646 HG12 ILE 86 HG12 ILE 86 77.300 -11.604 4.924 647 HG13 ILE 86 HG11 ILE 86 77.240 -9.998 5.652 648 HG21 ILE 86 HG21 ILE 86 74.915 -10.958 2.665 649 HG22 ILE 86 HG22 ILE 86 76.261 -12.066 2.930 650 HG23 ILE 86 HG23 ILE 86 76.341 -10.876 1.631 651 HD11 ILE 86 HD11 ILE 86 74.690 -10.135 5.330 652 HD12 ILE 86 HD12 ILE 86 75.390 -11.149 6.592 653 HD13 ILE 86 HD13 ILE 86 74.940 -11.857 5.041 654 H1U RCY 87 H1U RCY 87 81.436 -3.106 -3.213 655 H1S RCY 87 H1S RCY 87 80.173 -5.179 0.978 656 HB1 RCY 87 HB1 RCY 87 82.185 -6.706 4.060 657 HB2 RCY 87 HB2 RCY 87 81.593 -5.142 3.505 658 HA RCY 87 HA RCY 87 80.075 -6.646 5.051 659 HN1 RCY 87 HN1 RCY 87 80.182 -8.333 2.755 Start of MODEL 56 1 HA MET 1 HA MET 1 72.129 8.221 25.811 2 HB2 MET 1 HB2 MET 1 71.666 11.209 25.563 3 HB3 MET 1 HB1 MET 1 70.385 10.011 25.748 4 HG2 MET 1 HG2 MET 1 71.349 9.290 27.895 5 HG3 MET 1 HG1 MET 1 72.653 10.464 27.710 6 HE1 MET 1 HE1 MET 1 71.246 13.831 28.301 7 HE2 MET 1 HE2 MET 1 72.149 12.932 27.084 8 HE3 MET 1 HE3 MET 1 72.555 12.748 28.788 9 H ASN 2 HN ASN 2 71.348 7.222 24.020 10 HA ASN 2 HA ASN 2 70.701 8.681 21.597 11 HB2 ASN 2 HB2 ASN 2 72.317 7.255 20.184 12 HB3 ASN 2 HB1 ASN 2 73.018 8.604 21.079 13 HD21 ASN 2 HD21 ASN 2 74.904 8.013 22.145 14 HD22 ASN 2 HD22 ASN 2 75.223 6.477 22.793 15 H LEU 3 HN LEU 3 68.813 7.666 21.123 16 HA LEU 3 HA LEU 3 68.487 4.803 21.773 17 HG LEU 3 HG LEU 3 67.304 8.021 21.806 18 HB2 LEU 3 HB2 LEU 3 66.132 5.500 20.586 19 HB3 LEU 3 HB1 LEU 3 66.462 5.728 22.301 20 HD11 LEU 3 HD11 LEU 3 66.536 7.180 19.013 21 HD12 LEU 3 HD12 LEU 3 68.039 7.919 19.564 22 HD13 LEU 3 HD13 LEU 3 66.565 8.883 19.473 23 HD21 LEU 3 HD21 LEU 3 64.950 7.677 22.463 24 HD22 LEU 3 HD22 LEU 3 64.511 7.428 20.773 25 HD23 LEU 3 HD23 LEU 3 65.088 9.006 21.312 26 H GLU 4 HN GLU 4 68.668 3.210 20.274 27 HA GLU 4 HA GLU 4 68.594 3.975 17.384 28 HB2 GLU 4 HB2 GLU 4 70.932 3.568 18.283 29 HB3 GLU 4 HB1 GLU 4 70.445 1.896 18.569 30 HG2 GLU 4 HG2 GLU 4 69.929 1.604 16.197 31 HG3 GLU 4 HG1 GLU 4 70.310 3.297 15.882 32 HA PRO 5 HA PRO 5 65.241 0.971 17.321 33 HB2 PRO 5 HB2 PRO 5 66.367 0.586 14.565 34 HB3 PRO 5 HB1 PRO 5 64.676 0.768 15.074 35 HG2 PRO 5 HG2 PRO 5 66.035 2.790 13.988 36 HG3 PRO 5 HG1 PRO 5 64.844 3.052 15.272 37 HD2 PRO 5 HD2 PRO 5 67.804 3.246 15.400 38 HD3 PRO 5 HD1 PRO 5 66.577 4.010 16.435 39 HA PRO 6 HA PRO 6 68.164 -2.492 17.964 40 HB2 PRO 6 HB2 PRO 6 66.790 -3.726 19.949 41 HB3 PRO 6 HB1 PRO 6 67.771 -2.276 20.237 42 HG2 PRO 6 HG2 PRO 6 64.826 -2.541 19.983 43 HG3 PRO 6 HG1 PRO 6 65.780 -1.473 21.023 44 HD2 PRO 6 HD2 PRO 6 64.568 -0.706 18.626 45 HD3 PRO 6 HD1 PRO 6 65.890 0.169 19.427 46 H LYS 7 HN LYS 7 68.134 -4.552 17.070 47 HA LYS 7 HA LYS 7 66.117 -5.327 15.264 48 HB2 LYS 7 HB2 LYS 7 67.164 -7.582 15.341 49 HB3 LYS 7 HB1 LYS 7 68.362 -6.297 15.201 50 HG2 LYS 7 HG2 LYS 7 68.162 -6.479 17.909 51 HG3 LYS 7 HG1 LYS 7 67.841 -8.152 17.453 52 HD2 LYS 7 HD2 LYS 7 70.222 -7.946 17.737 53 HD3 LYS 7 HD1 LYS 7 69.916 -8.052 16.003 54 HE2 LYS 7 HE2 LYS 7 70.564 -5.894 15.621 55 HE3 LYS 7 HE1 LYS 7 69.886 -5.315 17.143 56 HZ1 LYS 7 HZ1 LYS 7 71.772 -5.793 18.279 57 HZ2 LYS 7 HZ2 LYS 7 72.470 -5.512 16.756 58 HZ3 LYS 7 HZ3 LYS 7 72.192 -7.102 17.284 59 H ALA 8 HN ALA 8 64.028 -5.337 16.089 60 HA ALA 8 HA ALA 8 63.139 -7.667 17.500 61 HB1 ALA 8 HB1 ALA 8 62.308 -6.382 19.559 62 HB2 ALA 8 HB2 ALA 8 63.448 -5.117 19.098 63 HB3 ALA 8 HB3 ALA 8 64.036 -6.730 19.503 64 H GLU 9 HN GLU 9 62.621 -5.488 15.328 65 HA GLU 9 HA GLU 9 59.697 -5.684 15.503 66 HB2 GLU 9 HB2 GLU 9 59.347 -3.237 15.290 67 HB3 GLU 9 HB1 GLU 9 60.125 -3.650 16.818 68 HG2 GLU 9 HG2 GLU 9 62.352 -3.260 15.517 69 HG3 GLU 9 HG1 GLU 9 61.337 -2.385 14.369 70 H1U RCY 10 H1U RCY 10 60.682 -10.537 6.953 71 H1S RCY 10 H1S RCY 10 62.693 -8.250 10.261 72 HB1 RCY 10 HB1 RCY 10 62.011 -5.867 11.306 73 HB2 RCY 10 HB2 RCY 10 61.098 -6.671 10.029 74 HA RCY 10 HA RCY 10 59.920 -4.708 11.151 75 HN1 RCY 10 HN1 RCY 10 59.098 -6.221 13.464 76 H ARG 11 HN ARG 11 57.437 -5.522 12.232 77 HA ARG 11 HA ARG 11 56.344 -7.883 11.087 78 HE ARG 11 HE ARG 11 55.070 -6.660 15.811 79 HB2 ARG 11 HB2 ARG 11 54.862 -5.274 11.509 80 HB3 ARG 11 HB1 ARG 11 54.180 -6.901 11.498 81 HG2 ARG 11 HG2 ARG 11 55.444 -7.480 13.511 82 HG3 ARG 11 HG1 ARG 11 56.219 -5.895 13.506 83 HD2 ARG 11 HD2 ARG 11 54.172 -4.778 13.990 84 HD3 ARG 11 HD1 ARG 11 53.215 -6.211 13.615 85 HH11 ARG 11 HH21 ARG 11 52.018 -5.390 14.830 86 HH12 ARG 11 HH22 ARG 11 51.284 -5.592 16.386 87 HH21 ARG 11 HH11 ARG 11 54.128 -6.931 17.849 88 HH22 ARG 11 HH12 ARG 11 52.479 -6.464 18.095 89 H SER 12 HN SER 12 57.692 -5.313 9.485 90 HA SER 12 HA SER 12 57.746 -4.807 7.190 91 HG SER 12 HG SER 12 57.937 -7.316 7.887 92 HB2 SER 12 HB2 SER 12 55.570 -6.768 6.574 93 HB3 SER 12 HB1 SER 12 57.046 -6.414 5.680 94 H ALA 13 HN ALA 13 54.389 -5.639 8.144 95 HA ALA 13 HA ALA 13 52.397 -4.439 7.794 96 HB1 ALA 13 HB1 ALA 13 53.490 -3.075 9.565 97 HB2 ALA 13 HB2 ALA 13 52.510 -2.088 8.481 98 HB3 ALA 13 HB3 ALA 13 54.265 -2.105 8.313 99 H THR 14 HN THR 14 52.662 -1.542 6.758 100 HA THR 14 HA THR 14 52.277 -2.209 3.960 101 HB THR 14 HB THR 14 52.665 0.543 5.171 102 HG1 THR 14 HG1 THR 14 50.142 0.076 4.830 103 HG21 THR 14 HG21 THR 14 51.257 1.236 3.264 104 HG22 THR 14 HG22 THR 14 51.195 -0.437 2.707 105 HG23 THR 14 HG23 THR 14 52.728 0.435 2.712 106 H ARG 15 HN ARG 15 54.390 -3.200 3.513 107 HA ARG 15 HA ARG 15 56.864 -1.808 3.801 108 HE ARG 15 HE ARG 15 55.373 -5.815 -0.906 109 HB2 ARG 15 HB2 ARG 15 57.608 -3.379 1.912 110 HB3 ARG 15 HB1 ARG 15 56.986 -4.144 3.373 111 HG2 ARG 15 HG2 ARG 15 54.823 -4.496 2.349 112 HG3 ARG 15 HG1 ARG 15 55.287 -3.548 0.936 113 HD2 ARG 15 HD2 ARG 15 57.147 -5.230 0.550 114 HD3 ARG 15 HD1 ARG 15 56.404 -6.226 1.801 115 HH11 ARG 15 HH21 ARG 15 54.720 -6.624 2.381 116 HH12 ARG 15 HH22 ARG 15 53.290 -7.529 2.013 117 HH21 ARG 15 HH11 ARG 15 53.509 -6.993 -1.406 118 HH22 ARG 15 HH12 ARG 15 52.605 -7.739 -0.130 119 H VAL 16 HN VAL 16 56.866 -2.521 0.562 120 HA VAL 16 HA VAL 16 55.630 -0.182 -0.566 121 HB VAL 16 HB VAL 16 57.339 1.086 0.556 122 HG11 VAL 16 HG11 VAL 16 58.845 -0.793 1.075 123 HG12 VAL 16 HG12 VAL 16 59.737 0.522 0.309 124 HG13 VAL 16 HG13 VAL 16 59.298 -0.908 -0.625 125 HG21 VAL 16 HG21 VAL 16 58.431 0.644 -2.230 126 HG22 VAL 16 HG22 VAL 16 58.403 2.141 -1.298 127 HG23 VAL 16 HG23 VAL 16 56.903 1.478 -1.948 128 H MET 17 HN MET 17 58.118 -2.678 -0.795 129 HA MET 17 HA MET 17 57.413 -2.990 -3.682 130 HB2 MET 17 HB2 MET 17 59.539 -1.825 -3.661 131 HB3 MET 17 HB1 MET 17 60.193 -2.952 -2.473 132 HG2 MET 17 HG2 MET 17 59.127 -4.033 -5.059 133 HG3 MET 17 HG1 MET 17 60.722 -3.280 -5.042 134 HE1 MET 17 HE1 MET 17 62.966 -5.426 -3.024 135 HE2 MET 17 HE2 MET 17 62.339 -3.786 -2.870 136 HE3 MET 17 HE3 MET 17 62.787 -4.406 -4.458 137 H GLY 18 HN GLY 18 57.368 -5.143 -4.387 138 HA2 GLY 18 HA2 GLY 18 58.280 -7.273 -2.553 139 HA3 GLY 18 HA1 GLY 18 56.549 -7.223 -2.890 140 H GLY 19 HN GLY 19 55.888 -8.397 -4.625 141 HA2 GLY 19 HA2 GLY 19 55.943 -9.363 -6.781 142 HA3 GLY 19 HA1 GLY 19 57.474 -8.534 -7.069 143 HA PRO 20 HA PRO 20 57.923 -12.937 -4.688 144 HB2 PRO 20 HB2 PRO 20 56.510 -14.198 -7.012 145 HB3 PRO 20 HB1 PRO 20 56.568 -14.713 -5.314 146 HG2 PRO 20 HG2 PRO 20 54.426 -13.499 -6.318 147 HG3 PRO 20 HG1 PRO 20 54.972 -13.185 -4.662 148 HD2 PRO 20 HD2 PRO 20 55.174 -11.436 -7.071 149 HD3 PRO 20 HD1 PRO 20 55.047 -10.986 -5.355 150 H1U RCY 21 H1U RCY 21 63.808 -5.809 -7.516 151 H1S RCY 21 H1S RCY 21 64.938 -10.351 -8.495 152 HB1 RCY 21 HB1 RCY 21 61.248 -10.977 -6.995 153 HB2 RCY 21 HB2 RCY 21 61.456 -11.688 -8.594 154 HA RCY 21 HA RCY 21 60.951 -13.770 -7.843 155 HN1 RCY 21 HN1 RCY 21 60.100 -12.562 -5.255 156 H THR 22 HN THR 22 63.275 -14.413 -7.780 157 HA THR 22 HA THR 22 64.391 -14.668 -5.035 158 HB THR 22 HB THR 22 64.606 -17.007 -5.132 159 HG1 THR 22 HG1 THR 22 65.409 -17.456 -7.066 160 HG21 THR 22 HG21 THR 22 62.383 -17.858 -5.615 161 HG22 THR 22 HG22 THR 22 62.037 -16.471 -6.647 162 HG23 THR 22 HG23 THR 22 62.229 -16.250 -4.908 163 HA PRO 23 HA PRO 23 68.275 -13.468 -6.779 164 HB2 PRO 23 HB2 PRO 23 69.300 -16.013 -5.562 165 HB3 PRO 23 HB1 PRO 23 69.966 -14.371 -5.464 166 HG2 PRO 23 HG2 PRO 23 68.573 -15.467 -3.455 167 HG3 PRO 23 HG1 PRO 23 68.515 -13.735 -3.813 168 HD2 PRO 23 HD2 PRO 23 66.420 -15.785 -4.199 169 HD3 PRO 23 HD1 PRO 23 66.260 -14.019 -4.089 170 H ARG 24 HN ARG 24 69.016 -13.761 -8.847 171 HA ARG 24 HA ARG 24 69.837 -16.235 -9.966 172 HE ARG 24 HE ARG 24 66.519 -17.318 -12.729 173 HB2 ARG 24 HB2 ARG 24 66.981 -15.857 -9.973 174 HB3 ARG 24 HB1 ARG 24 67.559 -15.797 -11.636 175 HG2 ARG 24 HG2 ARG 24 68.607 -17.945 -11.443 176 HG3 ARG 24 HG1 ARG 24 68.378 -17.971 -9.694 177 HD2 ARG 24 HD2 ARG 24 66.695 -19.389 -10.774 178 HD3 ARG 24 HD1 ARG 24 65.917 -17.987 -10.039 179 HH11 ARG 24 HH21 ARG 24 64.594 -19.491 -10.870 180 HH12 ARG 24 HH22 ARG 24 63.337 -19.603 -12.056 181 HH21 ARG 24 HH11 ARG 24 64.889 -17.452 -14.290 182 HH22 ARG 24 HH12 ARG 24 63.504 -18.449 -13.993 183 H LYS 25 HN LYS 25 68.591 -12.988 -10.453 184 HA LYS 25 HA LYS 25 69.360 -12.587 -13.153 185 HB2 LYS 25 HB2 LYS 25 69.659 -10.468 -11.020 186 HB3 LYS 25 HB1 LYS 25 69.206 -10.261 -12.711 187 HG2 LYS 25 HG2 LYS 25 67.551 -11.554 -10.527 188 HG3 LYS 25 HG1 LYS 25 67.197 -10.051 -11.380 189 HD2 LYS 25 HD2 LYS 25 67.198 -11.454 -13.529 190 HD3 LYS 25 HD1 LYS 25 67.150 -12.867 -12.474 191 HE2 LYS 25 HE2 LYS 25 65.134 -11.748 -11.340 192 HE3 LYS 25 HE1 LYS 25 65.103 -10.660 -12.728 193 HZ1 LYS 25 HZ1 LYS 25 64.763 -13.601 -12.709 194 HZ2 LYS 25 HZ2 LYS 25 65.091 -12.732 -14.132 195 HZ3 LYS 25 HZ3 LYS 25 63.669 -12.424 -13.254 196 H GLY 26 HN GLY 26 71.282 -13.215 -10.417 197 HA2 GLY 26 HA2 GLY 26 73.602 -13.168 -10.066 198 HA3 GLY 26 HA1 GLY 26 73.720 -13.362 -11.816 199 HA PRO 27 HA PRO 27 75.475 -9.195 -10.220 200 HB2 PRO 27 HB2 PRO 27 77.572 -10.131 -12.136 201 HB3 PRO 27 HB1 PRO 27 77.757 -9.311 -10.574 202 HG2 PRO 27 HG2 PRO 27 78.218 -11.920 -10.842 203 HG3 PRO 27 HG1 PRO 27 77.492 -11.249 -9.372 204 HD2 PRO 27 HD2 PRO 27 76.206 -12.828 -11.551 205 HD3 PRO 27 HD1 PRO 27 75.786 -12.732 -9.827 206 HA PRO 28 HA PRO 28 73.395 -7.330 -13.775 207 HB2 PRO 28 HB2 PRO 28 75.249 -5.097 -13.006 208 HB3 PRO 28 HB1 PRO 28 73.515 -5.040 -13.384 209 HG2 PRO 28 HG2 PRO 28 74.405 -4.951 -10.869 210 HG3 PRO 28 HG1 PRO 28 72.901 -5.783 -11.298 211 HD2 PRO 28 HD2 PRO 28 75.509 -6.941 -10.480 212 HD3 PRO 28 HD1 PRO 28 73.880 -7.642 -10.371 213 H LYS 29 HN LYS 29 74.099 -6.314 -15.880 214 HA LYS 29 HA LYS 29 76.148 -7.757 -17.170 215 HB2 LYS 29 HB2 LYS 29 74.302 -6.408 -18.269 216 HB3 LYS 29 HB1 LYS 29 75.258 -4.964 -17.935 217 HG2 LYS 29 HG2 LYS 29 77.154 -6.528 -19.088 218 HG3 LYS 29 HG1 LYS 29 75.717 -7.114 -19.928 219 HD2 LYS 29 HD2 LYS 29 76.492 -4.192 -19.684 220 HD3 LYS 29 HD1 LYS 29 76.800 -5.194 -21.103 221 HE2 LYS 29 HE2 LYS 29 74.410 -5.574 -21.405 222 HE3 LYS 29 HE1 LYS 29 74.053 -4.688 -19.923 223 HZ1 LYS 29 HZ1 LYS 29 74.391 -3.671 -22.504 224 HZ2 LYS 29 HZ2 LYS 29 75.667 -3.082 -21.549 225 HZ3 LYS 29 HZ3 LYS 29 74.057 -2.818 -21.076 226 H1U RCY 30 H1U RCY 30 80.591 0.142 -10.848 227 H1S RCY 30 H1S RCY 30 77.098 -2.104 -13.388 228 HB1 RCY 30 HB1 RCY 30 80.062 -4.593 -13.897 229 HB2 RCY 30 HB2 RCY 30 78.729 -5.605 -13.340 230 HA RCY 30 HA RCY 30 79.760 -5.452 -16.192 231 HN1 RCY 30 HN1 RCY 30 77.828 -7.518 -15.397 232 H LYS 31 HN LYS 31 81.851 -5.804 -14.819 233 HA LYS 31 HA LYS 31 82.094 -8.594 -13.846 234 HB2 LYS 31 HB2 LYS 31 82.691 -8.252 -16.393 235 HB3 LYS 31 HB1 LYS 31 84.167 -7.531 -15.753 236 HG2 LYS 31 HG2 LYS 31 83.130 -10.308 -15.103 237 HG3 LYS 31 HG1 LYS 31 84.490 -9.938 -16.163 238 HD2 LYS 31 HD2 LYS 31 85.384 -8.621 -14.060 239 HD3 LYS 31 HD1 LYS 31 84.295 -9.693 -13.179 240 HE2 LYS 31 HE2 LYS 31 85.394 -11.618 -14.469 241 HE3 LYS 31 HE1 LYS 31 86.633 -10.453 -14.937 242 HZ1 LYS 31 HZ1 LYS 31 85.855 -10.879 -12.114 243 HZ2 LYS 31 HZ2 LYS 31 87.248 -10.116 -12.718 244 HZ3 LYS 31 HZ3 LYS 31 87.068 -11.799 -12.862 245 H GLN 32 HN GLN 32 83.071 -8.439 -11.902 246 HA GLN 32 HA GLN 32 84.123 -7.353 -10.084 247 HB2 GLN 32 HB2 GLN 32 86.430 -7.653 -10.226 248 HB3 GLN 32 HB1 GLN 32 85.842 -8.737 -11.479 249 HG2 GLN 32 HG2 GLN 32 87.081 -7.617 -13.000 250 HG3 GLN 32 HG1 GLN 32 86.125 -6.170 -12.679 251 HE21 GLN 32 HE21 GLN 32 89.191 -6.711 -13.058 252 HE22 GLN 32 HE22 GLN 32 89.889 -5.871 -11.759 253 H ARG 33 HN ARG 33 86.337 -5.477 -10.251 254 HA ARG 33 HA ARG 33 84.785 -3.031 -10.443 255 HE ARG 33 HE ARG 33 88.316 -2.626 -7.915 256 HB2 ARG 33 HB2 ARG 33 86.757 -3.493 -8.865 257 HB3 ARG 33 HB1 ARG 33 87.798 -3.211 -10.261 258 HG2 ARG 33 HG2 ARG 33 86.397 -1.013 -10.532 259 HG3 ARG 33 HG1 ARG 33 85.985 -1.279 -8.837 260 HD2 ARG 33 HD2 ARG 33 88.642 -0.653 -10.066 261 HD3 ARG 33 HD1 ARG 33 87.914 -0.017 -8.591 262 HH11 ARG 33 HH21 ARG 33 90.266 -0.246 -9.469 263 HH12 ARG 33 HH22 ARG 33 91.760 -0.886 -8.871 264 HH21 ARG 33 HH11 ARG 33 90.255 -3.477 -7.125 265 HH22 ARG 33 HH12 ARG 33 91.754 -2.716 -7.543 266 H GLN 34 HN GLN 34 84.265 -2.201 -12.415 267 HA GLN 34 HA GLN 34 86.403 -1.652 -14.342 268 HB2 GLN 34 HB2 GLN 34 85.476 -4.063 -14.742 269 HB3 GLN 34 HB1 GLN 34 84.060 -3.234 -15.388 270 HG2 GLN 34 HG2 GLN 34 85.467 -3.580 -17.271 271 HG3 GLN 34 HG1 GLN 34 85.712 -1.889 -16.831 272 HE21 GLN 34 HE21 GLN 34 87.752 -1.312 -15.766 273 HE22 GLN 34 HE22 GLN 34 89.086 -2.361 -15.803 274 H THR 35 HN THR 35 83.996 -1.610 -16.362 275 HA THR 35 HA THR 35 82.650 0.118 -17.202 276 HB THR 35 HB THR 35 80.955 0.945 -15.657 277 HG1 THR 35 HG1 THR 35 81.188 0.534 -13.441 278 HG21 THR 35 HG21 THR 35 80.028 -1.147 -14.960 279 HG22 THR 35 HG22 THR 35 81.624 -1.887 -14.835 280 HG23 THR 35 HG23 THR 35 80.960 -1.486 -16.419 281 H ARG 36 HN ARG 36 82.952 1.805 -14.135 282 HA ARG 36 HA ARG 36 84.403 3.981 -15.566 283 HE ARG 36 HE ARG 36 82.649 3.763 -16.994 284 HB2 ARG 36 HB2 ARG 36 82.863 3.962 -12.956 285 HB3 ARG 36 HB1 ARG 36 83.702 5.370 -13.602 286 HG2 ARG 36 HG2 ARG 36 81.544 3.854 -15.096 287 HG3 ARG 36 HG1 ARG 36 81.252 5.322 -14.163 288 HD2 ARG 36 HD2 ARG 36 81.634 6.300 -16.208 289 HD3 ARG 36 HD1 ARG 36 83.306 6.191 -15.660 290 HH11 ARG 36 HH21 ARG 36 83.075 7.138 -17.555 291 HH12 ARG 36 HH22 ARG 36 83.604 6.935 -19.192 292 HH21 ARG 36 HH11 ARG 36 83.338 3.478 -19.129 293 HH22 ARG 36 HH12 ARG 36 83.753 4.863 -20.083 294 H GLN 37 HN GLN 37 85.192 1.365 -13.763 295 HA GLN 37 HA GLN 37 87.080 0.780 -12.508 296 HB2 GLN 37 HB2 GLN 37 88.197 1.995 -14.433 297 HB3 GLN 37 HB1 GLN 37 88.217 3.436 -13.416 298 HG2 GLN 37 HG2 GLN 37 89.559 2.303 -11.740 299 HG3 GLN 37 HG1 GLN 37 89.432 0.777 -12.617 300 HE21 GLN 37 HE21 GLN 37 91.629 3.138 -12.048 301 HE22 GLN 37 HE22 GLN 37 92.476 3.131 -13.519 302 H1U RCY 38 H1U RCY 38 82.560 6.818 -4.791 303 H1S RCY 38 H1S RCY 38 84.039 6.912 -8.773 304 HB1 RCY 38 HB1 RCY 38 85.483 4.762 -8.382 305 HB2 RCY 38 HB2 RCY 38 85.233 3.351 -9.408 306 HA RCY 38 HA RCY 38 87.021 5.656 -10.210 307 HN1 RCY 38 HN1 RCY 38 87.082 4.338 -12.144 308 H LYS 39 HN LYS 39 88.875 5.853 -9.107 309 HA LYS 39 HA LYS 39 90.755 4.033 -8.363 310 HB2 LYS 39 HB2 LYS 39 89.804 6.445 -6.803 311 HB3 LYS 39 HB1 LYS 39 91.241 5.527 -6.357 312 HG2 LYS 39 HG2 LYS 39 91.945 7.382 -7.747 313 HG3 LYS 39 HG1 LYS 39 92.117 5.900 -8.688 314 HD2 LYS 39 HD2 LYS 39 90.267 6.376 -10.029 315 HD3 LYS 39 HD1 LYS 39 89.547 7.448 -8.827 316 HE2 LYS 39 HE2 LYS 39 91.305 9.114 -9.232 317 HE3 LYS 39 HE1 LYS 39 92.071 8.039 -10.402 318 HZ1 LYS 39 HZ1 LYS 39 89.241 8.712 -10.760 319 HZ2 LYS 39 HZ2 LYS 39 90.427 8.364 -11.925 320 HZ3 LYS 39 HZ3 LYS 39 90.401 9.882 -11.163 321 H SER 40 HN SER 40 90.922 2.341 -6.976 322 HA SER 40 HA SER 40 88.736 1.147 -5.694 323 HG SER 40 HG SER 40 91.756 1.173 -3.612 324 HB2 SER 40 HB2 SER 40 90.342 -0.190 -4.463 325 HB3 SER 40 HB1 SER 40 90.986 0.085 -6.079 326 H LYS 41 HN LYS 41 91.223 3.243 -4.194 327 HA LYS 41 HA LYS 41 89.819 3.366 -1.667 328 HB2 LYS 41 HB2 LYS 41 91.413 5.433 -1.394 329 HB3 LYS 41 HB1 LYS 41 92.109 3.814 -1.458 330 HG2 LYS 41 HG2 LYS 41 92.759 4.066 -3.731 331 HG3 LYS 41 HG1 LYS 41 91.740 5.489 -3.945 332 HD2 LYS 41 HD2 LYS 41 93.161 6.711 -2.299 333 HD3 LYS 41 HD1 LYS 41 94.218 5.302 -2.206 334 HE2 LYS 41 HE2 LYS 41 93.721 7.111 -4.572 335 HE3 LYS 41 HE1 LYS 41 95.258 6.715 -3.801 336 HZ1 LYS 41 HZ1 LYS 41 93.534 4.858 -5.350 337 HZ2 LYS 41 HZ2 LYS 41 94.958 4.412 -4.538 338 HZ3 LYS 41 HZ3 LYS 41 95.026 5.495 -5.846 339 HA PRO 42 HA PRO 42 86.914 6.415 -3.244 340 HB2 PRO 42 HB2 PRO 42 85.418 6.724 -0.995 341 HB3 PRO 42 HB1 PRO 42 85.306 5.282 -2.023 342 HG2 PRO 42 HG2 PRO 42 86.748 5.650 0.554 343 HG3 PRO 42 HG1 PRO 42 85.824 4.258 -0.036 344 HD2 PRO 42 HD2 PRO 42 88.582 4.407 -0.102 345 HD3 PRO 42 HD1 PRO 42 87.618 3.398 -1.202 346 HA PRO 43 HA PRO 43 88.663 10.233 -1.738 347 HB2 PRO 43 HB2 PRO 43 86.834 12.014 -2.663 348 HB3 PRO 43 HB1 PRO 43 87.923 11.127 -3.748 349 HG2 PRO 43 HG2 PRO 43 85.062 10.601 -3.114 350 HG3 PRO 43 HG1 PRO 43 85.911 10.506 -4.666 351 HD2 PRO 43 HD2 PRO 43 85.327 8.303 -3.117 352 HD3 PRO 43 HD1 PRO 43 86.684 8.369 -4.262 353 H LYS 44 HN LYS 44 88.147 12.114 -0.288 354 HA LYS 44 HA LYS 44 86.563 11.261 1.988 355 HB2 LYS 44 HB2 LYS 44 87.722 14.005 1.410 356 HB3 LYS 44 HB1 LYS 44 87.212 13.392 2.982 357 HG2 LYS 44 HG2 LYS 44 89.332 11.994 1.346 358 HG3 LYS 44 HG1 LYS 44 89.732 13.295 2.469 359 HD2 LYS 44 HD2 LYS 44 88.464 11.981 4.246 360 HD3 LYS 44 HD1 LYS 44 88.439 10.635 3.106 361 HE2 LYS 44 HE2 LYS 44 90.919 10.732 2.972 362 HE3 LYS 44 HE1 LYS 44 90.915 12.023 4.174 363 HZ1 LYS 44 HZ1 LYS 44 89.481 10.269 5.476 364 HZ2 LYS 44 HZ2 LYS 44 91.179 10.233 5.523 365 HZ3 LYS 44 HZ3 LYS 44 90.332 9.175 4.498 366 H LYS 45 HN LYS 45 85.523 14.001 2.545 367 HA LYS 45 HA LYS 45 83.008 13.717 1.010 368 HB2 LYS 45 HB2 LYS 45 83.804 15.383 3.409 369 HB3 LYS 45 HB1 LYS 45 82.239 15.544 2.611 370 HG2 LYS 45 HG2 LYS 45 81.629 13.300 3.128 371 HG3 LYS 45 HG1 LYS 45 83.279 12.880 3.588 372 HD2 LYS 45 HD2 LYS 45 81.794 13.235 5.564 373 HD3 LYS 45 HD1 LYS 45 83.157 14.354 5.528 374 HE2 LYS 45 HE2 LYS 45 81.807 16.158 4.808 375 HE3 LYS 45 HE1 LYS 45 80.494 15.089 4.315 376 HZ1 LYS 45 HZ1 LYS 45 80.905 16.307 6.806 377 HZ2 LYS 45 HZ2 LYS 45 81.015 14.625 7.017 378 HZ3 LYS 45 HZ3 LYS 45 79.623 15.307 6.321 379 H GLY 46 HN GLY 46 83.946 14.482 -1.034 380 HA2 GLY 46 HA2 GLY 46 84.680 17.365 -1.082 381 HA3 GLY 46 HA1 GLY 46 84.959 16.220 -2.395 382 H VAL 47 HN VAL 47 83.814 17.228 -4.037 383 HA VAL 47 HA VAL 47 80.861 17.273 -3.711 384 HB VAL 47 HB VAL 47 82.211 19.586 -5.084 385 HG11 VAL 47 HG11 VAL 47 79.754 19.161 -5.301 386 HG12 VAL 47 HG12 VAL 47 80.118 20.705 -4.531 387 HG13 VAL 47 HG13 VAL 47 79.606 19.331 -3.551 388 HG21 VAL 47 HG21 VAL 47 83.248 19.632 -2.913 389 HG22 VAL 47 HG22 VAL 47 81.726 19.240 -2.112 390 HG23 VAL 47 HG23 VAL 47 81.943 20.817 -2.873 391 H GLN 48 HN GLN 48 82.667 15.483 -5.116 392 HA GLN 48 HA GLN 48 83.036 15.957 -7.842 393 HB2 GLN 48 HB2 GLN 48 82.384 13.489 -6.258 394 HB3 GLN 48 HB1 GLN 48 82.397 13.394 -8.019 395 HG2 GLN 48 HG2 GLN 48 84.612 12.852 -6.915 396 HG3 GLN 48 HG1 GLN 48 84.684 14.138 -8.120 397 HE21 GLN 48 HE21 GLN 48 85.978 15.822 -7.387 398 HE22 GLN 48 HE22 GLN 48 86.056 16.369 -5.782 399 H GLY 49 HN GLY 49 81.604 14.756 -9.604 400 HA2 GLY 49 HA2 GLY 49 79.022 16.102 -9.565 401 HA3 GLY 49 HA1 GLY 49 79.636 15.084 -10.867 402 H1U RCY 50 H1U RCY 50 79.457 6.489 -2.040 403 H1S RCY 50 H1S RCY 50 79.593 8.826 -5.400 404 HB1 RCY 50 HB1 RCY 50 80.074 11.590 -6.886 405 HB2 RCY 50 HB2 RCY 50 79.319 10.216 -7.690 406 HA RCY 50 HA RCY 50 77.827 11.544 -8.764 407 HN1 RCY 50 HN1 RCY 50 79.984 13.345 -8.058 408 H GLY 51 HN GLY 51 78.120 14.289 -6.662 409 HA2 GLY 51 HA2 GLY 51 76.262 15.448 -5.695 410 HA3 GLY 51 HA1 GLY 51 75.263 14.017 -5.958 411 H ASP 52 HN ASP 52 77.316 15.670 -3.725 412 HA ASP 52 HA ASP 52 77.050 13.404 -1.781 413 HB2 ASP 52 HB2 ASP 52 79.095 15.621 -2.024 414 HB3 ASP 52 HB1 ASP 52 78.933 14.635 -0.570 415 H ASP 53 HN ASP 53 74.864 15.146 -2.222 416 HA ASP 53 HA ASP 53 74.595 16.272 0.484 417 HB2 ASP 53 HB2 ASP 53 75.550 18.178 -0.694 418 HB3 ASP 53 HB1 ASP 53 74.382 17.996 -2.003 419 H ILE 54 HN ILE 54 73.252 15.322 -2.597 420 HA ILE 54 HA ILE 54 70.492 15.853 -1.840 421 HB ILE 54 HB ILE 54 70.063 14.299 -3.868 422 HG12 ILE 54 HG12 ILE 54 73.012 14.805 -4.318 423 HG13 ILE 54 HG11 ILE 54 72.412 13.297 -3.628 424 HG21 ILE 54 HG21 ILE 54 69.957 16.750 -3.997 425 HG22 ILE 54 HG22 ILE 54 70.729 16.099 -5.442 426 HG23 ILE 54 HG23 ILE 54 71.710 16.829 -4.172 427 HD11 ILE 54 HD11 ILE 54 71.643 14.459 -6.322 428 HD12 ILE 54 HD12 ILE 54 70.958 12.991 -5.623 429 HD13 ILE 54 HD13 ILE 54 72.668 13.050 -6.051 430 HA PRO 55 HA PRO 55 70.086 12.098 0.551 431 HB2 PRO 55 HB2 PRO 55 67.387 12.079 0.869 432 HB3 PRO 55 HB1 PRO 55 68.431 13.249 1.700 433 HG2 PRO 55 HG2 PRO 55 66.771 13.617 -0.746 434 HG3 PRO 55 HG1 PRO 55 67.021 14.713 0.624 435 HD2 PRO 55 HD2 PRO 55 68.337 14.974 -1.780 436 HD3 PRO 55 HD1 PRO 55 68.999 15.547 -0.233 437 H GLY 56 HN GLY 56 70.382 11.673 -2.285 438 HA2 GLY 56 HA2 GLY 56 69.872 10.097 -3.953 439 HA3 GLY 56 HA1 GLY 56 69.418 9.053 -2.605 440 H MET 57 HN MET 57 68.117 11.808 -4.482 441 HA MET 57 HA MET 57 65.385 11.326 -3.740 442 HB2 MET 57 HB2 MET 57 64.852 12.776 -5.704 443 HB3 MET 57 HB1 MET 57 66.066 13.485 -4.640 444 HG2 MET 57 HG2 MET 57 67.392 13.691 -6.457 445 HG3 MET 57 HG1 MET 57 67.543 11.934 -6.443 446 HE1 MET 57 HE1 MET 57 66.571 14.866 -8.779 447 HE2 MET 57 HE2 MET 57 65.565 14.920 -7.333 448 HE3 MET 57 HE3 MET 57 64.825 14.617 -8.903 449 H GLU 58 HN GLU 58 65.660 8.870 -4.086 450 HA GLU 58 HA GLU 58 65.083 8.153 -6.938 451 HB2 GLU 58 HB2 GLU 58 66.278 6.564 -4.657 452 HB3 GLU 58 HB1 GLU 58 65.694 5.805 -6.138 453 HG2 GLU 58 HG2 GLU 58 67.213 7.296 -7.449 454 HG3 GLU 58 HG1 GLU 58 67.857 7.920 -5.930 455 H GLY 59 HN GLY 59 64.357 6.707 -3.745 456 HA2 GLY 59 HA2 GLY 59 61.602 7.165 -3.660 457 HA3 GLY 59 HA1 GLY 59 61.797 5.715 -4.645 458 H1U RCY 60 H1U RCY 60 70.990 4.868 -1.761 459 H1S RCY 60 H1S RCY 60 67.354 3.580 -4.110 460 HB1 RCY 60 HB1 RCY 60 65.436 3.035 -0.285 461 HB2 RCY 60 HB2 RCY 60 65.936 4.599 -0.927 462 HA RCY 60 HA RCY 60 63.194 3.326 -1.154 463 HN1 RCY 60 HN1 RCY 60 64.350 5.216 -2.953 464 H GLY 61 HN GLY 61 65.383 5.707 0.240 465 HA2 GLY 61 HA2 GLY 61 63.914 7.542 1.551 466 HA3 GLY 61 HA1 GLY 61 63.463 6.094 2.450 467 H THR 62 HN THR 62 66.082 8.317 1.734 468 HA THR 62 HA THR 62 68.037 6.872 3.356 469 HB THR 62 HB THR 62 69.535 8.598 2.807 470 HG1 THR 62 HG1 THR 62 67.243 10.127 2.996 471 HG21 THR 62 HG21 THR 62 68.614 7.421 0.793 472 HG22 THR 62 HG22 THR 62 69.202 9.047 0.447 473 HG23 THR 62 HG23 THR 62 67.470 8.749 0.594 474 H ASP 63 HN ASP 63 67.133 6.648 5.430 475 HA ASP 63 HA ASP 63 65.874 8.827 6.838 476 HB2 ASP 63 HB2 ASP 63 65.657 6.291 7.276 477 HB3 ASP 63 HB1 ASP 63 67.170 6.448 8.169 478 H ILE 64 HN ILE 64 69.152 8.163 6.160 479 HA ILE 64 HA ILE 64 69.961 10.076 8.309 480 HB ILE 64 HB ILE 64 71.138 7.437 7.566 481 HG12 ILE 64 HG12 ILE 64 71.026 9.015 10.156 482 HG13 ILE 64 HG11 ILE 64 69.828 7.819 9.660 483 HG21 ILE 64 HG21 ILE 64 72.976 8.887 6.999 484 HG22 ILE 64 HG22 ILE 64 73.314 8.225 8.598 485 HG23 ILE 64 HG23 ILE 64 72.712 9.875 8.435 486 HD11 ILE 64 HD11 ILE 64 71.391 6.038 9.785 487 HD12 ILE 64 HD12 ILE 64 71.702 7.005 11.227 488 HD13 ILE 64 HD13 ILE 64 72.766 7.142 9.827 489 H THR 65 HN THR 65 70.135 9.131 5.000 490 HA THR 65 HA THR 65 70.839 10.478 3.189 491 HB THR 65 HB THR 65 72.509 12.255 4.919 492 HG1 THR 65 HG1 THR 65 70.857 13.067 5.938 493 HG21 THR 65 HG21 THR 65 72.121 12.413 2.370 494 HG22 THR 65 HG22 THR 65 71.928 13.890 3.314 495 HG23 THR 65 HG23 THR 65 70.507 12.989 2.786 496 H VAL 66 HN VAL 66 73.309 10.146 5.774 497 HA VAL 66 HA VAL 66 75.285 9.421 3.694 498 HB VAL 66 HB VAL 66 76.831 9.221 5.768 499 HG11 VAL 66 HG11 VAL 66 76.850 11.113 4.169 500 HG12 VAL 66 HG12 VAL 66 77.145 11.661 5.819 501 HG13 VAL 66 HG13 VAL 66 75.558 11.889 5.085 502 HG21 VAL 66 HG21 VAL 66 75.975 10.619 7.693 503 HG22 VAL 66 HG22 VAL 66 75.143 9.076 7.497 504 HG23 VAL 66 HG23 VAL 66 74.380 10.566 6.942 505 H ILE 67 HN ILE 67 74.264 7.921 6.823 506 HA ILE 67 HA ILE 67 74.386 5.298 5.410 507 HB ILE 67 HB ILE 67 75.665 5.970 8.071 508 HG12 ILE 67 HG12 ILE 67 76.852 4.758 5.559 509 HG13 ILE 67 HG11 ILE 67 76.906 6.484 5.920 510 HG21 ILE 67 HG21 ILE 67 74.974 3.345 6.762 511 HG22 ILE 67 HG22 ILE 67 74.726 3.841 8.436 512 HG23 ILE 67 HG23 ILE 67 76.350 3.470 7.858 513 HD11 ILE 67 HD11 ILE 67 78.094 6.016 8.026 514 HD12 ILE 67 HD12 ILE 67 78.980 5.357 6.651 515 HD13 ILE 67 HD13 ILE 67 78.031 4.287 7.683 516 H1U RCY 68 H1U RCY 68 71.549 3.197 -0.465 517 H1S RCY 68 H1S RCY 68 71.883 4.488 3.369 518 HB1 RCY 68 HB1 RCY 68 68.751 5.257 6.337 519 HB2 RCY 68 HB2 RCY 68 69.407 3.718 5.780 520 HA RCY 68 HA RCY 68 70.474 5.578 7.783 521 HN1 RCY 68 HN1 RCY 68 72.079 5.273 5.417 522 HA PRO 69 HA PRO 69 71.089 1.813 9.993 523 HB2 PRO 69 HB2 PRO 69 68.435 0.999 10.407 524 HB3 PRO 69 HB1 PRO 69 69.339 2.134 11.425 525 HG2 PRO 69 HG2 PRO 69 67.348 2.680 9.299 526 HG3 PRO 69 HG1 PRO 69 67.662 3.550 10.809 527 HD2 PRO 69 HD2 PRO 69 68.485 4.511 8.409 528 HD3 PRO 69 HD1 PRO 69 69.424 4.774 9.897 529 H TRP 70 HN TRP 70 68.952 1.712 7.193 530 HA TRP 70 HA TRP 70 68.887 -1.176 6.984 531 HD1 TRP 70 HD1 TRP 70 67.455 -2.665 5.913 532 HE1 TRP 70 HE1 TRP 70 67.269 -4.129 3.801 533 HE3 TRP 70 HE3 TRP 70 68.568 0.804 2.335 534 HZ2 TRP 70 HZ2 TRP 70 67.555 -3.864 0.963 535 HZ3 TRP 70 HZ3 TRP 70 68.605 0.174 -0.058 536 HH2 TRP 70 HH2 TRP 70 68.101 -2.151 -0.750 537 HB2 TRP 70 HB2 TRP 70 67.219 0.309 5.876 538 HB3 TRP 70 HB1 TRP 70 68.491 0.905 4.810 539 H GLU 71 HN GLU 71 71.483 -0.602 7.514 540 HA GLU 71 HA GLU 71 72.848 -1.215 4.926 541 HB2 GLU 71 HB2 GLU 71 73.379 0.959 6.876 542 HB3 GLU 71 HB1 GLU 71 74.807 0.077 6.331 543 HG2 GLU 71 HG2 GLU 71 72.755 1.071 4.357 544 HG3 GLU 71 HG1 GLU 71 74.044 2.127 4.935 545 H ALA 72 HN ALA 72 72.716 -1.565 8.431 546 HA ALA 72 HA ALA 72 75.018 -3.301 8.645 547 HB1 ALA 72 HB1 ALA 72 74.083 -2.105 10.592 548 HB2 ALA 72 HB2 ALA 72 74.106 -3.845 10.875 549 HB3 ALA 72 HB3 ALA 72 72.595 -3.041 10.453 550 H1U RCY 73 H1U RCY 73 76.934 -3.329 5.294 551 H1S RCY 73 H1S RCY 73 74.176 -6.528 4.941 552 HB1 RCY 73 HB1 RCY 73 71.511 -4.674 5.202 553 HB2 RCY 73 HB2 RCY 73 70.448 -6.015 5.621 554 HA RCY 73 HA RCY 73 71.698 -6.428 7.451 555 HN1 RCY 73 HN1 RCY 73 72.996 -3.970 6.549 556 H ASN 74 HN ASN 74 74.549 -5.588 5.500 557 HA ASN 74 HA ASN 74 76.313 -6.939 4.728 558 HB2 ASN 74 HB2 ASN 74 75.658 -8.601 7.174 559 HB3 ASN 74 HB1 ASN 74 77.219 -8.457 6.365 560 HD21 ASN 74 HD21 ASN 74 77.758 -7.781 8.772 561 HD22 ASN 74 HD22 ASN 74 77.640 -6.123 9.115 562 H HIS 75 HN HIS 75 76.099 -9.945 5.700 563 HA HIS 75 HA HIS 75 75.495 -11.940 4.619 564 HD1 HIS 75 HD1 HIS 75 74.786 -13.345 3.223 565 HD2 HIS 75 HD2 HIS 75 70.770 -12.436 3.891 566 HE1 HIS 75 HE1 HIS 75 73.443 -15.186 2.118 567 HE2 HIS 75 HE2 HIS 75 70.996 -14.645 2.517 568 HB2 HIS 75 HB2 HIS 75 73.313 -11.391 5.613 569 HB3 HIS 75 HB1 HIS 75 72.921 -10.381 4.222 570 H1U RCY 76 H1U RCY 76 80.113 -5.388 2.082 571 H1S RCY 76 H1S RCY 76 79.255 -8.401 -0.634 572 HB1 RCY 76 HB1 RCY 76 76.974 -9.097 1.152 573 HB2 RCY 76 HB2 RCY 76 75.469 -9.440 0.303 574 HA RCY 76 HA RCY 76 75.874 -11.765 0.268 575 HN1 RCY 76 HN1 RCY 76 77.007 -11.664 2.873 576 H GLU 77 HN GLU 77 77.637 -11.828 -1.399 577 HA GLU 77 HA GLU 77 79.854 -13.383 -0.431 578 HB2 GLU 77 HB2 GLU 77 78.679 -13.383 -2.770 579 HB3 GLU 77 HB1 GLU 77 79.825 -12.099 -3.153 580 HG2 GLU 77 HG2 GLU 77 81.703 -13.556 -2.567 581 HG3 GLU 77 HG1 GLU 77 80.587 -14.835 -2.088 582 H LEU 78 HN LEU 78 79.924 -10.886 0.891 583 HA LEU 78 HA LEU 78 82.667 -10.147 0.448 584 HG LEU 78 HG LEU 78 79.582 -8.382 0.308 585 HB2 LEU 78 HB2 LEU 78 82.429 -7.912 -0.400 586 HB3 LEU 78 HB1 LEU 78 81.538 -8.976 -1.485 587 HD11 LEU 78 HD11 LEU 78 81.293 -6.805 1.412 588 HD12 LEU 78 HD12 LEU 78 79.710 -6.124 1.035 589 HD13 LEU 78 HD13 LEU 78 81.089 -5.783 -0.011 590 HD21 LEU 78 HD21 LEU 78 80.381 -6.690 -2.083 591 HD22 LEU 78 HD22 LEU 78 78.768 -6.775 -1.376 592 HD23 LEU 78 HD23 LEU 78 79.462 -8.193 -2.160 593 H HIS 79 HN HIS 79 83.437 -9.345 2.357 594 HA HIS 79 HA HIS 79 82.086 -7.546 4.080 595 HD1 HIS 79 HD1 HIS 79 83.651 -11.075 4.314 596 HD2 HIS 79 HD2 HIS 79 79.522 -11.643 4.157 597 HE1 HIS 79 HE1 HIS 79 83.286 -13.455 3.529 598 HE2 HIS 79 HE2 HIS 79 80.776 -13.814 3.430 599 HB2 HIS 79 HB2 HIS 79 81.663 -9.388 5.929 600 HB3 HIS 79 HB1 HIS 79 80.439 -9.072 4.700 601 H GLU 80 HN GLU 80 84.427 -6.983 3.861 602 HA GLU 80 HA GLU 80 86.308 -8.700 5.357 603 HB2 GLU 80 HB2 GLU 80 86.689 -6.033 3.959 604 HB3 GLU 80 HB1 GLU 80 87.981 -6.978 4.701 605 HG2 GLU 80 HG2 GLU 80 86.164 -8.142 2.587 606 HG3 GLU 80 HG1 GLU 80 87.649 -7.283 2.174 607 H LEU 81 HN LEU 81 86.238 -5.173 5.525 608 HA LEU 81 HA LEU 81 86.190 -5.397 8.494 609 HG LEU 81 HG LEU 81 86.642 -3.497 5.490 610 HB2 LEU 81 HB2 LEU 81 86.688 -2.752 8.005 611 HB3 LEU 81 HB1 LEU 81 87.949 -3.973 8.158 612 HD11 LEU 81 HD11 LEU 81 87.332 -1.277 6.152 613 HD12 LEU 81 HD12 LEU 81 88.535 -1.895 5.021 614 HD13 LEU 81 HD13 LEU 81 88.876 -1.884 6.751 615 HD21 LEU 81 HD21 LEU 81 89.540 -4.074 5.924 616 HD22 LEU 81 HD22 LEU 81 88.455 -4.664 4.665 617 HD23 LEU 81 HD23 LEU 81 88.394 -5.366 6.282 618 H ALA 82 HN ALA 82 83.805 -5.606 6.666 619 HA ALA 82 HA ALA 82 82.175 -3.350 6.577 620 HB1 ALA 82 HB1 ALA 82 80.261 -4.871 6.717 621 HB2 ALA 82 HB2 ALA 82 81.289 -6.132 7.399 622 HB3 ALA 82 HB3 ALA 82 81.529 -5.602 5.734 623 H GLN 83 HN GLN 83 82.672 -2.012 8.406 624 HA GLN 83 HA GLN 83 81.038 -2.651 10.775 625 HB2 GLN 83 HB2 GLN 83 84.038 -2.256 10.881 626 HB3 GLN 83 HB1 GLN 83 82.995 -2.085 12.291 627 HG2 GLN 83 HG2 GLN 83 82.138 -4.418 11.832 628 HG3 GLN 83 HG1 GLN 83 83.394 -4.568 10.603 629 HE21 GLN 83 HE21 GLN 83 84.744 -2.582 12.878 630 HE22 GLN 83 HE22 GLN 83 85.512 -3.739 13.854 631 H TYR 84 HN TYR 84 83.631 -0.369 9.800 632 HA TYR 84 HA TYR 84 81.724 1.857 9.749 633 HD1 TYR 84 HD1 TYR 84 80.294 2.487 12.010 634 HD2 TYR 84 HD2 TYR 84 83.613 0.008 13.144 635 HE1 TYR 84 HE1 TYR 84 78.835 1.259 13.596 636 HE2 TYR 84 HE2 TYR 84 82.155 -1.220 14.730 637 HH TYR 84 HH TYR 84 79.235 -1.510 14.692 638 HB2 TYR 84 HB2 TYR 84 83.971 1.921 11.775 639 HB3 TYR 84 HB1 TYR 84 82.707 3.129 11.549 640 H GLY 85 HN GLY 85 82.785 1.623 7.529 641 HA2 GLY 85 HA2 GLY 85 84.506 3.706 6.934 642 HA3 GLY 85 HA1 GLY 85 85.592 2.364 7.295 643 H ILE 86 HN ILE 86 84.573 0.200 6.176 644 HA ILE 86 HA ILE 86 84.836 0.721 3.331 645 HB ILE 86 HB ILE 86 85.624 -1.376 4.543 646 HG12 ILE 86 HG12 ILE 86 83.821 -1.605 2.115 647 HG13 ILE 86 HG11 ILE 86 85.565 -1.340 2.122 648 HG21 ILE 86 HG21 ILE 86 84.143 -2.762 5.545 649 HG22 ILE 86 HG22 ILE 86 83.048 -2.709 4.163 650 HG23 ILE 86 HG23 ILE 86 82.977 -1.447 5.393 651 HD11 ILE 86 HD11 ILE 86 84.029 -3.840 2.756 652 HD12 ILE 86 HD12 ILE 86 85.609 -3.585 3.497 653 HD13 ILE 86 HD13 ILE 86 85.457 -3.637 1.740 654 H1U RCY 87 H1U RCY 87 76.022 -7.491 3.783 655 H1S RCY 87 H1S RCY 87 78.275 -4.366 2.108 656 HB1 RCY 87 HB1 RCY 87 80.716 -2.796 2.826 657 HB2 RCY 87 HB2 RCY 87 80.421 -2.072 1.248 658 HA RCY 87 HA RCY 87 80.589 0.099 2.060 659 HN1 RCY 87 HN1 RCY 87 82.579 -1.612 3.197 Start of MODEL 57 1 HA MET 1 HA MET 1 70.979 -14.709 -24.057 2 HB2 MET 1 HB2 MET 1 68.610 -14.097 -25.078 3 HB3 MET 1 HB1 MET 1 69.444 -12.631 -25.591 4 HG2 MET 1 HG2 MET 1 70.276 -15.481 -26.213 5 HG3 MET 1 HG1 MET 1 69.615 -14.311 -27.355 6 HE1 MET 1 HE1 MET 1 70.419 -12.111 -27.659 7 HE2 MET 1 HE2 MET 1 71.400 -12.850 -28.922 8 HE3 MET 1 HE3 MET 1 72.118 -11.658 -27.840 9 H ASN 2 HN ASN 2 70.135 -11.235 -23.816 10 HA ASN 2 HA ASN 2 72.736 -10.399 -24.810 11 HB2 ASN 2 HB2 ASN 2 70.515 -8.893 -23.400 12 HB3 ASN 2 HB1 ASN 2 71.969 -8.126 -24.039 13 HD21 ASN 2 HD21 ASN 2 70.855 -6.942 -25.722 14 HD22 ASN 2 HD22 ASN 2 70.134 -7.722 -27.046 15 H LEU 3 HN LEU 3 71.538 -9.005 -21.825 16 HA LEU 3 HA LEU 3 74.036 -8.926 -20.538 17 HG LEU 3 HG LEU 3 71.682 -6.642 -18.982 18 HB2 LEU 3 HB2 LEU 3 71.206 -8.960 -19.497 19 HB3 LEU 3 HB1 LEU 3 72.567 -8.926 -18.378 20 HD11 LEU 3 HD11 LEU 3 73.793 -5.724 -18.855 21 HD12 LEU 3 HD12 LEU 3 74.443 -6.786 -20.105 22 HD13 LEU 3 HD13 LEU 3 74.201 -7.396 -18.468 23 HD21 LEU 3 HD21 LEU 3 72.960 -7.192 -21.671 24 HD22 LEU 3 HD22 LEU 3 72.019 -5.779 -21.193 25 HD23 LEU 3 HD23 LEU 3 71.225 -7.340 -21.395 26 H GLU 4 HN GLU 4 74.193 -10.190 -18.216 27 HA GLU 4 HA GLU 4 74.726 -12.929 -18.938 28 HB2 GLU 4 HB2 GLU 4 74.572 -11.703 -16.167 29 HB3 GLU 4 HB1 GLU 4 75.369 -13.216 -16.596 30 HG2 GLU 4 HG2 GLU 4 77.128 -11.629 -16.534 31 HG3 GLU 4 HG1 GLU 4 76.759 -11.803 -18.250 32 HA PRO 5 HA PRO 5 70.909 -15.108 -18.467 33 HB2 PRO 5 HB2 PRO 5 72.402 -16.608 -16.335 34 HB3 PRO 5 HB1 PRO 5 71.383 -17.235 -17.647 35 HG2 PRO 5 HG2 PRO 5 74.065 -17.236 -17.782 36 HG3 PRO 5 HG1 PRO 5 73.039 -17.038 -19.210 37 HD2 PRO 5 HD2 PRO 5 74.784 -15.061 -17.904 38 HD3 PRO 5 HD1 PRO 5 74.043 -15.010 -19.518 39 HA PRO 6 HA PRO 6 69.724 -12.884 -14.632 40 HB2 PRO 6 HB2 PRO 6 67.434 -11.787 -15.560 41 HB3 PRO 6 HB1 PRO 6 69.027 -11.121 -15.973 42 HG2 PRO 6 HG2 PRO 6 67.194 -12.780 -17.610 43 HG3 PRO 6 HG1 PRO 6 68.286 -11.478 -18.103 44 HD2 PRO 6 HD2 PRO 6 68.810 -14.229 -18.346 45 HD3 PRO 6 HD1 PRO 6 70.016 -12.930 -18.462 46 H LYS 7 HN LYS 7 67.770 -13.113 -13.207 47 HA LYS 7 HA LYS 7 65.863 -15.246 -13.905 48 HB2 LYS 7 HB2 LYS 7 66.432 -16.604 -11.907 49 HB3 LYS 7 HB1 LYS 7 67.775 -16.529 -13.047 50 HG2 LYS 7 HG2 LYS 7 68.670 -14.575 -11.689 51 HG3 LYS 7 HG1 LYS 7 67.453 -14.967 -10.474 52 HD2 LYS 7 HD2 LYS 7 68.376 -17.208 -10.210 53 HD3 LYS 7 HD1 LYS 7 69.531 -16.917 -11.511 54 HE2 LYS 7 HE2 LYS 7 70.632 -15.181 -10.220 55 HE3 LYS 7 HE1 LYS 7 69.404 -15.287 -8.958 56 HZ1 LYS 7 HZ1 LYS 7 70.146 -17.376 -8.305 57 HZ2 LYS 7 HZ2 LYS 7 71.585 -16.523 -8.600 58 HZ3 LYS 7 HZ3 LYS 7 71.007 -17.640 -9.742 59 H ALA 8 HN ALA 8 65.427 -15.581 -10.904 60 HA ALA 8 HA ALA 8 63.288 -13.854 -10.511 61 HB1 ALA 8 HB1 ALA 8 65.221 -15.007 -8.487 62 HB2 ALA 8 HB2 ALA 8 63.642 -15.641 -8.950 63 HB3 ALA 8 HB3 ALA 8 63.754 -14.142 -8.027 64 H GLU 9 HN GLU 9 66.602 -13.008 -10.619 65 HA GLU 9 HA GLU 9 66.530 -10.695 -8.897 66 HB2 GLU 9 HB2 GLU 9 68.327 -11.467 -11.210 67 HB3 GLU 9 HB1 GLU 9 68.573 -10.012 -10.243 68 HG2 GLU 9 HG2 GLU 9 68.769 -11.369 -8.209 69 HG3 GLU 9 HG1 GLU 9 68.465 -12.835 -9.141 70 H1U RCY 10 H1U RCY 10 64.418 -6.412 -5.529 71 H1S RCY 10 H1S RCY 10 63.149 -9.696 -8.128 72 HB1 RCY 10 HB1 RCY 10 62.491 -9.878 -12.354 73 HB2 RCY 10 HB2 RCY 10 61.980 -8.239 -11.950 74 HA RCY 10 HA RCY 10 64.494 -8.625 -12.438 75 HN1 RCY 10 HN1 RCY 10 64.259 -10.141 -9.906 76 H ARG 11 HN ARG 11 62.138 -7.221 -10.525 77 HA ARG 11 HA ARG 11 63.932 -5.278 -9.207 78 HE ARG 11 HE ARG 11 62.447 -1.778 -12.239 79 HB2 ARG 11 HB2 ARG 11 61.969 -4.486 -11.382 80 HB3 ARG 11 HB1 ARG 11 62.814 -3.352 -10.328 81 HG2 ARG 11 HG2 ARG 11 64.983 -4.460 -11.145 82 HG3 ARG 11 HG1 ARG 11 63.997 -5.197 -12.408 83 HD2 ARG 11 HD2 ARG 11 64.731 -2.329 -12.008 84 HD3 ARG 11 HD1 ARG 11 64.613 -3.259 -13.502 85 HH11 ARG 11 HH21 ARG 11 63.348 -4.466 -14.200 86 HH12 ARG 11 HH22 ARG 11 61.826 -4.545 -15.024 87 HH21 ARG 11 HH11 ARG 11 60.455 -1.865 -13.303 88 HH22 ARG 11 HH12 ARG 11 60.188 -3.073 -14.515 89 H SER 12 HN SER 12 61.808 -7.265 -8.451 90 HA SER 12 HA SER 12 60.435 -5.593 -6.525 91 HG SER 12 HG SER 12 58.363 -5.138 -6.406 92 HB2 SER 12 HB2 SER 12 59.127 -5.243 -8.702 93 HB3 SER 12 HB1 SER 12 58.649 -6.933 -8.565 94 H ALA 13 HN ALA 13 59.045 -6.939 -5.086 95 HA ALA 13 HA ALA 13 58.876 -9.788 -5.384 96 HB1 ALA 13 HB1 ALA 13 60.520 -10.322 -3.502 97 HB2 ALA 13 HB2 ALA 13 61.169 -8.699 -3.739 98 HB3 ALA 13 HB3 ALA 13 61.242 -9.877 -5.049 99 H THR 14 HN THR 14 57.105 -7.734 -4.594 100 HA THR 14 HA THR 14 55.441 -7.396 -2.987 101 HB THR 14 HB THR 14 56.277 -10.063 -2.620 102 HG1 THR 14 HG1 THR 14 54.196 -10.052 -2.583 103 HG21 THR 14 HG21 THR 14 55.848 -8.771 0.079 104 HG22 THR 14 HG22 THR 14 57.457 -9.106 -0.562 105 HG23 THR 14 HG23 THR 14 56.333 -10.432 -0.265 106 H ARG 15 HN ARG 15 58.577 -6.720 -2.642 107 HA ARG 15 HA ARG 15 59.723 -5.236 -1.231 108 HE ARG 15 HE ARG 15 60.410 -1.377 0.391 109 HB2 ARG 15 HB2 ARG 15 57.320 -4.177 -1.230 110 HB3 ARG 15 HB1 ARG 15 57.216 -4.852 0.395 111 HG2 ARG 15 HG2 ARG 15 58.130 -2.780 0.885 112 HG3 ARG 15 HG1 ARG 15 59.607 -3.716 0.651 113 HD2 ARG 15 HD2 ARG 15 59.706 -2.975 -1.702 114 HD3 ARG 15 HD1 ARG 15 58.234 -2.033 -1.467 115 HH11 ARG 15 HH21 ARG 15 58.821 -0.802 -2.614 116 HH12 ARG 15 HH22 ARG 15 59.420 0.815 -2.774 117 HH21 ARG 15 HH11 ARG 15 61.201 0.732 0.200 118 HH22 ARG 15 HH12 ARG 15 60.767 1.684 -1.180 119 H VAL 16 HN VAL 16 60.933 -5.525 0.644 120 HA VAL 16 HA VAL 16 60.116 -7.829 2.373 121 HB VAL 16 HB VAL 16 62.553 -8.020 2.879 122 HG11 VAL 16 HG11 VAL 16 61.412 -9.255 0.981 123 HG12 VAL 16 HG12 VAL 16 63.150 -9.033 0.777 124 HG13 VAL 16 HG13 VAL 16 62.020 -8.004 -0.103 125 HG21 VAL 16 HG21 VAL 16 62.752 -5.839 0.777 126 HG22 VAL 16 HG22 VAL 16 64.122 -6.742 1.424 127 HG23 VAL 16 HG23 VAL 16 63.185 -5.685 2.480 128 H MET 17 HN MET 17 60.804 -4.446 2.324 129 HA MET 17 HA MET 17 61.723 -3.942 4.926 130 HB2 MET 17 HB2 MET 17 61.054 -2.326 2.921 131 HB3 MET 17 HB1 MET 17 59.541 -2.205 3.817 132 HG2 MET 17 HG2 MET 17 60.875 -0.454 4.693 133 HG3 MET 17 HG1 MET 17 61.017 -1.746 5.886 134 HE1 MET 17 HE1 MET 17 62.958 -0.468 6.811 135 HE2 MET 17 HE2 MET 17 63.118 0.746 5.544 136 HE3 MET 17 HE3 MET 17 64.522 -0.202 6.031 137 H GLY 18 HN GLY 18 60.493 -3.300 6.873 138 HA2 GLY 18 HA2 GLY 18 58.488 -3.319 8.224 139 HA3 GLY 18 HA1 GLY 18 57.719 -4.354 7.020 140 H GLY 19 HN GLY 19 57.270 -5.453 9.281 141 HA2 GLY 19 HA2 GLY 19 57.602 -7.395 10.558 142 HA3 GLY 19 HA1 GLY 19 58.795 -7.885 9.353 143 HA PRO 20 HA PRO 20 61.109 -7.303 13.344 144 HB2 PRO 20 HB2 PRO 20 62.999 -8.926 11.687 145 HB3 PRO 20 HB1 PRO 20 62.531 -9.126 13.387 146 HG2 PRO 20 HG2 PRO 20 61.584 -10.730 11.486 147 HG3 PRO 20 HG1 PRO 20 60.583 -10.227 12.859 148 HD2 PRO 20 HD2 PRO 20 60.469 -9.318 10.015 149 HD3 PRO 20 HD1 PRO 20 59.159 -9.462 11.209 150 H1U RCY 21 H1U RCY 21 66.949 -1.733 5.242 151 H1S RCY 21 H1S RCY 21 67.075 -4.336 8.454 152 HB1 RCY 21 HB1 RCY 21 63.758 -4.545 8.224 153 HB2 RCY 21 HB2 RCY 21 63.318 -6.191 8.671 154 HA RCY 21 HA RCY 21 63.743 -4.455 10.999 155 HN1 RCY 21 HN1 RCY 21 61.336 -6.075 10.285 156 H THR 22 HN THR 22 62.510 -2.630 11.565 157 HA THR 22 HA THR 22 60.725 -1.536 9.427 158 HB THR 22 HB THR 22 59.747 -0.173 11.342 159 HG1 THR 22 HG1 THR 22 60.469 -1.938 13.223 160 HG21 THR 22 HG21 THR 22 58.543 -2.089 10.489 161 HG22 THR 22 HG22 THR 22 58.469 -2.140 12.250 162 HG23 THR 22 HG23 THR 22 59.584 -3.197 11.384 163 HA PRO 23 HA PRO 23 63.531 1.781 8.554 164 HB2 PRO 23 HB2 PRO 23 61.154 3.536 9.065 165 HB3 PRO 23 HB1 PRO 23 62.282 3.538 7.695 166 HG2 PRO 23 HG2 PRO 23 59.832 2.459 7.532 167 HG3 PRO 23 HG1 PRO 23 61.218 1.813 6.640 168 HD2 PRO 23 HD2 PRO 23 59.783 0.645 8.945 169 HD3 PRO 23 HD1 PRO 23 60.827 -0.151 7.748 170 H ARG 24 HN ARG 24 64.838 3.179 9.760 171 HA ARG 24 HA ARG 24 64.247 3.345 12.653 172 HE ARG 24 HE ARG 24 67.478 2.022 15.742 173 HB2 ARG 24 HB2 ARG 24 66.649 3.522 10.934 174 HB3 ARG 24 HB1 ARG 24 66.649 4.646 12.291 175 HG2 ARG 24 HG2 ARG 24 66.085 1.680 12.557 176 HG3 ARG 24 HG1 ARG 24 67.667 2.410 12.833 177 HD2 ARG 24 HD2 ARG 24 65.819 3.963 14.305 178 HD3 ARG 24 HD1 ARG 24 65.405 2.278 14.620 179 HH11 ARG 24 HH21 ARG 24 67.289 4.947 13.926 180 HH12 ARG 24 HH22 ARG 24 68.748 5.607 14.586 181 HH21 ARG 24 HH11 ARG 24 69.384 2.867 16.614 182 HH22 ARG 24 HH12 ARG 24 69.934 4.430 16.108 183 H LYS 25 HN LYS 25 62.818 4.965 10.514 184 HA LYS 25 HA LYS 25 63.487 7.597 10.310 185 HB2 LYS 25 HB2 LYS 25 61.055 6.065 10.225 186 HB3 LYS 25 HB1 LYS 25 60.731 7.570 11.082 187 HG2 LYS 25 HG2 LYS 25 62.144 7.417 8.404 188 HG3 LYS 25 HG1 LYS 25 60.421 7.747 8.595 189 HD2 LYS 25 HD2 LYS 25 60.795 9.825 9.601 190 HD3 LYS 25 HD1 LYS 25 62.431 9.397 10.104 191 HE2 LYS 25 HE2 LYS 25 63.144 9.404 7.725 192 HE3 LYS 25 HE1 LYS 25 61.518 9.899 7.256 193 HZ1 LYS 25 HZ1 LYS 25 62.222 11.969 7.553 194 HZ2 LYS 25 HZ2 LYS 25 63.653 11.467 8.319 195 HZ3 LYS 25 HZ3 LYS 25 62.226 11.657 9.220 196 H GLY 26 HN GLY 26 63.703 9.330 11.663 197 HA2 GLY 26 HA2 GLY 26 62.404 9.654 14.183 198 HA3 GLY 26 HA1 GLY 26 64.019 8.995 14.462 199 HA PRO 27 HA PRO 27 65.237 13.335 14.674 200 HB2 PRO 27 HB2 PRO 27 67.880 12.103 13.985 201 HB3 PRO 27 HB1 PRO 27 67.476 13.252 15.275 202 HG2 PRO 27 HG2 PRO 27 67.889 10.654 15.762 203 HG3 PRO 27 HG1 PRO 27 66.726 11.618 16.685 204 HD2 PRO 27 HD2 PRO 27 66.218 9.507 14.660 205 HD3 PRO 27 HD1 PRO 27 65.180 10.071 15.988 206 HA PRO 28 HA PRO 28 65.611 14.957 10.570 207 HB2 PRO 28 HB2 PRO 28 68.505 15.616 10.989 208 HB3 PRO 28 HB1 PRO 28 67.188 16.648 10.395 209 HG2 PRO 28 HG2 PRO 28 68.116 16.869 12.881 210 HG3 PRO 28 HG1 PRO 28 66.395 17.077 12.512 211 HD2 PRO 28 HD2 PRO 28 67.766 14.798 13.864 212 HD3 PRO 28 HD1 PRO 28 66.101 15.391 14.058 213 H LYS 29 HN LYS 29 66.565 14.503 8.420 214 HA LYS 29 HA LYS 29 67.069 11.860 7.821 215 HB2 LYS 29 HB2 LYS 29 68.647 13.955 6.345 216 HB3 LYS 29 HB1 LYS 29 67.793 12.552 5.705 217 HG2 LYS 29 HG2 LYS 29 66.531 15.063 6.844 218 HG3 LYS 29 HG1 LYS 29 66.530 14.561 5.153 219 HD2 LYS 29 HD2 LYS 29 65.298 12.485 5.825 220 HD3 LYS 29 HD1 LYS 29 65.193 13.126 7.465 221 HE2 LYS 29 HE2 LYS 29 64.146 14.570 5.014 222 HE3 LYS 29 HE1 LYS 29 63.147 13.579 6.078 223 HZ1 LYS 29 HZ1 LYS 29 63.209 15.106 7.713 224 HZ2 LYS 29 HZ2 LYS 29 63.512 16.180 6.431 225 HZ3 LYS 29 HZ3 LYS 29 64.799 15.590 7.371 226 H1U RCY 30 H1U RCY 30 76.519 13.382 5.301 227 H1S RCY 30 H1S RCY 30 73.414 14.211 7.950 228 HB1 RCY 30 HB1 RCY 30 71.445 11.910 7.337 229 HB2 RCY 30 HB2 RCY 30 72.685 10.934 8.118 230 HA RCY 30 HA RCY 30 70.862 9.643 8.654 231 HN1 RCY 30 HN1 RCY 30 68.679 10.450 8.263 232 H LYS 31 HN LYS 31 71.735 9.053 10.601 233 HA LYS 31 HA LYS 31 70.497 9.919 13.017 234 HB2 LYS 31 HB2 LYS 31 73.051 8.377 12.486 235 HB3 LYS 31 HB1 LYS 31 72.444 8.676 14.108 236 HG2 LYS 31 HG2 LYS 31 71.612 6.518 13.437 237 HG3 LYS 31 HG1 LYS 31 70.250 7.638 13.376 238 HD2 LYS 31 HD2 LYS 31 70.335 6.212 11.354 239 HD3 LYS 31 HD1 LYS 31 70.567 7.914 10.952 240 HE2 LYS 31 HE2 LYS 31 72.787 7.628 10.409 241 HE3 LYS 31 HE1 LYS 31 73.006 6.308 11.557 242 HZ1 LYS 31 HZ1 LYS 31 72.978 5.742 9.088 243 HZ2 LYS 31 HZ2 LYS 31 71.300 5.997 9.167 244 HZ3 LYS 31 HZ3 LYS 31 72.025 4.790 10.119 245 H GLN 32 HN GLN 32 73.287 10.029 14.396 246 HA GLN 32 HA GLN 32 74.224 12.701 13.581 247 HB2 GLN 32 HB2 GLN 32 73.946 13.552 15.952 248 HB3 GLN 32 HB1 GLN 32 72.438 13.355 15.059 249 HG2 GLN 32 HG2 GLN 32 73.511 11.113 16.762 250 HG3 GLN 32 HG1 GLN 32 72.563 12.414 17.484 251 HE21 GLN 32 HE21 GLN 32 70.639 12.912 15.516 252 HE22 GLN 32 HE22 GLN 32 69.694 11.524 15.268 253 H ARG 33 HN ARG 33 74.781 9.635 14.753 254 HA ARG 33 HA ARG 33 76.795 9.811 16.668 255 HE ARG 33 HE ARG 33 74.559 6.186 18.406 256 HB2 ARG 33 HB2 ARG 33 76.971 8.020 14.232 257 HB3 ARG 33 HB1 ARG 33 77.649 7.719 15.832 258 HG2 ARG 33 HG2 ARG 33 74.709 7.854 15.106 259 HG3 ARG 33 HG1 ARG 33 75.607 6.424 15.614 260 HD2 ARG 33 HD2 ARG 33 76.150 7.791 17.754 261 HD3 ARG 33 HD1 ARG 33 74.811 8.824 17.254 262 HH11 ARG 33 HH21 ARG 33 73.272 8.399 16.097 263 HH12 ARG 33 HH22 ARG 33 71.669 7.748 16.168 264 HH21 ARG 33 HH11 ARG 33 72.472 5.323 18.512 265 HH22 ARG 33 HH12 ARG 33 71.216 6.006 17.536 266 H GLN 34 HN GLN 34 77.855 9.213 13.356 267 HA GLN 34 HA GLN 34 79.328 11.663 13.058 268 HB2 GLN 34 HB2 GLN 34 80.538 10.156 14.921 269 HB3 GLN 34 HB1 GLN 34 81.229 9.391 13.491 270 HG2 GLN 34 HG2 GLN 34 81.895 11.671 12.671 271 HG3 GLN 34 HG1 GLN 34 81.350 12.333 14.213 272 HE21 GLN 34 HE21 GLN 34 82.943 9.165 13.898 273 HE22 GLN 34 HE22 GLN 34 84.356 9.605 14.729 274 H THR 35 HN THR 35 77.663 10.333 11.329 275 HA THR 35 HA THR 35 78.913 8.468 9.570 276 HB THR 35 HB THR 35 77.184 9.201 7.927 277 HG1 THR 35 HG1 THR 35 76.611 11.103 9.951 278 HG21 THR 35 HG21 THR 35 76.388 8.714 10.800 279 HG22 THR 35 HG22 THR 35 76.459 7.551 9.476 280 HG23 THR 35 HG23 THR 35 75.199 8.785 9.499 281 H ARG 36 HN ARG 36 79.571 11.766 10.104 282 HA ARG 36 HA ARG 36 80.604 12.246 7.379 283 HE ARG 36 HE ARG 36 81.881 16.701 9.617 284 HB2 ARG 36 HB2 ARG 36 81.212 14.471 8.254 285 HB3 ARG 36 HB1 ARG 36 79.524 14.097 8.604 286 HG2 ARG 36 HG2 ARG 36 80.185 13.346 10.881 287 HG3 ARG 36 HG1 ARG 36 81.851 13.807 10.528 288 HD2 ARG 36 HD2 ARG 36 79.438 15.575 10.863 289 HD3 ARG 36 HD1 ARG 36 81.018 15.704 11.634 290 HH11 ARG 36 HH21 ARG 36 78.575 15.737 9.467 291 HH12 ARG 36 HH22 ARG 36 78.234 16.654 8.038 292 HH21 ARG 36 HH11 ARG 36 81.456 17.904 7.752 293 HH22 ARG 36 HH12 ARG 36 79.865 17.881 7.067 294 H GLN 37 HN GLN 37 81.695 10.653 10.091 295 HA GLN 37 HA GLN 37 84.414 11.548 10.262 296 HB2 GLN 37 HB2 GLN 37 82.936 9.831 11.732 297 HB3 GLN 37 HB1 GLN 37 83.814 8.663 10.749 298 HG2 GLN 37 HG2 GLN 37 84.974 10.790 12.563 299 HG3 GLN 37 HG1 GLN 37 85.158 9.041 12.698 300 HE21 GLN 37 HE21 GLN 37 86.990 11.602 11.940 301 HE22 GLN 37 HE22 GLN 37 87.954 10.958 10.700 302 H1U RCY 38 H1U RCY 38 85.909 3.872 5.544 303 H1S RCY 38 H1S RCY 38 86.330 7.990 5.951 304 HB1 RCY 38 HB1 RCY 38 87.096 11.324 5.907 305 HB2 RCY 38 HB2 RCY 38 85.361 11.374 6.215 306 HA RCY 38 HA RCY 38 85.961 8.834 7.039 307 HN1 RCY 38 HN1 RCY 38 86.167 11.064 8.987 308 H LYS 39 HN LYS 39 87.636 7.757 8.153 309 HA LYS 39 HA LYS 39 90.327 8.819 7.636 310 HB2 LYS 39 HB2 LYS 39 89.124 9.313 10.127 311 HB3 LYS 39 HB1 LYS 39 90.194 7.949 10.426 312 HG2 LYS 39 HG2 LYS 39 91.051 10.488 9.008 313 HG3 LYS 39 HG1 LYS 39 91.310 10.183 10.726 314 HD2 LYS 39 HD2 LYS 39 92.248 8.212 8.647 315 HD3 LYS 39 HD1 LYS 39 93.239 9.602 9.092 316 HE2 LYS 39 HE2 LYS 39 93.839 8.660 11.055 317 HE3 LYS 39 HE1 LYS 39 92.173 8.224 11.434 318 HZ1 LYS 39 HZ1 LYS 39 93.510 6.702 9.334 319 HZ2 LYS 39 HZ2 LYS 39 92.389 6.189 10.502 320 HZ3 LYS 39 HZ3 LYS 39 94.017 6.421 10.928 321 H SER 40 HN SER 40 91.431 6.902 9.659 322 HA SER 40 HA SER 40 92.272 4.708 9.522 323 HG SER 40 HG SER 40 90.563 2.157 9.169 324 HB2 SER 40 HB2 SER 40 89.906 4.495 10.522 325 HB3 SER 40 HB1 SER 40 89.412 3.945 8.924 326 H LYS 41 HN LYS 41 91.271 2.518 7.948 327 HA LYS 41 HA LYS 41 91.391 3.517 5.158 328 HB2 LYS 41 HB2 LYS 41 93.155 1.712 4.691 329 HB3 LYS 41 HB1 LYS 41 93.712 3.157 5.532 330 HG2 LYS 41 HG2 LYS 41 92.699 0.959 7.255 331 HG3 LYS 41 HG1 LYS 41 94.225 0.652 6.423 332 HD2 LYS 41 HD2 LYS 41 93.822 3.270 7.837 333 HD3 LYS 41 HD1 LYS 41 94.241 1.836 8.774 334 HE2 LYS 41 HE2 LYS 41 96.303 1.564 7.670 335 HE3 LYS 41 HE1 LYS 41 95.810 2.573 6.310 336 HZ1 LYS 41 HZ1 LYS 41 96.731 3.362 8.976 337 HZ2 LYS 41 HZ2 LYS 41 95.602 4.359 8.191 338 HZ3 LYS 41 HZ3 LYS 41 97.102 4.032 7.462 339 HA PRO 42 HA PRO 42 88.466 0.212 4.677 340 HB2 PRO 42 HB2 PRO 42 88.607 -0.132 1.960 341 HB3 PRO 42 HB1 PRO 42 87.796 1.250 2.723 342 HG2 PRO 42 HG2 PRO 42 90.499 1.094 1.489 343 HG3 PRO 42 HG1 PRO 42 89.295 2.392 1.416 344 HD2 PRO 42 HD2 PRO 42 91.478 2.477 3.071 345 HD3 PRO 42 HD1 PRO 42 89.944 3.292 3.447 346 HA PRO 43 HA PRO 43 90.513 -3.700 4.638 347 HB2 PRO 43 HB2 PRO 43 88.828 -5.181 2.951 348 HB3 PRO 43 HB1 PRO 43 88.586 -4.930 4.689 349 HG2 PRO 43 HG2 PRO 43 87.329 -3.547 2.388 350 HG3 PRO 43 HG1 PRO 43 86.647 -3.972 3.968 351 HD2 PRO 43 HD2 PRO 43 87.382 -1.431 3.369 352 HD3 PRO 43 HD1 PRO 43 87.544 -2.091 5.014 353 H LYS 44 HN LYS 44 91.946 -4.984 3.356 354 HA LYS 44 HA LYS 44 93.355 -5.439 1.543 355 HB2 LYS 44 HB2 LYS 44 90.988 -5.776 0.490 356 HB3 LYS 44 HB1 LYS 44 91.294 -4.231 -0.299 357 HG2 LYS 44 HG2 LYS 44 93.291 -5.083 -1.355 358 HG3 LYS 44 HG1 LYS 44 93.209 -6.577 -0.419 359 HD2 LYS 44 HD2 LYS 44 91.055 -5.682 -2.355 360 HD3 LYS 44 HD1 LYS 44 92.349 -6.804 -2.776 361 HE2 LYS 44 HE2 LYS 44 91.496 -8.018 -0.548 362 HE3 LYS 44 HE1 LYS 44 89.993 -7.211 -0.991 363 HZ1 LYS 44 HZ1 LYS 44 90.036 -9.338 -2.030 364 HZ2 LYS 44 HZ2 LYS 44 91.587 -9.068 -2.667 365 HZ3 LYS 44 HZ3 LYS 44 90.262 -8.173 -3.242 366 H LYS 45 HN LYS 45 92.685 -3.331 -0.856 367 HA LYS 45 HA LYS 45 94.301 -1.118 0.349 368 HB2 LYS 45 HB2 LYS 45 95.558 -0.949 -1.771 369 HB3 LYS 45 HB1 LYS 45 95.778 -2.530 -1.022 370 HG2 LYS 45 HG2 LYS 45 93.655 -3.134 -2.520 371 HG3 LYS 45 HG1 LYS 45 94.268 -1.799 -3.497 372 HD2 LYS 45 HD2 LYS 45 95.855 -4.236 -2.634 373 HD3 LYS 45 HD1 LYS 45 95.231 -3.933 -4.257 374 HE2 LYS 45 HE2 LYS 45 96.582 -1.821 -4.320 375 HE3 LYS 45 HE1 LYS 45 97.290 -2.277 -2.770 376 HZ1 LYS 45 HZ1 LYS 45 98.633 -2.931 -4.729 377 HZ2 LYS 45 HZ2 LYS 45 97.381 -3.979 -5.199 378 HZ3 LYS 45 HZ3 LYS 45 98.203 -4.236 -3.735 379 H GLY 46 HN GLY 46 91.766 -0.574 0.407 380 HA2 GLY 46 HA2 GLY 46 90.831 0.524 -2.173 381 HA3 GLY 46 HA1 GLY 46 89.909 0.493 -0.669 382 H VAL 47 HN VAL 47 93.215 1.636 -0.746 383 HA VAL 47 HA VAL 47 94.120 3.735 -0.240 384 HB VAL 47 HB VAL 47 91.645 4.668 -1.727 385 HG11 VAL 47 HG11 VAL 47 94.184 6.069 -0.863 386 HG12 VAL 47 HG12 VAL 47 92.519 6.534 -0.512 387 HG13 VAL 47 HG13 VAL 47 93.151 6.688 -2.152 388 HG21 VAL 47 HG21 VAL 47 94.488 4.352 -2.726 389 HG22 VAL 47 HG22 VAL 47 93.046 4.690 -3.683 390 HG23 VAL 47 HG23 VAL 47 93.254 3.108 -2.931 391 H GLN 48 HN GLN 48 93.919 5.471 1.291 392 HA GLN 48 HA GLN 48 92.411 4.954 3.593 393 HB2 GLN 48 HB2 GLN 48 94.246 6.525 3.677 394 HB3 GLN 48 HB1 GLN 48 93.447 7.595 2.524 395 HG2 GLN 48 HG2 GLN 48 91.788 8.231 4.084 396 HG3 GLN 48 HG1 GLN 48 92.139 6.865 5.143 397 HE21 GLN 48 HE21 GLN 48 92.665 10.170 4.815 398 HE22 GLN 48 HE22 GLN 48 94.050 10.313 5.787 399 H GLY 49 HN GLY 49 90.351 5.525 4.295 400 HA2 GLY 49 HA2 GLY 49 88.574 7.424 3.689 401 HA3 GLY 49 HA1 GLY 49 88.500 6.494 2.192 402 H1U RCY 50 H1U RCY 50 80.098 3.798 4.791 403 H1S RCY 50 H1S RCY 50 84.333 3.355 6.526 404 HB1 RCY 50 HB1 RCY 50 88.126 2.558 5.965 405 HB2 RCY 50 HB2 RCY 50 87.402 2.866 4.387 406 HA RCY 50 HA RCY 50 85.893 4.562 5.610 407 HN1 RCY 50 HN1 RCY 50 88.517 5.754 5.709 408 H GLY 51 HN GLY 51 86.758 6.416 7.337 409 HA2 GLY 51 HA2 GLY 51 88.139 5.766 9.657 410 HA3 GLY 51 HA1 GLY 51 86.727 6.823 9.658 411 H ASP 52 HN ASP 52 84.723 5.011 8.941 412 HA ASP 52 HA ASP 52 83.250 3.520 10.004 413 HB2 ASP 52 HB2 ASP 52 84.869 1.890 9.121 414 HB3 ASP 52 HB1 ASP 52 85.873 2.096 10.557 415 H ASP 53 HN ASP 53 85.845 2.725 12.243 416 HA ASP 53 HA ASP 53 86.058 3.101 14.547 417 HB2 ASP 53 HB2 ASP 53 84.163 5.428 14.344 418 HB3 ASP 53 HB1 ASP 53 85.601 5.248 15.349 419 H ILE 54 HN ILE 54 82.719 4.229 13.906 420 HA ILE 54 HA ILE 54 81.774 2.310 15.976 421 HB ILE 54 HB ILE 54 80.167 4.487 14.630 422 HG12 ILE 54 HG12 ILE 54 82.101 5.582 15.587 423 HG13 ILE 54 HG11 ILE 54 80.746 5.839 16.686 424 HG21 ILE 54 HG21 ILE 54 79.930 3.006 17.268 425 HG22 ILE 54 HG22 ILE 54 78.875 2.822 15.866 426 HG23 ILE 54 HG23 ILE 54 78.887 4.337 16.769 427 HD11 ILE 54 HD11 ILE 54 83.072 3.943 16.990 428 HD12 ILE 54 HD12 ILE 54 81.573 3.701 17.888 429 HD13 ILE 54 HD13 ILE 54 82.508 5.179 18.114 430 HA PRO 55 HA PRO 55 80.332 0.067 12.287 431 HB2 PRO 55 HB2 PRO 55 80.138 -2.379 13.425 432 HB3 PRO 55 HB1 PRO 55 81.706 -1.671 12.985 433 HG2 PRO 55 HG2 PRO 55 80.416 -1.878 15.655 434 HG3 PRO 55 HG1 PRO 55 82.121 -2.041 15.207 435 HD2 PRO 55 HD2 PRO 55 80.981 0.255 16.305 436 HD3 PRO 55 HD1 PRO 55 82.505 0.215 15.392 437 H GLY 56 HN GLY 56 78.302 1.453 12.731 438 HA2 GLY 56 HA2 GLY 56 76.094 -0.370 13.549 439 HA3 GLY 56 HA1 GLY 56 76.165 1.247 14.253 440 H MET 57 HN MET 57 75.452 2.991 13.027 441 HA MET 57 HA MET 57 74.148 4.002 11.344 442 HB2 MET 57 HB2 MET 57 76.190 2.423 9.760 443 HB3 MET 57 HB1 MET 57 75.081 3.578 9.020 444 HG2 MET 57 HG2 MET 57 77.160 4.731 9.481 445 HG3 MET 57 HG1 MET 57 75.945 5.322 10.615 446 HE1 MET 57 HE1 MET 57 78.869 5.595 12.879 447 HE2 MET 57 HE2 MET 57 77.140 5.884 13.056 448 HE3 MET 57 HE3 MET 57 77.949 6.312 11.550 449 H GLU 58 HN GLU 58 72.354 2.492 12.121 450 HA GLU 58 HA GLU 58 71.662 0.043 10.984 451 HB2 GLU 58 HB2 GLU 58 69.833 2.369 11.655 452 HB3 GLU 58 HB1 GLU 58 69.284 0.721 11.353 453 HG2 GLU 58 HG2 GLU 58 71.318 1.430 13.481 454 HG3 GLU 58 HG1 GLU 58 69.589 1.291 13.799 455 H GLY 59 HN GLY 59 70.436 3.185 9.768 456 HA2 GLY 59 HA2 GLY 59 71.107 3.000 7.097 457 HA3 GLY 59 HA1 GLY 59 69.669 1.984 7.225 458 H1U RCY 60 H1U RCY 60 74.852 4.737 4.351 459 H1S RCY 60 H1S RCY 60 71.652 6.829 6.314 460 HB1 RCY 60 HB1 RCY 60 70.226 7.446 8.235 461 HB2 RCY 60 HB2 RCY 60 68.638 8.125 7.867 462 HA RCY 60 HA RCY 60 68.488 6.469 9.690 463 HN1 RCY 60 HN1 RCY 60 70.036 4.703 9.353 464 H GLY 61 HN GLY 61 66.962 7.752 7.594 465 HA2 GLY 61 HA2 GLY 61 64.914 5.644 7.047 466 HA3 GLY 61 HA1 GLY 61 64.478 7.282 7.547 467 H THR 62 HN THR 62 63.268 7.329 5.499 468 HA THR 62 HA THR 62 63.089 7.565 3.128 469 HB THR 62 HB THR 62 63.226 9.835 3.979 470 HG1 THR 62 HG1 THR 62 65.031 9.593 1.811 471 HG21 THR 62 HG21 THR 62 65.225 9.707 5.317 472 HG22 THR 62 HG22 THR 62 65.494 10.943 4.089 473 HG23 THR 62 HG23 THR 62 66.212 9.343 3.902 474 H ASP 63 HN ASP 63 65.116 5.581 3.750 475 HA ASP 63 HA ASP 63 67.531 6.133 2.275 476 HB2 ASP 63 HB2 ASP 63 67.759 3.600 2.303 477 HB3 ASP 63 HB1 ASP 63 67.582 4.354 3.888 478 H ILE 64 HN ILE 64 64.323 5.219 1.349 479 HA ILE 64 HA ILE 64 65.243 5.047 -1.485 480 HB ILE 64 HB ILE 64 64.930 2.742 -0.876 481 HG12 ILE 64 HG12 ILE 64 62.240 3.368 -2.047 482 HG13 ILE 64 HG11 ILE 64 63.685 3.808 -2.957 483 HG21 ILE 64 HG21 ILE 64 62.290 3.650 0.312 484 HG22 ILE 64 HG22 ILE 64 63.698 3.086 1.212 485 HG23 ILE 64 HG23 ILE 64 62.809 1.970 0.176 486 HD11 ILE 64 HD11 ILE 64 63.373 1.044 -1.795 487 HD12 ILE 64 HD12 ILE 64 64.411 1.571 -3.120 488 HD13 ILE 64 HD13 ILE 64 62.668 1.454 -3.359 489 H THR 65 HN THR 65 63.790 7.039 0.350 490 HA THR 65 HA THR 65 61.076 7.303 -0.260 491 HB THR 65 HB THR 65 63.229 9.431 -0.085 492 HG1 THR 65 HG1 THR 65 62.943 8.819 1.909 493 HG21 THR 65 HG21 THR 65 60.237 9.672 -0.418 494 HG22 THR 65 HG22 THR 65 61.505 10.460 -1.357 495 HG23 THR 65 HG23 THR 65 61.204 10.956 0.308 496 H VAL 66 HN VAL 66 63.715 7.232 -2.404 497 HA VAL 66 HA VAL 66 61.915 7.775 -4.676 498 HB VAL 66 HB VAL 66 64.030 9.179 -5.587 499 HG11 VAL 66 HG11 VAL 66 62.783 11.226 -4.922 500 HG12 VAL 66 HG12 VAL 66 61.819 10.255 -3.810 501 HG13 VAL 66 HG13 VAL 66 61.711 9.973 -5.547 502 HG21 VAL 66 HG21 VAL 66 65.113 8.813 -3.276 503 HG22 VAL 66 HG22 VAL 66 63.922 9.963 -2.669 504 HG23 VAL 66 HG23 VAL 66 65.090 10.466 -3.890 505 H ILE 67 HN ILE 67 65.476 7.530 -4.312 506 HA ILE 67 HA ILE 67 65.355 4.929 -5.761 507 HB ILE 67 HB ILE 67 66.958 7.378 -6.518 508 HG12 ILE 67 HG12 ILE 67 65.317 5.497 -8.231 509 HG13 ILE 67 HG11 ILE 67 64.619 6.913 -7.444 510 HG21 ILE 67 HG21 ILE 67 67.900 5.659 -8.270 511 HG22 ILE 67 HG22 ILE 67 67.479 4.465 -7.042 512 HG23 ILE 67 HG23 ILE 67 68.627 5.749 -6.665 513 HD11 ILE 67 HD11 ILE 67 65.429 7.239 -9.855 514 HD12 ILE 67 HD12 ILE 67 67.065 7.102 -9.209 515 HD13 ILE 67 HD13 ILE 67 66.010 8.408 -8.668 516 H1U RCY 68 H1U RCY 68 71.832 2.842 -6.357 517 H1S RCY 68 H1S RCY 68 69.785 0.113 -3.263 518 HB1 RCY 68 HB1 RCY 68 66.599 2.152 -2.543 519 HB2 RCY 68 HB2 RCY 68 67.090 3.043 -1.104 520 HA RCY 68 HA RCY 68 68.282 4.592 -2.308 521 HN1 RCY 68 HN1 RCY 68 66.059 3.720 -3.953 522 HA PRO 69 HA PRO 69 71.540 3.858 -5.291 523 HB2 PRO 69 HB2 PRO 69 73.005 3.050 -2.805 524 HB3 PRO 69 HB1 PRO 69 73.513 4.141 -4.109 525 HG2 PRO 69 HG2 PRO 69 72.632 5.047 -1.742 526 HG3 PRO 69 HG1 PRO 69 72.355 5.917 -3.258 527 HD2 PRO 69 HD2 PRO 69 70.414 4.461 -1.567 528 HD3 PRO 69 HD1 PRO 69 70.123 5.722 -2.784 529 H TRP 70 HN TRP 70 70.774 1.480 -2.764 530 HA TRP 70 HA TRP 70 72.111 -0.700 -4.186 531 HD1 TRP 70 HD1 TRP 70 73.081 -2.775 -3.458 532 HE1 TRP 70 HE1 TRP 70 72.500 -5.282 -3.322 533 HE3 TRP 70 HE3 TRP 70 68.552 -2.503 -1.117 534 HZ2 TRP 70 HZ2 TRP 70 70.388 -6.954 -2.348 535 HZ3 TRP 70 HZ3 TRP 70 67.279 -4.561 -0.598 536 HH2 TRP 70 HH2 TRP 70 68.188 -6.785 -1.208 537 HB2 TRP 70 HB2 TRP 70 71.919 -0.706 -1.720 538 HB3 TRP 70 HB1 TRP 70 70.163 -0.781 -1.863 539 H GLU 71 HN GLU 71 69.040 0.817 -4.386 540 HA GLU 71 HA GLU 71 67.674 -1.579 -5.416 541 HB2 GLU 71 HB2 GLU 71 66.580 0.294 -4.036 542 HB3 GLU 71 HB1 GLU 71 66.635 1.255 -5.514 543 HG2 GLU 71 HG2 GLU 71 65.387 -1.501 -5.372 544 HG3 GLU 71 HG1 GLU 71 64.469 -0.010 -5.162 545 H ALA 72 HN ALA 72 67.918 1.700 -6.830 546 HA ALA 72 HA ALA 72 67.595 0.675 -9.504 547 HB1 ALA 72 HB1 ALA 72 66.967 2.988 -8.766 548 HB2 ALA 72 HB2 ALA 72 67.949 2.954 -10.230 549 HB3 ALA 72 HB3 ALA 72 68.685 3.378 -8.683 550 H1U RCY 73 H1U RCY 73 77.003 4.619 -6.064 551 H1S RCY 73 H1S RCY 73 74.586 5.453 -9.215 552 HB1 RCY 73 HB1 RCY 73 73.950 2.479 -8.904 553 HB2 RCY 73 HB2 RCY 73 72.656 2.827 -7.756 554 HA RCY 73 HA RCY 73 72.099 1.816 -10.549 555 HN1 RCY 73 HN1 RCY 73 70.354 2.715 -8.575 556 H ASN 74 HN ASN 74 71.822 -0.454 -10.786 557 HA ASN 74 HA ASN 74 72.140 -2.736 -10.281 558 HB2 ASN 74 HB2 ASN 74 74.580 -1.253 -10.379 559 HB3 ASN 74 HB1 ASN 74 74.765 -2.492 -9.139 560 HD21 ASN 74 HD21 ASN 74 75.619 -4.374 -10.019 561 HD22 ASN 74 HD22 ASN 74 75.272 -4.978 -11.567 562 H HIS 75 HN HIS 75 73.633 -4.031 -8.362 563 HA HIS 75 HA HIS 75 72.623 -3.075 -5.731 564 HD1 HIS 75 HD1 HIS 75 71.025 -4.042 -8.744 565 HD2 HIS 75 HD2 HIS 75 69.139 -4.553 -5.059 566 HE1 HIS 75 HE1 HIS 75 68.641 -3.241 -9.044 567 HE2 HIS 75 HE2 HIS 75 67.482 -3.548 -6.808 568 HB2 HIS 75 HB2 HIS 75 72.164 -5.855 -6.867 569 HB3 HIS 75 HB1 HIS 75 71.771 -5.350 -5.225 570 H1U RCY 76 H1U RCY 76 77.397 -0.077 -0.949 571 H1S RCY 76 H1S RCY 76 76.956 -3.420 -1.660 572 HB1 RCY 76 HB1 RCY 76 77.121 -3.998 -4.656 573 HB2 RCY 76 HB2 RCY 76 77.263 -4.531 -2.984 574 HA RCY 76 HA RCY 76 76.052 -6.060 -4.770 575 HN1 RCY 76 HN1 RCY 76 73.536 -4.805 -4.011 576 H GLU 77 HN GLU 77 74.330 -7.576 -3.730 577 HA GLU 77 HA GLU 77 73.963 -7.415 -0.861 578 HB2 GLU 77 HB2 GLU 77 73.201 -9.844 -1.180 579 HB3 GLU 77 HB1 GLU 77 72.297 -8.612 -2.061 580 HG2 GLU 77 HG2 GLU 77 73.416 -9.114 -4.110 581 HG3 GLU 77 HG1 GLU 77 74.635 -10.087 -3.287 582 H LEU 78 HN LEU 78 76.496 -8.676 -2.897 583 HA LEU 78 HA LEU 78 77.923 -9.549 -0.447 584 HG LEU 78 HG LEU 78 79.297 -11.467 -0.424 585 HB2 LEU 78 HB2 LEU 78 76.643 -11.467 -1.840 586 HB3 LEU 78 HB1 LEU 78 78.131 -11.403 -2.780 587 HD11 LEU 78 HD11 LEU 78 78.064 -12.466 1.330 588 HD12 LEU 78 HD12 LEU 78 76.763 -12.963 0.247 589 HD13 LEU 78 HD13 LEU 78 76.960 -11.261 0.666 590 HD21 LEU 78 HD21 LEU 78 77.934 -13.834 -1.742 591 HD22 LEU 78 HD22 LEU 78 79.173 -13.990 -0.497 592 HD23 LEU 78 HD23 LEU 78 79.568 -13.243 -2.046 593 H HIS 79 HN HIS 79 78.653 -10.068 -3.916 594 HA HIS 79 HA HIS 79 81.344 -9.090 -3.609 595 HD1 HIS 79 HD1 HIS 79 83.266 -10.345 -5.765 596 HD2 HIS 79 HD2 HIS 79 79.736 -12.406 -4.931 597 HE1 HIS 79 HE1 HIS 79 83.918 -12.766 -5.406 598 HE2 HIS 79 HE2 HIS 79 81.778 -14.031 -4.898 599 HB2 HIS 79 HB2 HIS 79 79.585 -9.728 -5.973 600 HB3 HIS 79 HB1 HIS 79 81.149 -8.952 -6.219 601 H GLU 80 HN GLU 80 80.427 -7.051 -2.420 602 HA GLU 80 HA GLU 80 79.262 -4.966 -4.049 603 HB2 GLU 80 HB2 GLU 80 79.843 -3.479 -2.130 604 HB3 GLU 80 HB1 GLU 80 78.966 -4.923 -1.631 605 HG2 GLU 80 HG2 GLU 80 81.955 -5.046 -1.691 606 HG3 GLU 80 HG1 GLU 80 81.187 -4.167 -0.368 607 H LEU 81 HN LEU 81 82.234 -6.319 -4.256 608 HA LEU 81 HA LEU 81 83.671 -3.771 -4.795 609 HG LEU 81 HG LEU 81 83.762 -6.071 -2.684 610 HB2 LEU 81 HB2 LEU 81 84.760 -6.595 -4.927 611 HB3 LEU 81 HB1 LEU 81 85.680 -5.094 -4.819 612 HD11 LEU 81 HD11 LEU 81 85.831 -6.582 -1.400 613 HD12 LEU 81 HD12 LEU 81 86.790 -6.199 -2.830 614 HD13 LEU 81 HD13 LEU 81 85.688 -7.576 -2.850 615 HD21 LEU 81 HD21 LEU 81 85.135 -4.337 -1.358 616 HD22 LEU 81 HD22 LEU 81 83.972 -3.708 -2.526 617 HD23 LEU 81 HD23 LEU 81 85.689 -3.754 -2.928 618 H ALA 82 HN ALA 82 83.590 -6.954 -6.402 619 HA ALA 82 HA ALA 82 84.138 -5.813 -8.988 620 HB1 ALA 82 HB1 ALA 82 82.971 -8.535 -8.337 621 HB2 ALA 82 HB2 ALA 82 84.694 -8.158 -8.325 622 HB3 ALA 82 HB3 ALA 82 83.783 -8.070 -9.833 623 H GLN 83 HN GLN 83 81.137 -6.457 -7.257 624 HA GLN 83 HA GLN 83 79.260 -6.726 -9.283 625 HB2 GLN 83 HB2 GLN 83 79.218 -5.188 -6.703 626 HB3 GLN 83 HB1 GLN 83 77.873 -4.986 -7.822 627 HG2 GLN 83 HG2 GLN 83 78.805 -7.763 -7.182 628 HG3 GLN 83 HG1 GLN 83 77.816 -6.906 -5.999 629 HE21 GLN 83 HE21 GLN 83 77.215 -5.934 -9.255 630 HE22 GLN 83 HE22 GLN 83 75.788 -6.823 -9.490 631 H TYR 84 HN TYR 84 81.410 -4.109 -8.768 632 HA TYR 84 HA TYR 84 80.883 -2.907 -11.291 633 HD1 TYR 84 HD1 TYR 84 80.721 -0.146 -11.973 634 HD2 TYR 84 HD2 TYR 84 77.230 -2.361 -10.808 635 HE1 TYR 84 HE1 TYR 84 79.617 0.474 -14.105 636 HE2 TYR 84 HE2 TYR 84 76.126 -1.741 -12.940 637 HH TYR 84 HH TYR 84 77.683 0.471 -15.240 638 HB2 TYR 84 HB2 TYR 84 79.002 -2.149 -9.304 639 HB3 TYR 84 HB1 TYR 84 80.100 -0.780 -9.476 640 H GLY 85 HN GLY 85 82.880 -3.679 -9.067 641 HA2 GLY 85 HA2 GLY 85 85.027 -2.965 -8.444 642 HA3 GLY 85 HA1 GLY 85 84.908 -1.763 -9.732 643 H ILE 86 HN ILE 86 83.259 0.031 -9.164 644 HA ILE 86 HA ILE 86 82.940 0.714 -6.355 645 HB ILE 86 HB ILE 86 84.303 2.977 -6.965 646 HG12 ILE 86 HG12 ILE 86 86.381 2.355 -8.156 647 HG13 ILE 86 HG11 ILE 86 85.736 0.737 -8.433 648 HG21 ILE 86 HG21 ILE 86 85.883 0.570 -6.085 649 HG22 ILE 86 HG22 ILE 86 84.573 1.186 -5.078 650 HG23 ILE 86 HG23 ILE 86 85.946 2.222 -5.469 651 HD11 ILE 86 HD11 ILE 86 85.426 2.235 -10.403 652 HD12 ILE 86 HD12 ILE 86 84.435 3.299 -9.404 653 HD13 ILE 86 HD13 ILE 86 83.895 1.656 -9.748 654 H1U RCY 87 H1U RCY 87 78.706 4.565 -2.140 655 H1S RCY 87 H1S RCY 87 80.185 0.972 -5.044 656 HB1 RCY 87 HB1 RCY 87 78.184 1.208 -8.992 657 HB2 RCY 87 HB2 RCY 87 77.807 2.550 -7.916 658 HA RCY 87 HA RCY 87 80.014 2.456 -9.524 659 HN1 RCY 87 HN1 RCY 87 80.766 0.707 -7.459 Start of MODEL 58 1 HA MET 1 HA MET 1 54.063 -4.300 11.780 2 HB2 MET 1 HB2 MET 1 55.082 -6.909 12.905 3 HB3 MET 1 HB1 MET 1 53.606 -6.170 13.525 4 HG2 MET 1 HG2 MET 1 53.987 -6.537 10.562 5 HG3 MET 1 HG1 MET 1 53.417 -7.875 11.558 6 HE1 MET 1 HE1 MET 1 51.963 -6.010 9.080 7 HE2 MET 1 HE2 MET 1 52.818 -4.664 9.831 8 HE3 MET 1 HE3 MET 1 51.060 -4.635 9.727 9 H ASN 2 HN ASN 2 54.603 -2.370 12.842 10 HA ASN 2 HA ASN 2 54.891 -2.536 15.722 11 HB2 ASN 2 HB2 ASN 2 57.278 -2.052 14.022 12 HB3 ASN 2 HB1 ASN 2 57.074 -0.933 15.369 13 HD21 ASN 2 HD21 ASN 2 56.192 -2.368 17.462 14 HD22 ASN 2 HD22 ASN 2 57.189 -3.699 17.803 15 H LEU 3 HN LEU 3 55.616 -0.001 16.362 16 HA LEU 3 HA LEU 3 53.357 1.551 15.424 17 HG LEU 3 HG LEU 3 53.902 3.990 18.020 18 HB2 LEU 3 HB2 LEU 3 54.705 1.622 17.714 19 HB3 LEU 3 HB1 LEU 3 55.676 2.814 16.856 20 HD11 LEU 3 HD11 LEU 3 54.506 4.570 15.584 21 HD12 LEU 3 HD12 LEU 3 52.982 5.208 16.201 22 HD13 LEU 3 HD13 LEU 3 52.984 3.793 15.148 23 HD21 LEU 3 HD21 LEU 3 51.716 3.286 18.119 24 HD22 LEU 3 HD22 LEU 3 52.459 1.719 17.796 25 HD23 LEU 3 HD23 LEU 3 51.741 2.643 16.477 26 H GLU 4 HN GLU 4 56.897 2.009 15.100 27 HA GLU 4 HA GLU 4 56.882 4.229 13.404 28 HB2 GLU 4 HB2 GLU 4 58.725 1.837 13.534 29 HB3 GLU 4 HB1 GLU 4 59.028 3.184 12.437 30 HG2 GLU 4 HG2 GLU 4 59.079 4.750 14.309 31 HG3 GLU 4 HG1 GLU 4 58.664 3.456 15.434 32 HA PRO 5 HA PRO 5 54.952 3.350 9.534 33 HB2 PRO 5 HB2 PRO 5 57.680 3.813 8.369 34 HB3 PRO 5 HB1 PRO 5 56.110 4.452 7.843 35 HG2 PRO 5 HG2 PRO 5 57.841 5.914 9.278 36 HG3 PRO 5 HG1 PRO 5 56.087 6.088 9.442 37 HD2 PRO 5 HD2 PRO 5 58.022 4.962 11.360 38 HD3 PRO 5 HD1 PRO 5 56.360 5.523 11.639 39 HA PRO 6 HA PRO 6 56.635 -0.907 9.252 40 HB2 PRO 6 HB2 PRO 6 54.259 -2.187 8.972 41 HB3 PRO 6 HB1 PRO 6 54.852 -1.624 10.547 42 HG2 PRO 6 HG2 PRO 6 52.785 -0.443 8.777 43 HG3 PRO 6 HG1 PRO 6 52.864 -0.499 10.544 44 HD2 PRO 6 HD2 PRO 6 53.538 1.716 8.975 45 HD3 PRO 6 HD1 PRO 6 54.030 1.469 10.664 46 H LYS 7 HN LYS 7 57.355 -1.776 7.346 47 HA LYS 7 HA LYS 7 56.094 -0.883 4.821 48 HB2 LYS 7 HB2 LYS 7 58.575 -0.797 5.114 49 HB3 LYS 7 HB1 LYS 7 58.589 -2.553 5.260 50 HG2 LYS 7 HG2 LYS 7 58.529 -2.790 3.020 51 HG3 LYS 7 HG1 LYS 7 57.085 -1.782 2.916 52 HD2 LYS 7 HD2 LYS 7 59.901 -0.687 3.162 53 HD3 LYS 7 HD1 LYS 7 59.038 -0.862 1.633 54 HE2 LYS 7 HE2 LYS 7 58.292 1.243 2.051 55 HE3 LYS 7 HE1 LYS 7 57.179 0.451 3.167 56 HZ1 LYS 7 HZ1 LYS 7 58.208 1.364 4.887 57 HZ2 LYS 7 HZ2 LYS 7 59.111 2.304 3.798 58 HZ3 LYS 7 HZ3 LYS 7 59.727 0.824 4.361 59 H ALA 8 HN ALA 8 57.610 -3.750 4.199 60 HA ALA 8 HA ALA 8 55.564 -5.647 4.965 61 HB1 ALA 8 HB1 ALA 8 54.729 -6.072 2.637 62 HB2 ALA 8 HB2 ALA 8 55.570 -4.612 2.113 63 HB3 ALA 8 HB3 ALA 8 54.245 -4.500 3.272 64 H GLU 9 HN GLU 9 56.894 -7.367 5.282 65 HA GLU 9 HA GLU 9 59.354 -7.691 3.741 66 HB2 GLU 9 HB2 GLU 9 57.987 -9.359 5.864 67 HB3 GLU 9 HB1 GLU 9 59.479 -9.868 5.074 68 HG2 GLU 9 HG2 GLU 9 59.221 -7.153 6.368 69 HG3 GLU 9 HG1 GLU 9 59.718 -8.574 7.288 70 H1U RCY 10 H1U RCY 10 57.612 -9.668 -4.740 71 H1S RCY 10 H1S RCY 10 57.121 -11.806 -0.613 72 HB1 RCY 10 HB1 RCY 10 54.930 -9.239 0.526 73 HB2 RCY 10 HB2 RCY 10 55.358 -9.748 2.159 74 HA RCY 10 HA RCY 10 57.621 -10.451 0.806 75 HN1 RCY 10 HN1 RCY 10 57.567 -7.688 1.794 76 H ARG 11 HN ARG 11 58.257 -7.369 0.283 77 HA ARG 11 HA ARG 11 58.435 -5.994 -1.616 78 HE ARG 11 HE ARG 11 63.077 -6.377 -3.280 79 HB2 ARG 11 HB2 ARG 11 58.637 -8.795 -2.725 80 HB3 ARG 11 HB1 ARG 11 58.775 -7.384 -3.773 81 HG2 ARG 11 HG2 ARG 11 60.416 -7.470 -1.268 82 HG3 ARG 11 HG1 ARG 11 60.933 -8.439 -2.648 83 HD2 ARG 11 HD2 ARG 11 60.861 -6.416 -4.080 84 HD3 ARG 11 HD1 ARG 11 60.392 -5.454 -2.678 85 HH11 ARG 11 HH21 ARG 11 60.797 -5.616 -0.809 86 HH12 ARG 11 HH22 ARG 11 62.004 -5.216 0.367 87 HH21 ARG 11 HH11 ARG 11 64.667 -5.860 -1.759 88 HH22 ARG 11 HH12 ARG 11 64.195 -5.354 -0.171 89 H SER 12 HN SER 12 57.411 -5.846 -4.037 90 HA SER 12 HA SER 12 55.417 -5.290 -5.151 91 HG SER 12 HG SER 12 54.061 -6.863 -6.558 92 HB2 SER 12 HB2 SER 12 55.500 -7.850 -5.259 93 HB3 SER 12 HB1 SER 12 54.349 -7.840 -3.926 94 H ALA 13 HN ALA 13 55.759 -4.586 -2.197 95 HA ALA 13 HA ALA 13 52.952 -3.730 -1.801 96 HB1 ALA 13 HB1 ALA 13 52.917 -5.735 -0.507 97 HB2 ALA 13 HB2 ALA 13 53.160 -4.431 0.656 98 HB3 ALA 13 HB3 ALA 13 54.525 -5.426 0.148 99 H THR 14 HN THR 14 54.953 -2.062 -2.592 100 HA THR 14 HA THR 14 55.168 -0.253 -0.294 101 HB THR 14 HB THR 14 57.175 -1.389 0.201 102 HG1 THR 14 HG1 THR 14 57.651 0.762 0.013 103 HG21 THR 14 HG21 THR 14 58.796 -2.048 -1.587 104 HG22 THR 14 HG22 THR 14 57.628 -1.508 -2.793 105 HG23 THR 14 HG23 THR 14 57.238 -2.862 -1.732 106 H ARG 15 HN ARG 15 55.188 1.863 -1.006 107 HA ARG 15 HA ARG 15 54.945 2.293 -3.904 108 HE ARG 15 HE ARG 15 53.132 7.418 -4.823 109 HB2 ARG 15 HB2 ARG 15 53.532 3.430 -2.068 110 HB3 ARG 15 HB1 ARG 15 54.948 4.440 -1.778 111 HG2 ARG 15 HG2 ARG 15 54.927 4.930 -4.293 112 HG3 ARG 15 HG1 ARG 15 53.317 4.210 -4.312 113 HD2 ARG 15 HD2 ARG 15 52.773 5.837 -2.381 114 HD3 ARG 15 HD1 ARG 15 54.243 6.687 -2.858 115 HH11 ARG 15 HH21 ARG 15 51.415 4.938 -3.153 116 HH12 ARG 15 HH22 ARG 15 49.981 5.102 -4.110 117 HH21 ARG 15 HH11 ARG 15 51.269 7.647 -6.082 118 HH22 ARG 15 HH12 ARG 15 49.898 6.636 -5.768 119 H VAL 16 HN VAL 16 57.493 1.414 -3.420 120 HA VAL 16 HA VAL 16 59.078 3.788 -4.173 121 HB VAL 16 HB VAL 16 59.765 2.048 -1.785 122 HG11 VAL 16 HG11 VAL 16 61.814 2.464 -2.936 123 HG12 VAL 16 HG12 VAL 16 61.738 3.676 -1.657 124 HG13 VAL 16 HG13 VAL 16 61.346 4.121 -3.318 125 HG21 VAL 16 HG21 VAL 16 58.213 3.740 -1.125 126 HG22 VAL 16 HG22 VAL 16 58.996 4.953 -2.138 127 HG23 VAL 16 HG23 VAL 16 59.804 4.363 -0.686 128 H MET 17 HN MET 17 58.694 0.323 -3.864 129 HA MET 17 HA MET 17 60.926 -0.060 -5.830 130 HB2 MET 17 HB2 MET 17 59.838 -1.905 -3.686 131 HB3 MET 17 HB1 MET 17 60.946 -2.436 -4.951 132 HG2 MET 17 HG2 MET 17 62.661 -0.934 -4.198 133 HG3 MET 17 HG1 MET 17 61.546 -0.114 -3.105 134 HE1 MET 17 HE1 MET 17 63.896 -0.529 -2.225 135 HE2 MET 17 HE2 MET 17 64.490 -2.018 -1.493 136 HE3 MET 17 HE3 MET 17 63.401 -0.971 -0.586 137 H GLY 18 HN GLY 18 60.504 -2.101 -7.220 138 HA2 GLY 18 HA2 GLY 18 59.173 -3.085 -8.885 139 HA3 GLY 18 HA1 GLY 18 57.914 -3.152 -7.650 140 H GLY 19 HN GLY 19 59.027 -1.507 -10.474 141 HA2 GLY 19 HA2 GLY 19 57.079 -0.421 -11.722 142 HA3 GLY 19 HA1 GLY 19 56.787 0.463 -10.223 143 HA PRO 20 HA PRO 20 59.463 2.953 -13.283 144 HB2 PRO 20 HB2 PRO 20 57.826 4.983 -11.800 145 HB3 PRO 20 HB1 PRO 20 58.300 4.951 -13.510 146 HG2 PRO 20 HG2 PRO 20 55.842 4.283 -12.728 147 HG3 PRO 20 HG1 PRO 20 56.644 3.467 -14.079 148 HD2 PRO 20 HD2 PRO 20 56.073 2.445 -11.347 149 HD3 PRO 20 HD1 PRO 20 56.298 1.548 -12.864 150 H1U RCY 21 H1U RCY 21 62.718 8.914 -8.171 151 H1S RCY 21 H1S RCY 21 65.651 5.362 -9.743 152 HB1 RCY 21 HB1 RCY 21 63.045 2.144 -10.945 153 HB2 RCY 21 HB2 RCY 21 62.456 2.458 -9.314 154 HA RCY 21 HA RCY 21 61.783 4.623 -9.827 155 HN1 RCY 21 HN1 RCY 21 61.487 3.478 -12.565 156 H THR 22 HN THR 22 62.489 6.642 -10.377 157 HA THR 22 HA THR 22 64.878 6.812 -12.166 158 HB THR 22 HB THR 22 63.263 7.794 -13.534 159 HG1 THR 22 HG1 THR 22 63.533 10.054 -13.276 160 HG21 THR 22 HG21 THR 22 61.359 7.590 -12.070 161 HG22 THR 22 HG22 THR 22 61.451 9.275 -12.583 162 HG23 THR 22 HG23 THR 22 62.006 8.812 -10.974 163 HA PRO 23 HA PRO 23 66.946 8.514 -8.595 164 HB2 PRO 23 HB2 PRO 23 67.964 10.439 -10.664 165 HB3 PRO 23 HB1 PRO 23 68.859 9.565 -9.404 166 HG2 PRO 23 HG2 PRO 23 68.861 8.766 -11.959 167 HG3 PRO 23 HG1 PRO 23 68.922 7.618 -10.613 168 HD2 PRO 23 HD2 PRO 23 66.709 8.155 -12.498 169 HD3 PRO 23 HD1 PRO 23 66.994 6.732 -11.473 170 H ARG 24 HN ARG 24 65.516 9.625 -7.277 171 HA ARG 24 HA ARG 24 63.801 11.740 -8.062 172 HE ARG 24 HE ARG 24 61.949 11.205 -7.311 173 HB2 ARG 24 HB2 ARG 24 63.636 10.451 -5.915 174 HB3 ARG 24 HB1 ARG 24 65.040 11.336 -5.321 175 HG2 ARG 24 HG2 ARG 24 63.656 12.980 -4.642 176 HG3 ARG 24 HG1 ARG 24 63.260 13.287 -6.333 177 HD2 ARG 24 HD2 ARG 24 61.835 11.429 -4.415 178 HD3 ARG 24 HD1 ARG 24 61.180 12.856 -5.218 179 HH11 ARG 24 HH21 ARG 24 59.996 10.931 -4.483 180 HH12 ARG 24 HH22 ARG 24 58.915 9.771 -5.180 181 HH21 ARG 24 HH11 ARG 24 60.549 9.693 -8.238 182 HH22 ARG 24 HH12 ARG 24 59.228 9.070 -7.306 183 H LYS 25 HN LYS 25 65.675 12.958 -5.506 184 HA LYS 25 HA LYS 25 66.296 15.401 -6.744 185 HB2 LYS 25 HB2 LYS 25 67.627 13.913 -4.475 186 HB3 LYS 25 HB1 LYS 25 68.164 15.515 -4.979 187 HG2 LYS 25 HG2 LYS 25 66.074 16.507 -4.436 188 HG3 LYS 25 HG1 LYS 25 65.272 14.940 -4.325 189 HD2 LYS 25 HD2 LYS 25 65.612 15.489 -2.071 190 HD3 LYS 25 HD1 LYS 25 67.004 14.465 -2.427 191 HE2 LYS 25 HE2 LYS 25 68.031 16.849 -3.152 192 HE3 LYS 25 HE1 LYS 25 66.887 17.396 -1.926 193 HZ1 LYS 25 HZ1 LYS 25 69.271 16.674 -1.249 194 HZ2 LYS 25 HZ2 LYS 25 68.630 15.104 -1.347 195 HZ3 LYS 25 HZ3 LYS 25 67.949 16.237 -0.280 196 H GLY 26 HN GLY 26 68.781 16.099 -6.995 197 HA2 GLY 26 HA2 GLY 26 69.823 14.409 -9.155 198 HA3 GLY 26 HA1 GLY 26 70.479 15.968 -8.652 199 HA PRO 27 HA PRO 27 72.606 11.871 -6.828 200 HB2 PRO 27 HB2 PRO 27 74.619 12.693 -8.889 201 HB3 PRO 27 HB1 PRO 27 74.197 11.068 -8.311 202 HG2 PRO 27 HG2 PRO 27 73.326 11.992 -10.658 203 HG3 PRO 27 HG1 PRO 27 72.333 10.932 -9.645 204 HD2 PRO 27 HD2 PRO 27 72.020 13.840 -10.185 205 HD3 PRO 27 HD1 PRO 27 70.795 12.639 -9.721 206 HA PRO 28 HA PRO 28 74.416 15.052 -4.151 207 HB2 PRO 28 HB2 PRO 28 76.046 12.660 -3.354 208 HB3 PRO 28 HB1 PRO 28 75.244 13.867 -2.329 209 HG2 PRO 28 HG2 PRO 28 74.198 11.444 -2.717 210 HG3 PRO 28 HG1 PRO 28 73.179 12.883 -2.560 211 HD2 PRO 28 HD2 PRO 28 73.765 11.261 -4.979 212 HD3 PRO 28 HD1 PRO 28 72.369 12.305 -4.631 213 H LYS 29 HN LYS 29 76.162 16.397 -4.503 214 HA LYS 29 HA LYS 29 77.884 16.106 -6.704 215 HB2 LYS 29 HB2 LYS 29 79.331 17.815 -5.539 216 HB3 LYS 29 HB1 LYS 29 77.629 18.263 -5.649 217 HG2 LYS 29 HG2 LYS 29 77.227 17.669 -3.367 218 HG3 LYS 29 HG1 LYS 29 78.789 16.860 -3.233 219 HD2 LYS 29 HD2 LYS 29 79.951 19.001 -3.510 220 HD3 LYS 29 HD1 LYS 29 78.407 19.830 -3.717 221 HE2 LYS 29 HE2 LYS 29 79.406 19.955 -1.378 222 HE3 LYS 29 HE1 LYS 29 77.749 19.358 -1.463 223 HZ1 LYS 29 HZ1 LYS 29 78.413 17.198 -1.079 224 HZ2 LYS 29 HZ2 LYS 29 79.469 18.072 -0.075 225 HZ3 LYS 29 HZ3 LYS 29 80.013 17.477 -1.570 226 H1U RCY 30 H1U RCY 30 82.361 5.804 -6.156 227 H1S RCY 30 H1S RCY 30 80.921 9.575 -5.160 228 HB1 RCY 30 HB1 RCY 30 80.578 12.313 -6.691 229 HB2 RCY 30 HB2 RCY 30 79.765 12.574 -5.147 230 HA RCY 30 HA RCY 30 81.562 14.335 -4.666 231 HN1 RCY 30 HN1 RCY 30 80.088 15.455 -6.887 232 H LYS 31 HN LYS 31 82.906 15.975 -5.863 233 HA LYS 31 HA LYS 31 83.828 15.489 -8.534 234 HB2 LYS 31 HB2 LYS 31 85.533 16.862 -6.469 235 HB3 LYS 31 HB1 LYS 31 85.313 17.262 -8.173 236 HG2 LYS 31 HG2 LYS 31 82.857 17.754 -7.551 237 HG3 LYS 31 HG1 LYS 31 83.417 17.753 -5.878 238 HD2 LYS 31 HD2 LYS 31 84.361 19.552 -8.124 239 HD3 LYS 31 HD1 LYS 31 83.506 20.033 -6.657 240 HE2 LYS 31 HE2 LYS 31 85.710 20.531 -6.083 241 HE3 LYS 31 HE1 LYS 31 85.546 18.896 -5.443 242 HZ1 LYS 31 HZ1 LYS 31 87.387 19.782 -7.295 243 HZ2 LYS 31 HZ2 LYS 31 86.288 18.832 -8.176 244 HZ3 LYS 31 HZ3 LYS 31 87.094 18.176 -6.832 245 H GLN 32 HN GLN 32 84.103 13.048 -8.092 246 HA GLN 32 HA GLN 32 86.729 12.434 -6.820 247 HB2 GLN 32 HB2 GLN 32 84.527 11.135 -6.331 248 HB3 GLN 32 HB1 GLN 32 84.793 10.391 -7.908 249 HG2 GLN 32 HG2 GLN 32 85.848 8.942 -6.331 250 HG3 GLN 32 HG1 GLN 32 87.156 9.846 -7.095 251 HE21 GLN 32 HE21 GLN 32 88.537 10.982 -5.705 252 HE22 GLN 32 HE22 GLN 32 88.213 11.295 -4.069 253 H ARG 33 HN ARG 33 86.400 9.918 -8.729 254 HA ARG 33 HA ARG 33 87.176 11.093 -11.303 255 HE ARG 33 HE ARG 33 88.281 12.558 -11.451 256 HB2 ARG 33 HB2 ARG 33 89.247 11.023 -9.756 257 HB3 ARG 33 HB1 ARG 33 89.165 9.274 -9.948 258 HG2 ARG 33 HG2 ARG 33 90.397 9.594 -11.825 259 HG3 ARG 33 HG1 ARG 33 88.894 10.168 -12.548 260 HD2 ARG 33 HD2 ARG 33 91.124 11.797 -11.327 261 HD3 ARG 33 HD1 ARG 33 90.442 11.917 -12.949 262 HH11 ARG 33 HH21 ARG 33 91.601 13.464 -11.251 263 HH12 ARG 33 HH22 ARG 33 91.272 15.023 -10.572 264 HH21 ARG 33 HH11 ARG 33 87.832 14.589 -10.565 265 HH22 ARG 33 HH12 ARG 33 89.139 15.660 -10.183 266 H GLN 34 HN GLN 34 88.081 7.944 -9.961 267 HA GLN 34 HA GLN 34 85.801 6.606 -11.197 268 HB2 GLN 34 HB2 GLN 34 88.197 7.025 -12.735 269 HB3 GLN 34 HB1 GLN 34 88.040 5.302 -12.412 270 HG2 GLN 34 HG2 GLN 34 85.746 6.989 -13.438 271 HG3 GLN 34 HG1 GLN 34 86.853 6.127 -14.507 272 HE21 GLN 34 HE21 GLN 34 85.769 4.908 -11.335 273 HE22 GLN 34 HE22 GLN 34 84.902 3.587 -11.955 274 H THR 35 HN THR 35 86.136 6.348 -8.671 275 HA THR 35 HA THR 35 87.003 5.063 -6.845 276 HB THR 35 HB THR 35 85.144 3.738 -7.213 277 HG1 THR 35 HG1 THR 35 86.811 2.373 -6.486 278 HG21 THR 35 HG21 THR 35 85.008 4.218 -9.620 279 HG22 THR 35 HG22 THR 35 84.738 2.502 -9.317 280 HG23 THR 35 HG23 THR 35 86.295 3.054 -9.934 281 H ARG 36 HN ARG 36 89.309 5.410 -6.988 282 HA ARG 36 HA ARG 36 90.826 3.002 -7.355 283 HE ARG 36 HE ARG 36 92.301 6.642 -11.593 284 HB2 ARG 36 HB2 ARG 36 92.255 3.840 -9.267 285 HB3 ARG 36 HB1 ARG 36 90.616 3.387 -9.721 286 HG2 ARG 36 HG2 ARG 36 90.767 5.456 -10.764 287 HG3 ARG 36 HG1 ARG 36 90.120 5.945 -9.198 288 HD2 ARG 36 HD2 ARG 36 91.924 7.261 -8.919 289 HD3 ARG 36 HD1 ARG 36 92.925 5.809 -8.878 290 HH11 ARG 36 HH21 ARG 36 94.302 7.116 -8.827 291 HH12 ARG 36 HH22 ARG 36 95.639 7.738 -9.735 292 HH21 ARG 36 HH11 ARG 36 94.035 7.452 -12.796 293 HH22 ARG 36 HH12 ARG 36 95.488 7.928 -11.982 294 H GLN 37 HN GLN 37 90.367 5.924 -6.024 295 HA GLN 37 HA GLN 37 93.280 6.351 -5.462 296 HB2 GLN 37 HB2 GLN 37 91.778 8.216 -6.536 297 HB3 GLN 37 HB1 GLN 37 91.153 8.407 -4.898 298 HG2 GLN 37 HG2 GLN 37 92.964 9.927 -5.001 299 HG3 GLN 37 HG1 GLN 37 93.631 8.521 -4.171 300 HE21 GLN 37 HE21 GLN 37 95.741 8.255 -4.927 301 HE22 GLN 37 HE22 GLN 37 96.201 8.314 -6.560 302 H1U RCY 38 H1U RCY 38 87.201 -0.343 -1.722 303 H1S RCY 38 H1S RCY 38 86.706 4.177 -1.326 304 HB1 RCY 38 HB1 RCY 38 89.650 3.721 -0.908 305 HB2 RCY 38 HB2 RCY 38 89.807 3.219 -2.591 306 HA RCY 38 HA RCY 38 91.074 5.716 -1.427 307 HN1 RCY 38 HN1 RCY 38 91.116 4.557 -4.158 308 H LYS 39 HN LYS 39 92.408 2.966 -3.225 309 HA LYS 39 HA LYS 39 94.037 1.401 -2.625 310 HB2 LYS 39 HB2 LYS 39 95.281 3.615 -2.446 311 HB3 LYS 39 HB1 LYS 39 94.983 3.548 -0.715 312 HG2 LYS 39 HG2 LYS 39 97.126 2.564 -0.979 313 HG3 LYS 39 HG1 LYS 39 96.032 1.192 -0.802 314 HD2 LYS 39 HD2 LYS 39 97.584 0.821 -2.676 315 HD3 LYS 39 HD1 LYS 39 95.927 0.966 -3.264 316 HE2 LYS 39 HE2 LYS 39 97.428 3.511 -3.077 317 HE3 LYS 39 HE1 LYS 39 98.015 2.377 -4.293 318 HZ1 LYS 39 HZ1 LYS 39 96.068 2.462 -5.453 319 HZ2 LYS 39 HZ2 LYS 39 96.100 4.044 -4.834 320 HZ3 LYS 39 HZ3 LYS 39 95.130 2.861 -4.096 321 H SER 40 HN SER 40 94.033 2.923 0.574 322 HA SER 40 HA SER 40 92.287 0.880 1.721 323 HG SER 40 HG SER 40 93.660 -1.389 1.627 324 HB2 SER 40 HB2 SER 40 95.275 0.806 2.213 325 HB3 SER 40 HB1 SER 40 94.099 -0.023 3.228 326 H LYS 41 HN LYS 41 92.589 1.068 4.291 327 HA LYS 41 HA LYS 41 93.179 3.895 5.019 328 HB2 LYS 41 HB2 LYS 41 90.834 2.892 6.437 329 HB3 LYS 41 HB1 LYS 41 91.023 4.388 5.524 330 HG2 LYS 41 HG2 LYS 41 90.591 3.211 3.428 331 HG3 LYS 41 HG1 LYS 41 90.505 1.670 4.282 332 HD2 LYS 41 HD2 LYS 41 88.254 2.169 4.200 333 HD3 LYS 41 HD1 LYS 41 88.670 2.988 5.706 334 HE2 LYS 41 HE2 LYS 41 88.706 4.344 2.998 335 HE3 LYS 41 HE1 LYS 41 87.332 4.403 4.102 336 HZ1 LYS 41 HZ1 LYS 41 89.979 5.631 4.356 337 HZ2 LYS 41 HZ2 LYS 41 89.185 5.139 5.775 338 HZ3 LYS 41 HZ3 LYS 41 88.452 6.265 4.736 339 HA PRO 42 HA PRO 42 94.848 2.360 8.804 340 HB2 PRO 42 HB2 PRO 42 92.830 3.682 10.529 341 HB3 PRO 42 HB1 PRO 42 94.578 3.961 10.430 342 HG2 PRO 42 HG2 PRO 42 92.783 5.715 9.487 343 HG3 PRO 42 HG1 PRO 42 94.374 5.486 8.744 344 HD2 PRO 42 HD2 PRO 42 91.699 4.519 7.803 345 HD3 PRO 42 HD1 PRO 42 93.099 5.067 6.853 346 HA PRO 43 HA PRO 43 92.640 -1.228 10.155 347 HB2 PRO 43 HB2 PRO 43 93.522 -1.488 12.771 348 HB3 PRO 43 HB1 PRO 43 94.456 -1.975 11.345 349 HG2 PRO 43 HG2 PRO 43 94.678 0.482 12.999 350 HG3 PRO 43 HG1 PRO 43 95.948 -0.481 12.226 351 HD2 PRO 43 HD2 PRO 43 95.077 1.887 11.192 352 HD3 PRO 43 HD1 PRO 43 95.676 0.562 10.169 353 H LYS 44 HN LYS 44 90.499 -1.338 10.663 354 HA LYS 44 HA LYS 44 89.515 0.125 13.073 355 HB2 LYS 44 HB2 LYS 44 89.091 1.367 10.850 356 HB3 LYS 44 HB1 LYS 44 87.962 0.063 10.482 357 HG2 LYS 44 HG2 LYS 44 87.066 0.606 12.923 358 HG3 LYS 44 HG1 LYS 44 87.788 2.181 12.591 359 HD2 LYS 44 HD2 LYS 44 85.697 0.761 10.918 360 HD3 LYS 44 HD1 LYS 44 85.468 2.229 11.869 361 HE2 LYS 44 HE2 LYS 44 87.087 1.864 9.348 362 HE3 LYS 44 HE1 LYS 44 85.791 3.019 9.661 363 HZ1 LYS 44 HZ1 LYS 44 87.563 4.368 9.982 364 HZ2 LYS 44 HZ2 LYS 44 88.597 3.107 10.458 365 HZ3 LYS 44 HZ3 LYS 44 87.463 3.738 11.554 366 H LYS 45 HN LYS 45 90.092 -2.659 12.850 367 HA LYS 45 HA LYS 45 89.091 -4.744 13.242 368 HB2 LYS 45 HB2 LYS 45 87.963 -3.290 15.014 369 HB3 LYS 45 HB1 LYS 45 86.597 -3.161 13.906 370 HG2 LYS 45 HG2 LYS 45 86.795 -5.786 13.818 371 HG3 LYS 45 HG1 LYS 45 87.637 -5.577 15.354 372 HD2 LYS 45 HD2 LYS 45 84.839 -4.626 14.680 373 HD3 LYS 45 HD1 LYS 45 85.273 -5.909 15.810 374 HE2 LYS 45 HE2 LYS 45 85.015 -4.145 17.289 375 HE3 LYS 45 HE1 LYS 45 86.730 -3.980 16.911 376 HZ1 LYS 45 HZ1 LYS 45 85.121 -2.644 14.989 377 HZ2 LYS 45 HZ2 LYS 45 86.365 -2.026 15.966 378 HZ3 LYS 45 HZ3 LYS 45 84.771 -2.084 16.551 379 H GLY 46 HN GLY 46 86.147 -3.037 12.198 380 HA2 GLY 46 HA2 GLY 46 84.667 -3.547 10.448 381 HA3 GLY 46 HA1 GLY 46 86.131 -3.729 9.480 382 H VAL 47 HN VAL 47 87.026 -5.837 9.214 383 HA VAL 47 HA VAL 47 85.596 -8.125 10.421 384 HB VAL 47 HB VAL 47 85.718 -7.649 7.427 385 HG11 VAL 47 HG11 VAL 47 84.894 -10.047 9.080 386 HG12 VAL 47 HG12 VAL 47 86.114 -9.982 7.807 387 HG13 VAL 47 HG13 VAL 47 84.404 -9.832 7.399 388 HG21 VAL 47 HG21 VAL 47 83.883 -6.426 8.351 389 HG22 VAL 47 HG22 VAL 47 83.479 -7.736 9.462 390 HG23 VAL 47 HG23 VAL 47 83.189 -7.925 7.732 391 H GLN 48 HN GLN 48 87.579 -7.964 7.477 392 HA GLN 48 HA GLN 48 90.059 -8.627 8.775 393 HB2 GLN 48 HB2 GLN 48 88.472 -10.761 8.917 394 HB3 GLN 48 HB1 GLN 48 89.000 -10.985 7.251 395 HG2 GLN 48 HG2 GLN 48 90.612 -12.170 8.503 396 HG3 GLN 48 HG1 GLN 48 91.395 -10.622 8.181 397 HE21 GLN 48 HE21 GLN 48 91.366 -8.997 9.980 398 HE22 GLN 48 HE22 GLN 48 91.226 -9.531 11.585 399 H GLY 49 HN GLY 49 89.091 -6.866 6.697 400 HA2 GLY 49 HA2 GLY 49 90.190 -6.043 4.747 401 HA3 GLY 49 HA1 GLY 49 91.023 -7.591 4.592 402 H1U RCY 50 H1U RCY 50 80.352 -7.308 1.974 403 H1S RCY 50 H1S RCY 50 85.109 -6.664 2.219 404 HB1 RCY 50 HB1 RCY 50 88.060 -5.908 0.343 405 HB2 RCY 50 HB2 RCY 50 87.217 -5.954 1.892 406 HA RCY 50 HA RCY 50 87.693 -8.508 1.827 407 HN1 RCY 50 HN1 RCY 50 90.124 -6.842 2.259 408 H GLY 51 HN GLY 51 87.851 -7.414 -1.043 409 HA2 GLY 51 HA2 GLY 51 90.414 -8.598 -1.941 410 HA3 GLY 51 HA1 GLY 51 88.934 -9.388 -2.486 411 H ASP 52 HN ASP 52 89.032 -5.929 -2.002 412 HA ASP 52 HA ASP 52 88.687 -4.176 -3.521 413 HB2 ASP 52 HB2 ASP 52 90.568 -5.959 -5.091 414 HB3 ASP 52 HB1 ASP 52 90.084 -4.351 -5.630 415 H ASP 53 HN ASP 53 86.619 -4.052 -4.263 416 HA ASP 53 HA ASP 53 85.219 -6.107 -5.640 417 HB2 ASP 53 HB2 ASP 53 84.769 -3.107 -5.706 418 HB3 ASP 53 HB1 ASP 53 83.608 -4.318 -6.253 419 H ILE 54 HN ILE 54 84.206 -5.376 -7.968 420 HA ILE 54 HA ILE 54 86.455 -5.568 -9.797 421 HB ILE 54 HB ILE 54 84.251 -5.057 -11.391 422 HG12 ILE 54 HG12 ILE 54 82.983 -4.954 -9.130 423 HG13 ILE 54 HG11 ILE 54 82.307 -5.975 -10.399 424 HG21 ILE 54 HG21 ILE 54 85.631 -6.949 -11.792 425 HG22 ILE 54 HG22 ILE 54 84.053 -7.624 -11.386 426 HG23 ILE 54 HG23 ILE 54 85.340 -7.602 -10.180 427 HD11 ILE 54 HD11 ILE 54 84.292 -7.252 -8.590 428 HD12 ILE 54 HD12 ILE 54 82.822 -7.921 -9.298 429 HD13 ILE 54 HD13 ILE 54 82.721 -6.867 -7.887 430 HA PRO 55 HA PRO 55 86.900 -1.198 -10.487 431 HB2 PRO 55 HB2 PRO 55 88.250 -1.215 -12.846 432 HB3 PRO 55 HB1 PRO 55 88.993 -1.750 -11.325 433 HG2 PRO 55 HG2 PRO 55 87.848 -3.386 -13.535 434 HG3 PRO 55 HG1 PRO 55 89.318 -3.648 -12.581 435 HD2 PRO 55 HD2 PRO 55 86.946 -4.960 -12.098 436 HD3 PRO 55 HD1 PRO 55 88.171 -4.655 -10.847 437 H GLY 56 HN GLY 56 84.331 -1.579 -10.947 438 HA2 GLY 56 HA2 GLY 56 83.577 0.204 -12.986 439 HA3 GLY 56 HA1 GLY 56 83.454 -1.413 -13.681 440 H MET 57 HN MET 57 81.850 -2.831 -12.899 441 HA MET 57 HA MET 57 80.280 -2.545 -10.591 442 HB2 MET 57 HB2 MET 57 79.659 -0.538 -12.584 443 HB3 MET 57 HB1 MET 57 78.274 -1.608 -12.384 444 HG2 MET 57 HG2 MET 57 78.161 -1.182 -10.034 445 HG3 MET 57 HG1 MET 57 79.742 -0.400 -10.030 446 HE1 MET 57 HE1 MET 57 79.144 1.810 -8.949 447 HE2 MET 57 HE2 MET 57 78.957 3.105 -10.129 448 HE3 MET 57 HE3 MET 57 80.213 1.889 -10.355 449 H GLU 58 HN GLU 58 80.493 -4.828 -10.886 450 HA GLU 58 HA GLU 58 78.492 -5.959 -12.792 451 HB2 GLU 58 HB2 GLU 58 80.929 -6.176 -13.603 452 HB3 GLU 58 HB1 GLU 58 81.149 -7.299 -12.260 453 HG2 GLU 58 HG2 GLU 58 80.564 -8.654 -14.135 454 HG3 GLU 58 HG1 GLU 58 79.103 -8.547 -13.154 455 H GLY 59 HN GLY 59 80.422 -6.328 -9.851 456 HA2 GLY 59 HA2 GLY 59 78.829 -8.652 -8.984 457 HA3 GLY 59 HA1 GLY 59 80.151 -7.907 -8.081 458 H1U RCY 60 H1U RCY 60 77.773 -4.828 -0.640 459 H1S RCY 60 H1S RCY 60 79.979 -4.532 -4.002 460 HB1 RCY 60 HB1 RCY 60 77.011 -3.626 -5.868 461 HB2 RCY 60 HB2 RCY 60 77.833 -3.041 -7.315 462 HA RCY 60 HA RCY 60 76.296 -5.590 -6.902 463 HN1 RCY 60 HN1 RCY 60 78.209 -5.454 -9.169 464 H GLY 61 HN GLY 61 75.606 -5.924 -9.540 465 HA2 GLY 61 HA2 GLY 61 74.005 -3.480 -10.029 466 HA3 GLY 61 HA1 GLY 61 75.041 -4.038 -11.347 467 H THR 62 HN THR 62 73.831 -6.481 -9.285 468 HA THR 62 HA THR 62 71.335 -6.983 -10.667 469 HB THR 62 HB THR 62 73.841 -8.452 -11.487 470 HG1 THR 62 HG1 THR 62 71.808 -7.989 -13.256 471 HG21 THR 62 HG21 THR 62 72.171 -10.066 -12.610 472 HG22 THR 62 HG22 THR 62 70.997 -9.457 -11.443 473 HG23 THR 62 HG23 THR 62 72.457 -10.273 -10.882 474 H ASP 63 HN ASP 63 73.931 -9.072 -9.342 475 HA ASP 63 HA ASP 63 72.146 -10.668 -7.782 476 HB2 ASP 63 HB2 ASP 63 74.151 -11.499 -6.667 477 HB3 ASP 63 HB1 ASP 63 74.484 -11.325 -8.391 478 H ILE 64 HN ILE 64 73.442 -7.515 -7.295 479 HA ILE 64 HA ILE 64 73.406 -7.365 -4.450 480 HB ILE 64 HB ILE 64 74.400 -5.475 -5.354 481 HG12 ILE 64 HG12 ILE 64 71.531 -4.496 -5.332 482 HG13 ILE 64 HG11 ILE 64 72.460 -4.792 -3.861 483 HG21 ILE 64 HG21 ILE 64 72.300 -5.747 -7.503 484 HG22 ILE 64 HG22 ILE 64 74.054 -5.840 -7.662 485 HG23 ILE 64 HG23 ILE 64 73.276 -4.285 -7.365 486 HD11 ILE 64 HD11 ILE 64 74.113 -3.142 -4.497 487 HD12 ILE 64 HD12 ILE 64 72.521 -2.397 -4.638 488 HD13 ILE 64 HD13 ILE 64 73.370 -2.944 -6.084 489 H THR 65 HN THR 65 70.945 -8.044 -6.531 490 HA THR 65 HA THR 65 68.575 -7.527 -6.481 491 HB THR 65 HB THR 65 68.867 -9.735 -5.509 492 HG1 THR 65 HG1 THR 65 66.833 -9.417 -5.116 493 HG21 THR 65 HG21 THR 65 69.233 -10.004 -3.079 494 HG22 THR 65 HG22 THR 65 69.365 -8.253 -2.911 495 HG23 THR 65 HG23 THR 65 70.572 -9.144 -3.839 496 H VAL 66 HN VAL 66 69.722 -5.140 -5.763 497 HA VAL 66 HA VAL 66 69.123 -3.146 -4.672 498 HB VAL 66 HB VAL 66 67.051 -4.605 -3.046 499 HG11 VAL 66 HG11 VAL 66 67.107 -1.920 -4.459 500 HG12 VAL 66 HG12 VAL 66 67.421 -2.176 -2.743 501 HG13 VAL 66 HG13 VAL 66 65.819 -2.503 -3.404 502 HG21 VAL 66 HG21 VAL 66 66.325 -5.537 -5.015 503 HG22 VAL 66 HG22 VAL 66 67.166 -4.346 -6.007 504 HG23 VAL 66 HG23 VAL 66 65.629 -3.933 -5.248 505 H ILE 67 HN ILE 67 69.186 -6.092 -2.728 506 HA ILE 67 HA ILE 67 71.025 -4.735 -0.819 507 HB ILE 67 HB ILE 67 68.628 -6.456 -0.103 508 HG12 ILE 67 HG12 ILE 67 68.915 -4.093 1.471 509 HG13 ILE 67 HG11 ILE 67 69.105 -3.630 -0.221 510 HG21 ILE 67 HG21 ILE 67 70.368 -7.249 1.304 511 HG22 ILE 67 HG22 ILE 67 69.528 -6.040 2.275 512 HG23 ILE 67 HG23 ILE 67 71.057 -5.637 1.495 513 HD11 ILE 67 HD11 ILE 67 66.747 -3.528 0.314 514 HD12 ILE 67 HD12 ILE 67 66.787 -5.152 1.003 515 HD13 ILE 67 HD13 ILE 67 67.005 -4.924 -0.732 516 H1U RCY 68 H1U RCY 68 70.394 -2.101 -0.662 517 H1S RCY 68 H1S RCY 68 72.427 -5.477 -2.308 518 HB1 RCY 68 HB1 RCY 68 74.922 -8.228 -2.990 519 HB2 RCY 68 HB2 RCY 68 75.361 -7.661 -1.379 520 HA RCY 68 HA RCY 68 72.771 -8.606 -2.386 521 HN1 RCY 68 HN1 RCY 68 72.828 -5.851 -1.619 522 HA PRO 69 HA PRO 69 72.595 -10.444 1.647 523 HB2 PRO 69 HB2 PRO 69 73.396 -12.982 1.009 524 HB3 PRO 69 HB1 PRO 69 71.791 -12.335 0.616 525 HG2 PRO 69 HG2 PRO 69 74.183 -12.629 -1.130 526 HG3 PRO 69 HG1 PRO 69 72.474 -12.913 -1.498 527 HD2 PRO 69 HD2 PRO 69 73.801 -10.640 -2.259 528 HD3 PRO 69 HD1 PRO 69 72.055 -10.676 -1.925 529 H TRP 70 HN TRP 70 75.613 -10.599 -0.191 530 HA TRP 70 HA TRP 70 77.127 -11.609 2.092 531 HD1 TRP 70 HD1 TRP 70 76.060 -11.215 -1.696 532 HE1 TRP 70 HE1 TRP 70 76.234 -9.394 -3.510 533 HE3 TRP 70 HE3 TRP 70 80.273 -8.800 -0.118 534 HZ2 TRP 70 HZ2 TRP 70 77.938 -7.197 -4.203 535 HZ3 TRP 70 HZ3 TRP 70 81.148 -6.851 -1.370 536 HH2 TRP 70 HH2 TRP 70 79.989 -6.046 -3.407 537 HB2 TRP 70 HB2 TRP 70 79.125 -10.888 0.642 538 HB3 TRP 70 HB1 TRP 70 78.084 -12.155 -0.001 539 H GLU 71 HN GLU 71 75.678 -8.700 1.539 540 HA GLU 71 HA GLU 71 77.300 -7.407 3.610 541 HB2 GLU 71 HB2 GLU 71 77.368 -6.536 0.736 542 HB3 GLU 71 HB1 GLU 71 77.389 -5.296 1.987 543 HG2 GLU 71 HG2 GLU 71 79.296 -6.604 3.070 544 HG3 GLU 71 HG1 GLU 71 79.370 -7.546 1.580 545 H ALA 72 HN ALA 72 74.756 -8.191 3.914 546 HA ALA 72 HA ALA 72 72.707 -6.424 3.038 547 HB1 ALA 72 HB1 ALA 72 72.751 -7.805 5.729 548 HB2 ALA 72 HB2 ALA 72 72.435 -8.671 4.226 549 HB3 ALA 72 HB3 ALA 72 71.345 -7.387 4.750 550 H1U RCY 73 H1U RCY 73 73.141 2.779 2.004 551 H1S RCY 73 H1S RCY 73 71.001 -1.329 1.663 552 HB1 RCY 73 HB1 RCY 73 73.238 -1.701 3.437 553 HB2 RCY 73 HB2 RCY 73 72.588 -0.980 4.909 554 HA RCY 73 HA RCY 73 74.185 -2.883 5.326 555 HN1 RCY 73 HN1 RCY 73 72.579 -4.275 3.428 556 H ASN 74 HN ASN 74 71.741 -5.000 5.956 557 HA ASN 74 HA ASN 74 70.584 -3.505 8.236 558 HB2 ASN 74 HB2 ASN 74 69.212 -4.997 6.684 559 HB3 ASN 74 HB1 ASN 74 70.027 -6.370 7.435 560 HD21 ASN 74 HD21 ASN 74 67.363 -6.422 7.870 561 HD22 ASN 74 HD22 ASN 74 66.958 -5.882 9.427 562 H HIS 75 HN HIS 75 72.618 -6.356 7.605 563 HA HIS 75 HA HIS 75 72.962 -6.811 10.503 564 HD1 HIS 75 HD1 HIS 75 73.422 -10.066 11.175 565 HD2 HIS 75 HD2 HIS 75 70.920 -8.769 8.100 566 HE1 HIS 75 HE1 HIS 75 71.240 -11.323 11.450 567 HE2 HIS 75 HE2 HIS 75 69.708 -10.542 9.584 568 HB2 HIS 75 HB2 HIS 75 73.813 -8.242 7.998 569 HB3 HIS 75 HB1 HIS 75 74.632 -8.593 9.519 570 H1U RCY 76 H1U RCY 76 75.985 -0.907 4.172 571 H1S RCY 76 H1S RCY 76 77.757 -1.081 8.666 572 HB1 RCY 76 HB1 RCY 76 76.050 -3.733 9.438 573 HB2 RCY 76 HB2 RCY 76 76.501 -3.756 7.734 574 HA RCY 76 HA RCY 76 77.611 -5.872 7.967 575 HN1 RCY 76 HN1 RCY 76 75.474 -6.830 7.985 576 H GLU 77 HN GLU 77 79.443 -6.186 9.189 577 HA GLU 77 HA GLU 77 79.358 -7.545 11.638 578 HB2 GLU 77 HB2 GLU 77 81.346 -7.011 9.959 579 HB3 GLU 77 HB1 GLU 77 81.668 -5.707 11.101 580 HG2 GLU 77 HG2 GLU 77 82.945 -7.557 11.890 581 HG3 GLU 77 HG1 GLU 77 81.530 -7.491 12.940 582 H LEU 78 HN LEU 78 79.728 -4.040 11.080 583 HA LEU 78 HA LEU 78 79.816 -3.463 13.937 584 HG LEU 78 HG LEU 78 81.546 -1.833 13.794 585 HB2 LEU 78 HB2 LEU 78 79.643 -1.802 11.430 586 HB3 LEU 78 HB1 LEU 78 79.357 -1.057 13.003 587 HD11 LEU 78 HD11 LEU 78 81.658 -3.091 11.045 588 HD12 LEU 78 HD12 LEU 78 81.834 -3.888 12.609 589 HD13 LEU 78 HD13 LEU 78 83.102 -2.815 12.018 590 HD21 LEU 78 HD21 LEU 78 82.975 -0.509 12.183 591 HD22 LEU 78 HD22 LEU 78 81.530 0.339 12.732 592 HD23 LEU 78 HD23 LEU 78 81.567 -0.391 11.127 593 H HIS 79 HN HIS 79 77.678 -4.982 13.860 594 HA HIS 79 HA HIS 79 75.191 -3.785 13.129 595 HD1 HIS 79 HD1 HIS 79 74.240 -4.941 17.020 596 HD2 HIS 79 HD2 HIS 79 77.662 -6.853 15.593 597 HE1 HIS 79 HE1 HIS 79 75.542 -5.693 19.059 598 HE2 HIS 79 HE2 HIS 79 77.627 -6.859 18.204 599 HB2 HIS 79 HB2 HIS 79 74.158 -5.492 14.469 600 HB3 HIS 79 HB1 HIS 79 75.595 -6.219 13.750 601 H GLU 80 HN GLU 80 77.369 -2.510 15.157 602 HA GLU 80 HA GLU 80 75.777 -1.848 17.475 603 HB2 GLU 80 HB2 GLU 80 78.239 -1.771 17.519 604 HB3 GLU 80 HB1 GLU 80 78.225 -0.475 16.323 605 HG2 GLU 80 HG2 GLU 80 77.079 1.011 17.850 606 HG3 GLU 80 HG1 GLU 80 76.856 -0.291 19.020 607 H LEU 81 HN LEU 81 77.157 0.723 15.492 608 HA LEU 81 HA LEU 81 74.779 2.342 15.832 609 HG LEU 81 HG LEU 81 77.341 1.613 13.497 610 HB2 LEU 81 HB2 LEU 81 75.998 3.890 14.215 611 HB3 LEU 81 HB1 LEU 81 76.854 3.512 15.709 612 HD11 LEU 81 HD11 LEU 81 78.916 3.152 12.350 613 HD12 LEU 81 HD12 LEU 81 78.345 4.474 13.368 614 HD13 LEU 81 HD13 LEU 81 77.248 3.709 12.219 615 HD21 LEU 81 HD21 LEU 81 79.348 3.186 15.110 616 HD22 LEU 81 HD22 LEU 81 79.510 1.567 14.430 617 HD23 LEU 81 HD23 LEU 81 78.469 1.837 15.828 618 H ALA 82 HN ALA 82 75.308 -0.223 13.807 619 HA ALA 82 HA ALA 82 74.339 0.716 11.289 620 HB1 ALA 82 HB1 ALA 82 73.918 -1.602 10.767 621 HB2 ALA 82 HB2 ALA 82 73.848 -2.028 12.477 622 HB3 ALA 82 HB3 ALA 82 75.382 -1.549 11.750 623 H GLN 83 HN GLN 83 72.168 -1.673 12.061 624 HA GLN 83 HA GLN 83 69.897 -1.691 12.671 625 HB2 GLN 83 HB2 GLN 83 70.863 0.106 14.411 626 HB3 GLN 83 HB1 GLN 83 69.904 1.206 13.422 627 HG2 GLN 83 HG2 GLN 83 67.909 -0.163 13.772 628 HG3 GLN 83 HG1 GLN 83 68.851 -1.344 14.683 629 HE21 GLN 83 HE21 GLN 83 68.215 -1.087 16.840 630 HE22 GLN 83 HE22 GLN 83 68.137 0.402 17.651 631 H TYR 84 HN TYR 84 70.791 1.510 11.304 632 HA TYR 84 HA TYR 84 68.849 0.977 9.097 633 HD1 TYR 84 HD2 TYR 84 66.593 0.885 9.744 634 HD2 TYR 84 HD1 TYR 84 68.189 3.512 12.744 635 HE1 TYR 84 HE2 TYR 84 64.993 -0.035 11.401 636 HE2 TYR 84 HE1 TYR 84 66.590 2.592 14.401 637 HH TYR 84 HH TYR 84 65.304 0.285 14.628 638 HB2 TYR 84 HB2 TYR 84 69.047 3.611 10.583 639 HB3 TYR 84 HB1 TYR 84 67.925 3.211 9.281 640 H GLY 85 HN GLY 85 71.840 2.295 10.198 641 HA2 GLY 85 HA2 GLY 85 73.672 3.091 8.954 642 HA3 GLY 85 HA1 GLY 85 72.812 2.596 7.494 643 H ILE 86 HN ILE 86 74.244 5.186 8.419 644 HA ILE 86 HA ILE 86 72.071 7.160 8.321 645 HB ILE 86 HB ILE 86 74.881 8.050 7.920 646 HG12 ILE 86 HG12 ILE 86 73.947 6.708 10.478 647 HG13 ILE 86 HG11 ILE 86 75.223 6.124 9.409 648 HG21 ILE 86 HG21 ILE 86 72.870 8.823 10.042 649 HG22 ILE 86 HG22 ILE 86 72.812 9.481 8.407 650 HG23 ILE 86 HG23 ILE 86 74.220 9.776 9.427 651 HD11 ILE 86 HD11 ILE 86 76.421 8.321 9.800 652 HD12 ILE 86 HD12 ILE 86 76.301 7.285 11.222 653 HD13 ILE 86 HD13 ILE 86 75.224 8.671 11.047 654 H1U RCY 87 H1U RCY 87 77.075 2.039 0.073 655 H1S RCY 87 H1S RCY 87 74.174 1.904 3.758 656 HB1 RCY 87 HB1 RCY 87 72.991 5.097 2.450 657 HB2 RCY 87 HB2 RCY 87 71.421 5.130 3.243 658 HA RCY 87 HA RCY 87 73.874 6.724 3.835 659 HN1 RCY 87 HN1 RCY 87 72.683 5.299 5.966 Start of MODEL 59 1 HA MET 1 HA MET 1 59.258 -17.694 3.697 2 HB2 MET 1 HB2 MET 1 56.851 -19.351 4.515 3 HB3 MET 1 HB1 MET 1 57.319 -18.936 2.866 4 HG2 MET 1 HG2 MET 1 59.557 -20.082 3.379 5 HG3 MET 1 HG1 MET 1 58.766 -20.737 4.813 6 HE1 MET 1 HE1 MET 1 56.986 -22.240 4.960 7 HE2 MET 1 HE2 MET 1 56.119 -23.074 3.673 8 HE3 MET 1 HE3 MET 1 55.788 -21.372 3.990 9 H ASN 2 HN ASN 2 58.748 -15.805 5.757 10 HA ASN 2 HA ASN 2 57.483 -13.868 6.135 11 HB2 ASN 2 HB2 ASN 2 56.079 -14.438 3.524 12 HB3 ASN 2 HB1 ASN 2 56.456 -12.876 4.249 13 HD21 ASN 2 HD21 ASN 2 57.779 -15.536 2.352 14 HD22 ASN 2 HD22 ASN 2 59.264 -14.791 2.002 15 H LEU 3 HN LEU 3 55.943 -13.961 7.692 16 HA LEU 3 HA LEU 3 53.266 -14.941 7.042 17 HG LEU 3 HG LEU 3 52.853 -17.978 8.915 18 HB2 LEU 3 HB2 LEU 3 54.880 -16.908 7.874 19 HB3 LEU 3 HB1 LEU 3 54.469 -16.249 9.455 20 HD11 LEU 3 HD11 LEU 3 51.427 -15.391 8.306 21 HD12 LEU 3 HD12 LEU 3 52.127 -15.688 9.897 22 HD13 LEU 3 HD13 LEU 3 50.867 -16.754 9.274 23 HD21 LEU 3 HD21 LEU 3 51.793 -16.526 6.546 24 HD22 LEU 3 HD22 LEU 3 51.890 -18.260 6.850 25 HD23 LEU 3 HD23 LEU 3 53.321 -17.376 6.318 26 H GLU 4 HN GLU 4 55.496 -13.898 9.620 27 HA GLU 4 HA GLU 4 53.337 -12.801 11.235 28 HB2 GLU 4 HB2 GLU 4 55.384 -11.667 12.406 29 HB3 GLU 4 HB1 GLU 4 55.198 -13.417 12.525 30 HG2 GLU 4 HG2 GLU 4 56.756 -12.261 10.233 31 HG3 GLU 4 HG1 GLU 4 57.523 -12.400 11.816 32 HA PRO 5 HA PRO 5 52.556 -8.958 9.162 33 HB2 PRO 5 HB2 PRO 5 52.976 -7.802 11.900 34 HB3 PRO 5 HB1 PRO 5 51.665 -7.501 10.742 35 HG2 PRO 5 HG2 PRO 5 51.363 -9.122 12.856 36 HG3 PRO 5 HG1 PRO 5 50.537 -9.404 11.317 37 HD2 PRO 5 HD2 PRO 5 52.740 -10.937 12.549 38 HD3 PRO 5 HD1 PRO 5 51.608 -11.425 11.270 39 HA PRO 6 HA PRO 6 56.603 -7.194 8.560 40 HB2 PRO 6 HB2 PRO 6 55.964 -4.828 7.380 41 HB3 PRO 6 HB1 PRO 6 55.752 -6.388 6.559 42 HG2 PRO 6 HG2 PRO 6 53.722 -4.684 7.917 43 HG3 PRO 6 HG1 PRO 6 53.599 -5.600 6.406 44 HD2 PRO 6 HD2 PRO 6 52.576 -6.490 8.801 45 HD3 PRO 6 HD1 PRO 6 53.086 -7.574 7.488 46 H LYS 7 HN LYS 7 58.027 -5.474 9.332 47 HA LYS 7 HA LYS 7 57.015 -4.205 11.820 48 HB2 LYS 7 HB2 LYS 7 59.486 -3.651 12.121 49 HB3 LYS 7 HB1 LYS 7 59.084 -5.368 12.131 50 HG2 LYS 7 HG2 LYS 7 59.826 -5.645 9.867 51 HG3 LYS 7 HG1 LYS 7 59.959 -3.902 9.632 52 HD2 LYS 7 HD2 LYS 7 62.182 -4.481 10.037 53 HD3 LYS 7 HD1 LYS 7 61.634 -4.045 11.656 54 HE2 LYS 7 HE2 LYS 7 61.048 -6.511 11.974 55 HE3 LYS 7 HE1 LYS 7 61.953 -6.818 10.492 56 HZ1 LYS 7 HZ1 LYS 7 63.352 -5.142 12.358 57 HZ2 LYS 7 HZ2 LYS 7 63.884 -6.528 11.531 58 HZ3 LYS 7 HZ3 LYS 7 63.012 -6.683 12.981 59 H ALA 8 HN ALA 8 56.533 -3.283 8.921 60 HA ALA 8 HA ALA 8 57.981 -0.831 8.544 61 HB1 ALA 8 HB1 ALA 8 56.864 -1.739 6.640 62 HB2 ALA 8 HB2 ALA 8 55.984 -0.265 7.043 63 HB3 ALA 8 HB3 ALA 8 55.327 -1.837 7.499 64 H GLU 9 HN GLU 9 55.583 -1.703 10.788 65 HA GLU 9 HA GLU 9 54.082 0.686 11.064 66 HB2 GLU 9 HB2 GLU 9 54.960 -1.395 13.076 67 HB3 GLU 9 HB1 GLU 9 53.927 -0.036 13.521 68 HG2 GLU 9 HG2 GLU 9 52.608 -2.065 12.939 69 HG3 GLU 9 HG1 GLU 9 52.265 -0.714 11.857 70 H1U RCY 10 H1U RCY 10 64.463 1.683 10.839 71 H1S RCY 10 H1S RCY 10 61.822 2.727 13.771 72 HB1 RCY 10 HB1 RCY 10 60.034 1.089 12.441 73 HB2 RCY 10 HB2 RCY 10 59.158 -0.099 13.405 74 HA RCY 10 HA RCY 10 57.671 2.094 13.950 75 HN1 RCY 10 HN1 RCY 10 57.318 -0.155 12.212 76 H ARG 11 HN ARG 11 56.852 3.948 12.854 77 HA ARG 11 HA ARG 11 57.551 4.755 10.225 78 HE ARG 11 HE ARG 11 55.993 6.932 15.567 79 HB2 ARG 11 HB2 ARG 11 57.095 7.124 11.207 80 HB3 ARG 11 HB1 ARG 11 55.775 5.954 11.207 81 HG2 ARG 11 HG2 ARG 11 56.117 5.434 13.523 82 HG3 ARG 11 HG1 ARG 11 57.642 6.319 13.560 83 HD2 ARG 11 HD2 ARG 11 56.397 8.421 13.070 84 HD3 ARG 11 HD1 ARG 11 54.886 7.515 13.144 85 HH11 ARG 11 HH21 ARG 11 55.589 9.847 13.772 86 HH12 ARG 11 HH22 ARG 11 55.455 10.851 15.177 87 HH21 ARG 11 HH11 ARG 11 55.820 8.225 17.412 88 HH22 ARG 11 HH12 ARG 11 55.586 9.933 17.238 89 H SER 12 HN SER 12 59.418 5.584 9.395 90 HA SER 12 HA SER 12 61.742 5.864 11.171 91 HG SER 12 HG SER 12 63.798 5.279 9.392 92 HB2 SER 12 HB2 SER 12 61.824 4.809 8.862 93 HB3 SER 12 HB1 SER 12 61.589 6.425 8.199 94 H ALA 13 HN ALA 13 59.406 7.818 11.188 95 HA ALA 13 HA ALA 13 59.257 10.116 11.672 96 HB1 ALA 13 HB1 ALA 13 61.814 9.638 12.291 97 HB2 ALA 13 HB2 ALA 13 61.180 11.281 12.214 98 HB3 ALA 13 HB3 ALA 13 62.089 10.622 10.853 99 H THR 14 HN THR 14 58.416 9.198 9.219 100 HA THR 14 HA THR 14 58.600 11.594 7.603 101 HB THR 14 HB THR 14 59.712 9.121 6.274 102 HG1 THR 14 HG1 THR 14 61.718 9.753 6.827 103 HG21 THR 14 HG21 THR 14 58.791 11.154 5.008 104 HG22 THR 14 HG22 THR 14 60.428 10.644 4.596 105 HG23 THR 14 HG23 THR 14 60.177 12.038 5.646 106 H ARG 15 HN ARG 15 58.214 9.367 5.302 107 HA ARG 15 HA ARG 15 55.699 8.129 5.956 108 HE ARG 15 HE ARG 15 54.101 13.167 5.511 109 HB2 ARG 15 HB2 ARG 15 54.361 9.574 4.295 110 HB3 ARG 15 HB1 ARG 15 54.684 10.274 5.882 111 HG2 ARG 15 HG2 ARG 15 56.499 11.595 5.019 112 HG3 ARG 15 HG1 ARG 15 56.452 10.751 3.470 113 HD2 ARG 15 HD2 ARG 15 55.339 13.017 3.445 114 HD3 ARG 15 HD1 ARG 15 54.290 11.690 2.945 115 HH11 ARG 15 HH21 ARG 15 53.077 10.672 3.365 116 HH12 ARG 15 HH22 ARG 15 51.563 10.419 4.168 117 HH21 ARG 15 HH11 ARG 15 52.131 12.852 6.573 118 HH22 ARG 15 HH12 ARG 15 51.028 11.653 5.984 119 H VAL 16 HN VAL 16 57.481 6.680 4.917 120 HA VAL 16 HA VAL 16 58.121 5.361 3.088 121 HB VAL 16 HB VAL 16 55.789 6.576 1.600 122 HG11 VAL 16 HG11 VAL 16 57.221 5.031 0.351 123 HG12 VAL 16 HG12 VAL 16 55.666 4.265 0.680 124 HG13 VAL 16 HG13 VAL 16 57.083 3.832 1.637 125 HG21 VAL 16 HG21 VAL 16 55.793 4.544 3.844 126 HG22 VAL 16 HG22 VAL 16 54.472 4.667 2.682 127 HG23 VAL 16 HG23 VAL 16 54.852 6.031 3.734 128 H MET 17 HN MET 17 59.366 5.564 1.168 129 HA MET 17 HA MET 17 60.534 8.135 0.696 130 HB2 MET 17 HB2 MET 17 60.584 5.564 -0.905 131 HB3 MET 17 HB1 MET 17 61.513 6.992 -1.357 132 HG2 MET 17 HG2 MET 17 63.024 5.704 -0.065 133 HG3 MET 17 HG1 MET 17 62.431 6.931 1.055 134 HE1 MET 17 HE1 MET 17 63.390 3.410 0.886 135 HE2 MET 17 HE2 MET 17 62.118 3.419 -0.332 136 HE3 MET 17 HE3 MET 17 61.928 2.444 1.123 137 H GLY 18 HN GLY 18 58.898 9.630 0.160 138 HA2 GLY 18 HA2 GLY 18 57.611 9.189 -2.509 139 HA3 GLY 18 HA1 GLY 18 56.778 10.009 -1.187 140 H GLY 19 HN GLY 19 57.561 11.014 -3.898 141 HA2 GLY 19 HA2 GLY 19 57.975 13.649 -3.595 142 HA3 GLY 19 HA1 GLY 19 59.606 13.056 -3.273 143 HA PRO 20 HA PRO 20 57.928 12.634 -8.006 144 HB2 PRO 20 HB2 PRO 20 58.454 15.587 -8.082 145 HB3 PRO 20 HB1 PRO 20 57.298 14.625 -9.024 146 HG2 PRO 20 HG2 PRO 20 56.517 16.100 -6.947 147 HG3 PRO 20 HG1 PRO 20 55.772 14.534 -7.305 148 HD2 PRO 20 HD2 PRO 20 57.627 15.265 -5.098 149 HD3 PRO 20 HD1 PRO 20 56.414 13.968 -5.170 150 H1U RCY 21 H1U RCY 21 66.793 12.855 -1.879 151 H1S RCY 21 H1S RCY 21 64.413 12.359 -3.450 152 HB1 RCY 21 HB1 RCY 21 62.487 14.807 -5.534 153 HB2 RCY 21 HB2 RCY 21 63.985 14.552 -6.426 154 HA RCY 21 HA RCY 21 62.428 14.458 -8.154 155 HN1 RCY 21 HN1 RCY 21 60.495 13.893 -6.127 156 H THR 22 HN THR 22 63.794 13.110 -9.307 157 HA THR 22 HA THR 22 63.562 10.174 -8.777 158 HB THR 22 HB THR 22 62.274 10.783 -10.788 159 HG1 THR 22 HG1 THR 22 63.012 9.003 -11.575 160 HG21 THR 22 HG21 THR 22 63.714 12.842 -11.237 161 HG22 THR 22 HG22 THR 22 63.269 11.891 -12.654 162 HG23 THR 22 HG23 THR 22 64.887 11.745 -11.966 163 HA PRO 23 HA PRO 23 67.977 10.159 -8.224 164 HB2 PRO 23 HB2 PRO 23 67.807 7.784 -10.051 165 HB3 PRO 23 HB1 PRO 23 68.665 7.957 -8.507 166 HG2 PRO 23 HG2 PRO 23 66.321 6.672 -8.703 167 HG3 PRO 23 HG1 PRO 23 66.780 7.594 -7.263 168 HD2 PRO 23 HD2 PRO 23 64.727 8.221 -9.294 169 HD3 PRO 23 HD1 PRO 23 64.898 8.841 -7.639 170 H ARG 24 HN ARG 24 69.546 11.274 -9.340 171 HA ARG 24 HA ARG 24 69.141 12.351 -11.916 172 HE ARG 24 HE ARG 24 70.480 9.939 -7.807 173 HB2 ARG 24 HB2 ARG 24 71.949 12.103 -11.620 174 HB3 ARG 24 HB1 ARG 24 70.961 13.507 -11.230 175 HG2 ARG 24 HG2 ARG 24 72.205 12.888 -9.242 176 HG3 ARG 24 HG1 ARG 24 70.509 12.481 -8.976 177 HD2 ARG 24 HD2 ARG 24 71.295 10.155 -10.035 178 HD3 ARG 24 HD1 ARG 24 72.851 10.675 -9.388 179 HH11 ARG 24 HH21 ARG 24 73.565 11.466 -8.001 180 HH12 ARG 24 HH22 ARG 24 73.868 11.370 -6.298 181 HH21 ARG 24 HH11 ARG 24 70.857 9.805 -5.582 182 HH22 ARG 24 HH12 ARG 24 72.335 10.430 -4.929 183 H LYS 25 HN LYS 25 68.441 10.673 -13.328 184 HA LYS 25 HA LYS 25 68.721 8.925 -14.870 185 HB2 LYS 25 HB2 LYS 25 71.690 9.457 -14.656 186 HB3 LYS 25 HB1 LYS 25 70.779 8.899 -16.058 187 HG2 LYS 25 HG2 LYS 25 70.259 11.594 -14.796 188 HG3 LYS 25 HG1 LYS 25 71.481 11.375 -16.049 189 HD2 LYS 25 HD2 LYS 25 69.791 10.491 -17.585 190 HD3 LYS 25 HD1 LYS 25 68.557 10.616 -16.330 191 HE2 LYS 25 HE2 LYS 25 68.908 13.064 -16.238 192 HE3 LYS 25 HE1 LYS 25 70.117 12.932 -17.515 193 HZ1 LYS 25 HZ1 LYS 25 67.217 12.359 -17.688 194 HZ2 LYS 25 HZ2 LYS 25 68.322 11.850 -18.875 195 HZ3 LYS 25 HZ3 LYS 25 68.109 13.507 -18.564 196 H GLY 26 HN GLY 26 68.088 7.314 -13.323 197 HA2 GLY 26 HA2 GLY 26 70.346 5.847 -12.034 198 HA3 GLY 26 HA1 GLY 26 68.681 5.801 -11.470 199 HA PRO 27 HA PRO 27 67.234 2.892 -14.702 200 HB2 PRO 27 HB2 PRO 27 68.453 4.234 -17.098 201 HB3 PRO 27 HB1 PRO 27 66.880 3.423 -16.943 202 HG2 PRO 27 HG2 PRO 27 67.074 6.074 -16.886 203 HG3 PRO 27 HG1 PRO 27 65.925 5.219 -15.845 204 HD2 PRO 27 HD2 PRO 27 68.461 6.592 -15.105 205 HD3 PRO 27 HD1 PRO 27 67.015 6.284 -14.118 206 HA PRO 28 HA PRO 28 70.644 0.051 -14.626 207 HB2 PRO 28 HB2 PRO 28 69.484 -0.894 -17.228 208 HB3 PRO 28 HB1 PRO 28 70.003 -1.839 -15.818 209 HG2 PRO 28 HG2 PRO 28 67.421 -1.302 -16.313 210 HG3 PRO 28 HG1 PRO 28 68.066 -1.443 -14.670 211 HD2 PRO 28 HD2 PRO 28 67.117 0.964 -16.089 212 HD3 PRO 28 HD1 PRO 28 67.355 0.706 -14.348 213 H LYS 29 HN LYS 29 72.716 0.400 -15.240 214 HA LYS 29 HA LYS 29 73.985 0.374 -17.618 215 HB2 LYS 29 HB2 LYS 29 72.715 1.964 -18.789 216 HB3 LYS 29 HB1 LYS 29 72.526 3.001 -17.374 217 HG2 LYS 29 HG2 LYS 29 74.715 3.845 -17.545 218 HG3 LYS 29 HG1 LYS 29 75.253 2.501 -18.553 219 HD2 LYS 29 HD2 LYS 29 73.716 3.313 -20.360 220 HD3 LYS 29 HD1 LYS 29 73.356 4.722 -19.362 221 HE2 LYS 29 HE2 LYS 29 75.690 5.405 -19.395 222 HE3 LYS 29 HE1 LYS 29 76.144 3.933 -20.253 223 HZ1 LYS 29 HZ1 LYS 29 75.449 4.759 -22.192 224 HZ2 LYS 29 HZ2 LYS 29 75.519 6.275 -21.427 225 HZ3 LYS 29 HZ3 LYS 29 74.044 5.437 -21.527 226 H1U RCY 30 H1U RCY 30 76.070 5.036 -12.712 227 H1S RCY 30 H1S RCY 30 77.102 0.899 -12.972 228 HB1 RCY 30 HB1 RCY 30 78.602 0.146 -16.055 229 HB2 RCY 30 HB2 RCY 30 77.529 -0.721 -14.958 230 HA RCY 30 HA RCY 30 76.675 1.599 -14.237 231 HN1 RCY 30 HN1 RCY 30 75.936 0.108 -16.605 232 H LYS 31 HN LYS 31 77.539 3.617 -14.168 233 HA LYS 31 HA LYS 31 78.230 4.956 -16.696 234 HB2 LYS 31 HB2 LYS 31 78.847 6.604 -14.427 235 HB3 LYS 31 HB1 LYS 31 77.525 6.786 -15.577 236 HG2 LYS 31 HG2 LYS 31 77.434 4.904 -13.202 237 HG3 LYS 31 HG1 LYS 31 76.772 6.539 -13.182 238 HD2 LYS 31 HD2 LYS 31 75.934 4.883 -15.484 239 HD3 LYS 31 HD1 LYS 31 75.342 4.334 -13.916 240 HE2 LYS 31 HE2 LYS 31 73.782 5.950 -14.976 241 HE3 LYS 31 HE1 LYS 31 74.428 6.562 -13.453 242 HZ1 LYS 31 HZ1 LYS 31 74.431 8.094 -15.491 243 HZ2 LYS 31 HZ2 LYS 31 75.763 7.177 -16.009 244 HZ3 LYS 31 HZ3 LYS 31 75.832 8.023 -14.538 245 H GLN 32 HN GLN 32 80.279 6.649 -15.984 246 HA GLN 32 HA GLN 32 82.489 5.310 -14.698 247 HB2 GLN 32 HB2 GLN 32 83.838 5.051 -16.849 248 HB3 GLN 32 HB1 GLN 32 82.547 3.872 -16.616 249 HG2 GLN 32 HG2 GLN 32 81.058 5.188 -18.059 250 HG3 GLN 32 HG1 GLN 32 82.318 6.405 -18.269 251 HE21 GLN 32 HE21 GLN 32 81.047 3.522 -19.589 252 HE22 GLN 32 HE22 GLN 32 82.345 3.139 -20.613 253 H ARG 33 HN ARG 33 81.579 7.817 -14.277 254 HA ARG 33 HA ARG 33 83.075 9.723 -15.960 255 HE ARG 33 HE ARG 33 79.725 13.206 -15.318 256 HB2 ARG 33 HB2 ARG 33 81.438 10.220 -13.454 257 HB3 ARG 33 HB1 ARG 33 82.003 11.440 -14.597 258 HG2 ARG 33 HG2 ARG 33 80.663 10.396 -16.383 259 HG3 ARG 33 HG1 ARG 33 80.097 9.172 -15.246 260 HD2 ARG 33 HD2 ARG 33 78.357 10.652 -15.013 261 HD3 ARG 33 HD1 ARG 33 79.458 11.380 -13.844 262 HH11 ARG 33 HH21 ARG 33 78.357 10.453 -16.878 263 HH12 ARG 33 HH22 ARG 33 78.022 11.291 -18.356 264 HH21 ARG 33 HH11 ARG 33 79.295 14.316 -17.240 265 HH22 ARG 33 HH12 ARG 33 78.553 13.478 -18.561 266 H GLN 34 HN GLN 34 82.947 10.607 -12.666 267 HA GLN 34 HA GLN 34 85.879 10.579 -12.518 268 HB2 GLN 34 HB2 GLN 34 85.274 11.537 -10.138 269 HB3 GLN 34 HB1 GLN 34 85.015 12.532 -11.569 270 HG2 GLN 34 HG2 GLN 34 83.052 12.492 -9.994 271 HG3 GLN 34 HG1 GLN 34 82.665 11.948 -11.627 272 HE21 GLN 34 HE21 GLN 34 82.305 9.627 -11.958 273 HE22 GLN 34 HE22 GLN 34 82.007 8.591 -10.647 274 H THR 35 HN THR 35 86.221 10.112 -9.743 275 HA THR 35 HA THR 35 86.762 8.281 -8.374 276 HB THR 35 HB THR 35 84.743 6.724 -8.012 277 HG1 THR 35 HG1 THR 35 83.089 8.559 -9.143 278 HG21 THR 35 HG21 THR 35 85.078 8.480 -6.450 279 HG22 THR 35 HG22 THR 35 83.405 8.657 -6.976 280 HG23 THR 35 HG23 THR 35 84.652 9.718 -7.631 281 H ARG 36 HN ARG 36 88.378 7.245 -9.577 282 HA ARG 36 HA ARG 36 87.461 4.982 -11.319 283 HE ARG 36 HE ARG 36 90.946 8.002 -12.623 284 HB2 ARG 36 HB2 ARG 36 90.120 6.432 -11.474 285 HB3 ARG 36 HB1 ARG 36 89.487 5.241 -12.609 286 HG2 ARG 36 HG2 ARG 36 88.839 7.116 -13.760 287 HG3 ARG 36 HG1 ARG 36 87.459 7.031 -12.664 288 HD2 ARG 36 HD2 ARG 36 88.441 9.305 -12.705 289 HD3 ARG 36 HD1 ARG 36 88.580 8.570 -11.108 290 HH11 ARG 36 HH21 ARG 36 89.219 10.532 -11.039 291 HH12 ARG 36 HH22 ARG 36 90.640 11.449 -10.666 292 HH21 ARG 36 HH11 ARG 36 92.811 9.186 -12.145 293 HH22 ARG 36 HH12 ARG 36 92.674 10.687 -11.292 294 H GLN 37 HN GLN 37 89.049 5.877 -8.453 295 HA GLN 37 HA GLN 37 90.806 3.519 -8.350 296 HB2 GLN 37 HB2 GLN 37 90.110 5.512 -6.172 297 HB3 GLN 37 HB1 GLN 37 91.443 4.356 -6.148 298 HG2 GLN 37 HG2 GLN 37 92.558 5.468 -7.956 299 HG3 GLN 37 HG1 GLN 37 91.146 6.471 -8.292 300 HE21 GLN 37 HE21 GLN 37 93.985 6.151 -6.271 301 HE22 GLN 37 HE22 GLN 37 93.758 7.581 -5.386 302 H1U RCY 38 H1U RCY 38 84.408 0.177 -3.065 303 H1S RCY 38 H1S RCY 38 85.042 3.185 -6.809 304 HB1 RCY 38 HB1 RCY 38 86.144 -0.130 -7.640 305 HB2 RCY 38 HB2 RCY 38 87.277 0.265 -8.931 306 HA RCY 38 HA RCY 38 87.186 1.718 -6.272 307 HN1 RCY 38 HN1 RCY 38 88.958 1.980 -8.636 308 H LYS 39 HN LYS 39 88.991 -0.674 -8.229 309 HA LYS 39 HA LYS 39 89.351 -2.355 -5.861 310 HB2 LYS 39 HB2 LYS 39 90.000 -2.589 -8.787 311 HB3 LYS 39 HB1 LYS 39 90.788 -3.672 -7.639 312 HG2 LYS 39 HG2 LYS 39 88.674 -4.626 -8.569 313 HG3 LYS 39 HG1 LYS 39 88.625 -4.442 -6.816 314 HD2 LYS 39 HD2 LYS 39 87.307 -2.440 -6.979 315 HD3 LYS 39 HD1 LYS 39 87.542 -2.357 -8.725 316 HE2 LYS 39 HE2 LYS 39 86.207 -4.317 -9.086 317 HE3 LYS 39 HE1 LYS 39 86.171 -4.685 -7.361 318 HZ1 LYS 39 HZ1 LYS 39 84.931 -2.651 -6.984 319 HZ2 LYS 39 HZ2 LYS 39 84.115 -3.647 -8.093 320 HZ3 LYS 39 HZ3 LYS 39 84.973 -2.286 -8.640 321 H SER 40 HN SER 40 91.359 -2.847 -4.913 322 HA SER 40 HA SER 40 93.917 -2.023 -5.713 323 HG SER 40 HG SER 40 94.454 0.985 -3.763 324 HB2 SER 40 HB2 SER 40 93.522 0.266 -5.627 325 HB3 SER 40 HB1 SER 40 92.308 0.112 -4.360 326 H LYS 41 HN LYS 41 92.354 -1.299 -2.590 327 HA LYS 41 HA LYS 41 93.873 -3.590 -1.395 328 HB2 LYS 41 HB2 LYS 41 94.087 -2.198 0.659 329 HB3 LYS 41 HB1 LYS 41 94.915 -1.484 -0.725 330 HG2 LYS 41 HG2 LYS 41 92.407 -0.409 -0.986 331 HG3 LYS 41 HG1 LYS 41 92.565 -0.503 0.768 332 HD2 LYS 41 HD2 LYS 41 94.713 0.699 0.647 333 HD3 LYS 41 HD1 LYS 41 94.569 0.786 -1.109 334 HE2 LYS 41 HE2 LYS 41 92.665 2.022 0.903 335 HE3 LYS 41 HE1 LYS 41 93.814 2.892 -0.113 336 HZ1 LYS 41 HZ1 LYS 41 91.359 1.463 -0.903 337 HZ2 LYS 41 HZ2 LYS 41 92.605 1.721 -2.029 338 HZ3 LYS 41 HZ3 LYS 41 91.842 3.044 -1.284 339 HA PRO 42 HA PRO 42 89.387 -4.026 -0.422 340 HB2 PRO 42 HB2 PRO 42 89.113 -6.618 -1.171 341 HB3 PRO 42 HB1 PRO 42 89.074 -5.285 -2.341 342 HG2 PRO 42 HG2 PRO 42 91.256 -7.197 -1.729 343 HG3 PRO 42 HG1 PRO 42 90.791 -6.467 -3.273 344 HD2 PRO 42 HD2 PRO 42 92.915 -5.615 -1.660 345 HD3 PRO 42 HD1 PRO 42 92.158 -4.659 -2.953 346 HA PRO 43 HA PRO 43 89.924 -5.945 3.534 347 HB2 PRO 43 HB2 PRO 43 87.440 -7.034 3.969 348 HB3 PRO 43 HB1 PRO 43 87.779 -5.296 4.076 349 HG2 PRO 43 HG2 PRO 43 86.542 -6.843 1.856 350 HG3 PRO 43 HG1 PRO 43 86.128 -5.239 2.484 351 HD2 PRO 43 HD2 PRO 43 87.580 -5.597 0.195 352 HD3 PRO 43 HD1 PRO 43 87.779 -4.179 1.249 353 H LYS 44 HN LYS 44 89.849 -8.082 4.686 354 HA LYS 44 HA LYS 44 91.072 -10.173 3.357 355 HB2 LYS 44 HB2 LYS 44 90.797 -10.158 5.789 356 HB3 LYS 44 HB1 LYS 44 89.059 -10.399 5.615 357 HG2 LYS 44 HG2 LYS 44 89.331 -12.596 4.773 358 HG3 LYS 44 HG1 LYS 44 91.042 -12.340 4.428 359 HD2 LYS 44 HD2 LYS 44 90.960 -13.661 6.423 360 HD3 LYS 44 HD1 LYS 44 91.371 -12.024 6.936 361 HE2 LYS 44 HE2 LYS 44 88.525 -12.219 6.846 362 HE3 LYS 44 HE1 LYS 44 89.133 -13.614 7.737 363 HZ1 LYS 44 HZ1 LYS 44 89.864 -10.784 8.261 364 HZ2 LYS 44 HZ2 LYS 44 90.422 -12.133 9.129 365 HZ3 LYS 44 HZ3 LYS 44 88.779 -11.705 9.183 366 H LYS 45 HN LYS 45 87.736 -10.829 4.367 367 HA LYS 45 HA LYS 45 86.775 -11.212 1.649 368 HB2 LYS 45 HB2 LYS 45 88.300 -13.242 2.180 369 HB3 LYS 45 HB1 LYS 45 87.016 -13.741 3.280 370 HG2 LYS 45 HG2 LYS 45 85.592 -13.117 1.014 371 HG3 LYS 45 HG1 LYS 45 87.079 -13.778 0.333 372 HD2 LYS 45 HD2 LYS 45 85.356 -15.132 2.429 373 HD3 LYS 45 HD1 LYS 45 85.409 -15.559 0.719 374 HE2 LYS 45 HE2 LYS 45 86.980 -17.058 1.459 375 HE3 LYS 45 HE1 LYS 45 88.046 -15.665 1.273 376 HZ1 LYS 45 HZ1 LYS 45 87.473 -17.069 3.602 377 HZ2 LYS 45 HZ2 LYS 45 86.764 -15.535 3.774 378 HZ3 LYS 45 HZ3 LYS 45 88.424 -15.673 3.439 379 H GLY 46 HN GLY 46 86.338 -10.816 4.943 380 HA2 GLY 46 HA2 GLY 46 84.400 -10.568 6.245 381 HA3 GLY 46 HA1 GLY 46 83.506 -10.479 4.726 382 H VAL 47 HN VAL 47 81.875 -11.957 4.874 383 HA VAL 47 HA VAL 47 82.608 -14.788 5.290 384 HB VAL 47 HB VAL 47 80.817 -15.118 6.978 385 HG11 VAL 47 HG11 VAL 47 83.246 -14.596 7.575 386 HG12 VAL 47 HG12 VAL 47 82.060 -14.282 8.842 387 HG13 VAL 47 HG13 VAL 47 82.713 -12.946 7.895 388 HG21 VAL 47 HG21 VAL 47 79.327 -13.307 6.531 389 HG22 VAL 47 HG22 VAL 47 80.613 -12.112 6.697 390 HG23 VAL 47 HG23 VAL 47 80.013 -12.966 8.119 391 H GLN 48 HN GLN 48 80.211 -12.342 4.440 392 HA GLN 48 HA GLN 48 78.362 -14.285 3.280 393 HB2 GLN 48 HB2 GLN 48 78.531 -11.290 3.423 394 HB3 GLN 48 HB1 GLN 48 77.459 -12.025 2.230 395 HG2 GLN 48 HG2 GLN 48 77.410 -12.846 5.138 396 HG3 GLN 48 HG1 GLN 48 76.435 -11.508 4.530 397 HE21 GLN 48 HE21 GLN 48 76.770 -13.671 1.994 398 HE22 GLN 48 HE22 GLN 48 75.344 -14.565 2.214 399 H GLY 49 HN GLY 49 79.172 -11.513 1.344 400 HA2 GLY 49 HA2 GLY 49 81.076 -12.760 -0.405 401 HA3 GLY 49 HA1 GLY 49 79.450 -12.963 -1.059 402 H1U RCY 50 H1U RCY 50 79.733 -2.302 -3.909 403 H1S RCY 50 H1S RCY 50 82.081 -6.345 -3.081 404 HB1 RCY 50 HB1 RCY 50 79.651 -8.490 0.050 405 HB2 RCY 50 HB2 RCY 50 79.113 -7.117 -0.912 406 HA RCY 50 HA RCY 50 77.910 -8.709 -2.026 407 HN1 RCY 50 HN1 RCY 50 78.155 -10.924 -1.298 408 H GLY 51 HN GLY 51 81.144 -10.090 -2.626 409 HA2 GLY 51 HA2 GLY 51 80.787 -9.843 -5.493 410 HA3 GLY 51 HA1 GLY 51 81.926 -8.648 -4.870 411 H ASP 52 HN ASP 52 82.337 -10.981 -2.722 412 HA ASP 52 HA ASP 52 84.847 -11.865 -3.741 413 HB2 ASP 52 HB2 ASP 52 83.181 -13.403 -1.739 414 HB3 ASP 52 HB1 ASP 52 84.940 -13.304 -1.845 415 H ASP 53 HN ASP 53 81.839 -12.605 -4.887 416 HA ASP 53 HA ASP 53 82.874 -14.999 -6.279 417 HB2 ASP 53 HB2 ASP 53 80.380 -15.007 -4.556 418 HB3 ASP 53 HB1 ASP 53 80.739 -16.247 -5.758 419 H ILE 54 HN ILE 54 79.935 -13.016 -5.772 420 HA ILE 54 HA ILE 54 79.797 -12.619 -8.717 421 HB ILE 54 HB ILE 54 77.570 -13.649 -6.940 422 HG12 ILE 54 HG12 ILE 54 79.114 -15.313 -7.967 423 HG13 ILE 54 HG11 ILE 54 77.476 -15.446 -8.608 424 HG21 ILE 54 HG21 ILE 54 76.518 -11.956 -8.232 425 HG22 ILE 54 HG22 ILE 54 76.222 -13.448 -9.125 426 HG23 ILE 54 HG23 ILE 54 77.482 -12.335 -9.659 427 HD11 ILE 54 HD11 ILE 54 78.540 -13.628 -10.335 428 HD12 ILE 54 HD12 ILE 54 78.530 -15.367 -10.629 429 HD13 ILE 54 HD13 ILE 54 79.967 -14.594 -9.961 430 HA PRO 55 HA PRO 55 79.108 -8.593 -6.735 431 HB2 PRO 55 HB2 PRO 55 79.758 -7.047 -8.867 432 HB3 PRO 55 HB1 PRO 55 80.987 -7.860 -7.877 433 HG2 PRO 55 HG2 PRO 55 79.908 -8.618 -10.541 434 HG3 PRO 55 HG1 PRO 55 81.559 -8.742 -9.912 435 HD2 PRO 55 HD2 PRO 55 79.773 -10.866 -10.058 436 HD3 PRO 55 HD1 PRO 55 81.174 -10.801 -8.967 437 H GLY 56 HN GLY 56 76.789 -8.847 -6.588 438 HA2 GLY 56 HA2 GLY 56 75.008 -7.159 -7.523 439 HA3 GLY 56 HA1 GLY 56 75.224 -8.089 -9.007 440 H MET 57 HN MET 57 75.642 -10.007 -6.251 441 HA MET 57 HA MET 57 73.333 -11.618 -6.843 442 HB2 MET 57 HB2 MET 57 75.572 -12.235 -5.624 443 HB3 MET 57 HB1 MET 57 74.730 -11.687 -4.176 444 HG2 MET 57 HG2 MET 57 72.799 -13.236 -5.001 445 HG3 MET 57 HG1 MET 57 74.047 -13.988 -5.996 446 HE1 MET 57 HE1 MET 57 76.437 -14.296 -4.984 447 HE2 MET 57 HE2 MET 57 76.771 -14.820 -3.335 448 HE3 MET 57 HE3 MET 57 76.491 -13.113 -3.671 449 H GLU 58 HN GLU 58 73.320 -8.616 -5.654 450 HA GLU 58 HA GLU 58 71.078 -9.144 -3.734 451 HB2 GLU 58 HB2 GLU 58 72.896 -6.722 -3.929 452 HB3 GLU 58 HB1 GLU 58 71.607 -6.953 -2.747 453 HG2 GLU 58 HG2 GLU 58 72.752 -8.713 -1.664 454 HG3 GLU 58 HG1 GLU 58 73.834 -8.968 -3.034 455 H GLY 59 HN GLY 59 72.211 -6.961 -6.321 456 HA2 GLY 59 HA2 GLY 59 70.932 -5.907 -8.004 457 HA3 GLY 59 HA1 GLY 59 69.514 -6.770 -7.404 458 H1U RCY 60 H1U RCY 60 71.130 3.011 -5.187 459 H1S RCY 60 H1S RCY 60 70.911 -0.628 -7.729 460 HB1 RCY 60 HB1 RCY 60 67.843 -1.431 -6.088 461 HB2 RCY 60 HB2 RCY 60 67.057 -2.529 -7.222 462 HA RCY 60 HA RCY 60 68.772 -3.217 -4.833 463 HN1 RCY 60 HN1 RCY 60 67.984 -5.380 -6.678 464 H GLY 61 HN GLY 61 67.436 -3.577 -3.159 465 HA2 GLY 61 HA2 GLY 61 64.778 -3.193 -2.901 466 HA3 GLY 61 HA1 GLY 61 64.797 -4.822 -3.584 467 H THR 62 HN THR 62 67.265 -5.627 -2.309 468 HA THR 62 HA THR 62 66.181 -6.227 0.373 469 HB THR 62 HB THR 62 68.261 -7.694 0.494 470 HG1 THR 62 HG1 THR 62 68.870 -6.236 -1.615 471 HG21 THR 62 HG21 THR 62 67.381 -9.261 -1.341 472 HG22 THR 62 HG22 THR 62 66.195 -8.002 -1.687 473 HG23 THR 62 HG23 THR 62 66.229 -8.770 -0.100 474 H ASP 63 HN ASP 63 66.450 -3.932 1.083 475 HA ASP 63 HA ASP 63 69.046 -2.709 1.245 476 HB2 ASP 63 HB2 ASP 63 66.651 -2.232 3.042 477 HB3 ASP 63 HB1 ASP 63 67.999 -1.127 2.765 478 H ILE 64 HN ILE 64 68.438 -5.554 2.438 479 HA ILE 64 HA ILE 64 69.824 -5.053 5.049 480 HB ILE 64 HB ILE 64 67.760 -7.135 4.290 481 HG12 ILE 64 HG12 ILE 64 67.865 -5.243 6.653 482 HG13 ILE 64 HG11 ILE 64 67.083 -4.822 5.128 483 HG21 ILE 64 HG21 ILE 64 68.194 -7.907 6.717 484 HG22 ILE 64 HG22 ILE 64 69.729 -7.049 6.578 485 HG23 ILE 64 HG23 ILE 64 69.367 -8.393 5.494 486 HD11 ILE 64 HD11 ILE 64 65.493 -6.590 5.343 487 HD12 ILE 64 HD12 ILE 64 65.561 -5.816 6.927 488 HD13 ILE 64 HD13 ILE 64 66.402 -7.342 6.655 489 H THR 65 HN THR 65 69.809 -6.699 2.015 490 HA THR 65 HA THR 65 71.103 -8.528 1.235 491 HB THR 65 HB THR 65 72.431 -6.226 1.199 492 HG1 THR 65 HG1 THR 65 74.233 -8.222 0.833 493 HG21 THR 65 HG21 THR 65 73.207 -6.961 3.648 494 HG22 THR 65 HG22 THR 65 74.276 -6.061 2.572 495 HG23 THR 65 HG23 THR 65 74.449 -7.809 2.726 496 H VAL 66 HN VAL 66 70.096 -9.021 3.876 497 HA VAL 66 HA VAL 66 70.374 -10.645 5.535 498 HB VAL 66 HB VAL 66 73.033 -11.396 4.325 499 HG11 VAL 66 HG11 VAL 66 72.367 -13.627 5.077 500 HG12 VAL 66 HG12 VAL 66 70.786 -13.015 5.562 501 HG13 VAL 66 HG13 VAL 66 72.235 -12.488 6.418 502 HG21 VAL 66 HG21 VAL 66 71.753 -11.357 2.358 503 HG22 VAL 66 HG22 VAL 66 70.267 -11.790 3.204 504 HG23 VAL 66 HG23 VAL 66 71.512 -13.009 2.928 505 H ILE 67 HN ILE 67 73.338 -8.853 4.694 506 HA ILE 67 HA ILE 67 73.682 -8.291 7.605 507 HB ILE 67 HB ILE 67 75.968 -8.997 5.745 508 HG12 ILE 67 HG12 ILE 67 74.437 -10.641 7.774 509 HG13 ILE 67 HG11 ILE 67 74.730 -11.020 6.077 510 HG21 ILE 67 HG21 ILE 67 76.311 -7.451 7.772 511 HG22 ILE 67 HG22 ILE 67 77.335 -8.885 7.688 512 HG23 ILE 67 HG23 ILE 67 75.938 -8.861 8.764 513 HD11 ILE 67 HD11 ILE 67 77.240 -10.956 6.701 514 HD12 ILE 67 HD12 ILE 67 76.303 -12.353 7.231 515 HD13 ILE 67 HD13 ILE 67 76.687 -11.064 8.372 516 H1U RCY 68 H1U RCY 68 72.851 1.071 4.651 517 H1S RCY 68 H1S RCY 68 73.287 -2.726 3.083 518 HB1 RCY 68 HB1 RCY 68 72.730 -2.801 5.844 519 HB2 RCY 68 HB2 RCY 68 71.826 -4.165 6.492 520 HA RCY 68 HA RCY 68 74.707 -4.427 5.610 521 HN1 RCY 68 HN1 RCY 68 73.041 -6.141 7.417 522 HA PRO 69 HA PRO 69 76.607 -2.084 8.813 523 HB2 PRO 69 HB2 PRO 69 74.667 0.110 8.187 524 HB3 PRO 69 HB1 PRO 69 76.430 0.183 8.363 525 HG2 PRO 69 HG2 PRO 69 75.076 0.078 5.964 526 HG3 PRO 69 HG1 PRO 69 76.780 -0.327 6.200 527 HD2 PRO 69 HD2 PRO 69 74.657 -2.104 5.443 528 HD3 PRO 69 HD1 PRO 69 76.356 -2.519 5.758 529 H TRP 70 HN TRP 70 73.064 -2.070 8.689 530 HA TRP 70 HA TRP 70 72.724 -1.304 11.463 531 HD1 TRP 70 HD1 TRP 70 72.696 0.321 9.675 532 HE1 TRP 70 HE1 TRP 70 71.988 1.603 7.555 533 HE3 TRP 70 HE3 TRP 70 68.662 -2.472 8.262 534 HZ2 TRP 70 HZ2 TRP 70 69.973 1.463 5.524 535 HZ3 TRP 70 HZ3 TRP 70 67.369 -1.878 6.236 536 HH2 TRP 70 HH2 TRP 70 68.016 0.083 4.866 537 HB2 TRP 70 HB2 TRP 70 70.683 -2.889 9.917 538 HB3 TRP 70 HB1 TRP 70 70.428 -1.600 11.094 539 H GLU 71 HN GLU 71 74.382 -3.809 10.540 540 HA GLU 71 HA GLU 71 73.397 -5.521 12.759 541 HB2 GLU 71 HB2 GLU 71 73.740 -6.393 9.885 542 HB3 GLU 71 HB1 GLU 71 73.808 -7.543 11.220 543 HG2 GLU 71 HG2 GLU 71 71.497 -5.633 10.783 544 HG3 GLU 71 HG1 GLU 71 71.517 -7.290 10.177 545 H ALA 72 HN ALA 72 75.794 -6.055 10.164 546 HA ALA 72 HA ALA 72 77.797 -6.841 12.128 547 HB1 ALA 72 HB1 ALA 72 79.288 -7.005 10.110 548 HB2 ALA 72 HB2 ALA 72 77.953 -6.391 9.135 549 HB3 ALA 72 HB3 ALA 72 77.798 -7.937 9.969 550 H1U RCY 73 H1U RCY 73 78.173 -1.073 3.156 551 H1S RCY 73 H1S RCY 73 80.243 -0.189 7.098 552 HB1 RCY 73 HB1 RCY 73 78.676 -1.248 9.252 553 HB2 RCY 73 HB2 RCY 73 78.823 -2.790 8.413 554 HA RCY 73 HA RCY 73 80.363 -3.048 10.769 555 HN1 RCY 73 HN1 RCY 73 78.357 -4.516 9.492 556 H ASN 74 HN ASN 74 77.084 -3.250 11.629 557 HA ASN 74 HA ASN 74 75.806 -2.129 13.238 558 HB2 ASN 74 HB2 ASN 74 78.007 -2.656 14.500 559 HB3 ASN 74 HB1 ASN 74 78.390 -0.950 14.262 560 HD21 ASN 74 HD21 ASN 74 77.670 0.378 15.926 561 HD22 ASN 74 HD22 ASN 74 76.354 0.044 16.945 562 H HIS 75 HN HIS 75 76.492 0.443 14.447 563 HA HIS 75 HA HIS 75 75.378 2.180 12.449 564 HD1 HIS 75 HD1 HIS 75 74.787 4.248 12.176 565 HD2 HIS 75 HD2 HIS 75 76.841 5.563 15.560 566 HE1 HIS 75 HE1 HIS 75 74.888 6.774 12.015 567 HE2 HIS 75 HE2 HIS 75 76.136 7.587 14.069 568 HB2 HIS 75 HB2 HIS 75 75.026 2.617 14.821 569 HB3 HIS 75 HB1 HIS 75 76.762 2.804 15.074 570 H1U RCY 76 H1U RCY 76 77.735 1.246 3.409 571 H1S RCY 76 H1S RCY 76 78.042 3.422 7.474 572 HB1 RCY 76 HB1 RCY 76 80.113 3.075 9.524 573 HB2 RCY 76 HB2 RCY 76 79.118 4.134 10.522 574 HA RCY 76 HA RCY 76 80.271 1.437 11.177 575 HN1 RCY 76 HN1 RCY 76 78.367 0.879 12.422 576 H GLU 77 HN GLU 77 82.112 2.926 11.355 577 HA GLU 77 HA GLU 77 82.748 3.640 13.983 578 HB2 GLU 77 HB2 GLU 77 83.978 3.879 11.428 579 HB3 GLU 77 HB1 GLU 77 84.076 5.470 12.178 580 HG2 GLU 77 HG2 GLU 77 84.880 2.901 13.573 581 HG3 GLU 77 HG1 GLU 77 86.016 3.958 12.734 582 H LEU 78 HN LEU 78 82.796 5.672 15.089 583 HA LEU 78 HA LEU 78 80.526 7.197 15.193 584 HG LEU 78 HG LEU 78 83.955 7.803 14.541 585 HB2 LEU 78 HB2 LEU 78 81.824 8.963 16.249 586 HB3 LEU 78 HB1 LEU 78 82.438 7.392 16.762 587 HD11 LEU 78 HD11 LEU 78 83.924 10.524 15.815 588 HD12 LEU 78 HD12 LEU 78 82.777 10.154 14.527 589 HD13 LEU 78 HD13 LEU 78 84.511 10.049 14.221 590 HD21 LEU 78 HD21 LEU 78 84.903 7.156 16.651 591 HD22 LEU 78 HD22 LEU 78 84.424 8.678 17.403 592 HD23 LEU 78 HD23 LEU 78 85.702 8.659 16.187 593 H HIS 79 HN HIS 79 83.173 7.670 12.881 594 HA HIS 79 HA HIS 79 82.691 10.158 11.815 595 HD1 HIS 79 HD1 HIS 79 85.254 10.454 9.558 596 HD2 HIS 79 HD2 HIS 79 85.260 7.499 12.502 597 HE1 HIS 79 HE1 HIS 79 87.556 10.501 10.613 598 HE2 HIS 79 HE2 HIS 79 87.573 8.707 12.407 599 HB2 HIS 79 HB2 HIS 79 83.186 7.551 10.361 600 HB3 HIS 79 HB1 HIS 79 83.142 9.104 9.527 601 H GLU 80 HN GLU 80 81.238 11.015 10.186 602 HA GLU 80 HA GLU 80 78.723 9.434 9.834 603 HB2 GLU 80 HB2 GLU 80 78.760 11.413 11.585 604 HB3 GLU 80 HB1 GLU 80 78.627 12.424 10.150 605 HG2 GLU 80 HG2 GLU 80 76.680 10.881 9.457 606 HG3 GLU 80 HG1 GLU 80 76.708 10.307 11.125 607 H LEU 81 HN LEU 81 78.141 12.387 8.559 608 HA LEU 81 HA LEU 81 78.420 11.465 5.837 609 HG LEU 81 HG LEU 81 78.703 14.391 7.852 610 HB2 LEU 81 HB2 LEU 81 77.856 13.931 5.327 611 HB3 LEU 81 HB1 LEU 81 76.649 12.998 6.211 612 HD11 LEU 81 HD11 LEU 81 76.529 15.817 6.299 613 HD12 LEU 81 HD12 LEU 81 78.258 16.168 6.296 614 HD13 LEU 81 HD13 LEU 81 77.293 16.500 7.735 615 HD21 LEU 81 HD21 LEU 81 76.996 14.416 9.440 616 HD22 LEU 81 HD22 LEU 81 76.577 12.971 8.519 617 HD23 LEU 81 HD23 LEU 81 75.725 14.486 8.219 618 H ALA 82 HN ALA 82 80.891 11.896 7.657 619 HA ALA 82 HA ALA 82 82.489 14.012 6.720 620 HB1 ALA 82 HB1 ALA 82 83.336 11.177 7.396 621 HB2 ALA 82 HB2 ALA 82 83.203 12.517 8.535 622 HB3 ALA 82 HB3 ALA 82 84.428 12.556 7.266 623 H GLN 83 HN GLN 83 83.424 14.442 4.752 624 HA GLN 83 HA GLN 83 82.765 12.893 2.434 625 HB2 GLN 83 HB2 GLN 83 84.408 15.270 3.040 626 HB3 GLN 83 HB1 GLN 83 84.999 14.330 1.673 627 HG2 GLN 83 HG2 GLN 83 82.803 14.439 0.602 628 HG3 GLN 83 HG1 GLN 83 82.141 15.294 1.996 629 HE21 GLN 83 HE21 GLN 83 81.662 17.030 0.284 630 HE22 GLN 83 HE22 GLN 83 82.898 18.131 -0.092 631 H TYR 84 HN TYR 84 86.075 13.495 3.628 632 HA TYR 84 HA TYR 84 86.816 10.767 2.681 633 HD1 TYR 84 HD1 TYR 84 88.013 13.613 5.143 634 HD2 TYR 84 HD2 TYR 84 88.394 14.282 0.917 635 HE1 TYR 84 HE1 TYR 84 87.831 16.058 5.514 636 HE2 TYR 84 HE2 TYR 84 88.212 16.728 1.288 637 HH TYR 84 HH TYR 84 88.794 18.257 3.767 638 HB2 TYR 84 HB2 TYR 84 89.198 11.923 3.295 639 HB3 TYR 84 HB1 TYR 84 88.424 12.106 1.722 640 H GLY 85 HN GLY 85 85.476 10.325 4.840 641 HA2 GLY 85 HA2 GLY 85 87.518 9.855 6.949 642 HA3 GLY 85 HA1 GLY 85 86.004 10.637 7.407 643 H ILE 86 HN ILE 86 84.639 8.954 5.244 644 HA ILE 86 HA ILE 86 84.383 6.488 6.911 645 HB ILE 86 HB ILE 86 82.193 6.294 5.449 646 HG12 ILE 86 HG12 ILE 86 81.323 8.616 4.936 647 HG13 ILE 86 HG11 ILE 86 82.958 9.219 5.212 648 HG21 ILE 86 HG21 ILE 86 82.512 6.859 7.963 649 HG22 ILE 86 HG22 ILE 86 80.987 7.313 7.202 650 HG23 ILE 86 HG23 ILE 86 82.234 8.530 7.472 651 HD11 ILE 86 HD11 ILE 86 83.804 8.199 3.311 652 HD12 ILE 86 HD12 ILE 86 82.158 8.531 2.773 653 HD13 ILE 86 HD13 ILE 86 82.594 6.916 3.334 654 H1U RCY 87 H1U RCY 87 81.857 3.212 -1.896 655 H1S RCY 87 H1S RCY 87 84.367 0.348 1.089 656 HB1 RCY 87 HB1 RCY 87 83.318 2.481 3.857 657 HB2 RCY 87 HB2 RCY 87 84.577 2.223 5.064 658 HA RCY 87 HA RCY 87 85.982 3.920 3.784 659 HN1 RCY 87 HN1 RCY 87 83.958 4.454 5.666 Start of MODEL 60 1 HA MET 1 HA MET 1 58.963 10.414 21.600 2 HB2 MET 1 HB2 MET 1 61.182 11.489 21.963 3 HB3 MET 1 HB1 MET 1 61.668 10.981 20.346 4 HG2 MET 1 HG2 MET 1 60.204 12.455 19.293 5 HG3 MET 1 HG1 MET 1 59.119 12.529 20.682 6 HE1 MET 1 HE1 MET 1 61.862 14.343 18.745 7 HE2 MET 1 HE2 MET 1 62.715 13.042 19.572 8 HE3 MET 1 HE3 MET 1 63.066 14.719 19.983 9 H ASN 2 HN ASN 2 60.036 7.864 19.842 10 HA ASN 2 HA ASN 2 58.387 8.661 17.511 11 HB2 ASN 2 HB2 ASN 2 60.866 9.164 17.062 12 HB3 ASN 2 HB1 ASN 2 61.114 7.418 17.100 13 HD21 ASN 2 HD21 ASN 2 58.019 7.762 15.976 14 HD22 ASN 2 HD22 ASN 2 58.320 7.799 14.306 15 H LEU 3 HN LEU 3 59.709 6.313 19.649 16 HA LEU 3 HA LEU 3 59.270 4.028 19.935 17 HG LEU 3 HG LEU 3 57.097 6.316 20.126 18 HB2 LEU 3 HB2 LEU 3 56.765 4.630 18.341 19 HB3 LEU 3 HB1 LEU 3 56.996 3.345 19.527 20 HD11 LEU 3 HD11 LEU 3 54.818 5.716 19.709 21 HD12 LEU 3 HD12 LEU 3 55.008 5.715 21.462 22 HD13 LEU 3 HD13 LEU 3 54.992 4.190 20.576 23 HD21 LEU 3 HD21 LEU 3 57.517 3.819 21.762 24 HD22 LEU 3 HD22 LEU 3 56.933 5.300 22.523 25 HD23 LEU 3 HD23 LEU 3 58.499 5.283 21.712 26 H GLU 4 HN GLU 4 61.080 4.276 17.991 27 HA GLU 4 HA GLU 4 60.470 3.479 15.367 28 HB2 GLU 4 HB2 GLU 4 62.767 2.603 15.263 29 HB3 GLU 4 HB1 GLU 4 62.742 4.129 16.147 30 HG2 GLU 4 HG2 GLU 4 62.565 2.772 18.281 31 HG3 GLU 4 HG1 GLU 4 62.883 1.337 17.307 32 HA PRO 5 HA PRO 5 58.664 -0.550 15.245 33 HB2 PRO 5 HB2 PRO 5 61.238 -1.306 13.887 34 HB3 PRO 5 HB1 PRO 5 59.570 -1.728 13.446 35 HG2 PRO 5 HG2 PRO 5 60.936 0.254 12.238 36 HG3 PRO 5 HG1 PRO 5 59.180 0.291 12.455 37 HD2 PRO 5 HD2 PRO 5 61.215 1.976 13.722 38 HD3 PRO 5 HD1 PRO 5 59.450 2.178 13.708 39 HA PRO 6 HA PRO 6 61.239 -2.144 18.696 40 HB2 PRO 6 HB2 PRO 6 59.274 -2.413 20.520 41 HB3 PRO 6 HB1 PRO 6 59.972 -0.828 20.135 42 HG2 PRO 6 HG2 PRO 6 57.375 -1.992 19.315 43 HG3 PRO 6 HG1 PRO 6 57.805 -0.309 19.656 44 HD2 PRO 6 HD2 PRO 6 57.593 -1.486 17.094 45 HD3 PRO 6 HD1 PRO 6 58.313 0.094 17.468 46 H LYS 7 HN LYS 7 61.610 -4.305 19.203 47 HA LYS 7 HA LYS 7 61.350 -6.632 19.146 48 HB2 LYS 7 HB2 LYS 7 58.935 -5.567 20.129 49 HB3 LYS 7 HB1 LYS 7 58.447 -6.737 18.905 50 HG2 LYS 7 HG2 LYS 7 60.443 -7.339 21.106 51 HG3 LYS 7 HG1 LYS 7 58.724 -7.726 21.208 52 HD2 LYS 7 HD2 LYS 7 58.881 -9.440 19.699 53 HD3 LYS 7 HD1 LYS 7 60.116 -8.621 18.742 54 HE2 LYS 7 HE2 LYS 7 60.864 -10.707 20.046 55 HE3 LYS 7 HE1 LYS 7 61.850 -9.257 20.235 56 HZ1 LYS 7 HZ1 LYS 7 61.537 -9.855 22.401 57 HZ2 LYS 7 HZ2 LYS 7 59.990 -10.502 22.130 58 HZ3 LYS 7 HZ3 LYS 7 60.210 -8.819 22.194 59 H ALA 8 HN ALA 8 61.594 -7.979 17.420 60 HA ALA 8 HA ALA 8 61.250 -7.192 14.761 61 HB1 ALA 8 HB1 ALA 8 60.945 -10.056 15.694 62 HB2 ALA 8 HB2 ALA 8 62.504 -9.233 15.630 63 HB3 ALA 8 HB3 ALA 8 61.579 -9.487 14.150 64 H GLU 9 HN GLU 9 59.234 -6.245 14.331 65 HA GLU 9 HA GLU 9 56.723 -7.488 15.050 66 HB2 GLU 9 HB2 GLU 9 57.175 -5.009 14.477 67 HB3 GLU 9 HB1 GLU 9 57.103 -5.518 12.790 68 HG2 GLU 9 HG2 GLU 9 54.887 -4.820 13.367 69 HG3 GLU 9 HG1 GLU 9 54.853 -6.583 13.337 70 H1U RCY 10 H1U RCY 10 61.306 -12.738 13.280 71 H1S RCY 10 H1S RCY 10 56.817 -12.729 13.610 72 HB1 RCY 10 HB1 RCY 10 55.593 -10.204 10.741 73 HB2 RCY 10 HB2 RCY 10 55.197 -9.868 12.425 74 HA RCY 10 HA RCY 10 57.691 -11.269 12.382 75 HN1 RCY 10 HN1 RCY 10 57.797 -9.634 14.060 76 H ARG 11 HN ARG 11 59.310 -8.802 11.981 77 HA ARG 11 HA ARG 11 60.770 -8.101 10.280 78 HE ARG 11 HE ARG 11 59.932 -8.946 6.321 79 HB2 ARG 11 HB2 ARG 11 59.952 -10.549 9.363 80 HB3 ARG 11 HB1 ARG 11 59.360 -9.504 8.075 81 HG2 ARG 11 HG2 ARG 11 62.194 -9.406 9.145 82 HG3 ARG 11 HG1 ARG 11 61.716 -10.330 7.720 83 HD2 ARG 11 HD2 ARG 11 61.312 -7.343 8.058 84 HD3 ARG 11 HD1 ARG 11 62.614 -8.084 7.127 85 HH11 ARG 11 HH21 ARG 11 62.517 -6.690 5.982 86 HH12 ARG 11 HH22 ARG 11 62.070 -6.216 4.377 87 HH21 ARG 11 HH11 ARG 11 59.333 -8.340 4.227 88 HH22 ARG 11 HH12 ARG 11 60.267 -7.150 3.384 89 H SER 12 HN SER 12 57.846 -8.552 8.287 90 HA SER 12 HA SER 12 57.002 -5.789 8.557 91 HG SER 12 HG SER 12 59.372 -5.050 7.952 92 HB2 SER 12 HB2 SER 12 58.152 -6.515 5.858 93 HB3 SER 12 HB1 SER 12 57.655 -4.928 6.438 94 H ALA 13 HN ALA 13 55.154 -5.337 7.017 95 HA ALA 13 HA ALA 13 54.016 -7.376 5.373 96 HB1 ALA 13 HB1 ALA 13 53.181 -7.340 8.270 97 HB2 ALA 13 HB2 ALA 13 53.586 -8.726 7.259 98 HB3 ALA 13 HB3 ALA 13 52.062 -7.873 7.016 99 H THR 14 HN THR 14 52.438 -5.359 7.858 100 HA THR 14 HA THR 14 51.043 -3.900 5.657 101 HB THR 14 HB THR 14 49.280 -3.505 7.159 102 HG1 THR 14 HG1 THR 14 49.757 -4.031 9.490 103 HG21 THR 14 HG21 THR 14 50.437 -6.112 8.176 104 HG22 THR 14 HG22 THR 14 49.618 -5.945 6.623 105 HG23 THR 14 HG23 THR 14 48.736 -5.651 8.122 106 H ARG 15 HN ARG 15 53.683 -3.135 6.072 107 HA ARG 15 HA ARG 15 53.386 -0.330 6.657 108 HE ARG 15 HE ARG 15 54.181 -1.052 11.411 109 HB2 ARG 15 HB2 ARG 15 54.873 -0.245 8.647 110 HB3 ARG 15 HB1 ARG 15 53.376 -1.115 8.981 111 HG2 ARG 15 HG2 ARG 15 54.873 -3.187 8.150 112 HG3 ARG 15 HG1 ARG 15 56.162 -2.152 8.767 113 HD2 ARG 15 HD2 ARG 15 53.718 -3.096 10.293 114 HD3 ARG 15 HD1 ARG 15 55.387 -3.592 10.569 115 HH11 ARG 15 HH21 ARG 15 57.019 -2.872 10.690 116 HH12 ARG 15 HH22 ARG 15 58.061 -1.882 11.656 117 HH21 ARG 15 HH11 ARG 15 55.525 0.251 12.677 118 HH22 ARG 15 HH12 ARG 15 57.215 -0.114 12.782 119 H VAL 16 HN VAL 16 54.510 0.039 4.747 120 HA VAL 16 HA VAL 16 57.176 -1.227 4.403 121 HB VAL 16 HB VAL 16 57.041 -0.017 2.150 122 HG11 VAL 16 HG11 VAL 16 55.039 -2.117 3.004 123 HG12 VAL 16 HG12 VAL 16 56.589 -2.361 2.198 124 HG13 VAL 16 HG13 VAL 16 55.242 -1.637 1.319 125 HG21 VAL 16 HG21 VAL 16 55.284 1.609 3.010 126 HG22 VAL 16 HG22 VAL 16 54.131 0.277 2.940 127 HG23 VAL 16 HG23 VAL 16 54.905 0.852 1.464 128 H MET 17 HN MET 17 57.490 0.348 6.477 129 HA MET 17 HA MET 17 58.692 2.184 7.302 130 HB2 MET 17 HB2 MET 17 59.533 2.694 4.440 131 HB3 MET 17 HB1 MET 17 60.410 3.090 5.918 132 HG2 MET 17 HG2 MET 17 60.356 0.526 6.367 133 HG3 MET 17 HG1 MET 17 59.988 0.392 4.647 134 HE1 MET 17 HE1 MET 17 61.931 0.124 2.906 135 HE2 MET 17 HE2 MET 17 62.927 1.569 2.751 136 HE3 MET 17 HE3 MET 17 61.178 1.724 2.902 137 H GLY 18 HN GLY 18 58.103 4.288 7.766 138 HA2 GLY 18 HA2 GLY 18 57.192 6.256 5.988 139 HA3 GLY 18 HA1 GLY 18 55.752 5.372 6.496 140 H GLY 19 HN GLY 19 54.892 7.097 7.726 141 HA2 GLY 19 HA2 GLY 19 54.669 8.518 9.584 142 HA3 GLY 19 HA1 GLY 19 55.512 7.236 10.454 143 HA PRO 20 HA PRO 20 57.981 11.263 10.656 144 HB2 PRO 20 HB2 PRO 20 58.719 9.761 13.144 145 HB3 PRO 20 HB1 PRO 20 58.418 11.496 12.924 146 HG2 PRO 20 HG2 PRO 20 56.607 9.904 14.048 147 HG3 PRO 20 HG1 PRO 20 56.135 11.244 12.989 148 HD2 PRO 20 HD2 PRO 20 56.082 8.315 12.448 149 HD3 PRO 20 HD1 PRO 20 55.071 9.608 11.766 150 H1U RCY 21 H1U RCY 21 62.927 7.062 1.941 151 H1S RCY 21 H1S RCY 21 62.273 9.071 6.100 152 HB1 RCY 21 HB1 RCY 21 60.603 8.864 7.087 153 HB2 RCY 21 HB2 RCY 21 60.177 7.733 8.372 154 HA RCY 21 HA RCY 21 61.770 9.046 9.874 155 HN1 RCY 21 HN1 RCY 21 59.449 10.695 8.987 156 H THR 22 HN THR 22 63.132 10.834 10.073 157 HA THR 22 HA THR 22 63.477 12.535 7.636 158 HB THR 22 HB THR 22 62.811 13.770 9.671 159 HG1 THR 22 HG1 THR 22 65.263 14.731 9.692 160 HG21 THR 22 HG21 THR 22 64.097 11.981 11.119 161 HG22 THR 22 HG22 THR 22 63.969 13.647 11.684 162 HG23 THR 22 HG23 THR 22 65.454 13.089 10.914 163 HA PRO 23 HA PRO 23 67.266 10.157 6.997 164 HB2 PRO 23 HB2 PRO 23 68.024 12.778 5.744 165 HB3 PRO 23 HB1 PRO 23 68.241 11.129 5.122 166 HG2 PRO 23 HG2 PRO 23 66.283 12.711 4.238 167 HG3 PRO 23 HG1 PRO 23 66.054 10.965 4.426 168 HD2 PRO 23 HD2 PRO 23 64.939 13.184 6.056 169 HD3 PRO 23 HD1 PRO 23 64.320 11.535 5.821 170 H ARG 24 HN ARG 24 69.131 10.006 8.228 171 HA ARG 24 HA ARG 24 69.572 11.992 10.317 172 HE ARG 24 HE ARG 24 72.195 8.546 12.073 173 HB2 ARG 24 HB2 ARG 24 71.448 9.731 9.614 174 HB3 ARG 24 HB1 ARG 24 71.181 10.482 11.188 175 HG2 ARG 24 HG2 ARG 24 68.724 9.651 10.897 176 HG3 ARG 24 HG1 ARG 24 69.410 8.562 9.691 177 HD2 ARG 24 HD2 ARG 24 69.889 8.653 12.651 178 HD3 ARG 24 HD1 ARG 24 69.592 7.260 11.612 179 HH11 ARG 24 HH21 ARG 24 70.209 6.478 10.159 180 HH12 ARG 24 HH22 ARG 24 71.543 5.626 9.456 181 HH21 ARG 24 HH11 ARG 24 73.949 7.446 11.166 182 HH22 ARG 24 HH12 ARG 24 73.661 6.175 10.026 183 H LYS 25 HN LYS 25 71.882 12.838 10.662 184 HA LYS 25 HA LYS 25 73.605 14.228 9.885 185 HB2 LYS 25 HB2 LYS 25 73.609 12.512 7.397 186 HB3 LYS 25 HB1 LYS 25 74.969 13.348 8.148 187 HG2 LYS 25 HG2 LYS 25 73.457 10.981 9.288 188 HG3 LYS 25 HG1 LYS 25 75.112 10.975 8.679 189 HD2 LYS 25 HD2 LYS 25 75.583 12.795 10.438 190 HD3 LYS 25 HD1 LYS 25 74.040 12.330 11.155 191 HE2 LYS 25 HE2 LYS 25 75.745 11.047 12.268 192 HE3 LYS 25 HE1 LYS 25 74.889 9.943 11.191 193 HZ1 LYS 25 HZ1 LYS 25 76.985 9.461 10.558 194 HZ2 LYS 25 HZ2 LYS 25 77.607 10.972 11.024 195 HZ3 LYS 25 HZ3 LYS 25 76.770 10.811 9.554 196 H GLY 26 HN GLY 26 74.133 15.824 8.131 197 HA2 GLY 26 HA2 GLY 26 71.619 16.868 6.980 198 HA3 GLY 26 HA1 GLY 26 73.152 17.736 7.071 199 HA PRO 27 HA PRO 27 72.518 16.596 2.612 200 HB2 PRO 27 HB2 PRO 27 74.516 18.809 2.425 201 HB3 PRO 27 HB1 PRO 27 73.021 18.558 1.503 202 HG2 PRO 27 HG2 PRO 27 73.201 20.398 3.427 203 HG3 PRO 27 HG1 PRO 27 71.705 19.502 3.117 204 HD2 PRO 27 HD2 PRO 27 73.649 19.196 5.361 205 HD3 PRO 27 HD1 PRO 27 71.895 18.912 5.339 206 HA PRO 28 HA PRO 28 76.125 14.232 1.630 207 HB2 PRO 28 HB2 PRO 28 77.085 16.218 -0.391 208 HB3 PRO 28 HB1 PRO 28 76.796 14.476 -0.571 209 HG2 PRO 28 HG2 PRO 28 75.104 16.269 -1.565 210 HG3 PRO 28 HG1 PRO 28 74.526 14.752 -0.854 211 HD2 PRO 28 HD2 PRO 28 74.427 17.520 0.278 212 HD3 PRO 28 HD1 PRO 28 73.287 16.172 0.490 213 H LYS 29 HN LYS 29 78.301 14.031 2.289 214 HA LYS 29 HA LYS 29 79.845 16.488 2.870 215 HB2 LYS 29 HB2 LYS 29 80.320 15.629 5.205 216 HB3 LYS 29 HB1 LYS 29 78.677 16.215 4.957 217 HG2 LYS 29 HG2 LYS 29 79.146 13.335 4.381 218 HG3 LYS 29 HG1 LYS 29 79.210 13.814 6.078 219 HD2 LYS 29 HD2 LYS 29 76.996 14.930 5.810 220 HD3 LYS 29 HD1 LYS 29 76.923 14.327 4.154 221 HE2 LYS 29 HE2 LYS 29 75.678 12.822 5.627 222 HE3 LYS 29 HE1 LYS 29 77.117 12.002 5.021 223 HZ1 LYS 29 HZ1 LYS 29 77.372 13.491 7.519 224 HZ2 LYS 29 HZ2 LYS 29 78.107 12.035 7.041 225 HZ3 LYS 29 HZ3 LYS 29 76.493 12.040 7.573 226 H1U RCY 30 H1U RCY 30 78.892 10.727 -4.727 227 H1S RCY 30 H1S RCY 30 81.728 12.847 -2.808 228 HB1 RCY 30 HB1 RCY 30 83.535 13.401 -0.588 229 HB2 RCY 30 HB2 RCY 30 83.493 15.082 -0.064 230 HA RCY 30 HA RCY 30 82.097 12.705 1.167 231 HN1 RCY 30 HN1 RCY 30 80.814 15.165 0.939 232 H LYS 31 HN LYS 31 83.078 12.172 3.113 233 HA LYS 31 HA LYS 31 84.800 14.063 4.507 234 HB2 LYS 31 HB2 LYS 31 83.374 11.870 5.308 235 HB3 LYS 31 HB1 LYS 31 84.999 11.197 5.225 236 HG2 LYS 31 HG2 LYS 31 84.951 12.043 7.403 237 HG3 LYS 31 HG1 LYS 31 85.676 13.384 6.515 238 HD2 LYS 31 HD2 LYS 31 83.312 14.302 6.231 239 HD3 LYS 31 HD1 LYS 31 82.802 13.099 7.417 240 HE2 LYS 31 HE2 LYS 31 84.823 15.320 7.825 241 HE3 LYS 31 HE1 LYS 31 83.248 15.159 8.603 242 HZ1 LYS 31 HZ1 LYS 31 85.055 14.423 10.043 243 HZ2 LYS 31 HZ2 LYS 31 85.510 13.257 8.894 244 HZ3 LYS 31 HZ3 LYS 31 84.004 13.144 9.672 245 H GLN 32 HN GLN 32 85.674 10.755 3.631 246 HA GLN 32 HA GLN 32 87.973 11.716 2.048 247 HB2 GLN 32 HB2 GLN 32 88.682 11.676 4.490 248 HB3 GLN 32 HB1 GLN 32 88.437 9.930 4.449 249 HG2 GLN 32 HG2 GLN 32 90.015 9.838 2.482 250 HG3 GLN 32 HG1 GLN 32 90.370 11.543 2.765 251 HE21 GLN 32 HE21 GLN 32 89.715 10.211 5.764 252 HE22 GLN 32 HE22 GLN 32 91.298 9.830 6.242 253 H ARG 33 HN ARG 33 86.776 10.540 0.388 254 HA ARG 33 HA ARG 33 87.670 7.829 0.066 255 HE ARG 33 HE ARG 33 83.684 5.629 1.841 256 HB2 ARG 33 HB2 ARG 33 85.286 6.848 0.008 257 HB3 ARG 33 HB1 ARG 33 85.998 7.128 1.596 258 HG2 ARG 33 HG2 ARG 33 84.845 9.363 1.647 259 HG3 ARG 33 HG1 ARG 33 84.021 8.916 0.152 260 HD2 ARG 33 HD2 ARG 33 83.722 7.733 2.901 261 HD3 ARG 33 HD1 ARG 33 82.469 8.264 1.779 262 HH11 ARG 33 HH21 ARG 33 82.298 8.095 -0.130 263 HH12 ARG 33 HH22 ARG 33 81.768 6.998 -1.361 264 HH21 ARG 33 HH11 ARG 33 82.999 4.183 0.245 265 HH22 ARG 33 HH12 ARG 33 82.164 4.783 -1.149 266 H GLN 34 HN GLN 34 88.297 9.027 -1.889 267 HA GLN 34 HA GLN 34 87.963 9.794 -4.090 268 HB2 GLN 34 HB2 GLN 34 85.832 7.640 -3.929 269 HB3 GLN 34 HB1 GLN 34 86.470 8.333 -5.420 270 HG2 GLN 34 HG2 GLN 34 87.692 6.310 -5.076 271 HG3 GLN 34 HG1 GLN 34 88.782 7.613 -4.603 272 HE21 GLN 34 HE21 GLN 34 89.566 7.589 -2.465 273 HE22 GLN 34 HE22 GLN 34 89.017 6.525 -1.262 274 H THR 35 HN THR 35 87.177 11.906 -3.727 275 HA THR 35 HA THR 35 84.422 12.450 -3.041 276 HB THR 35 HB THR 35 86.212 14.073 -2.577 277 HG1 THR 35 HG1 THR 35 84.457 15.235 -2.761 278 HG21 THR 35 HG21 THR 35 87.483 13.453 -4.708 279 HG22 THR 35 HG22 THR 35 87.434 15.170 -4.305 280 HG23 THR 35 HG23 THR 35 86.374 14.528 -5.560 281 H ARG 36 HN ARG 36 86.173 12.037 -6.064 282 HA ARG 36 HA ARG 36 83.568 12.081 -7.497 283 HE ARG 36 HE ARG 36 83.581 14.212 -10.441 284 HB2 ARG 36 HB2 ARG 36 85.928 13.872 -8.036 285 HB3 ARG 36 HB1 ARG 36 84.905 13.355 -9.374 286 HG2 ARG 36 HG2 ARG 36 82.921 14.141 -7.919 287 HG3 ARG 36 HG1 ARG 36 84.132 14.980 -6.949 288 HD2 ARG 36 HD2 ARG 36 83.176 16.451 -8.707 289 HD3 ARG 36 HD1 ARG 36 84.907 16.201 -8.929 290 HH11 ARG 36 HH21 ARG 36 83.906 17.639 -10.251 291 HH12 ARG 36 HH22 ARG 36 83.670 17.889 -11.948 292 HH21 ARG 36 HH11 ARG 36 83.271 14.518 -12.659 293 HH22 ARG 36 HH12 ARG 36 83.311 16.122 -13.312 294 H GLN 37 HN GLN 37 86.523 10.631 -6.884 295 HA GLN 37 HA GLN 37 87.155 9.565 -9.479 296 HB2 GLN 37 HB2 GLN 37 88.194 9.370 -6.830 297 HB3 GLN 37 HB1 GLN 37 87.913 7.724 -7.395 298 HG2 GLN 37 HG2 GLN 37 89.412 9.839 -8.968 299 HG3 GLN 37 HG1 GLN 37 90.185 8.586 -7.996 300 HE21 GLN 37 HE21 GLN 37 88.327 9.169 -10.955 301 HE22 GLN 37 HE22 GLN 37 88.563 7.624 -11.617 302 H1U RCY 38 H1U RCY 38 84.148 1.260 -5.985 303 H1S RCY 38 H1S RCY 38 83.776 4.370 -8.564 304 HB1 RCY 38 HB1 RCY 38 82.436 7.810 -10.162 305 HB2 RCY 38 HB2 RCY 38 83.156 7.794 -8.552 306 HA RCY 38 HA RCY 38 84.681 5.901 -9.574 307 HN1 RCY 38 HN1 RCY 38 85.609 8.454 -10.589 308 H LYS 39 HN LYS 39 86.125 6.382 -11.814 309 HA LYS 39 HA LYS 39 84.332 6.683 -14.130 310 HB2 LYS 39 HB2 LYS 39 87.297 6.348 -13.740 311 HB3 LYS 39 HB1 LYS 39 86.591 6.044 -15.325 312 HG2 LYS 39 HG2 LYS 39 87.262 8.364 -15.262 313 HG3 LYS 39 HG1 LYS 39 85.501 8.318 -15.184 314 HD2 LYS 39 HD2 LYS 39 86.652 8.142 -12.527 315 HD3 LYS 39 HD1 LYS 39 87.226 9.584 -13.365 316 HE2 LYS 39 HE2 LYS 39 84.983 10.337 -13.783 317 HE3 LYS 39 HE1 LYS 39 84.305 8.799 -13.248 318 HZ1 LYS 39 HZ1 LYS 39 85.993 10.005 -11.277 319 HZ2 LYS 39 HZ2 LYS 39 84.401 9.429 -11.134 320 HZ3 LYS 39 HZ3 LYS 39 84.689 11.005 -11.699 321 H SER 40 HN SER 40 86.888 4.260 -13.985 322 HA SER 40 HA SER 40 84.922 2.232 -14.878 323 HG SER 40 HG SER 40 86.037 0.620 -16.252 324 HB2 SER 40 HB2 SER 40 87.139 2.559 -16.049 325 HB3 SER 40 HB1 SER 40 87.924 1.948 -14.596 326 H LYS 41 HN LYS 41 84.611 0.257 -13.769 327 HA LYS 41 HA LYS 41 85.935 -0.103 -11.142 328 HB2 LYS 41 HB2 LYS 41 83.688 -0.473 -10.061 329 HB3 LYS 41 HB1 LYS 41 83.995 1.200 -10.522 330 HG2 LYS 41 HG2 LYS 41 82.804 -0.250 -12.730 331 HG3 LYS 41 HG1 LYS 41 81.794 -0.383 -11.290 332 HD2 LYS 41 HD2 LYS 41 82.898 2.239 -12.334 333 HD3 LYS 41 HD1 LYS 41 81.284 1.635 -12.710 334 HE2 LYS 41 HE2 LYS 41 80.568 2.590 -10.800 335 HE3 LYS 41 HE1 LYS 41 81.524 1.396 -9.921 336 HZ1 LYS 41 HZ1 LYS 41 83.458 2.963 -10.295 337 HZ2 LYS 41 HZ2 LYS 41 82.281 3.461 -9.176 338 HZ3 LYS 41 HZ3 LYS 41 82.308 4.129 -10.738 339 HA PRO 42 HA PRO 42 85.109 -4.050 -13.362 340 HB2 PRO 42 HB2 PRO 42 87.642 -5.002 -13.402 341 HB3 PRO 42 HB1 PRO 42 87.071 -3.797 -14.573 342 HG2 PRO 42 HG2 PRO 42 88.784 -3.439 -12.180 343 HG3 PRO 42 HG1 PRO 42 88.826 -2.601 -13.739 344 HD2 PRO 42 HD2 PRO 42 87.662 -1.608 -11.381 345 HD3 PRO 42 HD1 PRO 42 87.381 -0.981 -13.020 346 HA PRO 43 HA PRO 43 85.064 -6.418 -9.568 347 HB2 PRO 43 HB2 PRO 43 84.402 -8.856 -10.519 348 HB3 PRO 43 HB1 PRO 43 83.266 -7.493 -10.583 349 HG2 PRO 43 HG2 PRO 43 84.972 -8.619 -12.748 350 HG3 PRO 43 HG1 PRO 43 83.297 -8.043 -12.814 351 HD2 PRO 43 HD2 PRO 43 85.482 -6.548 -13.629 352 HD3 PRO 43 HD1 PRO 43 83.931 -5.850 -13.116 353 H LYS 44 HN LYS 44 86.741 -7.248 -8.371 354 HA LYS 44 HA LYS 44 88.997 -8.545 -9.810 355 HB2 LYS 44 HB2 LYS 44 89.403 -6.653 -8.178 356 HB3 LYS 44 HB1 LYS 44 88.845 -7.725 -6.894 357 HG2 LYS 44 HG2 LYS 44 90.700 -9.109 -7.050 358 HG3 LYS 44 HG1 LYS 44 90.972 -8.724 -8.750 359 HD2 LYS 44 HD2 LYS 44 91.264 -6.537 -6.725 360 HD3 LYS 44 HD1 LYS 44 92.559 -7.726 -6.876 361 HE2 LYS 44 HE2 LYS 44 91.413 -6.092 -9.161 362 HE3 LYS 44 HE1 LYS 44 92.945 -5.771 -8.349 363 HZ1 LYS 44 HZ1 LYS 44 92.208 -8.043 -10.076 364 HZ2 LYS 44 HZ2 LYS 44 93.470 -8.193 -8.948 365 HZ3 LYS 44 HZ3 LYS 44 93.559 -7.022 -10.176 366 H LYS 45 HN LYS 45 86.587 -10.043 -9.560 367 HA LYS 45 HA LYS 45 85.791 -12.112 -8.780 368 HB2 LYS 45 HB2 LYS 45 88.790 -12.459 -8.495 369 HB3 LYS 45 HB1 LYS 45 87.637 -13.773 -8.275 370 HG2 LYS 45 HG2 LYS 45 88.062 -14.059 -10.524 371 HG3 LYS 45 HG1 LYS 45 86.759 -12.875 -10.646 372 HD2 LYS 45 HD2 LYS 45 88.551 -11.071 -10.589 373 HD3 LYS 45 HD1 LYS 45 89.738 -12.361 -10.789 374 HE2 LYS 45 HE2 LYS 45 87.553 -11.525 -12.700 375 HE3 LYS 45 HE1 LYS 45 89.290 -11.607 -12.996 376 HZ1 LYS 45 HZ1 LYS 45 87.746 -14.017 -12.273 377 HZ2 LYS 45 HZ2 LYS 45 89.254 -13.913 -13.049 378 HZ3 LYS 45 HZ3 LYS 45 87.836 -13.487 -13.882 379 H GLY 46 HN GLY 46 85.398 -10.245 -6.876 380 HA2 GLY 46 HA2 GLY 46 85.030 -10.018 -4.570 381 HA3 GLY 46 HA1 GLY 46 85.366 -11.746 -4.444 382 H VAL 47 HN VAL 47 86.279 -9.274 -2.857 383 HA VAL 47 HA VAL 47 89.084 -10.169 -2.603 384 HB VAL 47 HB VAL 47 89.586 -7.532 -2.486 385 HG11 VAL 47 HG11 VAL 47 90.381 -7.692 -4.821 386 HG12 VAL 47 HG12 VAL 47 89.393 -9.134 -5.056 387 HG13 VAL 47 HG13 VAL 47 90.745 -9.167 -3.924 388 HG21 VAL 47 HG21 VAL 47 87.539 -7.682 -4.703 389 HG22 VAL 47 HG22 VAL 47 88.295 -6.247 -4.011 390 HG23 VAL 47 HG23 VAL 47 87.102 -7.152 -3.079 391 H GLN 48 HN GLN 48 87.794 -7.110 -1.427 392 HA GLN 48 HA GLN 48 86.962 -8.202 1.143 393 HB2 GLN 48 HB2 GLN 48 89.727 -7.481 0.760 394 HB3 GLN 48 HB1 GLN 48 88.997 -6.349 1.897 395 HG2 GLN 48 HG2 GLN 48 88.136 -8.247 3.229 396 HG3 GLN 48 HG1 GLN 48 88.891 -9.374 2.100 397 HE21 GLN 48 HE21 GLN 48 90.633 -6.419 2.705 398 HE22 GLN 48 HE22 GLN 48 91.813 -7.084 3.727 399 H GLY 49 HN GLY 49 86.353 -6.221 -1.187 400 HA2 GLY 49 HA2 GLY 49 84.765 -4.434 -1.148 401 HA3 GLY 49 HA1 GLY 49 85.101 -4.203 0.568 402 H1U RCY 50 H1U RCY 50 82.139 2.795 -2.702 403 H1S RCY 50 H1S RCY 50 84.338 -0.323 -1.414 404 HB1 RCY 50 HB1 RCY 50 85.921 -0.226 -2.682 405 HB2 RCY 50 HB2 RCY 50 87.503 0.428 -2.260 406 HA RCY 50 HA RCY 50 87.614 -1.776 -3.458 407 HN1 RCY 50 HN1 RCY 50 85.937 -3.237 -2.639 408 H GLY 51 HN GLY 51 89.625 -2.752 -3.202 409 HA2 GLY 51 HA2 GLY 51 91.017 -3.276 -0.827 410 HA3 GLY 51 HA1 GLY 51 91.812 -2.921 -2.360 411 H ASP 52 HN ASP 52 90.014 -0.251 -1.861 412 HA ASP 52 HA ASP 52 92.125 1.508 -1.360 413 HB2 ASP 52 HB2 ASP 52 89.883 2.246 -2.082 414 HB3 ASP 52 HB1 ASP 52 89.238 1.845 -0.490 415 H ASP 53 HN ASP 53 89.818 1.831 1.193 416 HA ASP 53 HA ASP 53 91.264 0.413 3.246 417 HB2 ASP 53 HB2 ASP 53 92.283 2.299 4.403 418 HB3 ASP 53 HB1 ASP 53 92.900 2.246 2.751 419 H ILE 54 HN ILE 54 88.590 0.502 2.616 420 HA ILE 54 HA ILE 54 87.418 2.045 4.902 421 HB ILE 54 HB ILE 54 86.165 1.446 2.204 422 HG12 ILE 54 HG12 ILE 54 87.856 3.246 2.140 423 HG13 ILE 54 HG11 ILE 54 86.233 3.903 1.928 424 HG21 ILE 54 HG21 ILE 54 84.458 1.386 3.903 425 HG22 ILE 54 HG22 ILE 54 84.348 2.959 3.113 426 HG23 ILE 54 HG23 ILE 54 85.117 2.818 4.694 427 HD11 ILE 54 HD11 ILE 54 86.978 5.352 3.555 428 HD12 ILE 54 HD12 ILE 54 88.103 4.177 4.235 429 HD13 ILE 54 HD13 ILE 54 86.382 4.064 4.602 430 HA PRO 55 HA PRO 55 86.392 -2.367 5.570 431 HB2 PRO 55 HB2 PRO 55 86.778 -2.410 8.246 432 HB3 PRO 55 HB1 PRO 55 88.132 -2.462 7.100 433 HG2 PRO 55 HG2 PRO 55 87.137 -0.204 8.744 434 HG3 PRO 55 HG1 PRO 55 88.790 -0.607 8.255 435 HD2 PRO 55 HD2 PRO 55 87.149 1.331 7.043 436 HD3 PRO 55 HD1 PRO 55 88.638 0.652 6.353 437 H GLY 56 HN GLY 56 84.152 -1.399 4.979 438 HA2 GLY 56 HA2 GLY 56 81.869 -1.285 5.513 439 HA3 GLY 56 HA1 GLY 56 82.278 -2.031 7.057 440 H MET 57 HN MET 57 84.264 0.478 7.118 441 HA MET 57 HA MET 57 84.204 2.639 8.032 442 HB2 MET 57 HB2 MET 57 81.220 2.794 7.754 443 HB3 MET 57 HB1 MET 57 82.435 4.044 7.505 444 HG2 MET 57 HG2 MET 57 83.100 2.156 5.589 445 HG3 MET 57 HG1 MET 57 81.336 2.113 5.590 446 HE1 MET 57 HE1 MET 57 80.186 5.602 5.051 447 HE2 MET 57 HE2 MET 57 81.063 5.588 6.579 448 HE3 MET 57 HE3 MET 57 80.092 4.193 6.115 449 H GLU 58 HN GLU 58 81.730 0.329 9.022 450 HA GLU 58 HA GLU 58 81.128 -0.355 11.184 451 HB2 GLU 58 HB2 GLU 58 83.671 0.354 11.574 452 HB3 GLU 58 HB1 GLU 58 82.921 1.671 12.475 453 HG2 GLU 58 HG2 GLU 58 81.557 -0.078 13.701 454 HG3 GLU 58 HG1 GLU 58 82.573 -1.301 12.936 455 H GLY 59 HN GLY 59 79.289 1.105 10.141 456 HA2 GLY 59 HA2 GLY 59 78.445 2.955 12.296 457 HA3 GLY 59 HA1 GLY 59 78.508 3.612 10.659 458 H1U RCY 60 H1U RCY 60 74.474 5.167 3.473 459 H1S RCY 60 H1S RCY 60 75.702 4.375 7.973 460 HB1 RCY 60 HB1 RCY 60 74.411 0.238 8.149 461 HB2 RCY 60 HB2 RCY 60 76.016 0.889 7.820 462 HA RCY 60 HA RCY 60 74.943 0.624 10.635 463 HN1 RCY 60 HN1 RCY 60 77.813 0.649 9.886 464 H GLY 61 HN GLY 61 76.398 -1.195 11.737 465 HA2 GLY 61 HA2 GLY 61 76.189 -3.597 11.903 466 HA3 GLY 61 HA1 GLY 61 75.925 -3.667 10.157 467 H THR 62 HN THR 62 77.687 -3.745 8.786 468 HA THR 62 HA THR 62 80.312 -3.038 9.133 469 HB THR 62 HB THR 62 81.070 -5.599 9.826 470 HG1 THR 62 HG1 THR 62 79.198 -5.013 11.789 471 HG21 THR 62 HG21 THR 62 81.163 -4.394 12.242 472 HG22 THR 62 HG22 THR 62 80.853 -2.987 11.224 473 HG23 THR 62 HG23 THR 62 82.271 -3.992 10.930 474 H ASP 63 HN ASP 63 81.107 -6.050 8.497 475 HA ASP 63 HA ASP 63 80.960 -5.720 5.632 476 HB2 ASP 63 HB2 ASP 63 81.909 -8.060 5.610 477 HB3 ASP 63 HB1 ASP 63 82.843 -6.906 6.563 478 H ILE 64 HN ILE 64 78.325 -5.824 7.004 479 HA ILE 64 HA ILE 64 77.086 -7.775 5.201 480 HB ILE 64 HB ILE 64 77.624 -9.258 7.036 481 HG12 ILE 64 HG12 ILE 64 74.715 -8.486 7.354 482 HG13 ILE 64 HG11 ILE 64 75.320 -9.312 5.918 483 HG21 ILE 64 HG21 ILE 64 76.146 -7.273 8.791 484 HG22 ILE 64 HG22 ILE 64 77.897 -7.479 8.755 485 HG23 ILE 64 HG23 ILE 64 76.865 -8.794 9.318 486 HD11 ILE 64 HD11 ILE 64 75.553 -10.323 8.768 487 HD12 ILE 64 HD12 ILE 64 76.184 -11.142 7.340 488 HD13 ILE 64 HD13 ILE 64 74.444 -10.940 7.543 489 H THR 65 HN THR 65 76.822 -5.233 7.603 490 HA THR 65 HA THR 65 74.961 -3.863 8.176 491 HB THR 65 HB THR 65 74.094 -2.688 6.275 492 HG1 THR 65 HG1 THR 65 75.024 -4.848 4.694 493 HG21 THR 65 HG21 THR 65 76.884 -3.716 5.692 494 HG22 THR 65 HG22 THR 65 76.464 -2.282 6.629 495 HG23 THR 65 HG23 THR 65 76.149 -2.326 4.894 496 H VAL 66 HN VAL 66 74.586 -6.736 8.177 497 HA VAL 66 HA VAL 66 72.802 -8.199 8.620 498 HB VAL 66 HB VAL 66 70.863 -6.065 7.714 499 HG11 VAL 66 HG11 VAL 66 69.379 -7.171 9.286 500 HG12 VAL 66 HG12 VAL 66 70.697 -8.183 9.878 501 HG13 VAL 66 HG13 VAL 66 70.090 -8.397 8.236 502 HG21 VAL 66 HG21 VAL 66 70.899 -5.622 10.343 503 HG22 VAL 66 HG22 VAL 66 71.993 -4.762 9.261 504 HG23 VAL 66 HG23 VAL 66 72.570 -6.158 10.170 505 H ILE 67 HN ILE 67 72.586 -6.144 5.762 506 HA ILE 67 HA ILE 67 72.237 -8.581 4.103 507 HB ILE 67 HB ILE 67 70.576 -6.087 3.670 508 HG12 ILE 67 HG12 ILE 67 69.806 -8.754 4.901 509 HG13 ILE 67 HG11 ILE 67 69.893 -7.212 5.753 510 HG21 ILE 67 HG21 ILE 67 69.391 -7.483 2.062 511 HG22 ILE 67 HG22 ILE 67 70.370 -8.880 2.505 512 HG23 ILE 67 HG23 ILE 67 71.112 -7.509 1.681 513 HD11 ILE 67 HD11 ILE 67 67.967 -8.024 3.570 514 HD12 ILE 67 HD12 ILE 67 68.210 -6.338 4.027 515 HD13 ILE 67 HD13 ILE 67 67.592 -7.492 5.209 516 H1U RCY 68 H1U RCY 68 73.901 -0.888 3.951 517 H1S RCY 68 H1S RCY 68 77.334 -3.766 2.943 518 HB1 RCY 68 HB1 RCY 68 77.181 -6.910 1.559 519 HB2 RCY 68 HB2 RCY 68 76.577 -8.049 2.758 520 HA RCY 68 HA RCY 68 74.817 -5.843 1.690 521 HN1 RCY 68 HN1 RCY 68 74.162 -8.469 2.976 522 HA PRO 69 HA PRO 69 74.164 -7.330 -2.393 523 HB2 PRO 69 HB2 PRO 69 77.020 -7.132 -3.075 524 HB3 PRO 69 HB1 PRO 69 75.643 -6.237 -3.734 525 HG2 PRO 69 HG2 PRO 69 77.543 -5.383 -1.786 526 HG3 PRO 69 HG1 PRO 69 76.193 -4.478 -2.480 527 HD2 PRO 69 HD2 PRO 69 76.374 -5.307 0.182 528 HD3 PRO 69 HD1 PRO 69 74.874 -4.823 -0.640 529 H TRP 70 HN TRP 70 77.325 -8.555 -1.193 530 HA TRP 70 HA TRP 70 77.151 -11.009 -2.666 531 HD1 TRP 70 HD1 TRP 70 77.467 -10.663 1.430 532 HE1 TRP 70 HE1 TRP 70 78.339 -8.755 2.925 533 HE3 TRP 70 HE3 TRP 70 80.829 -8.514 -1.756 534 HZ2 TRP 70 HZ2 TRP 70 80.218 -6.597 2.789 535 HZ3 TRP 70 HZ3 TRP 70 82.144 -6.539 -1.051 536 HH2 TRP 70 HH2 TRP 70 81.845 -5.577 1.213 537 HB2 TRP 70 HB2 TRP 70 78.880 -11.766 -0.869 538 HB3 TRP 70 HB1 TRP 70 79.323 -10.464 -1.972 539 H GLU 71 HN GLU 71 74.771 -10.299 -0.922 540 HA GLU 71 HA GLU 71 74.507 -12.997 0.270 541 HB2 GLU 71 HB2 GLU 71 74.970 -12.075 2.316 542 HB3 GLU 71 HB1 GLU 71 74.607 -10.442 1.778 543 HG2 GLU 71 HG2 GLU 71 72.972 -11.338 3.476 544 HG3 GLU 71 HG1 GLU 71 72.222 -10.838 1.959 545 H ALA 72 HN ALA 72 72.788 -9.873 -0.202 546 HA ALA 72 HA ALA 72 70.232 -11.254 -0.490 547 HB1 ALA 72 HB1 ALA 72 69.817 -9.127 0.287 548 HB2 ALA 72 HB2 ALA 72 69.675 -8.800 -1.438 549 HB3 ALA 72 HB3 ALA 72 71.177 -8.427 -0.589 550 H1U RCY 73 H1U RCY 73 73.050 -3.182 -1.735 551 H1S RCY 73 H1S RCY 73 71.327 -5.212 -5.203 552 HB1 RCY 73 HB1 RCY 73 69.723 -8.087 -4.852 553 HB2 RCY 73 HB2 RCY 73 70.300 -8.683 -6.407 554 HA RCY 73 HA RCY 73 70.226 -10.603 -5.006 555 HN1 RCY 73 HN1 RCY 73 70.990 -8.803 -2.841 556 H ASN 74 HN ASN 74 72.688 -11.284 -3.531 557 HA ASN 74 HA ASN 74 74.974 -11.754 -3.926 558 HB2 ASN 74 HB2 ASN 74 75.286 -12.994 -6.039 559 HB3 ASN 74 HB1 ASN 74 73.789 -13.473 -5.237 560 HD21 ASN 74 HD21 ASN 74 71.748 -12.762 -6.197 561 HD22 ASN 74 HD22 ASN 74 71.683 -12.152 -7.779 562 H HIS 75 HN HIS 75 75.729 -11.533 -6.992 563 HA HIS 75 HA HIS 75 76.922 -8.851 -6.699 564 HD1 HIS 75 HD1 HIS 75 78.771 -12.701 -7.644 565 HD2 HIS 75 HD2 HIS 75 79.499 -8.812 -6.325 566 HE1 HIS 75 HE1 HIS 75 80.687 -12.852 -5.995 567 HE2 HIS 75 HE2 HIS 75 81.140 -10.491 -5.184 568 HB2 HIS 75 HB2 HIS 75 77.231 -11.078 -8.723 569 HB3 HIS 75 HB1 HIS 75 77.981 -9.499 -8.947 570 H1U RCY 76 H1U RCY 76 74.533 -2.417 -3.921 571 H1S RCY 76 H1S RCY 76 75.355 -4.755 -7.091 572 HB1 RCY 76 HB1 RCY 76 74.603 -5.411 -10.664 573 HB2 RCY 76 HB2 RCY 76 75.991 -5.598 -9.592 574 HA RCY 76 HA RCY 76 74.189 -7.918 -10.313 575 HN1 RCY 76 HN1 RCY 76 77.018 -8.153 -9.457 576 H GLU 77 HN GLU 77 74.130 -8.256 -12.487 577 HA GLU 77 HA GLU 77 76.578 -8.490 -14.015 578 HB2 GLU 77 HB2 GLU 77 73.660 -8.487 -14.833 579 HB3 GLU 77 HB1 GLU 77 74.988 -8.782 -15.956 580 HG2 GLU 77 HG2 GLU 77 75.691 -10.734 -14.721 581 HG3 GLU 77 HG1 GLU 77 74.549 -10.384 -13.423 582 H LEU 78 HN LEU 78 74.044 -6.796 -15.650 583 HA LEU 78 HA LEU 78 75.891 -4.530 -16.107 584 HG LEU 78 HG LEU 78 75.957 -5.918 -18.014 585 HB2 LEU 78 HB2 LEU 78 73.390 -5.559 -17.404 586 HB3 LEU 78 HB1 LEU 78 73.817 -3.862 -17.627 587 HD11 LEU 78 HD11 LEU 78 75.242 -6.075 -20.431 588 HD12 LEU 78 HD12 LEU 78 73.719 -5.318 -19.967 589 HD13 LEU 78 HD13 LEU 78 74.160 -6.891 -19.303 590 HD21 LEU 78 HD21 LEU 78 75.273 -3.392 -19.544 591 HD22 LEU 78 HD22 LEU 78 76.798 -4.276 -19.570 592 HD23 LEU 78 HD23 LEU 78 76.306 -3.409 -18.115 593 H HIS 79 HN HIS 79 74.724 -2.289 -16.167 594 HA HIS 79 HA HIS 79 73.555 -1.883 -13.504 595 HD1 HIS 79 HD1 HIS 79 72.672 2.031 -15.440 596 HD2 HIS 79 HD2 HIS 79 74.770 -0.873 -17.576 597 HE1 HIS 79 HE1 HIS 79 72.384 2.599 -17.891 598 HE2 HIS 79 HE2 HIS 79 73.656 0.838 -19.203 599 HB2 HIS 79 HB2 HIS 79 73.849 0.453 -13.915 600 HB3 HIS 79 HB1 HIS 79 75.260 -0.335 -14.621 601 H GLU 80 HN GLU 80 72.341 -2.645 -16.538 602 HA GLU 80 HA GLU 80 69.869 -1.067 -16.309 603 HB2 GLU 80 HB2 GLU 80 70.592 -3.300 -18.234 604 HB3 GLU 80 HB1 GLU 80 69.221 -2.200 -18.386 605 HG2 GLU 80 HG2 GLU 80 70.917 -0.294 -18.358 606 HG3 GLU 80 HG1 GLU 80 72.164 -1.526 -18.560 607 H LEU 81 HN LEU 81 71.065 -4.089 -15.201 608 HA LEU 81 HA LEU 81 68.377 -5.283 -14.912 609 HG LEU 81 HG LEU 81 70.591 -8.008 -15.819 610 HB2 LEU 81 HB2 LEU 81 71.189 -6.201 -14.324 611 HB3 LEU 81 HB1 LEU 81 69.817 -7.051 -13.618 612 HD11 LEU 81 HD11 LEU 81 68.116 -7.876 -14.826 613 HD12 LEU 81 HD12 LEU 81 68.432 -8.575 -16.414 614 HD13 LEU 81 HD13 LEU 81 67.848 -6.916 -16.281 615 HD21 LEU 81 HD21 LEU 81 71.081 -5.657 -16.741 616 HD22 LEU 81 HD22 LEU 81 69.345 -5.531 -17.026 617 HD23 LEU 81 HD23 LEU 81 70.283 -6.783 -17.839 618 H ALA 82 HN ALA 82 69.890 -2.871 -13.381 619 HA ALA 82 HA ALA 82 69.715 -3.625 -10.606 620 HB1 ALA 82 HB1 ALA 82 69.406 -0.879 -10.625 621 HB2 ALA 82 HB2 ALA 82 70.209 -1.173 -12.166 622 HB3 ALA 82 HB3 ALA 82 70.956 -1.717 -10.665 623 H GLN 83 HN GLN 83 67.393 -4.554 -11.766 624 HA GLN 83 HA GLN 83 65.062 -4.528 -11.549 625 HB2 GLN 83 HB2 GLN 83 65.947 -2.930 -9.141 626 HB3 GLN 83 HB1 GLN 83 64.255 -3.328 -9.437 627 HG2 GLN 83 HG2 GLN 83 65.359 -4.991 -7.954 628 HG3 GLN 83 HG1 GLN 83 64.790 -5.716 -9.458 629 HE21 GLN 83 HE21 GLN 83 66.358 -7.331 -9.839 630 HE22 GLN 83 HE22 GLN 83 68.025 -7.028 -9.947 631 H TYR 84 HN TYR 84 65.267 -1.332 -10.107 632 HA TYR 84 HA TYR 84 63.767 -0.269 -12.450 633 HD1 TYR 84 HD2 TYR 84 62.074 1.826 -12.487 634 HD2 TYR 84 HD1 TYR 84 61.774 -0.945 -9.218 635 HE1 TYR 84 HE2 TYR 84 59.666 1.503 -12.982 636 HE2 TYR 84 HE1 TYR 84 59.366 -1.268 -9.714 637 HH TYR 84 HH TYR 84 57.554 0.715 -11.397 638 HB2 TYR 84 HB2 TYR 84 63.775 0.234 -9.552 639 HB3 TYR 84 HB1 TYR 84 63.772 1.716 -10.509 640 H GLY 85 HN GLY 85 66.871 -0.594 -11.886 641 HA2 GLY 85 HA2 GLY 85 68.804 0.649 -12.390 642 HA3 GLY 85 HA1 GLY 85 67.777 1.455 -13.577 643 H ILE 86 HN ILE 86 67.483 1.472 -10.040 644 HA ILE 86 HA ILE 86 66.826 4.183 -9.771 645 HB ILE 86 HB ILE 86 68.357 2.373 -7.882 646 HG12 ILE 86 HG12 ILE 86 65.465 3.255 -7.778 647 HG13 ILE 86 HG11 ILE 86 65.972 1.794 -8.626 648 HG21 ILE 86 HG21 ILE 86 67.180 5.134 -7.517 649 HG22 ILE 86 HG22 ILE 86 68.816 4.591 -7.143 650 HG23 ILE 86 HG23 ILE 86 67.459 4.047 -6.156 651 HD11 ILE 86 HD11 ILE 86 66.691 2.328 -5.737 652 HD12 ILE 86 HD12 ILE 86 66.810 0.805 -6.618 653 HD13 ILE 86 HD13 ILE 86 65.227 1.464 -6.208 654 H1U RCY 87 H1U RCY 87 70.755 0.061 -6.511 655 H1S RCY 87 H1S RCY 87 74.002 3.240 -8.246 656 HB1 RCY 87 HB1 RCY 87 72.378 4.023 -12.389 657 HB2 RCY 87 HB2 RCY 87 71.757 2.633 -11.501 658 HA RCY 87 HA RCY 87 71.612 4.817 -9.713 659 HN1 RCY 87 HN1 RCY 87 69.792 2.902 -10.820 Start of MODEL 61 1 HA MET 1 HA MET 1 68.189 -13.614 -17.900 2 HB2 MET 1 HB2 MET 1 70.114 -15.277 -17.962 3 HB3 MET 1 HB1 MET 1 71.164 -13.919 -18.368 4 HG2 MET 1 HG2 MET 1 71.298 -14.128 -15.998 5 HG3 MET 1 HG1 MET 1 70.222 -12.761 -16.285 6 HE1 MET 1 HE1 MET 1 68.638 -14.178 -13.161 7 HE2 MET 1 HE2 MET 1 68.556 -12.725 -14.154 8 HE3 MET 1 HE3 MET 1 70.123 -13.422 -13.751 9 H ASN 2 HN ASN 2 68.187 -11.531 -17.132 10 HA ASN 2 HA ASN 2 70.135 -9.552 -18.000 11 HB2 ASN 2 HB2 ASN 2 68.484 -9.744 -19.946 12 HB3 ASN 2 HB1 ASN 2 67.274 -9.067 -18.855 13 HD21 ASN 2 HD21 ASN 2 70.438 -8.356 -20.377 14 HD22 ASN 2 HD22 ASN 2 70.306 -6.669 -20.232 15 H LEU 3 HN LEU 3 67.613 -7.640 -17.598 16 HA LEU 3 HA LEU 3 68.183 -7.034 -14.853 17 HG LEU 3 HG LEU 3 66.437 -5.640 -13.792 18 HB2 LEU 3 HB2 LEU 3 67.158 -5.518 -16.699 19 HB3 LEU 3 HB1 LEU 3 65.621 -6.252 -16.243 20 HD11 LEU 3 HD11 LEU 3 68.645 -4.793 -14.796 21 HD12 LEU 3 HD12 LEU 3 67.831 -3.714 -13.664 22 HD13 LEU 3 HD13 LEU 3 67.715 -3.421 -15.399 23 HD21 LEU 3 HD21 LEU 3 64.390 -4.773 -14.752 24 HD22 LEU 3 HD22 LEU 3 65.292 -3.699 -15.822 25 HD23 LEU 3 HD23 LEU 3 65.288 -3.411 -14.082 26 H GLU 4 HN GLU 4 65.103 -6.727 -14.408 27 HA GLU 4 HA GLU 4 64.800 -9.410 -13.157 28 HB2 GLU 4 HB2 GLU 4 63.408 -6.764 -12.678 29 HB3 GLU 4 HB1 GLU 4 62.943 -8.269 -11.882 30 HG2 GLU 4 HG2 GLU 4 65.064 -8.459 -10.795 31 HG3 GLU 4 HG1 GLU 4 65.767 -7.187 -11.794 32 HA PRO 5 HA PRO 5 62.094 -10.630 -16.535 33 HB2 PRO 5 HB2 PRO 5 60.804 -12.136 -14.284 34 HB3 PRO 5 HB1 PRO 5 61.254 -12.704 -15.904 35 HG2 PRO 5 HG2 PRO 5 62.732 -13.272 -13.753 36 HG3 PRO 5 HG1 PRO 5 63.463 -12.975 -15.339 37 HD2 PRO 5 HD2 PRO 5 63.492 -11.259 -12.916 38 HD3 PRO 5 HD1 PRO 5 64.626 -11.300 -14.283 39 HA PRO 6 HA PRO 6 58.591 -7.904 -16.414 40 HB2 PRO 6 HB2 PRO 6 56.991 -10.320 -17.185 41 HB3 PRO 6 HB1 PRO 6 57.003 -8.700 -17.909 42 HG2 PRO 6 HG2 PRO 6 58.273 -10.770 -19.035 43 HG3 PRO 6 HG1 PRO 6 58.890 -9.114 -19.136 44 HD2 PRO 6 HD2 PRO 6 59.948 -11.408 -17.590 45 HD3 PRO 6 HD1 PRO 6 60.778 -9.933 -18.128 46 H LYS 7 HN LYS 7 56.773 -7.420 -15.088 47 HA LYS 7 HA LYS 7 56.005 -7.425 -12.810 48 HB2 LYS 7 HB2 LYS 7 53.962 -8.659 -12.796 49 HB3 LYS 7 HB1 LYS 7 54.235 -8.174 -14.467 50 HG2 LYS 7 HG2 LYS 7 55.488 -10.505 -14.605 51 HG3 LYS 7 HG1 LYS 7 54.463 -10.895 -13.224 52 HD2 LYS 7 HD2 LYS 7 53.063 -11.526 -14.960 53 HD3 LYS 7 HD1 LYS 7 52.570 -9.845 -14.759 54 HE2 LYS 7 HE2 LYS 7 52.931 -10.033 -17.081 55 HE3 LYS 7 HE1 LYS 7 54.430 -9.315 -16.490 56 HZ1 LYS 7 HZ1 LYS 7 53.997 -12.217 -16.953 57 HZ2 LYS 7 HZ2 LYS 7 55.449 -11.481 -16.463 58 HZ3 LYS 7 HZ3 LYS 7 54.818 -11.176 -18.011 59 H ALA 8 HN ALA 8 57.455 -7.984 -11.225 60 HA ALA 8 HA ALA 8 58.284 -10.796 -10.901 61 HB1 ALA 8 HB1 ALA 8 58.910 -8.384 -9.170 62 HB2 ALA 8 HB2 ALA 8 59.890 -8.914 -10.538 63 HB3 ALA 8 HB3 ALA 8 59.721 -9.949 -9.120 64 H GLU 9 HN GLU 9 58.363 -10.073 -7.867 65 HA GLU 9 HA GLU 9 55.482 -10.375 -7.216 66 HB2 GLU 9 HB2 GLU 9 56.700 -12.664 -7.523 67 HB3 GLU 9 HB1 GLU 9 57.482 -12.273 -5.992 68 HG2 GLU 9 HG2 GLU 9 55.296 -12.024 -4.909 69 HG3 GLU 9 HG1 GLU 9 54.483 -12.346 -6.442 70 H1U RCY 10 H1U RCY 10 58.824 -11.877 0.145 71 H1S RCY 10 H1S RCY 10 60.299 -11.399 -3.596 72 HB1 RCY 10 HB1 RCY 10 59.419 -7.942 -3.343 73 HB2 RCY 10 HB2 RCY 10 59.908 -7.296 -4.910 74 HA RCY 10 HA RCY 10 57.191 -7.982 -3.903 75 HN1 RCY 10 HN1 RCY 10 57.539 -8.285 -6.826 76 H ARG 11 HN ARG 11 55.978 -6.666 -6.161 77 HA ARG 11 HA ARG 11 57.225 -4.188 -6.822 78 HE ARG 11 HE ARG 11 57.002 -4.533 -8.775 79 HB2 ARG 11 HB2 ARG 11 55.158 -5.263 -7.898 80 HB3 ARG 11 HB1 ARG 11 54.240 -4.593 -6.551 81 HG2 ARG 11 HG2 ARG 11 54.102 -2.668 -7.722 82 HG3 ARG 11 HG1 ARG 11 55.834 -2.467 -7.453 83 HD2 ARG 11 HD2 ARG 11 54.468 -3.762 -9.821 84 HD3 ARG 11 HD1 ARG 11 55.518 -2.345 -9.821 85 HH11 ARG 11 HH21 ARG 11 55.478 -3.437 -11.667 86 HH12 ARG 11 HH22 ARG 11 56.579 -4.262 -12.719 87 HH21 ARG 11 HH11 ARG 11 58.449 -5.617 -10.132 88 HH22 ARG 11 HH12 ARG 11 58.261 -5.497 -11.849 89 H SER 12 HN SER 12 54.727 -2.632 -5.904 90 HA SER 12 HA SER 12 54.835 -2.502 -3.028 91 HG SER 12 HG SER 12 55.295 0.421 -2.669 92 HB2 SER 12 HB2 SER 12 57.089 -1.576 -3.555 93 HB3 SER 12 HB1 SER 12 56.323 -0.320 -4.523 94 H ALA 13 HN ALA 13 54.750 0.653 -3.838 95 HA ALA 13 HA ALA 13 53.025 2.183 -4.262 96 HB1 ALA 13 HB1 ALA 13 51.431 0.024 -5.617 97 HB2 ALA 13 HB2 ALA 13 52.910 0.616 -6.373 98 HB3 ALA 13 HB3 ALA 13 51.583 1.729 -6.041 99 H THR 14 HN THR 14 52.616 -0.678 -2.521 100 HA THR 14 HA THR 14 49.865 -0.004 -1.634 101 HB THR 14 HB THR 14 50.237 -2.122 -0.211 102 HG1 THR 14 HG1 THR 14 52.160 -2.907 -2.005 103 HG21 THR 14 HG21 THR 14 50.224 -2.112 -3.232 104 HG22 THR 14 HG22 THR 14 48.851 -2.286 -2.139 105 HG23 THR 14 HG23 THR 14 50.025 -3.593 -2.295 106 H ARG 15 HN ARG 15 52.582 -1.204 0.320 107 HA ARG 15 HA ARG 15 53.003 1.246 1.762 108 HE ARG 15 HE ARG 15 49.115 -3.008 4.771 109 HB2 ARG 15 HB2 ARG 15 51.943 0.543 3.914 110 HB3 ARG 15 HB1 ARG 15 50.763 0.846 2.639 111 HG2 ARG 15 HG2 ARG 15 50.989 -1.698 2.136 112 HG3 ARG 15 HG1 ARG 15 51.697 -1.796 3.749 113 HD2 ARG 15 HD2 ARG 15 49.682 -0.719 4.695 114 HD3 ARG 15 HD1 ARG 15 48.971 -0.643 3.083 115 HH11 ARG 15 HH21 ARG 15 49.067 -1.759 1.558 116 HH12 ARG 15 HH22 ARG 15 48.402 -3.201 0.865 117 HH21 ARG 15 HH11 ARG 15 48.248 -4.898 3.885 118 HH22 ARG 15 HH12 ARG 15 47.938 -4.978 2.183 119 H VAL 16 HN VAL 16 54.178 -1.416 0.660 120 HA VAL 16 HA VAL 16 55.950 -2.848 1.217 121 HB VAL 16 HB VAL 16 56.546 -0.656 3.229 122 HG11 VAL 16 HG11 VAL 16 57.950 -2.469 3.763 123 HG12 VAL 16 HG12 VAL 16 58.937 -1.511 2.660 124 HG13 VAL 16 HG13 VAL 16 58.114 -2.958 2.077 125 HG21 VAL 16 HG21 VAL 16 58.106 0.107 1.354 126 HG22 VAL 16 HG22 VAL 16 56.385 0.368 1.068 127 HG23 VAL 16 HG23 VAL 16 57.213 -0.983 0.294 128 H MET 17 HN MET 17 56.940 -4.089 3.145 129 HA MET 17 HA MET 17 54.920 -5.427 4.580 130 HB2 MET 17 HB2 MET 17 57.192 -6.336 4.285 131 HB3 MET 17 HB1 MET 17 57.835 -5.087 5.350 132 HG2 MET 17 HG2 MET 17 56.539 -5.942 7.221 133 HG3 MET 17 HG1 MET 17 55.734 -7.111 6.174 134 HE1 MET 17 HE1 MET 17 58.949 -5.697 7.428 135 HE2 MET 17 HE2 MET 17 59.984 -7.074 7.796 136 HE3 MET 17 HE3 MET 17 58.536 -6.787 8.757 137 H GLY 18 HN GLY 18 57.367 -3.845 6.557 138 HA2 GLY 18 HA2 GLY 18 57.145 -2.264 8.295 139 HA3 GLY 18 HA1 GLY 18 55.525 -1.899 7.698 140 H GLY 19 HN GLY 19 53.787 -2.809 8.742 141 HA2 GLY 19 HA2 GLY 19 52.610 -3.975 10.400 142 HA3 GLY 19 HA1 GLY 19 53.785 -5.269 10.161 143 HA PRO 20 HA PRO 20 54.936 -4.157 14.350 144 HB2 PRO 20 HB2 PRO 20 56.849 -6.059 14.726 145 HB3 PRO 20 HB1 PRO 20 55.113 -6.428 14.740 146 HG2 PRO 20 HG2 PRO 20 57.108 -6.835 12.570 147 HG3 PRO 20 HG1 PRO 20 55.767 -7.872 13.081 148 HD2 PRO 20 HD2 PRO 20 55.657 -6.207 10.885 149 HD3 PRO 20 HD1 PRO 20 54.225 -6.733 11.797 150 H1U RCY 21 H1U RCY 21 58.289 -2.093 4.423 151 H1S RCY 21 H1S RCY 21 59.950 -2.863 8.181 152 HB1 RCY 21 HB1 RCY 21 58.731 -3.677 11.017 153 HB2 RCY 21 HB2 RCY 21 60.131 -2.865 11.715 154 HA RCY 21 HA RCY 21 58.777 -2.099 13.352 155 HN1 RCY 21 HN1 RCY 21 56.280 -2.874 11.923 156 H THR 22 HN THR 22 59.153 0.099 13.284 157 HA THR 22 HA THR 22 57.062 1.761 12.021 158 HB THR 22 HB THR 22 58.321 3.613 13.259 159 HG1 THR 22 HG1 THR 22 59.902 1.428 13.713 160 HG21 THR 22 HG21 THR 22 57.511 2.756 15.512 161 HG22 THR 22 HG22 THR 22 57.111 1.244 14.698 162 HG23 THR 22 HG23 THR 22 56.310 2.741 14.221 163 HA PRO 23 HA PRO 23 60.144 2.439 8.748 164 HB2 PRO 23 HB2 PRO 23 58.435 3.334 6.844 165 HB3 PRO 23 HB1 PRO 23 58.562 1.615 7.266 166 HG2 PRO 23 HG2 PRO 23 56.484 3.593 8.024 167 HG3 PRO 23 HG1 PRO 23 56.326 1.866 7.667 168 HD2 PRO 23 HD2 PRO 23 56.395 2.977 10.234 169 HD3 PRO 23 HD1 PRO 23 56.697 1.270 9.848 170 H ARG 24 HN ARG 24 60.215 4.501 7.065 171 HA ARG 24 HA ARG 24 60.647 6.797 6.888 172 HE ARG 24 HE ARG 24 56.770 8.033 6.557 173 HB2 ARG 24 HB2 ARG 24 58.118 6.761 7.466 174 HB3 ARG 24 HB1 ARG 24 58.628 7.243 9.084 175 HG2 ARG 24 HG2 ARG 24 59.856 9.170 8.092 176 HG3 ARG 24 HG1 ARG 24 59.241 8.712 6.503 177 HD2 ARG 24 HD2 ARG 24 57.491 9.373 8.889 178 HD3 ARG 24 HD1 ARG 24 57.877 10.504 7.591 179 HH11 ARG 24 HH21 ARG 24 56.079 11.052 8.072 180 HH12 ARG 24 HH22 ARG 24 54.473 11.157 7.432 181 HH21 ARG 24 HH11 ARG 24 54.676 8.152 5.713 182 HH22 ARG 24 HH12 ARG 24 53.678 9.515 6.097 183 H LYS 25 HN LYS 25 62.262 8.029 7.753 184 HA LYS 25 HA LYS 25 63.185 7.338 10.489 185 HB2 LYS 25 HB2 LYS 25 64.646 9.192 8.620 186 HB3 LYS 25 HB1 LYS 25 65.303 8.107 9.844 187 HG2 LYS 25 HG2 LYS 25 63.859 7.087 7.390 188 HG3 LYS 25 HG1 LYS 25 65.602 7.360 7.415 189 HD2 LYS 25 HD2 LYS 25 65.902 5.767 9.199 190 HD3 LYS 25 HD1 LYS 25 64.160 5.622 9.434 191 HE2 LYS 25 HE2 LYS 25 65.439 4.967 6.781 192 HE3 LYS 25 HE1 LYS 25 65.333 3.766 8.068 193 HZ1 LYS 25 HZ1 LYS 25 63.284 3.371 7.360 194 HZ2 LYS 25 HZ2 LYS 25 63.301 4.711 6.316 195 HZ3 LYS 25 HZ3 LYS 25 62.841 4.903 7.940 196 H GLY 26 HN GLY 26 62.745 8.686 12.161 197 HA2 GLY 26 HA2 GLY 26 61.247 11.099 11.850 198 HA3 GLY 26 HA1 GLY 26 62.071 10.607 13.330 199 HA PRO 27 HA PRO 27 64.950 13.943 13.111 200 HB2 PRO 27 HB2 PRO 27 67.061 11.818 13.258 201 HB3 PRO 27 HB1 PRO 27 66.890 13.302 14.215 202 HG2 PRO 27 HG2 PRO 27 66.217 10.889 15.177 203 HG3 PRO 27 HG1 PRO 27 65.366 12.371 15.641 204 HD2 PRO 27 HD2 PRO 27 64.422 10.135 13.953 205 HD3 PRO 27 HD1 PRO 27 63.481 11.370 14.816 206 HA PRO 28 HA PRO 28 66.229 14.516 8.899 207 HB2 PRO 28 HB2 PRO 28 68.925 15.192 10.027 208 HB3 PRO 28 HB1 PRO 28 67.944 16.081 8.845 209 HG2 PRO 28 HG2 PRO 28 68.111 16.832 11.410 210 HG3 PRO 28 HG1 PRO 28 66.637 17.048 10.453 211 HD2 PRO 28 HD2 PRO 28 67.157 15.160 12.672 212 HD3 PRO 28 HD1 PRO 28 65.608 15.760 12.043 213 H LYS 29 HN LYS 29 66.847 12.948 7.448 214 HA LYS 29 HA LYS 29 68.502 10.707 8.397 215 HB2 LYS 29 HB2 LYS 29 67.987 9.728 6.166 216 HB3 LYS 29 HB1 LYS 29 66.531 10.207 7.039 217 HG2 LYS 29 HG2 LYS 29 66.478 12.333 5.778 218 HG3 LYS 29 HG1 LYS 29 67.920 11.838 4.891 219 HD2 LYS 29 HD2 LYS 29 66.767 10.003 3.865 220 HD3 LYS 29 HD1 LYS 29 65.376 10.199 4.932 221 HE2 LYS 29 HE2 LYS 29 66.295 12.348 3.008 222 HE3 LYS 29 HE1 LYS 29 65.073 11.145 2.596 223 HZ1 LYS 29 HZ1 LYS 29 63.654 11.927 4.277 224 HZ2 LYS 29 HZ2 LYS 29 64.231 13.321 3.497 225 HZ3 LYS 29 HZ3 LYS 29 64.872 12.860 5.001 226 H1U RCY 30 H1U RCY 30 72.118 12.628 -0.847 227 H1S RCY 30 H1S RCY 30 73.308 14.375 2.679 228 HB1 RCY 30 HB1 RCY 30 70.500 15.508 6.044 229 HB2 RCY 30 HB2 RCY 30 69.841 14.921 4.518 230 HA RCY 30 HA RCY 30 71.091 12.795 4.820 231 HN1 RCY 30 HN1 RCY 30 68.828 13.528 6.344 232 H LYS 31 HN LYS 31 71.466 15.047 7.535 233 HA LYS 31 HA LYS 31 74.101 13.854 8.115 234 HB2 LYS 31 HB2 LYS 31 72.621 16.279 9.168 235 HB3 LYS 31 HB1 LYS 31 74.140 15.731 9.872 236 HG2 LYS 31 HG2 LYS 31 74.973 17.198 8.293 237 HG3 LYS 31 HG1 LYS 31 74.904 15.733 7.314 238 HD2 LYS 31 HD2 LYS 31 72.519 16.462 6.690 239 HD3 LYS 31 HD1 LYS 31 72.948 18.034 7.366 240 HE2 LYS 31 HE2 LYS 31 74.879 18.164 5.826 241 HE3 LYS 31 HE1 LYS 31 74.426 16.605 5.136 242 HZ1 LYS 31 HZ1 LYS 31 72.768 17.513 3.969 243 HZ2 LYS 31 HZ2 LYS 31 73.581 18.983 4.221 244 HZ3 LYS 31 HZ3 LYS 31 72.288 18.541 5.230 245 H GLN 32 HN GLN 32 73.566 14.784 11.041 246 HA GLN 32 HA GLN 32 73.181 13.577 13.023 247 HB2 GLN 32 HB2 GLN 32 70.680 13.647 11.439 248 HB3 GLN 32 HB1 GLN 32 70.714 12.412 12.695 249 HG2 GLN 32 HG2 GLN 32 69.819 14.469 13.642 250 HG3 GLN 32 HG1 GLN 32 71.413 14.169 14.337 251 HE21 GLN 32 HE21 GLN 32 70.113 16.814 14.066 252 HE22 GLN 32 HE22 GLN 32 71.122 17.745 13.068 253 H ARG 33 HN ARG 33 74.897 12.013 12.483 254 HA ARG 33 HA ARG 33 73.848 9.282 12.449 255 HE ARG 33 HE ARG 33 74.355 9.772 7.911 256 HB2 ARG 33 HB2 ARG 33 75.400 8.661 10.500 257 HB3 ARG 33 HB1 ARG 33 73.912 9.511 10.081 258 HG2 ARG 33 HG2 ARG 33 75.033 11.547 9.704 259 HG3 ARG 33 HG1 ARG 33 76.451 11.041 10.622 260 HD2 ARG 33 HD2 ARG 33 76.766 11.025 8.110 261 HD3 ARG 33 HD1 ARG 33 77.105 9.486 8.902 262 HH11 ARG 33 HH21 ARG 33 77.607 8.772 7.353 263 HH12 ARG 33 HH22 ARG 33 77.187 7.642 6.109 264 HH21 ARG 33 HH11 ARG 33 73.788 8.302 6.290 265 HH22 ARG 33 HH12 ARG 33 75.025 7.376 5.508 266 H GLN 34 HN GLN 34 75.842 11.472 13.673 267 HA GLN 34 HA GLN 34 77.792 11.370 14.967 268 HB2 GLN 34 HB2 GLN 34 76.443 9.360 15.856 269 HB3 GLN 34 HB1 GLN 34 77.511 8.364 14.866 270 HG2 GLN 34 HG2 GLN 34 79.459 9.557 16.014 271 HG3 GLN 34 HG1 GLN 34 78.271 10.186 17.156 272 HE21 GLN 34 HE21 GLN 34 79.060 6.981 15.669 273 HE22 GLN 34 HE22 GLN 34 78.885 6.110 17.115 274 H THR 35 HN THR 35 78.971 12.093 13.022 275 HA THR 35 HA THR 35 81.211 10.374 12.437 276 HB THR 35 HB THR 35 80.180 10.841 9.809 277 HG1 THR 35 HG1 THR 35 78.137 10.556 10.097 278 HG21 THR 35 HG21 THR 35 81.728 9.061 10.358 279 HG22 THR 35 HG22 THR 35 80.245 8.331 9.744 280 HG23 THR 35 HG23 THR 35 80.570 8.343 11.478 281 H ARG 36 HN ARG 36 79.581 12.719 10.295 282 HA ARG 36 HA ARG 36 80.437 14.718 9.387 283 HE ARG 36 HE ARG 36 80.474 15.643 14.086 284 HB2 ARG 36 HB2 ARG 36 81.349 15.102 12.255 285 HB3 ARG 36 HB1 ARG 36 81.033 16.370 11.070 286 HG2 ARG 36 HG2 ARG 36 78.657 15.530 10.928 287 HG3 ARG 36 HG1 ARG 36 79.018 14.463 12.285 288 HD2 ARG 36 HD2 ARG 36 79.122 17.490 12.265 289 HD3 ARG 36 HD1 ARG 36 78.016 16.469 13.184 290 HH11 ARG 36 HH21 ARG 36 78.952 18.702 13.626 291 HH12 ARG 36 HH22 ARG 36 79.798 19.468 14.929 292 HH21 ARG 36 HH11 ARG 36 81.587 16.625 15.791 293 HH22 ARG 36 HH12 ARG 36 81.289 18.292 16.155 294 H GLN 37 HN GLN 37 82.238 12.376 9.356 295 HA GLN 37 HA GLN 37 84.790 13.872 9.028 296 HB2 GLN 37 HB2 GLN 37 84.767 12.709 11.274 297 HB3 GLN 37 HB1 GLN 37 84.636 11.178 10.412 298 HG2 GLN 37 HG2 GLN 37 86.737 11.721 9.187 299 HG3 GLN 37 HG1 GLN 37 86.885 13.195 10.145 300 HE21 GLN 37 HE21 GLN 37 89.021 11.712 10.585 301 HE22 GLN 37 HE22 GLN 37 88.922 10.777 11.998 302 H1U RCY 38 H1U RCY 38 78.339 11.419 5.203 303 H1S RCY 38 H1S RCY 38 81.840 8.241 4.362 304 HB1 RCY 38 HB1 RCY 38 83.652 10.142 5.147 305 HB2 RCY 38 HB2 RCY 38 82.881 10.411 6.708 306 HA RCY 38 HA RCY 38 85.357 9.003 7.121 307 HN1 RCY 38 HN1 RCY 38 85.067 10.477 8.923 308 H LYS 39 HN LYS 39 87.391 9.320 6.281 309 HA LYS 39 HA LYS 39 87.864 11.698 4.553 310 HB2 LYS 39 HB2 LYS 39 89.481 11.130 6.407 311 HB3 LYS 39 HB1 LYS 39 89.872 9.648 5.536 312 HG2 LYS 39 HG2 LYS 39 91.524 11.121 4.765 313 HG3 LYS 39 HG1 LYS 39 90.292 11.253 3.509 314 HD2 LYS 39 HD2 LYS 39 90.444 13.488 3.902 315 HD3 LYS 39 HD1 LYS 39 89.434 13.136 5.305 316 HE2 LYS 39 HE2 LYS 39 91.260 14.334 6.209 317 HE3 LYS 39 HE1 LYS 39 91.655 12.647 6.536 318 HZ1 LYS 39 HZ1 LYS 39 93.404 14.206 5.453 319 HZ2 LYS 39 HZ2 LYS 39 92.551 13.873 4.022 320 HZ3 LYS 39 HZ3 LYS 39 93.249 12.606 4.912 321 H SER 40 HN SER 40 89.956 9.097 3.905 322 HA SER 40 HA SER 40 88.302 7.886 1.807 323 HG SER 40 HG SER 40 88.831 8.555 -0.752 324 HB2 SER 40 HB2 SER 40 89.074 10.018 0.767 325 HB3 SER 40 HB1 SER 40 90.741 9.518 1.041 326 H LYS 41 HN LYS 41 90.129 7.213 4.190 327 HA LYS 41 HA LYS 41 91.838 5.229 2.727 328 HB2 LYS 41 HB2 LYS 41 93.251 5.369 4.907 329 HB3 LYS 41 HB1 LYS 41 93.401 6.674 3.732 330 HG2 LYS 41 HG2 LYS 41 91.790 8.027 4.997 331 HG3 LYS 41 HG1 LYS 41 91.582 6.716 6.159 332 HD2 LYS 41 HD2 LYS 41 94.340 7.767 5.612 333 HD3 LYS 41 HD1 LYS 41 93.269 8.668 6.686 334 HE2 LYS 41 HE2 LYS 41 92.917 6.577 8.013 335 HE3 LYS 41 HE1 LYS 41 94.105 5.769 6.990 336 HZ1 LYS 41 HZ1 LYS 41 95.631 6.542 8.380 337 HZ2 LYS 41 HZ2 LYS 41 94.518 7.551 9.173 338 HZ3 LYS 41 HZ3 LYS 41 95.316 8.096 7.776 339 HA PRO 42 HA PRO 42 89.036 2.884 5.525 340 HB2 PRO 42 HB2 PRO 42 87.868 1.308 3.677 341 HB3 PRO 42 HB1 PRO 42 87.361 2.994 3.908 342 HG2 PRO 42 HG2 PRO 42 89.019 1.801 1.762 343 HG3 PRO 42 HG1 PRO 42 87.869 3.144 1.690 344 HD2 PRO 42 HD2 PRO 42 90.683 3.367 1.874 345 HD3 PRO 42 HD1 PRO 42 89.507 4.679 2.102 346 HA PRO 43 HA PRO 43 91.698 -0.651 5.890 347 HB2 PRO 43 HB2 PRO 43 89.951 -2.566 6.826 348 HB3 PRO 43 HB1 PRO 43 90.603 -1.253 7.825 349 HG2 PRO 43 HG2 PRO 43 87.948 -1.483 6.507 350 HG3 PRO 43 HG1 PRO 43 88.371 -0.812 8.091 351 HD2 PRO 43 HD2 PRO 43 87.853 0.758 5.912 352 HD3 PRO 43 HD1 PRO 43 88.960 1.249 7.213 353 H LYS 44 HN LYS 44 92.456 -2.163 4.434 354 HA LYS 44 HA LYS 44 92.492 -3.595 2.576 355 HB2 LYS 44 HB2 LYS 44 90.835 -4.808 4.128 356 HB3 LYS 44 HB1 LYS 44 89.563 -4.109 3.125 357 HG2 LYS 44 HG2 LYS 44 90.454 -5.184 1.143 358 HG3 LYS 44 HG1 LYS 44 91.860 -5.762 2.039 359 HD2 LYS 44 HD2 LYS 44 90.564 -7.285 3.311 360 HD3 LYS 44 HD1 LYS 44 89.050 -6.496 2.866 361 HE2 LYS 44 HE2 LYS 44 89.766 -8.729 1.663 362 HE3 LYS 44 HE1 LYS 44 89.035 -7.423 0.730 363 HZ1 LYS 44 HZ1 LYS 44 91.205 -8.486 -0.106 364 HZ2 LYS 44 HZ2 LYS 44 91.956 -7.543 1.090 365 HZ3 LYS 44 HZ3 LYS 44 91.060 -6.796 -0.145 366 H LYS 45 HN LYS 45 92.601 -2.678 0.587 367 HA LYS 45 HA LYS 45 90.337 -0.958 -0.321 368 HB2 LYS 45 HB2 LYS 45 91.894 0.051 -1.850 369 HB3 LYS 45 HB1 LYS 45 92.703 -0.051 -0.287 370 HG2 LYS 45 HG2 LYS 45 93.587 -2.343 -1.146 371 HG3 LYS 45 HG1 LYS 45 93.137 -1.741 -2.742 372 HD2 LYS 45 HD2 LYS 45 94.468 0.393 -2.048 373 HD3 LYS 45 HD1 LYS 45 95.194 -0.657 -0.831 374 HE2 LYS 45 HE2 LYS 45 96.658 -0.894 -2.652 375 HE3 LYS 45 HE1 LYS 45 95.595 -2.291 -2.824 376 HZ1 LYS 45 HZ1 LYS 45 95.435 0.285 -4.284 377 HZ2 LYS 45 HZ2 LYS 45 94.213 -0.895 -4.330 378 HZ3 LYS 45 HZ3 LYS 45 95.762 -1.248 -4.932 379 H GLY 46 HN GLY 46 89.376 -1.321 -2.368 380 HA2 GLY 46 HA2 GLY 46 89.818 -4.067 -3.456 381 HA3 GLY 46 HA1 GLY 46 88.308 -3.165 -3.599 382 H VAL 47 HN VAL 47 91.413 -3.734 -5.008 383 HA VAL 47 HA VAL 47 91.597 -1.432 -6.697 384 HB VAL 47 HB VAL 47 92.603 -4.253 -7.175 385 HG11 VAL 47 HG11 VAL 47 93.239 -1.588 -8.464 386 HG12 VAL 47 HG12 VAL 47 92.654 -3.053 -9.253 387 HG13 VAL 47 HG13 VAL 47 94.292 -2.996 -8.603 388 HG21 VAL 47 HG21 VAL 47 93.361 -3.096 -5.054 389 HG22 VAL 47 HG22 VAL 47 94.064 -1.838 -6.070 390 HG23 VAL 47 HG23 VAL 47 94.665 -3.493 -6.173 391 H GLN 48 HN GLN 48 90.387 -4.721 -7.452 392 HA GLN 48 HA GLN 48 89.165 -3.700 -9.938 393 HB2 GLN 48 HB2 GLN 48 90.328 -6.002 -9.607 394 HB3 GLN 48 HB1 GLN 48 88.824 -6.484 -8.824 395 HG2 GLN 48 HG2 GLN 48 87.649 -5.562 -10.932 396 HG3 GLN 48 HG1 GLN 48 89.247 -5.600 -11.679 397 HE21 GLN 48 HE21 GLN 48 87.476 -7.285 -12.870 398 HE22 GLN 48 HE22 GLN 48 87.741 -8.898 -12.413 399 H GLY 49 HN GLY 49 88.284 -3.877 -6.703 400 HA2 GLY 49 HA2 GLY 49 85.546 -4.703 -6.906 401 HA3 GLY 49 HA1 GLY 49 86.217 -3.721 -5.604 402 H1U RCY 50 H1U RCY 50 83.632 3.458 -2.126 403 H1S RCY 50 H1S RCY 50 83.950 3.283 -6.212 404 HB1 RCY 50 HB1 RCY 50 87.060 0.861 -8.442 405 HB2 RCY 50 HB2 RCY 50 87.036 0.874 -6.679 406 HA RCY 50 HA RCY 50 84.561 0.098 -6.944 407 HN1 RCY 50 HN1 RCY 50 86.853 -1.382 -6.552 408 H GLY 51 HN GLY 51 83.012 -0.421 -8.387 409 HA2 GLY 51 HA2 GLY 51 83.522 -1.572 -10.980 410 HA3 GLY 51 HA1 GLY 51 81.972 -0.935 -10.432 411 H ASP 52 HN ASP 52 85.027 0.862 -10.629 412 HA ASP 52 HA ASP 52 85.571 2.792 -11.846 413 HB2 ASP 52 HB2 ASP 52 83.559 1.989 -13.933 414 HB3 ASP 52 HB1 ASP 52 85.150 2.719 -14.146 415 H ASP 53 HN ASP 53 83.552 3.081 -9.870 416 HA ASP 53 HA ASP 53 81.845 4.550 -9.211 417 HB2 ASP 53 HB2 ASP 53 83.074 6.075 -11.522 418 HB3 ASP 53 HB1 ASP 53 81.867 6.761 -10.435 419 H ILE 54 HN ILE 54 81.598 2.747 -11.905 420 HA ILE 54 HA ILE 54 78.834 3.749 -12.478 421 HB ILE 54 HB ILE 54 80.814 2.619 -14.483 422 HG12 ILE 54 HG12 ILE 54 79.584 5.380 -14.432 423 HG13 ILE 54 HG11 ILE 54 81.118 5.031 -13.634 424 HG21 ILE 54 HG21 ILE 54 78.991 3.310 -16.106 425 HG22 ILE 54 HG22 ILE 54 77.933 3.527 -14.712 426 HG23 ILE 54 HG23 ILE 54 78.587 1.932 -15.083 427 HD11 ILE 54 HD11 ILE 54 81.357 5.897 -15.993 428 HD12 ILE 54 HD12 ILE 54 80.570 4.420 -16.551 429 HD13 ILE 54 HD13 ILE 54 82.122 4.332 -15.716 430 HA PRO 55 HA PRO 55 78.748 -0.720 -11.347 431 HB2 PRO 55 HB2 PRO 55 77.032 -0.565 -9.272 432 HB3 PRO 55 HB1 PRO 55 78.748 -0.148 -9.097 433 HG2 PRO 55 HG2 PRO 55 76.389 1.637 -9.323 434 HG3 PRO 55 HG1 PRO 55 77.869 1.832 -8.371 435 HD2 PRO 55 HD2 PRO 55 77.350 3.050 -10.850 436 HD3 PRO 55 HD1 PRO 55 78.945 2.907 -10.080 437 H GLY 56 HN GLY 56 75.624 0.236 -10.207 438 HA2 GLY 56 HA2 GLY 56 74.286 -1.439 -12.145 439 HA3 GLY 56 HA1 GLY 56 73.490 -0.408 -10.958 440 H MET 57 HN MET 57 75.481 1.703 -12.378 441 HA MET 57 HA MET 57 75.052 3.467 -13.878 442 HB2 MET 57 HB2 MET 57 75.662 1.568 -15.422 443 HB3 MET 57 HB1 MET 57 73.940 1.224 -15.592 444 HG2 MET 57 HG2 MET 57 73.667 3.671 -16.290 445 HG3 MET 57 HG1 MET 57 75.425 3.723 -16.426 446 HE1 MET 57 HE1 MET 57 76.802 1.961 -17.793 447 HE2 MET 57 HE2 MET 57 76.477 3.509 -18.570 448 HE3 MET 57 HE3 MET 57 76.371 2.020 -19.507 449 H GLU 58 HN GLU 58 73.258 3.970 -12.191 450 HA GLU 58 HA GLU 58 70.739 4.334 -13.693 451 HB2 GLU 58 HB2 GLU 58 70.531 2.155 -12.441 452 HB3 GLU 58 HB1 GLU 58 70.753 3.054 -10.941 453 HG2 GLU 58 HG2 GLU 58 68.360 2.743 -11.368 454 HG3 GLU 58 HG1 GLU 58 68.773 4.452 -11.517 455 H GLY 59 HN GLY 59 73.021 5.269 -11.333 456 HA2 GLY 59 HA2 GLY 59 73.169 7.660 -10.753 457 HA3 GLY 59 HA1 GLY 59 71.405 7.716 -10.753 458 H1U RCY 60 H1U RCY 60 67.864 6.774 -1.409 459 H1S RCY 60 H1S RCY 60 71.043 6.733 -3.911 460 HB1 RCY 60 HB1 RCY 60 70.018 5.911 -5.602 461 HB2 RCY 60 HB2 RCY 60 69.697 6.759 -7.113 462 HA RCY 60 HA RCY 60 72.393 5.515 -6.767 463 HN1 RCY 60 HN1 RCY 60 70.891 5.355 -9.277 464 H GLY 61 HN GLY 61 70.200 3.994 -8.916 465 HA2 GLY 61 HA2 GLY 61 68.899 2.059 -7.381 466 HA3 GLY 61 HA1 GLY 61 69.533 1.731 -8.996 467 H THR 62 HN THR 62 72.195 1.771 -8.758 468 HA THR 62 HA THR 62 73.971 0.368 -8.126 469 HB THR 62 HB THR 62 73.999 0.150 -5.471 470 HG1 THR 62 HG1 THR 62 72.422 1.154 -4.552 471 HG21 THR 62 HG21 THR 62 74.387 2.638 -7.137 472 HG22 THR 62 HG22 THR 62 75.613 1.505 -6.566 473 HG23 THR 62 HG23 THR 62 74.810 2.585 -5.426 474 H ASP 63 HN ASP 63 72.854 -1.487 -9.170 475 HA ASP 63 HA ASP 63 71.172 -3.273 -7.673 476 HB2 ASP 63 HB2 ASP 63 72.957 -3.781 -10.073 477 HB3 ASP 63 HB1 ASP 63 71.779 -4.934 -9.445 478 H ILE 64 HN ILE 64 74.681 -3.237 -8.315 479 HA ILE 64 HA ILE 64 75.000 -5.224 -6.091 480 HB ILE 64 HB ILE 64 76.949 -4.778 -8.363 481 HG12 ILE 64 HG12 ILE 64 74.834 -6.940 -8.093 482 HG13 ILE 64 HG11 ILE 64 74.751 -5.586 -9.221 483 HG21 ILE 64 HG21 ILE 64 76.596 -7.157 -6.526 484 HG22 ILE 64 HG22 ILE 64 77.685 -5.820 -6.155 485 HG23 ILE 64 HG23 ILE 64 77.959 -6.808 -7.590 486 HD11 ILE 64 HD11 ILE 64 75.643 -7.394 -10.487 487 HD12 ILE 64 HD12 ILE 64 76.742 -7.860 -9.188 488 HD13 ILE 64 HD13 ILE 64 77.028 -6.375 -10.097 489 H THR 65 HN THR 65 77.160 -3.016 -7.849 490 HA THR 65 HA THR 65 78.425 -1.209 -7.066 491 HB THR 65 HB THR 65 77.455 -1.506 -4.256 492 HG1 THR 65 HG1 THR 65 75.851 -0.399 -6.307 493 HG21 THR 65 HG21 THR 65 77.819 0.832 -6.152 494 HG22 THR 65 HG22 THR 65 78.950 0.332 -4.894 495 HG23 THR 65 HG23 THR 65 77.363 0.963 -4.453 496 H VAL 66 HN VAL 66 79.856 -3.256 -7.418 497 HA VAL 66 HA VAL 66 81.839 -4.293 -6.775 498 HB VAL 66 HB VAL 66 81.632 -2.780 -4.165 499 HG11 VAL 66 HG11 VAL 66 83.725 -4.278 -5.660 500 HG12 VAL 66 HG12 VAL 66 83.496 -4.099 -3.921 501 HG13 VAL 66 HG13 VAL 66 84.240 -2.798 -4.851 502 HG21 VAL 66 HG21 VAL 66 82.409 -1.859 -6.928 503 HG22 VAL 66 HG22 VAL 66 83.134 -1.117 -5.502 504 HG23 VAL 66 HG23 VAL 66 81.388 -1.047 -5.741 505 H ILE 67 HN ILE 67 80.291 -3.991 -3.563 506 HA ILE 67 HA ILE 67 79.966 -6.957 -3.604 507 HB ILE 67 HB ILE 67 81.381 -5.294 -1.512 508 HG12 ILE 67 HG12 ILE 67 82.705 -6.161 -3.431 509 HG13 ILE 67 HG11 ILE 67 83.186 -6.913 -1.910 510 HG21 ILE 67 HG21 ILE 67 79.788 -7.739 -1.220 511 HG22 ILE 67 HG22 ILE 67 80.427 -6.661 0.022 512 HG23 ILE 67 HG23 ILE 67 81.448 -7.929 -0.657 513 HD11 ILE 67 HD11 ILE 67 81.248 -8.638 -2.669 514 HD12 ILE 67 HD12 ILE 67 82.940 -8.839 -3.126 515 HD13 ILE 67 HD13 ILE 67 81.803 -8.102 -4.255 516 H1U RCY 68 H1U RCY 68 70.140 -2.835 -6.576 517 H1S RCY 68 H1S RCY 68 73.568 -4.038 -4.117 518 HB1 RCY 68 HB1 RCY 68 75.069 -7.504 -3.456 519 HB2 RCY 68 HB2 RCY 68 75.634 -5.953 -4.064 520 HA RCY 68 HA RCY 68 76.276 -5.521 -1.546 521 HN1 RCY 68 HN1 RCY 68 77.837 -7.183 -3.472 522 HA PRO 69 HA PRO 69 76.046 -8.499 1.717 523 HB2 PRO 69 HB2 PRO 69 73.119 -8.434 1.021 524 HB3 PRO 69 HB1 PRO 69 73.886 -8.481 2.623 525 HG2 PRO 69 HG2 PRO 69 73.028 -6.192 1.541 526 HG3 PRO 69 HG1 PRO 69 74.494 -6.259 2.532 527 HD2 PRO 69 HD2 PRO 69 74.246 -5.777 -0.365 528 HD3 PRO 69 HD1 PRO 69 75.633 -5.481 0.707 529 H TRP 70 HN TRP 70 74.039 -9.376 -1.175 530 HA TRP 70 HA TRP 70 74.019 -12.161 -0.497 531 HD1 TRP 70 HD1 TRP 70 75.872 -10.484 -3.506 532 HE1 TRP 70 HE1 TRP 70 75.535 -8.491 -5.104 533 HE3 TRP 70 HE3 TRP 70 70.775 -10.178 -3.469 534 HZ2 TRP 70 HZ2 TRP 70 73.384 -6.965 -6.222 535 HZ3 TRP 70 HZ3 TRP 70 69.610 -8.450 -4.805 536 HH2 TRP 70 HH2 TRP 70 70.904 -6.845 -6.180 537 HB2 TRP 70 HB2 TRP 70 73.584 -12.523 -2.987 538 HB3 TRP 70 HB1 TRP 70 72.421 -11.532 -2.120 539 H GLU 71 HN GLU 71 76.611 -10.341 -0.938 540 HA GLU 71 HA GLU 71 78.337 -12.634 -1.501 541 HB2 GLU 71 HB2 GLU 71 78.095 -10.307 -3.420 542 HB3 GLU 71 HB1 GLU 71 79.599 -11.213 -3.276 543 HG2 GLU 71 HG2 GLU 71 78.173 -13.322 -3.632 544 HG3 GLU 71 HG1 GLU 71 76.889 -12.229 -4.148 545 H ALA 72 HN ALA 72 78.338 -11.617 0.847 546 HA ALA 72 HA ALA 72 79.563 -9.149 1.417 547 HB1 ALA 72 HB1 ALA 72 80.270 -10.256 3.577 548 HB2 ALA 72 HB2 ALA 72 79.660 -11.775 2.920 549 HB3 ALA 72 HB3 ALA 72 78.557 -10.426 3.193 550 H1U RCY 73 H1U RCY 73 79.600 -4.458 1.437 551 H1S RCY 73 H1S RCY 73 82.059 -7.831 2.289 552 HB1 RCY 73 HB1 RCY 73 83.470 -7.318 0.359 553 HB2 RCY 73 HB2 RCY 73 85.093 -7.992 0.495 554 HA RCY 73 HA RCY 73 83.674 -9.852 0.018 555 HN1 RCY 73 HN1 RCY 73 81.664 -8.446 1.542 556 H ASN 74 HN ASN 74 83.174 -9.271 3.494 557 HA ASN 74 HA ASN 74 84.409 -11.768 4.230 558 HB2 ASN 74 HB2 ASN 74 86.083 -9.285 4.227 559 HB3 ASN 74 HB1 ASN 74 86.277 -10.404 5.576 560 HD21 ASN 74 HD21 ASN 74 87.574 -9.731 2.603 561 HD22 ASN 74 HD22 ASN 74 88.112 -11.281 2.166 562 H HIS 75 HN HIS 75 82.168 -11.446 5.203 563 HA HIS 75 HA HIS 75 80.860 -11.116 7.121 564 HD1 HIS 75 HD1 HIS 75 82.371 -9.752 10.829 565 HD2 HIS 75 HD2 HIS 75 80.391 -12.965 9.052 566 HE1 HIS 75 HE1 HIS 75 80.627 -10.528 12.495 567 HE2 HIS 75 HE2 HIS 75 79.415 -12.483 11.425 568 HB2 HIS 75 HB2 HIS 75 83.123 -11.986 8.112 569 HB3 HIS 75 HB1 HIS 75 83.354 -10.312 8.612 570 H1U RCY 76 H1U RCY 76 79.489 -4.225 2.274 571 H1S RCY 76 H1S RCY 76 79.201 -4.643 6.726 572 HB1 RCY 76 HB1 RCY 76 79.841 -5.857 9.323 573 HB2 RCY 76 HB2 RCY 76 79.575 -7.593 9.489 574 HA RCY 76 HA RCY 76 81.777 -6.545 7.717 575 HN1 RCY 76 HN1 RCY 76 81.958 -9.083 9.197 576 H GLU 77 HN GLU 77 83.794 -7.754 9.355 577 HA GLU 77 HA GLU 77 83.700 -6.665 12.036 578 HB2 GLU 77 HB2 GLU 77 85.133 -8.616 11.266 579 HB3 GLU 77 HB1 GLU 77 86.177 -7.434 10.474 580 HG2 GLU 77 HG2 GLU 77 86.389 -6.263 12.703 581 HG3 GLU 77 HG1 GLU 77 85.550 -7.633 13.430 582 H LEU 78 HN LEU 78 84.007 -4.568 12.581 583 HA LEU 78 HA LEU 78 85.984 -2.926 11.183 584 HG LEU 78 HG LEU 78 85.461 -2.190 9.055 585 HB2 LEU 78 HB2 LEU 78 83.358 -2.905 10.201 586 HB3 LEU 78 HB1 LEU 78 83.451 -1.462 11.207 587 HD11 LEU 78 HD11 LEU 78 84.421 -0.511 7.686 588 HD12 LEU 78 HD12 LEU 78 83.373 0.003 9.007 589 HD13 LEU 78 HD13 LEU 78 83.130 -1.572 8.251 590 HD21 LEU 78 HD21 LEU 78 86.601 -0.821 10.580 591 HD22 LEU 78 HD22 LEU 78 85.147 0.084 11.001 592 HD23 LEU 78 HD23 LEU 78 85.938 0.360 9.449 593 H HIS 79 HN HIS 79 83.033 -2.271 13.099 594 HA HIS 79 HA HIS 79 84.784 -0.985 15.164 595 HD1 HIS 79 HD1 HIS 79 83.962 1.588 16.724 596 HD2 HIS 79 HD2 HIS 79 83.910 1.608 12.553 597 HE1 HIS 79 HE1 HIS 79 85.261 3.639 16.002 598 HE2 HIS 79 HE2 HIS 79 85.236 3.663 13.465 599 HB2 HIS 79 HB2 HIS 79 82.218 -0.216 13.915 600 HB3 HIS 79 HB1 HIS 79 82.229 -0.067 15.670 601 H GLU 80 HN GLU 80 84.150 -3.836 14.989 602 HA GLU 80 HA GLU 80 83.572 -5.555 16.471 603 HB2 GLU 80 HB2 GLU 80 82.841 -3.442 18.502 604 HB3 GLU 80 HB1 GLU 80 83.419 -5.082 18.786 605 HG2 GLU 80 HG2 GLU 80 85.556 -4.328 17.527 606 HG3 GLU 80 HG1 GLU 80 84.974 -2.687 17.813 607 H LEU 81 HN LEU 81 81.341 -2.778 16.435 608 HA LEU 81 HA LEU 81 79.056 -4.647 16.795 609 HG LEU 81 HG LEU 81 78.262 -1.970 19.090 610 HB2 LEU 81 HB2 LEU 81 79.390 -1.658 16.952 611 HB3 LEU 81 HB1 LEU 81 77.790 -2.336 16.656 612 HD11 LEU 81 HD11 LEU 81 77.078 -3.849 19.676 613 HD12 LEU 81 HD12 LEU 81 78.155 -4.930 18.794 614 HD13 LEU 81 HD13 LEU 81 76.931 -4.004 17.926 615 HD21 LEU 81 HD21 LEU 81 80.233 -4.248 18.782 616 HD22 LEU 81 HD22 LEU 81 79.934 -3.266 20.215 617 HD23 LEU 81 HD23 LEU 81 80.734 -2.558 18.812 618 H ALA 82 HN ALA 82 80.914 -3.342 14.347 619 HA ALA 82 HA ALA 82 79.039 -2.593 12.365 620 HB1 ALA 82 HB1 ALA 82 80.836 -3.407 10.745 621 HB2 ALA 82 HB2 ALA 82 81.756 -3.906 12.166 622 HB3 ALA 82 HB3 ALA 82 81.355 -2.204 11.927 623 H GLN 83 HN GLN 83 79.606 -5.663 13.783 624 HA GLN 83 HA GLN 83 79.088 -7.520 11.774 625 HB2 GLN 83 HB2 GLN 83 77.698 -8.723 13.638 626 HB3 GLN 83 HB1 GLN 83 79.419 -8.444 13.910 627 HG2 GLN 83 HG2 GLN 83 78.958 -6.483 15.247 628 HG3 GLN 83 HG1 GLN 83 77.242 -6.553 14.843 629 HE21 GLN 83 HE21 GLN 83 77.146 -6.643 17.369 630 HE22 GLN 83 HE22 GLN 83 77.211 -8.186 18.074 631 H TYR 84 HN TYR 84 77.030 -5.021 12.938 632 HA TYR 84 HA TYR 84 74.921 -5.896 11.035 633 HD1 TYR 84 HD1 TYR 84 73.723 -7.853 11.485 634 HD2 TYR 84 HD2 TYR 84 74.871 -6.659 15.448 635 HE1 TYR 84 HE1 TYR 84 73.947 -10.235 12.138 636 HE2 TYR 84 HE2 TYR 84 75.096 -9.041 16.101 637 HH TYR 84 HH TYR 84 74.045 -11.629 13.996 638 HB2 TYR 84 HB2 TYR 84 74.338 -5.022 13.884 639 HB3 TYR 84 HB1 TYR 84 73.146 -5.470 12.665 640 H GLY 85 HN GLY 85 76.288 -3.380 13.119 641 HA2 GLY 85 HA2 GLY 85 76.176 -1.034 12.963 642 HA3 GLY 85 HA1 GLY 85 76.360 -1.338 11.235 643 H ILE 86 HN ILE 86 73.584 -2.571 12.951 644 HA ILE 86 HA ILE 86 71.315 -2.269 12.296 645 HB ILE 86 HB ILE 86 70.505 -0.040 13.096 646 HG12 ILE 86 HG12 ILE 86 73.431 0.507 13.665 647 HG13 ILE 86 HG11 ILE 86 72.582 1.171 12.268 648 HG21 ILE 86 HG21 ILE 86 72.538 -1.476 14.830 649 HG22 ILE 86 HG22 ILE 86 70.815 -1.834 14.713 650 HG23 ILE 86 HG23 ILE 86 71.353 -0.319 15.436 651 HD11 ILE 86 HD11 ILE 86 71.721 1.558 15.150 652 HD12 ILE 86 HD12 ILE 86 70.975 2.289 13.729 653 HD13 ILE 86 HD13 ILE 86 72.611 2.748 14.201 654 H1U RCY 87 H1U RCY 87 75.748 1.506 1.651 655 H1S RCY 87 H1S RCY 87 74.355 0.841 5.603 656 HB1 RCY 87 HB1 RCY 87 73.366 -2.458 7.704 657 HB2 RCY 87 HB2 RCY 87 74.347 -1.004 7.852 658 HA RCY 87 HA RCY 87 72.425 0.312 8.485 659 HN1 RCY 87 HN1 RCY 87 73.030 -2.058 10.021 Start of MODEL 62 1 HA MET 1 HA MET 1 75.897 -13.570 25.330 2 HB2 MET 1 HB2 MET 1 74.609 -15.815 25.438 3 HB3 MET 1 HB1 MET 1 76.332 -15.844 25.813 4 HG2 MET 1 HG2 MET 1 74.280 -15.460 27.989 5 HG3 MET 1 HG1 MET 1 74.725 -17.074 27.435 6 HE1 MET 1 HE1 MET 1 76.483 -16.204 30.933 7 HE2 MET 1 HE2 MET 1 75.217 -17.156 30.162 8 HE3 MET 1 HE3 MET 1 75.032 -15.410 30.308 9 H ASN 2 HN ASN 2 73.819 -13.508 24.226 10 HA ASN 2 HA ASN 2 71.306 -13.422 25.585 11 HB2 ASN 2 HB2 ASN 2 70.977 -10.878 25.259 12 HB3 ASN 2 HB1 ASN 2 71.938 -11.398 26.644 13 HD21 ASN 2 HD21 ASN 2 74.173 -10.828 26.683 14 HD22 ASN 2 HD22 ASN 2 74.918 -9.908 25.467 15 H LEU 3 HN LEU 3 73.267 -12.270 22.876 16 HA LEU 3 HA LEU 3 70.927 -12.070 21.109 17 HG LEU 3 HG LEU 3 71.691 -12.023 18.698 18 HB2 LEU 3 HB2 LEU 3 73.056 -10.623 20.975 19 HB3 LEU 3 HB1 LEU 3 73.827 -12.038 20.259 20 HD11 LEU 3 HD11 LEU 3 71.920 -9.141 19.620 21 HD12 LEU 3 HD12 LEU 3 70.536 -10.207 19.864 22 HD13 LEU 3 HD13 LEU 3 70.969 -9.683 18.236 23 HD21 LEU 3 HD21 LEU 3 74.097 -10.196 18.513 24 HD22 LEU 3 HD22 LEU 3 72.958 -10.394 17.181 25 HD23 LEU 3 HD23 LEU 3 73.879 -11.779 17.767 26 H GLU 4 HN GLU 4 70.174 -14.292 21.255 27 HA GLU 4 HA GLU 4 71.896 -16.498 20.504 28 HB2 GLU 4 HB2 GLU 4 69.576 -17.655 20.209 29 HB3 GLU 4 HB1 GLU 4 70.054 -17.136 21.826 30 HG2 GLU 4 HG2 GLU 4 68.683 -15.194 21.723 31 HG3 GLU 4 HG1 GLU 4 68.456 -15.354 19.981 32 HA PRO 5 HA PRO 5 72.152 -16.491 16.103 33 HB2 PRO 5 HB2 PRO 5 70.485 -18.984 16.281 34 HB3 PRO 5 HB1 PRO 5 71.947 -18.676 15.321 35 HG2 PRO 5 HG2 PRO 5 71.999 -20.029 17.646 36 HG3 PRO 5 HG1 PRO 5 73.345 -19.022 17.093 37 HD2 PRO 5 HD2 PRO 5 71.522 -18.574 19.351 38 HD3 PRO 5 HD1 PRO 5 73.060 -17.766 18.977 39 HA PRO 6 HA PRO 6 67.877 -14.928 15.504 40 HB2 PRO 6 HB2 PRO 6 68.519 -12.549 14.406 41 HB3 PRO 6 HB1 PRO 6 68.653 -12.834 16.152 42 HG2 PRO 6 HG2 PRO 6 70.781 -12.720 14.093 43 HG3 PRO 6 HG1 PRO 6 70.817 -12.211 15.788 44 HD2 PRO 6 HD2 PRO 6 71.844 -14.633 14.770 45 HD3 PRO 6 HD1 PRO 6 71.557 -14.258 16.483 46 H LYS 7 HN LYS 7 66.607 -14.759 13.571 47 HA LYS 7 HA LYS 7 67.880 -15.932 11.187 48 HB2 LYS 7 HB2 LYS 7 65.414 -15.656 10.329 49 HB3 LYS 7 HB1 LYS 7 65.768 -16.878 11.552 50 HG2 LYS 7 HG2 LYS 7 64.884 -15.561 13.299 51 HG3 LYS 7 HG1 LYS 7 64.967 -14.080 12.344 52 HD2 LYS 7 HD2 LYS 7 62.638 -14.986 12.566 53 HD3 LYS 7 HD1 LYS 7 63.179 -14.851 10.892 54 HE2 LYS 7 HE2 LYS 7 62.027 -17.056 11.592 55 HE3 LYS 7 HE1 LYS 7 63.543 -17.180 10.699 56 HZ1 LYS 7 HZ1 LYS 7 64.625 -17.984 12.476 57 HZ2 LYS 7 HZ2 LYS 7 63.073 -18.417 13.014 58 HZ3 LYS 7 HZ3 LYS 7 63.804 -16.991 13.579 59 H ALA 8 HN ALA 8 68.931 -14.532 9.851 60 HA ALA 8 HA ALA 8 67.519 -12.334 8.618 61 HB1 ALA 8 HB1 ALA 8 69.186 -10.575 9.460 62 HB2 ALA 8 HB2 ALA 8 69.590 -11.724 10.736 63 HB3 ALA 8 HB3 ALA 8 67.949 -11.091 10.607 64 H GLU 9 HN GLU 9 69.535 -14.737 8.343 65 HA GLU 9 HA GLU 9 71.795 -13.503 6.961 66 HB2 GLU 9 HB2 GLU 9 71.777 -15.782 8.167 67 HB3 GLU 9 HB1 GLU 9 70.945 -16.395 6.738 68 HG2 GLU 9 HG2 GLU 9 73.266 -16.790 6.347 69 HG3 GLU 9 HG1 GLU 9 72.852 -15.384 5.366 70 H1U RCY 10 H1U RCY 10 65.747 -12.025 3.438 71 H1S RCY 10 H1S RCY 10 67.942 -14.351 0.862 72 HB1 RCY 10 HB1 RCY 10 70.507 -16.695 3.121 73 HB2 RCY 10 HB2 RCY 10 70.860 -15.082 2.502 74 HA RCY 10 HA RCY 10 68.847 -14.184 3.413 75 HN1 RCY 10 HN1 RCY 10 69.530 -15.946 5.674 76 H ARG 11 HN ARG 11 68.775 -17.639 4.372 77 HA ARG 11 HA ARG 11 66.419 -18.423 3.132 78 HE ARG 11 HE ARG 11 67.826 -19.175 1.812 79 HB2 ARG 11 HB2 ARG 11 67.507 -19.142 5.861 80 HB3 ARG 11 HB1 ARG 11 66.079 -19.924 5.183 81 HG2 ARG 11 HG2 ARG 11 68.759 -19.793 3.772 82 HG3 ARG 11 HG1 ARG 11 68.221 -21.169 4.735 83 HD2 ARG 11 HD2 ARG 11 67.379 -21.910 2.749 84 HD3 ARG 11 HD1 ARG 11 66.053 -20.809 3.125 85 HH11 ARG 11 HH21 ARG 11 66.474 -22.288 1.203 86 HH12 ARG 11 HH22 ARG 11 66.518 -22.117 -0.520 87 HH21 ARG 11 HH11 ARG 11 67.891 -18.934 -0.434 88 HH22 ARG 11 HH12 ARG 11 67.321 -20.218 -1.447 89 H SER 12 HN SER 12 66.419 -17.439 6.576 90 HA SER 12 HA SER 12 64.666 -16.506 7.843 91 HG SER 12 HG SER 12 65.429 -14.182 4.806 92 HB2 SER 12 HB2 SER 12 63.650 -14.462 6.664 93 HB3 SER 12 HB1 SER 12 65.396 -14.453 6.890 94 H ALA 13 HN ALA 13 62.627 -15.349 5.448 95 HA ALA 13 HA ALA 13 61.171 -17.727 4.749 96 HB1 ALA 13 HB1 ALA 13 60.585 -17.830 7.098 97 HB2 ALA 13 HB2 ALA 13 59.166 -17.281 6.206 98 HB3 ALA 13 HB3 ALA 13 60.144 -16.122 7.107 99 H THR 14 HN THR 14 61.651 -16.122 2.892 100 HA THR 14 HA THR 14 60.887 -14.539 1.343 101 HB THR 14 HB THR 14 58.295 -14.351 1.341 102 HG1 THR 14 HG1 THR 14 58.099 -15.033 3.530 103 HG21 THR 14 HG21 THR 14 59.385 -15.778 -0.242 104 HG22 THR 14 HG22 THR 14 58.124 -16.752 0.514 105 HG23 THR 14 HG23 THR 14 59.806 -16.950 1.006 106 H ARG 15 HN ARG 15 61.502 -12.474 1.756 107 HA ARG 15 HA ARG 15 60.802 -11.063 4.168 108 HE ARG 15 HE ARG 15 61.936 -8.388 6.549 109 HB2 ARG 15 HB2 ARG 15 62.831 -10.617 2.710 110 HB3 ARG 15 HB1 ARG 15 61.743 -9.844 1.559 111 HG2 ARG 15 HG2 ARG 15 62.380 -8.004 2.823 112 HG3 ARG 15 HG1 ARG 15 60.942 -8.514 3.709 113 HD2 ARG 15 HD2 ARG 15 62.656 -10.025 5.026 114 HD3 ARG 15 HD1 ARG 15 63.833 -8.851 4.438 115 HH11 ARG 15 HH21 ARG 15 63.429 -6.977 3.781 116 HH12 ARG 15 HH22 ARG 15 63.300 -5.355 4.372 117 HH21 ARG 15 HH11 ARG 15 61.758 -6.277 7.338 118 HH22 ARG 15 HH12 ARG 15 62.354 -4.958 6.387 119 H VAL 16 HN VAL 16 58.375 -11.827 3.485 120 HA VAL 16 HA VAL 16 56.213 -11.113 2.927 121 HB VAL 16 HB VAL 16 57.532 -8.399 3.238 122 HG11 VAL 16 HG11 VAL 16 54.648 -9.300 3.106 123 HG12 VAL 16 HG12 VAL 16 55.447 -8.069 2.127 124 HG13 VAL 16 HG13 VAL 16 55.121 -7.765 3.834 125 HG21 VAL 16 HG21 VAL 16 56.838 -8.507 5.533 126 HG22 VAL 16 HG22 VAL 16 57.650 -10.035 5.192 127 HG23 VAL 16 HG23 VAL 16 55.889 -9.965 5.244 128 H MET 17 HN MET 17 57.992 -8.433 1.394 129 HA MET 17 HA MET 17 58.040 -7.731 -0.840 130 HB2 MET 17 HB2 MET 17 57.459 -10.608 -1.572 131 HB3 MET 17 HB1 MET 17 58.344 -9.405 -2.509 132 HG2 MET 17 HG2 MET 17 59.226 -10.635 0.119 133 HG3 MET 17 HG1 MET 17 59.930 -10.945 -1.468 134 HE1 MET 17 HE1 MET 17 62.224 -10.464 -0.691 135 HE2 MET 17 HE2 MET 17 62.879 -8.881 -1.104 136 HE3 MET 17 HE3 MET 17 61.944 -9.781 -2.297 137 H GLY 18 HN GLY 18 56.607 -7.513 -2.793 138 HA2 GLY 18 HA2 GLY 18 54.373 -7.961 -3.786 139 HA3 GLY 18 HA1 GLY 18 53.751 -8.127 -2.143 140 H GLY 19 HN GLY 19 52.226 -6.414 -3.149 141 HA2 GLY 19 HA2 GLY 19 51.480 -4.194 -2.774 142 HA3 GLY 19 HA1 GLY 19 53.080 -3.796 -2.146 143 HA PRO 20 HA PRO 20 52.147 -2.974 -7.017 144 HB2 PRO 20 HB2 PRO 20 51.520 -0.279 -5.851 145 HB3 PRO 20 HB1 PRO 20 50.877 -1.049 -7.315 146 HG2 PRO 20 HG2 PRO 20 49.481 -0.960 -5.037 147 HG3 PRO 20 HG1 PRO 20 49.385 -2.339 -6.143 148 HD2 PRO 20 HD2 PRO 20 50.653 -2.177 -3.470 149 HD3 PRO 20 HD1 PRO 20 50.085 -3.604 -4.364 150 H1U RCY 21 H1U RCY 21 62.569 0.107 -3.653 151 H1S RCY 21 H1S RCY 21 59.002 -0.949 -5.462 152 HB1 RCY 21 HB1 RCY 21 56.598 -3.434 -6.979 153 HB2 RCY 21 HB2 RCY 21 56.876 -2.313 -5.646 154 HA RCY 21 HA RCY 21 55.879 -0.513 -6.787 155 HN1 RCY 21 HN1 RCY 21 54.188 -2.740 -7.823 156 H THR 22 HN THR 22 55.620 0.693 -8.681 157 HA THR 22 HA THR 22 56.549 -0.607 -11.217 158 HB THR 22 HB THR 22 54.206 0.145 -11.322 159 HG1 THR 22 HG1 THR 22 56.240 1.203 -12.825 160 HG21 THR 22 HG21 THR 22 54.964 3.006 -11.121 161 HG22 THR 22 HG22 THR 22 54.941 2.105 -9.605 162 HG23 THR 22 HG23 THR 22 53.488 2.191 -10.602 163 HA PRO 23 HA PRO 23 59.705 2.587 -10.356 164 HB2 PRO 23 HB2 PRO 23 61.857 1.178 -11.171 165 HB3 PRO 23 HB1 PRO 23 61.081 0.871 -9.605 166 HG2 PRO 23 HG2 PRO 23 60.912 -0.679 -12.127 167 HG3 PRO 23 HG1 PRO 23 60.906 -1.243 -10.449 168 HD2 PRO 23 HD2 PRO 23 58.634 -0.920 -12.077 169 HD3 PRO 23 HD1 PRO 23 58.628 -1.114 -10.311 170 H ARG 24 HN ARG 24 61.475 3.515 -11.884 171 HA ARG 24 HA ARG 24 60.287 4.277 -14.364 172 HE ARG 24 HE ARG 24 60.883 7.694 -16.657 173 HB2 ARG 24 HB2 ARG 24 62.062 5.559 -13.133 174 HB3 ARG 24 HB1 ARG 24 63.231 4.346 -13.640 175 HG2 ARG 24 HG2 ARG 24 63.483 5.423 -15.603 176 HG3 ARG 24 HG1 ARG 24 61.778 5.143 -15.960 177 HD2 ARG 24 HD2 ARG 24 62.127 7.283 -14.015 178 HD3 ARG 24 HD1 ARG 24 62.982 7.625 -15.519 179 HH11 ARG 24 HH21 ARG 24 60.658 6.647 -13.380 180 HH12 ARG 24 HH22 ARG 24 58.933 6.792 -13.312 181 HH21 ARG 24 HH11 ARG 24 58.632 7.890 -16.588 182 HH22 ARG 24 HH12 ARG 24 57.786 7.496 -15.129 183 H LYS 25 HN LYS 25 63.386 3.500 -15.260 184 HA LYS 25 HA LYS 25 62.483 0.965 -16.585 185 HB2 LYS 25 HB2 LYS 25 63.839 3.387 -17.617 186 HB3 LYS 25 HB1 LYS 25 64.557 1.866 -18.145 187 HG2 LYS 25 HG2 LYS 25 62.789 2.618 -19.708 188 HG3 LYS 25 HG1 LYS 25 62.360 1.089 -18.939 189 HD2 LYS 25 HD2 LYS 25 60.743 2.070 -17.578 190 HD3 LYS 25 HD1 LYS 25 61.491 3.665 -17.666 191 HE2 LYS 25 HE2 LYS 25 60.398 2.402 -20.163 192 HE3 LYS 25 HE1 LYS 25 59.299 3.194 -19.034 193 HZ1 LYS 25 HZ1 LYS 25 59.888 5.104 -19.956 194 HZ2 LYS 25 HZ2 LYS 25 61.091 4.358 -20.894 195 HZ3 LYS 25 HZ3 LYS 25 61.448 4.896 -19.323 196 H GLY 26 HN GLY 26 63.338 -0.315 -14.852 197 HA2 GLY 26 HA2 GLY 26 65.015 -1.570 -13.798 198 HA3 GLY 26 HA1 GLY 26 66.040 -1.159 -15.174 199 HA PRO 27 HA PRO 27 67.048 1.044 -10.893 200 HB2 PRO 27 HB2 PRO 27 69.511 -0.592 -11.369 201 HB3 PRO 27 HB1 PRO 27 68.722 -0.163 -9.838 202 HG2 PRO 27 HG2 PRO 27 68.476 -2.593 -10.931 203 HG3 PRO 27 HG1 PRO 27 67.168 -1.832 -10.014 204 HD2 PRO 27 HD2 PRO 27 67.370 -2.309 -12.935 205 HD3 PRO 27 HD1 PRO 27 65.925 -2.088 -11.925 206 HA PRO 28 HA PRO 28 69.200 4.301 -13.006 207 HB2 PRO 28 HB2 PRO 28 71.249 4.102 -10.827 208 HB3 PRO 28 HB1 PRO 28 70.397 5.531 -11.445 209 HG2 PRO 28 HG2 PRO 28 69.720 4.364 -9.135 210 HG3 PRO 28 HG1 PRO 28 68.523 5.123 -10.197 211 HD2 PRO 28 HD2 PRO 28 68.976 2.244 -9.650 212 HD3 PRO 28 HD1 PRO 28 67.513 3.065 -10.235 213 H LYS 29 HN LYS 29 70.568 4.140 -14.751 214 HA LYS 29 HA LYS 29 72.098 1.861 -15.350 215 HB2 LYS 29 HB2 LYS 29 73.461 3.919 -16.655 216 HB3 LYS 29 HB1 LYS 29 72.078 3.033 -17.292 217 HG2 LYS 29 HG2 LYS 29 71.667 5.391 -15.462 218 HG3 LYS 29 HG1 LYS 29 71.934 5.631 -17.189 219 HD2 LYS 29 HD2 LYS 29 69.898 3.612 -16.323 220 HD3 LYS 29 HD1 LYS 29 69.478 5.324 -16.240 221 HE2 LYS 29 HE2 LYS 29 69.736 5.628 -18.559 222 HE3 LYS 29 HE1 LYS 29 70.708 4.167 -18.735 223 HZ1 LYS 29 HZ1 LYS 29 67.832 4.219 -17.998 224 HZ2 LYS 29 HZ2 LYS 29 68.779 2.833 -18.260 225 HZ3 LYS 29 HZ3 LYS 29 68.430 3.883 -19.549 226 H1U RCY 30 H1U RCY 30 77.680 5.636 -9.951 227 H1S RCY 30 H1S RCY 30 75.982 1.737 -11.846 228 HB1 RCY 30 HB1 RCY 30 77.773 1.771 -14.917 229 HB2 RCY 30 HB2 RCY 30 76.354 0.788 -15.274 230 HA RCY 30 HA RCY 30 75.751 2.445 -13.015 231 HN1 RCY 30 HN1 RCY 30 74.599 1.936 -15.655 232 H LYS 31 HN LYS 31 77.020 3.315 -16.230 233 HA LYS 31 HA LYS 31 78.218 5.217 -16.910 234 HB2 LYS 31 HB2 LYS 31 76.003 6.256 -15.175 235 HB3 LYS 31 HB1 LYS 31 77.251 7.382 -15.708 236 HG2 LYS 31 HG2 LYS 31 76.728 7.091 -17.975 237 HG3 LYS 31 HG1 LYS 31 75.932 5.543 -17.692 238 HD2 LYS 31 HD2 LYS 31 74.117 6.714 -16.474 239 HD3 LYS 31 HD1 LYS 31 74.900 8.258 -16.816 240 HE2 LYS 31 HE2 LYS 31 73.592 6.346 -18.744 241 HE3 LYS 31 HE1 LYS 31 73.303 8.073 -18.538 242 HZ1 LYS 31 HZ1 LYS 31 75.782 6.838 -19.610 243 HZ2 LYS 31 HZ2 LYS 31 75.530 8.503 -19.385 244 HZ3 LYS 31 HZ3 LYS 31 74.600 7.645 -20.520 245 H GLN 32 HN GLN 32 80.264 4.762 -16.055 246 HA GLN 32 HA GLN 32 81.123 6.473 -13.858 247 HB2 GLN 32 HB2 GLN 32 82.125 4.350 -12.662 248 HB3 GLN 32 HB1 GLN 32 80.450 4.803 -12.369 249 HG2 GLN 32 HG2 GLN 32 80.775 2.355 -12.880 250 HG3 GLN 32 HG1 GLN 32 79.655 3.175 -13.969 251 HE21 GLN 32 HE21 GLN 32 82.942 1.831 -13.733 252 HE22 GLN 32 HE22 GLN 32 83.230 1.800 -15.405 253 H ARG 33 HN ARG 33 83.228 3.944 -13.789 254 HA ARG 33 HA ARG 33 85.346 3.632 -14.749 255 HE ARG 33 HE ARG 33 83.620 3.658 -18.694 256 HB2 ARG 33 HB2 ARG 33 83.699 3.043 -16.657 257 HB3 ARG 33 HB1 ARG 33 84.123 4.616 -17.327 258 HG2 ARG 33 HG2 ARG 33 86.461 4.008 -17.452 259 HG3 ARG 33 HG1 ARG 33 86.164 2.504 -16.578 260 HD2 ARG 33 HD2 ARG 33 86.290 2.583 -19.256 261 HD3 ARG 33 HD1 ARG 33 85.225 1.464 -18.405 262 HH11 ARG 33 HH21 ARG 33 85.701 1.910 -20.816 263 HH12 ARG 33 HH22 ARG 33 84.759 2.245 -22.231 264 HH21 ARG 33 HH11 ARG 33 82.378 4.105 -20.529 265 HH22 ARG 33 HH12 ARG 33 82.878 3.487 -22.068 266 H GLN 34 HN GLN 34 84.855 6.186 -13.541 267 HA GLN 34 HA GLN 34 87.042 7.686 -14.694 268 HB2 GLN 34 HB2 GLN 34 84.927 8.151 -16.178 269 HB3 GLN 34 HB1 GLN 34 84.420 9.162 -14.826 270 HG2 GLN 34 HG2 GLN 34 85.619 10.673 -16.163 271 HG3 GLN 34 HG1 GLN 34 86.831 10.159 -14.989 272 HE21 GLN 34 HE21 GLN 34 87.193 11.069 -17.863 273 HE22 GLN 34 HE22 GLN 34 88.033 9.802 -18.618 274 H THR 35 HN THR 35 85.780 6.639 -12.095 275 HA THR 35 HA THR 35 86.401 9.074 -10.521 276 HB THR 35 HB THR 35 84.385 9.071 -9.279 277 HG1 THR 35 HG1 THR 35 83.391 6.799 -10.567 278 HG21 THR 35 HG21 THR 35 84.138 9.946 -11.598 279 HG22 THR 35 HG22 THR 35 82.630 9.291 -10.961 280 HG23 THR 35 HG23 THR 35 83.582 8.354 -12.113 281 H ARG 36 HN ARG 36 84.828 6.067 -9.469 282 HA ARG 36 HA ARG 36 85.608 4.347 -8.084 283 HE ARG 36 HE ARG 36 87.732 1.642 -10.996 284 HB2 ARG 36 HB2 ARG 36 87.512 4.528 -9.932 285 HB3 ARG 36 HB1 ARG 36 88.456 5.145 -8.577 286 HG2 ARG 36 HG2 ARG 36 88.829 2.813 -8.504 287 HG3 ARG 36 HG1 ARG 36 87.581 3.076 -7.286 288 HD2 ARG 36 HD2 ARG 36 86.380 1.509 -8.388 289 HD3 ARG 36 HD1 ARG 36 86.125 2.739 -9.625 290 HH11 ARG 36 HH21 ARG 36 87.620 0.420 -7.774 291 HH12 ARG 36 HH22 ARG 36 88.602 -0.964 -8.123 292 HH21 ARG 36 HH11 ARG 36 89.016 -0.158 -11.470 293 HH22 ARG 36 HH12 ARG 36 89.393 -1.290 -10.215 294 H GLN 37 HN GLN 37 85.122 7.045 -7.031 295 HA GLN 37 HA GLN 37 86.336 6.698 -4.420 296 HB2 GLN 37 HB2 GLN 37 87.496 8.656 -6.358 297 HB3 GLN 37 HB1 GLN 37 87.296 9.210 -4.701 298 HG2 GLN 37 HG2 GLN 37 89.191 8.114 -4.155 299 HG3 GLN 37 HG1 GLN 37 88.375 6.596 -4.528 300 HE21 GLN 37 HE21 GLN 37 88.058 7.164 -7.405 301 HE22 GLN 37 HE22 GLN 37 89.605 7.058 -8.094 302 H1U RCY 38 H1U RCY 38 85.253 6.382 -0.152 303 H1S RCY 38 H1S RCY 38 81.716 7.469 -2.125 304 HB1 RCY 38 HB1 RCY 38 82.546 8.586 -5.452 305 HB2 RCY 38 HB2 RCY 38 81.630 10.081 -5.613 306 HA RCY 38 HA RCY 38 83.617 11.141 -5.790 307 HN1 RCY 38 HN1 RCY 38 85.483 9.739 -6.049 308 H LYS 39 HN LYS 39 82.147 11.879 -3.688 309 HA LYS 39 HA LYS 39 83.481 13.450 -2.026 310 HB2 LYS 39 HB2 LYS 39 80.977 12.487 -1.892 311 HB3 LYS 39 HB1 LYS 39 81.658 11.641 -0.504 312 HG2 LYS 39 HG2 LYS 39 80.916 13.655 0.445 313 HG3 LYS 39 HG1 LYS 39 82.623 13.982 0.140 314 HD2 LYS 39 HD2 LYS 39 81.744 14.819 -2.197 315 HD3 LYS 39 HD1 LYS 39 80.210 14.981 -1.340 316 HE2 LYS 39 HE2 LYS 39 82.804 16.161 -0.318 317 HE3 LYS 39 HE1 LYS 39 81.667 17.059 -1.324 318 HZ1 LYS 39 HZ1 LYS 39 81.567 16.654 1.430 319 HZ2 LYS 39 HZ2 LYS 39 80.260 15.804 0.756 320 HZ3 LYS 39 HZ3 LYS 39 80.441 17.466 0.455 321 H SER 40 HN SER 40 84.937 13.416 -0.376 322 HA SER 40 HA SER 40 86.331 10.877 0.132 323 HG SER 40 HG SER 40 87.558 14.471 -0.121 324 HB2 SER 40 HB2 SER 40 87.086 13.353 1.608 325 HB3 SER 40 HB1 SER 40 88.111 12.176 0.790 326 H LYS 41 HN LYS 41 86.392 9.808 2.107 327 HA LYS 41 HA LYS 41 84.634 10.883 4.281 328 HB2 LYS 41 HB2 LYS 41 84.995 7.933 4.099 329 HB3 LYS 41 HB1 LYS 41 83.556 8.863 4.505 330 HG2 LYS 41 HG2 LYS 41 84.685 8.722 1.701 331 HG3 LYS 41 HG1 LYS 41 83.439 7.622 2.292 332 HD2 LYS 41 HD2 LYS 41 83.074 10.592 2.582 333 HD3 LYS 41 HD1 LYS 41 82.714 9.807 1.044 334 HE2 LYS 41 HE2 LYS 41 81.273 8.169 2.351 335 HE3 LYS 41 HE1 LYS 41 81.470 9.233 3.743 336 HZ1 LYS 41 HZ1 LYS 41 79.500 9.504 2.014 337 HZ2 LYS 41 HZ2 LYS 41 80.656 10.476 1.237 338 HZ3 LYS 41 HZ3 LYS 41 80.180 10.827 2.830 339 HA PRO 42 HA PRO 42 88.039 10.003 6.970 340 HB2 PRO 42 HB2 PRO 42 86.803 8.635 9.103 341 HB3 PRO 42 HB1 PRO 42 86.895 10.390 8.897 342 HG2 PRO 42 HG2 PRO 42 84.602 8.723 8.737 343 HG3 PRO 42 HG1 PRO 42 84.702 10.472 8.507 344 HD2 PRO 42 HD2 PRO 42 84.468 8.349 6.482 345 HD3 PRO 42 HD1 PRO 42 84.175 10.094 6.320 346 HA PRO 43 HA PRO 43 89.807 5.985 6.521 347 HB2 PRO 43 HB2 PRO 43 91.287 5.700 8.823 348 HB3 PRO 43 HB1 PRO 43 91.756 6.755 7.476 349 HG2 PRO 43 HG2 PRO 43 90.452 7.456 10.056 350 HG3 PRO 43 HG1 PRO 43 91.705 8.321 9.150 351 HD2 PRO 43 HD2 PRO 43 89.078 9.071 9.111 352 HD3 PRO 43 HD1 PRO 43 90.174 9.338 7.738 353 H LYS 44 HN LYS 44 88.993 3.948 6.778 354 HA LYS 44 HA LYS 44 88.047 3.048 9.429 355 HB2 LYS 44 HB2 LYS 44 86.258 3.207 6.986 356 HB3 LYS 44 HB1 LYS 44 85.864 2.289 8.439 357 HG2 LYS 44 HG2 LYS 44 86.211 4.458 9.741 358 HG3 LYS 44 HG1 LYS 44 86.227 5.279 8.180 359 HD2 LYS 44 HD2 LYS 44 83.970 5.419 8.689 360 HD3 LYS 44 HD1 LYS 44 83.995 3.892 7.806 361 HE2 LYS 44 HE2 LYS 44 82.732 3.683 9.924 362 HE3 LYS 44 HE1 LYS 44 84.164 2.654 9.925 363 HZ1 LYS 44 HZ1 LYS 44 84.305 5.391 11.004 364 HZ2 LYS 44 HZ2 LYS 44 85.272 4.042 11.369 365 HZ3 LYS 44 HZ3 LYS 44 83.681 4.134 11.959 366 H LYS 45 HN LYS 45 86.830 0.680 8.631 367 HA LYS 45 HA LYS 45 89.103 -0.943 7.962 368 HB2 LYS 45 HB2 LYS 45 86.199 -1.768 7.725 369 HB3 LYS 45 HB1 LYS 45 87.593 -2.805 8.027 370 HG2 LYS 45 HG2 LYS 45 87.819 -1.019 10.085 371 HG3 LYS 45 HG1 LYS 45 86.066 -1.112 9.908 372 HD2 LYS 45 HD2 LYS 45 87.900 -3.512 10.176 373 HD3 LYS 45 HD1 LYS 45 86.951 -2.821 11.493 374 HE2 LYS 45 HE2 LYS 45 84.899 -3.160 10.014 375 HE3 LYS 45 HE1 LYS 45 85.932 -4.131 8.965 376 HZ1 LYS 45 HZ1 LYS 45 84.647 -4.927 11.297 377 HZ2 LYS 45 HZ2 LYS 45 86.311 -4.917 11.639 378 HZ3 LYS 45 HZ3 LYS 45 85.714 -5.833 10.339 379 H GLY 46 HN GLY 46 86.501 0.464 6.052 380 HA2 GLY 46 HA2 GLY 46 86.955 -1.085 3.670 381 HA3 GLY 46 HA1 GLY 46 86.140 0.479 3.730 382 H VAL 47 HN VAL 47 87.983 -0.256 1.671 383 HA VAL 47 HA VAL 47 90.643 0.538 1.976 384 HB VAL 47 HB VAL 47 88.791 1.127 -0.353 385 HG11 VAL 47 HG11 VAL 47 91.805 1.202 -0.072 386 HG12 VAL 47 HG12 VAL 47 90.740 2.515 -0.575 387 HG13 VAL 47 HG13 VAL 47 90.986 1.125 -1.632 388 HG21 VAL 47 HG21 VAL 47 89.118 -1.292 0.422 389 HG22 VAL 47 HG22 VAL 47 90.809 -1.107 -0.041 390 HG23 VAL 47 HG23 VAL 47 89.540 -0.956 -1.257 391 H GLN 48 HN GLN 48 91.714 2.601 1.650 392 HA GLN 48 HA GLN 48 90.195 4.834 2.824 393 HB2 GLN 48 HB2 GLN 48 93.098 4.542 1.999 394 HB3 GLN 48 HB1 GLN 48 92.425 5.992 2.743 395 HG2 GLN 48 HG2 GLN 48 91.631 4.509 4.649 396 HG3 GLN 48 HG1 GLN 48 92.611 3.221 3.946 397 HE21 GLN 48 HE21 GLN 48 94.665 5.267 3.008 398 HE22 GLN 48 HE22 GLN 48 95.532 5.677 4.409 399 H GLY 49 HN GLY 49 89.664 3.858 0.014 400 HA2 GLY 49 HA2 GLY 49 90.699 5.768 -1.857 401 HA3 GLY 49 HA1 GLY 49 89.238 4.809 -2.093 402 H1U RCY 50 H1U RCY 50 80.520 7.813 1.088 403 H1S RCY 50 H1S RCY 50 84.681 5.319 1.281 404 HB1 RCY 50 HB1 RCY 50 85.348 8.457 -0.608 405 HB2 RCY 50 HB2 RCY 50 86.874 8.588 0.266 406 HA RCY 50 HA RCY 50 86.380 8.234 -2.644 407 HN1 RCY 50 HN1 RCY 50 87.841 6.408 -2.811 408 H GLY 51 HN GLY 51 86.896 10.280 -3.286 409 HA2 GLY 51 HA2 GLY 51 88.376 12.144 -1.745 410 HA3 GLY 51 HA1 GLY 51 89.496 11.396 -2.882 411 H ASP 52 HN ASP 52 87.275 11.054 -4.890 412 HA ASP 52 HA ASP 52 87.667 13.560 -6.266 413 HB2 ASP 52 HB2 ASP 52 85.658 11.362 -6.838 414 HB3 ASP 52 HB1 ASP 52 86.158 12.628 -7.959 415 H ASP 53 HN ASP 53 84.849 13.661 -7.290 416 HA ASP 53 HA ASP 53 83.525 14.913 -4.912 417 HB2 ASP 53 HB2 ASP 53 82.723 16.713 -6.395 418 HB3 ASP 53 HB1 ASP 53 84.486 16.660 -6.373 419 H ILE 54 HN ILE 54 81.604 15.584 -7.447 420 HA ILE 54 HA ILE 54 80.280 12.908 -7.512 421 HB ILE 54 HB ILE 54 78.738 15.479 -7.083 422 HG12 ILE 54 HG12 ILE 54 78.472 14.187 -4.732 423 HG13 ILE 54 HG11 ILE 54 80.106 13.671 -5.149 424 HG21 ILE 54 HG21 ILE 54 77.500 13.609 -8.091 425 HG22 ILE 54 HG22 ILE 54 76.948 13.886 -6.440 426 HG23 ILE 54 HG23 ILE 54 78.033 12.541 -6.793 427 HD11 ILE 54 HD11 ILE 54 80.514 15.669 -4.007 428 HD12 ILE 54 HD12 ILE 54 79.071 16.449 -4.655 429 HD13 ILE 54 HD13 ILE 54 80.483 16.211 -5.685 430 HA PRO 55 HA PRO 55 80.239 14.865 -11.677 431 HB2 PRO 55 HB2 PRO 55 81.727 13.051 -12.999 432 HB3 PRO 55 HB1 PRO 55 82.476 14.307 -11.993 433 HG2 PRO 55 HG2 PRO 55 82.101 11.423 -11.437 434 HG3 PRO 55 HG1 PRO 55 83.400 12.514 -10.934 435 HD2 PRO 55 HD2 PRO 55 81.185 11.707 -9.361 436 HD3 PRO 55 HD1 PRO 55 82.337 13.003 -8.974 437 H GLY 56 HN GLY 56 79.946 11.397 -10.903 438 HA2 GLY 56 HA2 GLY 56 77.522 11.291 -12.646 439 HA3 GLY 56 HA1 GLY 56 78.737 10.014 -12.736 440 H MET 57 HN MET 57 78.612 11.151 -9.609 441 HA MET 57 HA MET 57 77.688 10.342 -7.618 442 HB2 MET 57 HB2 MET 57 75.490 9.123 -9.303 443 HB3 MET 57 HB1 MET 57 75.417 9.595 -7.610 444 HG2 MET 57 HG2 MET 57 76.204 11.772 -9.439 445 HG3 MET 57 HG1 MET 57 74.565 11.171 -9.688 446 HE1 MET 57 HE1 MET 57 72.600 12.166 -8.405 447 HE2 MET 57 HE2 MET 57 72.597 11.916 -6.661 448 HE3 MET 57 HE3 MET 57 73.023 10.586 -7.736 449 H GLU 58 HN GLU 58 79.502 8.686 -9.373 450 HA GLU 58 HA GLU 58 78.666 5.956 -8.468 451 HB2 GLU 58 HB2 GLU 58 80.404 5.158 -10.089 452 HB3 GLU 58 HB1 GLU 58 79.099 6.060 -10.856 453 HG2 GLU 58 HG2 GLU 58 81.509 7.577 -9.933 454 HG3 GLU 58 HG1 GLU 58 81.643 6.614 -11.404 455 H GLY 59 HN GLY 59 81.786 5.590 -9.113 456 HA2 GLY 59 HA2 GLY 59 83.797 5.724 -7.875 457 HA3 GLY 59 HA1 GLY 59 82.988 6.805 -6.741 458 H1U RCY 60 H1U RCY 60 77.647 3.855 -9.498 459 H1S RCY 60 H1S RCY 60 81.983 3.181 -7.950 460 HB1 RCY 60 HB1 RCY 60 81.520 2.317 -5.762 461 HB2 RCY 60 HB2 RCY 60 82.368 0.939 -5.062 462 HA RCY 60 HA RCY 60 83.368 3.059 -4.297 463 HN1 RCY 60 HN1 RCY 60 84.487 3.955 -6.784 464 H GLY 61 HN GLY 61 84.087 0.379 -4.337 465 HA2 GLY 61 HA2 GLY 61 86.592 -0.099 -5.687 466 HA3 GLY 61 HA1 GLY 61 86.873 0.416 -4.023 467 H THR 62 HN THR 62 85.858 -0.885 -2.303 468 HA THR 62 HA THR 62 84.759 -3.505 -3.019 469 HB THR 62 HB THR 62 86.985 -4.220 -3.263 470 HG1 THR 62 HG1 THR 62 87.082 -5.626 -1.681 471 HG21 THR 62 HG21 THR 62 87.574 -2.283 -1.022 472 HG22 THR 62 HG22 THR 62 88.200 -2.267 -2.671 473 HG23 THR 62 HG23 THR 62 88.741 -3.502 -1.534 474 H ASP 63 HN ASP 63 84.931 -0.886 -1.038 475 HA ASP 63 HA ASP 63 84.608 -2.096 1.567 476 HB2 ASP 63 HB2 ASP 63 85.257 0.296 1.188 477 HB3 ASP 63 HB1 ASP 63 83.617 0.608 0.618 478 H ILE 64 HN ILE 64 82.914 -3.219 -0.585 479 HA ILE 64 HA ILE 64 80.312 -2.998 0.833 480 HB ILE 64 HB ILE 64 80.800 -2.463 -2.104 481 HG12 ILE 64 HG12 ILE 64 79.028 -1.068 -0.078 482 HG13 ILE 64 HG11 ILE 64 80.699 -0.597 -0.391 483 HG21 ILE 64 HG21 ILE 64 78.313 -3.486 -0.729 484 HG22 ILE 64 HG22 ILE 64 79.075 -4.088 -2.201 485 HG23 ILE 64 HG23 ILE 64 78.222 -2.544 -2.217 486 HD11 ILE 64 HD11 ILE 64 78.535 0.396 -1.750 487 HD12 ILE 64 HD12 ILE 64 79.051 -0.911 -2.817 488 HD13 ILE 64 HD13 ILE 64 80.181 0.371 -2.382 489 H THR 65 HN THR 65 82.140 -4.594 -1.777 490 HA THR 65 HA THR 65 80.563 -6.976 -1.863 491 HB THR 65 HB THR 65 83.495 -6.542 -2.511 492 HG1 THR 65 HG1 THR 65 82.761 -5.763 -4.306 493 HG21 THR 65 HG21 THR 65 83.200 -8.888 -2.265 494 HG22 THR 65 HG22 THR 65 83.049 -8.586 -3.996 495 HG23 THR 65 HG23 THR 65 81.605 -8.843 -3.016 496 H VAL 66 HN VAL 66 83.290 -5.997 0.159 497 HA VAL 66 HA VAL 66 83.363 -8.668 1.435 498 HB VAL 66 HB VAL 66 85.008 -6.258 2.214 499 HG11 VAL 66 HG11 VAL 66 85.734 -9.193 2.230 500 HG12 VAL 66 HG12 VAL 66 84.911 -8.426 3.589 501 HG13 VAL 66 HG13 VAL 66 86.514 -7.874 3.103 502 HG21 VAL 66 HG21 VAL 66 85.465 -8.239 -0.037 503 HG22 VAL 66 HG22 VAL 66 86.722 -7.184 0.610 504 HG23 VAL 66 HG23 VAL 66 85.306 -6.488 -0.179 505 H ILE 67 HN ILE 67 83.004 -5.260 2.512 506 HA ILE 67 HA ILE 67 81.192 -6.278 4.663 507 HB ILE 67 HB ILE 67 83.378 -4.214 5.055 508 HG12 ILE 67 HG12 ILE 67 83.124 -7.027 6.166 509 HG13 ILE 67 HG11 ILE 67 84.188 -6.575 4.833 510 HG21 ILE 67 HG21 ILE 67 81.343 -5.442 6.938 511 HG22 ILE 67 HG22 ILE 67 81.431 -3.752 6.441 512 HG23 ILE 67 HG23 ILE 67 82.699 -4.440 7.455 513 HD11 ILE 67 HD11 ILE 67 84.297 -5.490 7.663 514 HD12 ILE 67 HD12 ILE 67 85.307 -4.926 6.331 515 HD13 ILE 67 HD13 ILE 67 85.463 -6.582 6.916 516 H1U RCY 68 H1U RCY 68 76.777 -1.268 -2.289 517 H1S RCY 68 H1S RCY 68 75.313 -3.310 0.872 518 HB1 RCY 68 HB1 RCY 68 77.705 -4.951 2.428 519 HB2 RCY 68 HB2 RCY 68 77.879 -3.439 1.541 520 HA RCY 68 HA RCY 68 79.243 -2.560 3.126 521 HN1 RCY 68 HN1 RCY 68 79.279 -5.409 4.005 522 HA PRO 69 HA PRO 69 77.975 -1.271 7.214 523 HB2 PRO 69 HB2 PRO 69 76.175 0.511 5.607 524 HB3 PRO 69 HB1 PRO 69 77.229 0.914 6.977 525 HG2 PRO 69 HG2 PRO 69 77.920 1.455 4.449 526 HG3 PRO 69 HG1 PRO 69 79.113 1.002 5.676 527 HD2 PRO 69 HD2 PRO 69 78.146 -0.557 3.353 528 HD3 PRO 69 HD1 PRO 69 79.649 -0.736 4.283 529 H TRP 70 HN TRP 70 75.715 -2.348 4.765 530 HA TRP 70 HA TRP 70 73.300 -2.276 6.261 531 HD1 TRP 70 HD1 TRP 70 71.137 -2.039 5.126 532 HE1 TRP 70 HE1 TRP 70 68.967 -3.422 5.256 533 HE3 TRP 70 HE3 TRP 70 73.008 -6.702 4.215 534 HZ2 TRP 70 HZ2 TRP 70 68.132 -6.151 5.006 535 HZ3 TRP 70 HZ3 TRP 70 71.509 -8.670 4.166 536 HH2 TRP 70 HH2 TRP 70 69.077 -8.405 4.560 537 HB2 TRP 70 HB2 TRP 70 73.567 -2.845 3.792 538 HB3 TRP 70 HB1 TRP 70 74.053 -4.461 4.308 539 H GLU 71 HN GLU 71 76.034 -4.474 6.408 540 HA GLU 71 HA GLU 71 74.563 -6.403 8.082 541 HB2 GLU 71 HB2 GLU 71 77.436 -6.218 7.147 542 HB3 GLU 71 HB1 GLU 71 76.878 -7.463 8.265 543 HG2 GLU 71 HG2 GLU 71 75.535 -6.966 5.601 544 HG3 GLU 71 HG1 GLU 71 76.873 -8.101 5.787 545 H ALA 72 HN ALA 72 77.125 -3.966 8.471 546 HA ALA 72 HA ALA 72 77.395 -4.471 11.328 547 HB1 ALA 72 HB1 ALA 72 79.198 -3.508 9.813 548 HB2 ALA 72 HB2 ALA 72 78.937 -2.635 11.323 549 HB3 ALA 72 HB3 ALA 72 78.278 -2.003 9.813 550 H1U RCY 73 H1U RCY 73 72.128 2.898 4.918 551 H1S RCY 73 H1S RCY 73 72.417 2.520 9.212 552 HB1 RCY 73 HB1 RCY 73 73.807 -0.011 9.162 553 HB2 RCY 73 HB2 RCY 73 75.503 0.465 9.219 554 HA RCY 73 HA RCY 73 75.215 -0.192 11.794 555 HN1 RCY 73 HN1 RCY 73 76.397 -1.489 9.623 556 H ASN 74 HN ASN 74 73.146 -1.685 9.307 557 HA ASN 74 HA ASN 74 71.773 -3.618 10.708 558 HB2 ASN 74 HB2 ASN 74 71.117 -0.913 11.732 559 HB3 ASN 74 HB1 ASN 74 69.714 -1.901 11.334 560 HD21 ASN 74 HD21 ASN 74 69.323 -1.986 13.743 561 HD22 ASN 74 HD22 ASN 74 70.201 -3.095 14.681 562 H HIS 75 HN HIS 75 69.134 -3.316 10.072 563 HA HIS 75 HA HIS 75 68.998 -3.701 7.302 564 HD1 HIS 75 HD1 HIS 75 67.522 -5.251 6.425 565 HD2 HIS 75 HD2 HIS 75 64.747 -2.190 7.002 566 HE1 HIS 75 HE1 HIS 75 65.889 -5.392 4.494 567 HE2 HIS 75 HE2 HIS 75 64.194 -3.535 4.833 568 HB2 HIS 75 HB2 HIS 75 67.172 -4.109 9.065 569 HB3 HIS 75 HB1 HIS 75 66.758 -2.406 8.870 570 H1U RCY 76 H1U RCY 76 71.828 -1.852 4.377 571 H1S RCY 76 H1S RCY 76 70.057 1.992 4.249 572 HB1 RCY 76 HB1 RCY 76 66.321 1.264 6.622 573 HB2 RCY 76 HB2 RCY 76 67.173 -0.048 5.811 574 HA RCY 76 HA RCY 76 69.250 1.019 7.145 575 HN1 RCY 76 HN1 RCY 76 67.755 -0.742 8.889 576 H GLU 77 HN GLU 77 68.922 0.853 9.922 577 HA GLU 77 HA GLU 77 66.892 2.666 10.897 578 HB2 GLU 77 HB2 GLU 77 68.510 0.857 12.099 579 HB3 GLU 77 HB1 GLU 77 69.415 2.329 12.450 580 HG2 GLU 77 HG2 GLU 77 66.468 1.913 13.041 581 HG3 GLU 77 HG1 GLU 77 67.765 1.823 14.233 582 H LEU 78 HN LEU 78 67.266 4.837 11.733 583 HA LEU 78 HA LEU 78 68.108 7.018 11.556 584 HG LEU 78 HG LEU 78 70.125 8.409 11.335 585 HB2 LEU 78 HB2 LEU 78 70.201 5.577 12.371 586 HB3 LEU 78 HB1 LEU 78 70.801 5.963 10.761 587 HD11 LEU 78 HD11 LEU 78 68.871 8.135 13.328 588 HD12 LEU 78 HD12 LEU 78 70.427 8.761 13.875 589 HD13 LEU 78 HD13 LEU 78 70.066 7.042 14.027 590 HD21 LEU 78 HD21 LEU 78 72.459 7.568 11.120 591 HD22 LEU 78 HD22 LEU 78 72.422 7.088 12.817 592 HD23 LEU 78 HD23 LEU 78 72.313 8.793 12.381 593 H HIS 79 HN HIS 79 68.409 8.565 9.879 594 HA HIS 79 HA HIS 79 68.214 9.290 7.645 595 HD1 HIS 79 HD1 HIS 79 72.476 7.291 7.926 596 HD2 HIS 79 HD2 HIS 79 70.092 10.644 8.620 597 HE1 HIS 79 HE1 HIS 79 73.844 8.854 9.375 598 HE2 HIS 79 HE2 HIS 79 72.405 10.899 9.805 599 HB2 HIS 79 HB2 HIS 79 70.095 6.971 7.109 600 HB3 HIS 79 HB1 HIS 79 69.904 8.428 6.137 601 H GLU 80 HN GLU 80 66.029 8.712 7.247 602 HA GLU 80 HA GLU 80 65.583 5.984 6.108 603 HB2 GLU 80 HB2 GLU 80 63.499 7.932 7.124 604 HB3 GLU 80 HB1 GLU 80 63.269 6.228 6.728 605 HG2 GLU 80 HG2 GLU 80 64.829 5.596 8.535 606 HG3 GLU 80 HG1 GLU 80 65.046 7.300 8.939 607 H LEU 81 HN LEU 81 63.451 8.741 5.634 608 HA LEU 81 HA LEU 81 63.805 8.380 2.708 609 HG LEU 81 HG LEU 81 62.189 10.077 5.377 610 HB2 LEU 81 HB2 LEU 81 61.663 9.890 2.733 611 HB3 LEU 81 HB1 LEU 81 61.532 8.188 3.171 612 HD11 LEU 81 HD11 LEU 81 59.501 9.963 3.987 613 HD12 LEU 81 HD12 LEU 81 60.485 11.391 4.310 614 HD13 LEU 81 HD13 LEU 81 59.703 10.539 5.642 615 HD21 LEU 81 HD21 LEU 81 60.949 8.512 6.669 616 HD22 LEU 81 HD22 LEU 81 61.818 7.527 5.492 617 HD23 LEU 81 HD23 LEU 81 60.109 7.887 5.249 618 H ALA 82 HN ALA 82 63.611 11.030 5.111 619 HA ALA 82 HA ALA 82 63.969 13.220 3.433 620 HB1 ALA 82 HB1 ALA 82 65.297 12.769 6.124 621 HB2 ALA 82 HB2 ALA 82 63.680 13.427 5.870 622 HB3 ALA 82 HB3 ALA 82 65.095 14.334 5.336 623 H GLN 83 HN GLN 83 65.464 13.600 1.885 624 HA GLN 83 HA GLN 83 67.461 13.389 0.657 625 HB2 GLN 83 HB2 GLN 83 68.410 13.910 3.483 626 HB3 GLN 83 HB1 GLN 83 69.513 13.852 2.110 627 HG2 GLN 83 HG2 GLN 83 67.062 15.593 2.006 628 HG3 GLN 83 HG1 GLN 83 68.521 16.161 2.818 629 HE21 GLN 83 HE21 GLN 83 69.905 17.290 1.456 630 HE22 GLN 83 HE22 GLN 83 70.039 17.053 -0.219 631 H TYR 84 HN TYR 84 66.292 10.923 2.121 632 HA TYR 84 HA TYR 84 68.643 9.185 1.569 633 HD1 TYR 84 HD2 TYR 84 70.457 9.228 2.884 634 HD2 TYR 84 HD1 TYR 84 67.468 10.453 5.715 635 HE1 TYR 84 HE2 TYR 84 72.121 10.679 4.013 636 HE2 TYR 84 HE1 TYR 84 69.132 11.905 6.844 637 HH TYR 84 HH TYR 84 72.518 11.766 6.066 638 HB2 TYR 84 HB2 TYR 84 66.887 8.953 4.035 639 HB3 TYR 84 HB1 TYR 84 68.172 7.835 3.581 640 H GLY 85 HN GLY 85 65.476 9.961 1.036 641 HA2 GLY 85 HA2 GLY 85 64.553 7.179 0.580 642 HA3 GLY 85 HA1 GLY 85 63.552 8.629 0.458 643 H ILE 86 HN ILE 86 65.709 9.995 -1.127 644 HA ILE 86 HA ILE 86 64.761 9.488 -3.743 645 HB ILE 86 HB ILE 86 67.587 10.409 -3.199 646 HG12 ILE 86 HG12 ILE 86 66.236 11.593 -1.572 647 HG13 ILE 86 HG11 ILE 86 66.577 12.702 -2.901 648 HG21 ILE 86 HG21 ILE 86 66.675 10.127 -5.547 649 HG22 ILE 86 HG22 ILE 86 67.231 11.756 -5.164 650 HG23 ILE 86 HG23 ILE 86 65.506 11.392 -5.169 651 HD11 ILE 86 HD11 ILE 86 64.352 11.978 -3.911 652 HD12 ILE 86 HD12 ILE 86 64.241 12.931 -2.431 653 HD13 ILE 86 HD13 ILE 86 64.014 11.182 -2.373 654 H1U RCY 87 H1U RCY 87 69.191 -1.532 -4.698 655 H1S RCY 87 H1S RCY 87 67.792 2.113 -2.020 656 HB1 RCY 87 HB1 RCY 87 66.585 4.352 -1.982 657 HB2 RCY 87 HB2 RCY 87 67.407 5.591 -1.039 658 HA RCY 87 HA RCY 87 68.392 6.204 -3.467 659 HN1 RCY 87 HN1 RCY 87 66.399 7.353 -1.839 Start of MODEL 63 1 HA MET 1 HA MET 1 59.335 -10.836 -0.483 2 HB2 MET 1 HB2 MET 1 59.391 -13.226 -2.334 3 HB3 MET 1 HB1 MET 1 58.728 -11.622 -2.649 4 HG2 MET 1 HG2 MET 1 61.032 -10.677 -2.466 5 HG3 MET 1 HG1 MET 1 61.657 -12.315 -2.279 6 HE1 MET 1 HE1 MET 1 62.962 -12.061 -5.690 7 HE2 MET 1 HE2 MET 1 62.801 -13.353 -4.503 8 HE3 MET 1 HE3 MET 1 63.207 -11.724 -3.972 9 H ASN 2 HN ASN 2 58.919 -14.383 -0.798 10 HA ASN 2 HA ASN 2 56.190 -14.195 0.222 11 HB2 ASN 2 HB2 ASN 2 57.901 -16.650 -0.279 12 HB3 ASN 2 HB1 ASN 2 56.151 -16.626 -0.057 13 HD21 ASN 2 HD21 ASN 2 58.244 -17.059 -2.478 14 HD22 ASN 2 HD22 ASN 2 57.452 -16.257 -3.747 15 H LEU 3 HN LEU 3 58.484 -13.371 1.978 16 HA LEU 3 HA LEU 3 58.416 -15.423 4.111 17 HG LEU 3 HG LEU 3 60.117 -12.872 2.298 18 HB2 LEU 3 HB2 LEU 3 59.870 -13.522 5.253 19 HB3 LEU 3 HB1 LEU 3 60.572 -14.557 4.011 20 HD11 LEU 3 HD11 LEU 3 59.319 -10.580 3.187 21 HD12 LEU 3 HD12 LEU 3 58.758 -11.472 4.602 22 HD13 LEU 3 HD13 LEU 3 58.104 -11.846 3.007 23 HD21 LEU 3 HD21 LEU 3 61.349 -11.456 4.673 24 HD22 LEU 3 HD22 LEU 3 61.748 -11.255 2.967 25 HD23 LEU 3 HD23 LEU 3 62.184 -12.744 3.806 26 H GLU 4 HN GLU 4 58.187 -14.310 6.430 27 HA GLU 4 HA GLU 4 55.481 -13.238 6.504 28 HB2 GLU 4 HB2 GLU 4 57.355 -13.320 8.866 29 HB3 GLU 4 HB1 GLU 4 55.605 -13.542 8.839 30 HG2 GLU 4 HG2 GLU 4 55.987 -15.647 7.487 31 HG3 GLU 4 HG1 GLU 4 57.711 -15.459 7.812 32 HA PRO 5 HA PRO 5 55.986 -8.852 6.346 33 HB2 PRO 5 HB2 PRO 5 54.971 -8.921 9.173 34 HB3 PRO 5 HB1 PRO 5 54.492 -7.859 7.834 35 HG2 PRO 5 HG2 PRO 5 53.033 -9.989 8.565 36 HG3 PRO 5 HG1 PRO 5 53.142 -9.445 6.884 37 HD2 PRO 5 HD2 PRO 5 54.249 -11.883 8.111 38 HD3 PRO 5 HD1 PRO 5 54.003 -11.503 6.393 39 HA PRO 6 HA PRO 6 59.870 -8.902 8.782 40 HB2 PRO 6 HB2 PRO 6 61.450 -7.726 6.925 41 HB3 PRO 6 HB1 PRO 6 60.992 -9.438 6.826 42 HG2 PRO 6 HG2 PRO 6 59.945 -7.114 5.309 43 HG3 PRO 6 HG1 PRO 6 60.191 -8.787 4.788 44 HD2 PRO 6 HD2 PRO 6 57.734 -7.672 5.555 45 HD3 PRO 6 HD1 PRO 6 58.088 -9.410 5.442 46 H LYS 7 HN LYS 7 60.524 -7.305 10.184 47 HA LYS 7 HA LYS 7 60.322 -4.465 9.391 48 HB2 LYS 7 HB2 LYS 7 58.966 -3.856 11.333 49 HB3 LYS 7 HB1 LYS 7 58.095 -5.041 10.360 50 HG2 LYS 7 HG2 LYS 7 59.044 -6.836 11.878 51 HG3 LYS 7 HG1 LYS 7 59.628 -5.541 12.923 52 HD2 LYS 7 HD2 LYS 7 57.562 -5.952 13.894 53 HD3 LYS 7 HD1 LYS 7 57.120 -4.702 12.730 54 HE2 LYS 7 HE2 LYS 7 56.411 -6.402 11.122 55 HE3 LYS 7 HE1 LYS 7 56.932 -7.685 12.215 56 HZ1 LYS 7 HZ1 LYS 7 55.110 -5.740 13.352 57 HZ2 LYS 7 HZ2 LYS 7 55.137 -7.431 13.512 58 HZ3 LYS 7 HZ3 LYS 7 54.449 -6.716 12.133 59 H ALA 8 HN ALA 8 61.815 -6.991 11.034 60 HA ALA 8 HA ALA 8 63.587 -7.076 12.579 61 HB1 ALA 8 HB1 ALA 8 65.342 -5.462 12.176 62 HB2 ALA 8 HB2 ALA 8 64.201 -4.332 11.446 63 HB3 ALA 8 HB3 ALA 8 64.597 -5.841 10.623 64 H GLU 9 HN GLU 9 64.799 -5.367 14.240 65 HA GLU 9 HA GLU 9 62.808 -3.584 15.494 66 HB2 GLU 9 HB2 GLU 9 63.887 -6.087 16.813 67 HB3 GLU 9 HB1 GLU 9 63.194 -4.749 17.730 68 HG2 GLU 9 HG2 GLU 9 61.117 -4.961 16.311 69 HG3 GLU 9 HG1 GLU 9 61.809 -6.432 15.625 70 H1U RCY 10 H1U RCY 10 69.201 -5.331 9.290 71 H1S RCY 10 H1S RCY 10 68.323 -6.375 13.236 72 HB1 RCY 10 HB1 RCY 10 69.034 -2.406 14.799 73 HB2 RCY 10 HB2 RCY 10 67.829 -2.822 13.581 74 HA RCY 10 HA RCY 10 67.328 -2.880 16.572 75 HN1 RCY 10 HN1 RCY 10 65.665 -3.677 14.291 76 H ARG 11 HN ARG 11 65.161 -1.355 14.385 77 HA ARG 11 HA ARG 11 65.451 1.189 15.692 78 HE ARG 11 HE ARG 11 68.507 -0.765 10.781 79 HB2 ARG 11 HB2 ARG 11 66.347 2.508 13.862 80 HB3 ARG 11 HB1 ARG 11 67.499 1.246 14.289 81 HG2 ARG 11 HG2 ARG 11 65.448 0.857 12.103 82 HG3 ARG 11 HG1 ARG 11 67.030 1.566 11.781 83 HD2 ARG 11 HD2 ARG 11 67.940 -0.532 13.058 84 HD3 ARG 11 HD1 ARG 11 66.360 -1.221 12.687 85 HH11 ARG 11 HH21 ARG 11 65.100 -0.904 11.293 86 HH12 ARG 11 HH22 ARG 11 64.736 -1.323 9.652 87 HH21 ARG 11 HH11 ARG 11 68.051 -1.312 8.635 88 HH22 ARG 11 HH12 ARG 11 66.407 -1.554 8.148 89 H SER 12 HN SER 12 64.353 2.911 13.909 90 HA SER 12 HA SER 12 62.207 3.485 13.124 91 HG SER 12 HG SER 12 62.340 0.057 12.165 92 HB2 SER 12 HB2 SER 12 61.445 1.959 11.249 93 HB3 SER 12 HB1 SER 12 63.086 2.575 11.075 94 H ALA 13 HN ALA 13 60.047 1.832 12.363 95 HA ALA 13 HA ALA 13 59.480 0.024 14.621 96 HB1 ALA 13 HB1 ALA 13 58.911 2.351 15.422 97 HB2 ALA 13 HB2 ALA 13 57.541 1.241 15.402 98 HB3 ALA 13 HB3 ALA 13 57.720 2.443 14.125 99 H THR 14 HN THR 14 58.230 1.718 11.752 100 HA THR 14 HA THR 14 57.334 -0.782 10.581 101 HB THR 14 HB THR 14 55.162 1.195 11.325 102 HG1 THR 14 HG1 THR 14 55.292 -1.310 12.501 103 HG21 THR 14 HG21 THR 14 53.666 -0.555 10.596 104 HG22 THR 14 HG22 THR 14 55.006 -1.687 10.407 105 HG23 THR 14 HG23 THR 14 54.859 -0.304 9.322 106 H ARG 15 HN ARG 15 58.569 -0.032 8.802 107 HA ARG 15 HA ARG 15 58.964 1.160 6.820 108 HE ARG 15 HE ARG 15 55.939 3.715 2.922 109 HB2 ARG 15 HB2 ARG 15 56.569 0.375 6.483 110 HB3 ARG 15 HB1 ARG 15 56.053 1.964 7.048 111 HG2 ARG 15 HG2 ARG 15 57.628 2.922 5.251 112 HG3 ARG 15 HG1 ARG 15 57.660 1.290 4.582 113 HD2 ARG 15 HD2 ARG 15 55.181 1.321 4.437 114 HD3 ARG 15 HD1 ARG 15 55.181 2.976 5.047 115 HH11 ARG 15 HH21 ARG 15 56.116 0.293 3.299 116 HH12 ARG 15 HH22 ARG 15 56.465 -0.007 1.629 117 HH21 ARG 15 HH11 ARG 15 56.394 3.344 0.740 118 HH22 ARG 15 HH12 ARG 15 56.623 1.721 0.180 119 H VAL 16 HN VAL 16 60.336 2.818 7.504 120 HA VAL 16 HA VAL 16 59.080 5.477 7.747 121 HB VAL 16 HB VAL 16 59.330 4.467 10.092 122 HG11 VAL 16 HG11 VAL 16 61.617 3.478 9.468 123 HG12 VAL 16 HG12 VAL 16 61.509 4.286 11.032 124 HG13 VAL 16 HG13 VAL 16 62.252 5.112 9.663 125 HG21 VAL 16 HG21 VAL 16 60.089 6.583 11.025 126 HG22 VAL 16 HG22 VAL 16 59.140 6.919 9.576 127 HG23 VAL 16 HG23 VAL 16 60.901 6.998 9.515 128 H MET 17 HN MET 17 60.727 7.209 7.551 129 HA MET 17 HA MET 17 63.473 6.760 6.999 130 HB2 MET 17 HB2 MET 17 62.838 5.482 5.060 131 HB3 MET 17 HB1 MET 17 61.638 6.684 4.587 132 HG2 MET 17 HG2 MET 17 63.316 8.275 4.004 133 HG3 MET 17 HG1 MET 17 64.582 7.340 4.800 134 HE1 MET 17 HE1 MET 17 65.745 7.978 2.388 135 HE2 MET 17 HE2 MET 17 66.100 6.459 1.570 136 HE3 MET 17 HE3 MET 17 66.282 6.574 3.318 137 H GLY 18 HN GLY 18 60.558 8.621 6.612 138 HA2 GLY 18 HA2 GLY 18 61.616 11.029 5.548 139 HA3 GLY 18 HA1 GLY 18 60.204 10.939 6.601 140 H GLY 19 HN GLY 19 61.800 13.107 6.926 141 HA2 GLY 19 HA2 GLY 19 62.298 13.657 9.449 142 HA3 GLY 19 HA1 GLY 19 63.618 12.510 9.208 143 HA PRO 20 HA PRO 20 64.865 17.045 8.284 144 HB2 PRO 20 HB2 PRO 20 67.258 15.819 9.616 145 HB3 PRO 20 HB1 PRO 20 66.602 17.461 9.769 146 HG2 PRO 20 HG2 PRO 20 66.213 15.615 11.654 147 HG3 PRO 20 HG1 PRO 20 64.975 16.816 11.252 148 HD2 PRO 20 HD2 PRO 20 65.025 13.904 10.655 149 HD3 PRO 20 HD1 PRO 20 63.635 14.997 10.831 150 H1U RCY 21 H1U RCY 21 66.027 7.550 4.091 151 H1S RCY 21 H1S RCY 21 67.832 11.392 3.631 152 HB1 RCY 21 HB1 RCY 21 64.956 14.684 3.544 153 HB2 RCY 21 HB2 RCY 21 65.361 13.689 4.942 154 HA RCY 21 HA RCY 21 67.461 15.286 5.085 155 HN1 RCY 21 HN1 RCY 21 64.785 16.250 6.024 156 H THR 22 HN THR 22 68.364 16.504 3.471 157 HA THR 22 HA THR 22 66.642 18.380 1.939 158 HB THR 22 HB THR 22 68.447 20.160 2.344 159 HG1 THR 22 HG1 THR 22 69.690 18.294 3.454 160 HG21 THR 22 HG21 THR 22 66.220 20.315 3.339 161 HG22 THR 22 HG22 THR 22 67.431 20.821 4.517 162 HG23 THR 22 HG23 THR 22 66.699 19.221 4.636 163 HA PRO 23 HA PRO 23 69.391 16.072 -0.939 164 HB2 PRO 23 HB2 PRO 23 67.777 17.769 -2.804 165 HB3 PRO 23 HB1 PRO 23 68.173 16.042 -2.907 166 HG2 PRO 23 HG2 PRO 23 65.759 16.873 -2.153 167 HG3 PRO 23 HG1 PRO 23 66.512 15.440 -1.434 168 HD2 PRO 23 HD2 PRO 23 66.116 18.150 -0.248 169 HD3 PRO 23 HD1 PRO 23 66.185 16.566 0.554 170 H ARG 24 HN ARG 24 71.400 17.079 -0.615 171 HA ARG 24 HA ARG 24 71.856 19.888 -1.122 172 HE ARG 24 HE ARG 24 73.859 20.781 2.971 173 HB2 ARG 24 HB2 ARG 24 73.843 17.598 -0.982 174 HB3 ARG 24 HB1 ARG 24 74.243 19.313 -0.894 175 HG2 ARG 24 HG2 ARG 24 72.433 17.854 1.053 176 HG3 ARG 24 HG1 ARG 24 74.119 18.271 1.360 177 HD2 ARG 24 HD2 ARG 24 73.303 20.700 0.689 178 HD3 ARG 24 HD1 ARG 24 71.728 20.066 1.167 179 HH11 ARG 24 HH21 ARG 24 71.356 18.493 2.350 180 HH12 ARG 24 HH22 ARG 24 71.121 18.097 4.020 181 HH21 ARG 24 HH11 ARG 24 73.566 20.277 5.155 182 HH22 ARG 24 HH12 ARG 24 72.372 19.107 5.608 183 H LYS 25 HN LYS 25 74.037 20.104 -2.733 184 HA LYS 25 HA LYS 25 73.874 18.622 -5.194 185 HB2 LYS 25 HB2 LYS 25 72.918 20.436 -6.611 186 HB3 LYS 25 HB1 LYS 25 71.747 19.795 -5.460 187 HG2 LYS 25 HG2 LYS 25 72.960 21.810 -4.011 188 HG3 LYS 25 HG1 LYS 25 72.904 22.490 -5.638 189 HD2 LYS 25 HD2 LYS 25 70.499 22.029 -5.774 190 HD3 LYS 25 HD1 LYS 25 70.536 21.286 -4.174 191 HE2 LYS 25 HE2 LYS 25 71.541 23.561 -3.397 192 HE3 LYS 25 HE1 LYS 25 70.890 24.184 -4.913 193 HZ1 LYS 25 HZ1 LYS 25 69.317 24.418 -3.082 194 HZ2 LYS 25 HZ2 LYS 25 69.329 22.736 -2.842 195 HZ3 LYS 25 HZ3 LYS 25 68.712 23.387 -4.285 196 H GLY 26 HN GLY 26 75.658 20.134 -3.155 197 HA2 GLY 26 HA2 GLY 26 77.101 22.003 -4.919 198 HA3 GLY 26 HA1 GLY 26 77.503 21.647 -3.239 199 HA PRO 27 HA PRO 27 80.618 18.667 -4.071 200 HB2 PRO 27 HB2 PRO 27 78.784 16.394 -3.416 201 HB3 PRO 27 HB1 PRO 27 80.400 16.758 -2.779 202 HG2 PRO 27 HG2 PRO 27 78.195 17.225 -1.355 203 HG3 PRO 27 HG1 PRO 27 79.607 18.290 -1.267 204 HD2 PRO 27 HD2 PRO 27 76.975 18.767 -2.577 205 HD3 PRO 27 HD1 PRO 27 78.123 19.936 -1.889 206 HA PRO 28 HA PRO 28 80.301 17.379 -8.314 207 HB2 PRO 28 HB2 PRO 28 81.646 14.871 -7.362 208 HB3 PRO 28 HB1 PRO 28 82.049 15.909 -8.744 209 HG2 PRO 28 HG2 PRO 28 83.427 15.993 -6.448 210 HG3 PRO 28 HG1 PRO 28 83.166 17.429 -7.450 211 HD2 PRO 28 HD2 PRO 28 81.997 16.760 -4.816 212 HD3 PRO 28 HD1 PRO 28 82.159 18.342 -5.607 213 H LYS 29 HN LYS 29 79.120 15.838 -9.639 214 HA LYS 29 HA LYS 29 76.782 14.735 -8.409 215 HB2 LYS 29 HB2 LYS 29 78.030 14.103 -11.104 216 HB3 LYS 29 HB1 LYS 29 76.391 13.671 -10.618 217 HG2 LYS 29 HG2 LYS 29 77.246 16.534 -10.383 218 HG3 LYS 29 HG1 LYS 29 76.841 15.902 -11.979 219 HD2 LYS 29 HD2 LYS 29 74.974 15.332 -9.710 220 HD3 LYS 29 HD1 LYS 29 74.962 16.946 -10.421 221 HE2 LYS 29 HE2 LYS 29 74.462 16.071 -12.603 222 HE3 LYS 29 HE1 LYS 29 74.744 14.414 -12.067 223 HZ1 LYS 29 HZ1 LYS 29 72.740 15.979 -10.630 224 HZ2 LYS 29 HZ2 LYS 29 72.767 14.320 -10.994 225 HZ3 LYS 29 HZ3 LYS 29 72.338 15.447 -12.190 226 H1U RCY 30 H1U RCY 30 76.871 3.798 -10.887 227 H1S RCY 30 H1S RCY 30 76.547 7.814 -11.372 228 HB1 RCY 30 HB1 RCY 30 76.984 10.585 -7.839 229 HB2 RCY 30 HB2 RCY 30 77.871 9.081 -8.079 230 HA RCY 30 HA RCY 30 79.463 10.816 -8.444 231 HN1 RCY 30 HN1 RCY 30 78.016 12.352 -10.456 232 H LYS 31 HN LYS 31 79.720 11.760 -11.251 233 HA LYS 31 HA LYS 31 80.325 9.107 -12.482 234 HB2 LYS 31 HB2 LYS 31 78.880 11.446 -13.747 235 HB3 LYS 31 HB1 LYS 31 79.666 10.192 -14.706 236 HG2 LYS 31 HG2 LYS 31 78.254 8.484 -13.795 237 HG3 LYS 31 HG1 LYS 31 77.630 9.572 -12.555 238 HD2 LYS 31 HD2 LYS 31 76.528 10.937 -14.246 239 HD3 LYS 31 HD1 LYS 31 77.232 9.961 -15.535 240 HE2 LYS 31 HE2 LYS 31 76.053 7.959 -14.552 241 HE3 LYS 31 HE1 LYS 31 75.222 9.062 -13.455 242 HZ1 LYS 31 HZ1 LYS 31 74.161 10.131 -15.229 243 HZ2 LYS 31 HZ2 LYS 31 74.038 8.476 -15.591 244 HZ3 LYS 31 HZ3 LYS 31 75.187 9.439 -16.389 245 H GLN 32 HN GLN 32 81.676 9.761 -14.665 246 HA GLN 32 HA GLN 32 83.805 10.486 -15.347 247 HB2 GLN 32 HB2 GLN 32 83.089 13.065 -13.938 248 HB3 GLN 32 HB1 GLN 32 84.107 12.853 -15.363 249 HG2 GLN 32 HG2 GLN 32 82.138 12.057 -16.639 250 HG3 GLN 32 HG1 GLN 32 81.124 12.318 -15.219 251 HE21 GLN 32 HE21 GLN 32 83.743 14.346 -16.654 252 HE22 GLN 32 HE22 GLN 32 82.777 15.731 -16.821 253 H ARG 33 HN ARG 33 83.153 9.753 -12.287 254 HA ARG 33 HA ARG 33 85.434 10.966 -10.921 255 HE ARG 33 HE ARG 33 81.151 6.277 -9.595 256 HB2 ARG 33 HB2 ARG 33 84.800 9.475 -9.057 257 HB3 ARG 33 HB1 ARG 33 83.393 10.335 -9.680 258 HG2 ARG 33 HG2 ARG 33 83.002 8.287 -11.177 259 HG3 ARG 33 HG1 ARG 33 84.176 7.455 -10.156 260 HD2 ARG 33 HD2 ARG 33 82.739 8.262 -8.168 261 HD3 ARG 33 HD1 ARG 33 81.497 8.603 -9.373 262 HH11 ARG 33 HH21 ARG 33 84.125 7.016 -8.016 263 HH12 ARG 33 HH22 ARG 33 84.466 5.370 -7.597 264 HH21 ARG 33 HH11 ARG 33 81.578 4.123 -9.057 265 HH22 ARG 33 HH12 ARG 33 83.024 3.732 -8.187 266 H GLN 34 HN GLN 34 86.015 8.295 -9.581 267 HA GLN 34 HA GLN 34 87.482 6.923 -11.783 268 HB2 GLN 34 HB2 GLN 34 88.695 7.930 -9.192 269 HB3 GLN 34 HB1 GLN 34 89.499 6.807 -10.290 270 HG2 GLN 34 HG2 GLN 34 89.123 8.548 -12.123 271 HG3 GLN 34 HG1 GLN 34 88.685 9.669 -10.833 272 HE21 GLN 34 HE21 GLN 34 90.550 11.028 -10.910 273 HE22 GLN 34 HE22 GLN 34 92.120 10.466 -10.590 274 H THR 35 HN THR 35 88.052 4.713 -11.235 275 HA THR 35 HA THR 35 86.096 3.484 -9.433 276 HB THR 35 HB THR 35 86.661 2.428 -11.594 277 HG1 THR 35 HG1 THR 35 87.614 0.911 -9.398 278 HG21 THR 35 HG21 THR 35 89.358 1.720 -10.470 279 HG22 THR 35 HG22 THR 35 89.132 3.236 -11.341 280 HG23 THR 35 HG23 THR 35 88.816 1.700 -12.148 281 H ARG 36 HN ARG 36 89.662 3.631 -9.622 282 HA ARG 36 HA ARG 36 91.248 3.538 -7.897 283 HE ARG 36 HE ARG 36 92.938 4.656 -7.915 284 HB2 ARG 36 HB2 ARG 36 89.278 4.901 -6.732 285 HB3 ARG 36 HB1 ARG 36 89.110 3.416 -5.799 286 HG2 ARG 36 HG2 ARG 36 90.645 4.813 -4.591 287 HG3 ARG 36 HG1 ARG 36 91.608 3.545 -5.350 288 HD2 ARG 36 HD2 ARG 36 91.193 5.964 -7.003 289 HD3 ARG 36 HD1 ARG 36 92.178 6.201 -5.559 290 HH11 ARG 36 HH21 ARG 36 93.285 5.128 -4.517 291 HH12 ARG 36 HH22 ARG 36 94.865 4.423 -4.445 292 HH21 ARG 36 HH11 ARG 36 95.000 3.733 -7.841 293 HH22 ARG 36 HH12 ARG 36 95.836 3.633 -6.327 294 H GLN 37 HN GLN 37 88.391 1.483 -7.549 295 HA GLN 37 HA GLN 37 89.942 -0.929 -7.548 296 HB2 GLN 37 HB2 GLN 37 90.612 -0.354 -5.311 297 HB3 GLN 37 HB1 GLN 37 88.961 0.077 -4.864 298 HG2 GLN 37 HG2 GLN 37 88.238 -2.181 -4.909 299 HG3 GLN 37 HG1 GLN 37 89.666 -2.705 -5.803 300 HE21 GLN 37 HE21 GLN 37 88.548 -1.618 -2.595 301 HE22 GLN 37 HE22 GLN 37 89.894 -2.207 -1.745 302 H1U RCY 38 H1U RCY 38 81.741 0.900 -3.951 303 H1S RCY 38 H1S RCY 38 82.435 -1.947 -6.710 304 HB1 RCY 38 HB1 RCY 38 85.368 -0.631 -9.839 305 HB2 RCY 38 HB2 RCY 38 85.454 -0.285 -8.112 306 HA RCY 38 HA RCY 38 85.988 -2.821 -7.863 307 HN1 RCY 38 HN1 RCY 38 88.361 -1.652 -9.004 308 H LYS 39 HN LYS 39 84.814 -2.088 -10.754 309 HA LYS 39 HA LYS 39 85.274 -4.556 -11.985 310 HB2 LYS 39 HB2 LYS 39 84.794 -3.299 -14.164 311 HB3 LYS 39 HB1 LYS 39 83.574 -3.151 -12.898 312 HG2 LYS 39 HG2 LYS 39 84.301 -0.970 -12.300 313 HG3 LYS 39 HG1 LYS 39 85.815 -1.147 -13.186 314 HD2 LYS 39 HD2 LYS 39 84.502 -1.287 -15.310 315 HD3 LYS 39 HD1 LYS 39 83.036 -0.962 -14.384 316 HE2 LYS 39 HE2 LYS 39 85.438 0.876 -14.321 317 HE3 LYS 39 HE1 LYS 39 84.125 1.070 -15.483 318 HZ1 LYS 39 HZ1 LYS 39 82.667 0.923 -13.351 319 HZ2 LYS 39 HZ2 LYS 39 83.414 2.389 -13.775 320 HZ3 LYS 39 HZ3 LYS 39 84.092 1.406 -12.567 321 H SER 40 HN SER 40 87.366 -1.757 -11.850 322 HA SER 40 HA SER 40 89.104 -2.513 -14.022 323 HG SER 40 HG SER 40 89.988 0.546 -13.787 324 HB2 SER 40 HB2 SER 40 89.327 -0.661 -11.667 325 HB3 SER 40 HB1 SER 40 90.767 -1.040 -12.609 326 H LYS 41 HN LYS 41 89.372 -2.951 -10.474 327 HA LYS 41 HA LYS 41 91.720 -4.672 -10.812 328 HB2 LYS 41 HB2 LYS 41 90.062 -3.782 -8.453 329 HB3 LYS 41 HB1 LYS 41 91.281 -5.045 -8.279 330 HG2 LYS 41 HG2 LYS 41 92.985 -3.503 -9.222 331 HG3 LYS 41 HG1 LYS 41 91.762 -2.236 -9.316 332 HD2 LYS 41 HD2 LYS 41 92.083 -1.717 -7.153 333 HD3 LYS 41 HD1 LYS 41 91.732 -3.379 -6.677 334 HE2 LYS 41 HE2 LYS 41 94.426 -2.446 -7.705 335 HE3 LYS 41 HE1 LYS 41 94.023 -2.605 -5.995 336 HZ1 LYS 41 HZ1 LYS 41 94.143 -4.741 -8.044 337 HZ2 LYS 41 HZ2 LYS 41 93.395 -4.963 -6.535 338 HZ3 LYS 41 HZ3 LYS 41 95.054 -4.608 -6.619 339 HA PRO 42 HA PRO 42 89.493 -8.468 -11.271 340 HB2 PRO 42 HB2 PRO 42 91.248 -10.234 -10.109 341 HB3 PRO 42 HB1 PRO 42 91.502 -9.512 -11.710 342 HG2 PRO 42 HG2 PRO 42 92.690 -8.756 -9.089 343 HG3 PRO 42 HG1 PRO 42 93.436 -8.812 -10.696 344 HD2 PRO 42 HD2 PRO 42 92.617 -6.478 -9.527 345 HD3 PRO 42 HD1 PRO 42 92.640 -6.719 -11.289 346 HA PRO 43 HA PRO 43 87.353 -9.331 -7.486 347 HB2 PRO 43 HB2 PRO 43 86.516 -11.900 -7.879 348 HB3 PRO 43 HB1 PRO 43 85.835 -10.520 -8.762 349 HG2 PRO 43 HG2 PRO 43 87.862 -12.511 -9.649 350 HG3 PRO 43 HG1 PRO 43 86.517 -11.789 -10.549 351 HD2 PRO 43 HD2 PRO 43 89.120 -10.949 -10.807 352 HD3 PRO 43 HD1 PRO 43 87.721 -9.890 -11.087 353 H LYS 44 HN LYS 44 88.253 -9.693 -5.507 354 HA LYS 44 HA LYS 44 90.173 -11.974 -5.205 355 HB2 LYS 44 HB2 LYS 44 89.993 -9.263 -3.892 356 HB3 LYS 44 HB1 LYS 44 90.857 -10.586 -3.110 357 HG2 LYS 44 HG2 LYS 44 92.204 -10.873 -5.204 358 HG3 LYS 44 HG1 LYS 44 91.413 -9.440 -5.861 359 HD2 LYS 44 HD2 LYS 44 92.291 -8.072 -4.040 360 HD3 LYS 44 HD1 LYS 44 93.001 -9.495 -3.278 361 HE2 LYS 44 HE2 LYS 44 94.748 -8.349 -4.506 362 HE3 LYS 44 HE1 LYS 44 94.368 -9.845 -5.359 363 HZ1 LYS 44 HZ1 LYS 44 92.633 -7.967 -6.364 364 HZ2 LYS 44 HZ2 LYS 44 94.006 -8.600 -7.138 365 HZ3 LYS 44 HZ3 LYS 44 94.119 -7.157 -6.249 366 H LYS 45 HN LYS 45 87.058 -11.470 -4.785 367 HA LYS 45 HA LYS 45 86.809 -13.398 -2.636 368 HB2 LYS 45 HB2 LYS 45 85.383 -11.739 -1.228 369 HB3 LYS 45 HB1 LYS 45 87.138 -11.642 -1.097 370 HG2 LYS 45 HG2 LYS 45 87.171 -9.819 -2.754 371 HG3 LYS 45 HG1 LYS 45 85.416 -9.917 -2.903 372 HD2 LYS 45 HD2 LYS 45 86.627 -9.537 -0.185 373 HD3 LYS 45 HD1 LYS 45 86.500 -8.151 -1.269 374 HE2 LYS 45 HE2 LYS 45 84.211 -9.953 -0.422 375 HE3 LYS 45 HE1 LYS 45 84.500 -8.312 0.156 376 HZ1 LYS 45 HZ1 LYS 45 83.119 -7.806 -1.530 377 HZ2 LYS 45 HZ2 LYS 45 83.461 -9.226 -2.399 378 HZ3 LYS 45 HZ3 LYS 45 84.532 -7.909 -2.464 379 H GLY 46 HN GLY 46 85.165 -10.830 -4.487 380 HA2 GLY 46 HA2 GLY 46 82.677 -12.443 -4.513 381 HA3 GLY 46 HA1 GLY 46 82.840 -10.792 -5.116 382 H VAL 47 HN VAL 47 83.087 -14.154 -5.931 383 HA VAL 47 HA VAL 47 84.506 -13.854 -8.419 384 HB VAL 47 HB VAL 47 83.556 -16.102 -8.948 385 HG11 VAL 47 HG11 VAL 47 84.489 -15.917 -6.071 386 HG12 VAL 47 HG12 VAL 47 85.571 -15.757 -7.455 387 HG13 VAL 47 HG13 VAL 47 84.708 -17.270 -7.181 388 HG21 VAL 47 HG21 VAL 47 82.292 -17.059 -6.813 389 HG22 VAL 47 HG22 VAL 47 81.406 -16.209 -8.078 390 HG23 VAL 47 HG23 VAL 47 81.853 -15.365 -6.596 391 H GLN 48 HN GLN 48 83.688 -12.351 -9.826 392 HA GLN 48 HA GLN 48 81.908 -11.061 -10.846 393 HB2 GLN 48 HB2 GLN 48 81.011 -12.891 -12.654 394 HB3 GLN 48 HB1 GLN 48 82.570 -12.081 -12.780 395 HG2 GLN 48 HG2 GLN 48 82.231 -14.664 -11.246 396 HG3 GLN 48 HG1 GLN 48 82.597 -14.642 -12.972 397 HE21 GLN 48 HE21 GLN 48 84.252 -15.312 -10.379 398 HE22 GLN 48 HE22 GLN 48 85.702 -14.466 -10.632 399 H GLY 49 HN GLY 49 80.238 -10.668 -9.354 400 HA2 GLY 49 HA2 GLY 49 77.872 -10.760 -8.975 401 HA3 GLY 49 HA1 GLY 49 77.835 -12.349 -9.742 402 H1U RCY 50 H1U RCY 50 78.269 -9.363 0.163 403 H1S RCY 50 H1S RCY 50 79.276 -9.666 -4.045 404 HB1 RCY 50 HB1 RCY 50 80.270 -11.397 -4.556 405 HB2 RCY 50 HB2 RCY 50 79.268 -12.595 -3.739 406 HA RCY 50 HA RCY 50 80.783 -13.435 -5.649 407 HN1 RCY 50 HN1 RCY 50 80.398 -12.089 -7.564 408 H GLY 51 HN GLY 51 77.394 -13.192 -4.817 409 HA2 GLY 51 HA2 GLY 51 75.668 -14.838 -5.044 410 HA3 GLY 51 HA1 GLY 51 76.842 -15.932 -5.778 411 H ASP 52 HN ASP 52 76.560 -14.218 -2.641 412 HA ASP 52 HA ASP 52 76.782 -16.841 -1.262 413 HB2 ASP 52 HB2 ASP 52 79.089 -16.062 -1.396 414 HB3 ASP 52 HB1 ASP 52 78.621 -14.476 -0.781 415 H ASP 53 HN ASP 53 76.888 -13.369 -0.368 416 HA ASP 53 HA ASP 53 74.937 -13.889 1.780 417 HB2 ASP 53 HB2 ASP 53 76.478 -11.435 0.906 418 HB3 ASP 53 HB1 ASP 53 75.263 -11.388 2.184 419 H ILE 54 HN ILE 54 73.587 -14.485 -0.421 420 HA ILE 54 HA ILE 54 71.861 -12.088 -0.923 421 HB ILE 54 HB ILE 54 72.600 -14.266 -2.904 422 HG12 ILE 54 HG12 ILE 54 73.515 -12.165 -4.121 423 HG13 ILE 54 HG11 ILE 54 73.444 -11.391 -2.537 424 HG21 ILE 54 HG21 ILE 54 70.352 -13.578 -3.345 425 HG22 ILE 54 HG22 ILE 54 71.360 -12.682 -4.481 426 HG23 ILE 54 HG23 ILE 54 70.737 -11.885 -3.037 427 HD11 ILE 54 HD11 ILE 54 74.648 -13.999 -2.284 428 HD12 ILE 54 HD12 ILE 54 75.339 -12.423 -1.899 429 HD13 ILE 54 HD13 ILE 54 75.489 -13.077 -3.530 430 HA PRO 55 HA PRO 55 69.315 -15.594 0.668 431 HB2 PRO 55 HB2 PRO 55 68.208 -14.331 2.784 432 HB3 PRO 55 HB1 PRO 55 69.847 -15.009 2.852 433 HG2 PRO 55 HG2 PRO 55 68.983 -12.188 2.550 434 HG3 PRO 55 HG1 PRO 55 70.379 -12.859 3.407 435 HD2 PRO 55 HD2 PRO 55 70.440 -11.702 0.848 436 HD3 PRO 55 HD1 PRO 55 71.710 -12.725 1.552 437 H GLY 56 HN GLY 56 68.500 -12.228 0.007 438 HA2 GLY 56 HA2 GLY 56 65.624 -12.760 -0.148 439 HA3 GLY 56 HA1 GLY 56 66.420 -11.243 -0.565 440 H MET 57 HN MET 57 68.349 -12.838 -2.311 441 HA MET 57 HA MET 57 68.477 -13.181 -4.637 442 HB2 MET 57 HB2 MET 57 67.355 -15.307 -3.616 443 HB3 MET 57 HB1 MET 57 65.880 -14.690 -4.359 444 HG2 MET 57 HG2 MET 57 68.478 -15.123 -5.861 445 HG3 MET 57 HG1 MET 57 67.151 -16.284 -5.830 446 HE1 MET 57 HE1 MET 57 64.685 -15.496 -6.206 447 HE2 MET 57 HE2 MET 57 65.371 -16.333 -7.596 448 HE3 MET 57 HE3 MET 57 64.378 -14.898 -7.842 449 H GLU 58 HN GLU 58 67.974 -10.885 -5.043 450 HA GLU 58 HA GLU 58 65.348 -10.594 -6.435 451 HB2 GLU 58 HB2 GLU 58 65.481 -9.477 -4.094 452 HB3 GLU 58 HB1 GLU 58 66.567 -8.322 -4.868 453 HG2 GLU 58 HG2 GLU 58 64.365 -7.389 -5.031 454 HG3 GLU 58 HG1 GLU 58 64.768 -7.995 -6.638 455 H GLY 59 HN GLY 59 68.342 -8.686 -5.860 456 HA2 GLY 59 HA2 GLY 59 69.005 -8.813 -8.711 457 HA3 GLY 59 HA1 GLY 59 68.456 -7.223 -8.183 458 H1U RCY 60 H1U RCY 60 75.375 -2.181 -4.914 459 H1S RCY 60 H1S RCY 60 74.806 -3.694 -8.716 460 HB1 RCY 60 HB1 RCY 60 73.586 -6.132 -6.622 461 HB2 RCY 60 HB2 RCY 60 71.959 -5.857 -7.242 462 HA RCY 60 HA RCY 60 73.431 -8.183 -8.374 463 HN1 RCY 60 HN1 RCY 60 71.187 -8.479 -8.991 464 H GLY 61 HN GLY 61 72.048 -7.116 -5.294 465 HA2 GLY 61 HA2 GLY 61 72.768 -9.676 -4.009 466 HA3 GLY 61 HA1 GLY 61 73.644 -8.245 -3.456 467 H THR 62 HN THR 62 70.250 -8.594 -4.447 468 HA THR 62 HA THR 62 68.297 -7.893 -3.354 469 HB THR 62 HB THR 62 68.201 -8.647 -0.923 470 HG1 THR 62 HG1 THR 62 70.067 -10.146 -0.549 471 HG21 THR 62 HG21 THR 62 68.906 -10.453 -3.226 472 HG22 THR 62 HG22 THR 62 67.334 -10.181 -2.476 473 HG23 THR 62 HG23 THR 62 68.561 -11.125 -1.633 474 H ASP 63 HN ASP 63 70.627 -5.996 -3.465 475 HA ASP 63 HA ASP 63 70.738 -4.527 -1.003 476 HB2 ASP 63 HB2 ASP 63 71.472 -2.619 -2.516 477 HB3 ASP 63 HB1 ASP 63 72.430 -4.093 -2.657 478 H ILE 64 HN ILE 64 68.257 -4.907 -0.764 479 HA ILE 64 HA ILE 64 66.908 -2.380 -1.506 480 HB ILE 64 HB ILE 64 65.940 -5.154 -2.223 481 HG12 ILE 64 HG12 ILE 64 66.035 -2.578 -3.822 482 HG13 ILE 64 HG11 ILE 64 67.304 -3.803 -3.859 483 HG21 ILE 64 HG21 ILE 64 64.378 -2.601 -1.814 484 HG22 ILE 64 HG22 ILE 64 64.042 -4.202 -1.157 485 HG23 ILE 64 HG23 ILE 64 63.797 -3.885 -2.874 486 HD11 ILE 64 HD11 ILE 64 65.675 -5.481 -4.632 487 HD12 ILE 64 HD12 ILE 64 65.720 -4.104 -5.733 488 HD13 ILE 64 HD13 ILE 64 64.395 -4.269 -4.581 489 H THR 65 HN THR 65 67.153 -5.288 0.399 490 HA THR 65 HA THR 65 65.526 -3.965 2.536 491 HB THR 65 HB THR 65 65.515 -6.923 1.869 492 HG1 THR 65 HG1 THR 65 64.206 -6.220 0.377 493 HG21 THR 65 HG21 THR 65 64.065 -5.207 3.890 494 HG22 THR 65 HG22 THR 65 65.081 -6.616 4.194 495 HG23 THR 65 HG23 THR 65 63.500 -6.814 3.436 496 H VAL 66 HN VAL 66 68.137 -6.146 1.628 497 HA VAL 66 HA VAL 66 68.939 -6.653 4.382 498 HB VAL 66 HB VAL 66 71.121 -7.399 3.068 499 HG11 VAL 66 HG11 VAL 66 69.612 -8.957 4.171 500 HG12 VAL 66 HG12 VAL 66 69.969 -9.564 2.554 501 HG13 VAL 66 HG13 VAL 66 68.426 -8.775 2.879 502 HG21 VAL 66 HG21 VAL 66 69.058 -7.550 0.864 503 HG22 VAL 66 HG22 VAL 66 70.793 -7.844 0.756 504 HG23 VAL 66 HG23 VAL 66 70.190 -6.202 0.983 505 H ILE 67 HN ILE 67 70.210 -4.575 1.724 506 HA ILE 67 HA ILE 67 71.508 -2.958 3.888 507 HB ILE 67 HB ILE 67 72.848 -3.611 1.256 508 HG12 ILE 67 HG12 ILE 67 73.542 -4.664 4.011 509 HG13 ILE 67 HG11 ILE 67 72.563 -5.571 2.857 510 HG21 ILE 67 HG21 ILE 67 73.761 -2.216 3.790 511 HG22 ILE 67 HG22 ILE 67 73.548 -1.481 2.201 512 HG23 ILE 67 HG23 ILE 67 74.831 -2.663 2.461 513 HD11 ILE 67 HD11 ILE 67 74.336 -5.883 1.387 514 HD12 ILE 67 HD12 ILE 67 75.184 -5.913 2.933 515 HD13 ILE 67 HD13 ILE 67 75.191 -4.448 1.953 516 H1U RCY 68 H1U RCY 68 73.125 1.419 -1.132 517 H1S RCY 68 H1S RCY 68 70.053 -1.391 -0.275 518 HB1 RCY 68 HB1 RCY 68 67.698 0.911 1.577 519 HB2 RCY 68 HB2 RCY 68 67.625 -0.470 2.659 520 HA RCY 68 HA RCY 68 70.158 0.296 1.191 521 HN1 RCY 68 HN1 RCY 68 69.816 -1.426 3.608 522 HA PRO 69 HA PRO 69 70.954 3.926 3.597 523 HB2 PRO 69 HB2 PRO 69 68.026 4.619 3.509 524 HB3 PRO 69 HB1 PRO 69 69.436 5.691 3.358 525 HG2 PRO 69 HG2 PRO 69 68.128 4.844 1.208 526 HG3 PRO 69 HG1 PRO 69 69.896 4.967 1.200 527 HD2 PRO 69 HD2 PRO 69 68.193 2.530 1.235 528 HD3 PRO 69 HD1 PRO 69 69.868 2.727 0.673 529 H TRP 70 HN TRP 70 68.035 2.151 4.694 530 HA TRP 70 HA TRP 70 68.349 3.142 7.419 531 HD1 TRP 70 HD1 TRP 70 68.217 -0.716 6.253 532 HE1 TRP 70 HE1 TRP 70 67.153 -1.978 4.274 533 HE3 TRP 70 HE3 TRP 70 64.268 2.366 5.263 534 HZ2 TRP 70 HZ2 TRP 70 64.918 -1.715 2.502 535 HZ3 TRP 70 HZ3 TRP 70 62.691 1.839 3.430 536 HH2 TRP 70 HH2 TRP 70 63.008 -0.193 2.049 537 HB2 TRP 70 HB2 TRP 70 66.731 1.227 7.961 538 HB3 TRP 70 HB1 TRP 70 66.133 2.493 6.896 539 H GLU 71 HN GLU 71 70.440 1.455 5.783 540 HA GLU 71 HA GLU 71 71.321 -0.115 8.152 541 HB2 GLU 71 HB2 GLU 71 70.732 -1.148 5.398 542 HB3 GLU 71 HB1 GLU 71 72.123 -1.819 6.248 543 HG2 GLU 71 HG2 GLU 71 69.626 -1.585 7.839 544 HG3 GLU 71 HG1 GLU 71 69.605 -2.784 6.545 545 H ALA 72 HN ALA 72 71.928 2.273 6.054 546 HA ALA 72 HA ALA 72 74.527 1.816 5.030 547 HB1 ALA 72 HB1 ALA 72 73.295 3.738 4.284 548 HB2 ALA 72 HB2 ALA 72 74.727 4.341 5.120 549 HB3 ALA 72 HB3 ALA 72 73.160 4.363 5.928 550 H1U RCY 73 H1U RCY 73 75.800 1.765 3.107 551 H1S RCY 73 H1S RCY 73 74.527 -1.284 6.680 552 HB1 RCY 73 HB1 RCY 73 77.651 0.019 9.653 553 HB2 RCY 73 HB2 RCY 73 78.041 -0.028 7.935 554 HA RCY 73 HA RCY 73 76.083 1.759 9.370 555 HN1 RCY 73 HN1 RCY 73 75.580 0.639 6.787 556 H ASN 74 HN ASN 74 76.689 3.374 6.747 557 HA ASN 74 HA ASN 74 78.204 5.066 6.175 558 HB2 ASN 74 HB2 ASN 74 78.006 5.424 8.742 559 HB3 ASN 74 HB1 ASN 74 79.577 4.628 8.828 560 HD21 ASN 74 HD21 ASN 74 79.999 5.899 5.951 561 HD22 ASN 74 HD22 ASN 74 80.523 7.469 6.325 562 H HIS 75 HN HIS 75 80.995 4.595 7.744 563 HA HIS 75 HA HIS 75 82.089 2.941 5.529 564 HD1 HIS 75 HD1 HIS 75 83.802 1.780 5.373 565 HD2 HIS 75 HD2 HIS 75 86.145 5.192 5.885 566 HE1 HIS 75 HE1 HIS 75 86.018 1.302 4.243 567 HE2 HIS 75 HE2 HIS 75 87.453 3.372 4.547 568 HB2 HIS 75 HB2 HIS 75 83.092 5.196 6.179 569 HB3 HIS 75 HB1 HIS 75 83.647 4.418 7.662 570 H1U RCY 76 H1U RCY 76 78.256 -5.150 4.733 571 H1S RCY 76 H1S RCY 76 81.318 -2.889 6.449 572 HB1 RCY 76 HB1 RCY 76 82.091 -1.605 8.820 573 HB2 RCY 76 HB2 RCY 76 83.414 -0.566 8.290 574 HA RCY 76 HA RCY 76 80.794 0.189 9.554 575 HN1 RCY 76 HN1 RCY 76 80.668 2.121 8.222 576 H GLU 77 HN GLU 77 83.949 1.768 9.002 577 HA GLU 77 HA GLU 77 84.947 1.116 11.643 578 HB2 GLU 77 HB2 GLU 77 86.318 1.740 9.557 579 HB3 GLU 77 HB1 GLU 77 85.895 3.413 9.921 580 HG2 GLU 77 HG2 GLU 77 87.982 3.059 11.007 581 HG3 GLU 77 HG1 GLU 77 86.776 2.954 12.290 582 H LEU 78 HN LEU 78 83.264 3.883 10.218 583 HA LEU 78 HA LEU 78 83.364 5.332 12.805 584 HG LEU 78 HG LEU 78 84.378 7.284 12.039 585 HB2 LEU 78 HB2 LEU 78 82.510 6.033 10.000 586 HB3 LEU 78 HB1 LEU 78 81.999 7.032 11.358 587 HD11 LEU 78 HD11 LEU 78 85.400 5.312 11.181 588 HD12 LEU 78 HD12 LEU 78 86.066 6.630 10.217 589 HD13 LEU 78 HD13 LEU 78 84.787 5.611 9.554 590 HD21 LEU 78 HD21 LEU 78 85.061 8.585 9.890 591 HD22 LEU 78 HD22 LEU 78 83.598 9.089 10.736 592 HD23 LEU 78 HD23 LEU 78 83.479 8.103 9.279 593 H HIS 79 HN HIS 79 80.686 4.942 10.477 594 HA HIS 79 HA HIS 79 78.548 3.991 10.806 595 HD1 HIS 79 HD1 HIS 79 76.445 3.799 11.770 596 HD2 HIS 79 HD2 HIS 79 78.255 0.305 13.154 597 HE1 HIS 79 HE1 HIS 79 74.695 1.975 11.610 598 HE2 HIS 79 HE2 HIS 79 75.784 -0.157 12.450 599 HB2 HIS 79 HB2 HIS 79 79.891 2.584 12.626 600 HB3 HIS 79 HB1 HIS 79 78.991 3.610 13.743 601 H GLU 80 HN GLU 80 79.209 6.818 11.078 602 HA GLU 80 HA GLU 80 76.717 7.711 12.195 603 HB2 GLU 80 HB2 GLU 80 77.326 8.732 14.204 604 HB3 GLU 80 HB1 GLU 80 78.264 7.244 14.255 605 HG2 GLU 80 HG2 GLU 80 79.267 9.967 13.366 606 HG3 GLU 80 HG1 GLU 80 79.710 9.125 14.851 607 H LEU 81 HN LEU 81 79.512 8.131 10.408 608 HA LEU 81 HA LEU 81 79.089 11.059 10.071 609 HG LEU 81 HG LEU 81 82.554 11.580 9.602 610 HB2 LEU 81 HB2 LEU 81 81.397 9.472 10.149 611 HB3 LEU 81 HB1 LEU 81 81.205 9.855 8.443 612 HD11 LEU 81 HD11 LEU 81 80.794 12.053 7.726 613 HD12 LEU 81 HD12 LEU 81 81.491 13.416 8.602 614 HD13 LEU 81 HD13 LEU 81 79.880 12.832 9.018 615 HD21 LEU 81 HD21 LEU 81 81.930 12.521 11.577 616 HD22 LEU 81 HD22 LEU 81 80.835 11.144 11.706 617 HD23 LEU 81 HD23 LEU 81 80.248 12.681 11.071 618 H ALA 82 HN ALA 82 77.477 8.613 8.975 619 HA ALA 82 HA ALA 82 77.790 8.674 6.113 620 HB1 ALA 82 HB1 ALA 82 76.638 6.838 7.332 621 HB2 ALA 82 HB2 ALA 82 75.628 7.522 6.059 622 HB3 ALA 82 HB3 ALA 82 75.335 7.953 7.743 623 H GLN 83 HN GLN 83 77.288 11.273 7.781 624 HA GLN 83 HA GLN 83 74.820 12.425 7.053 625 HB2 GLN 83 HB2 GLN 83 76.646 13.416 8.548 626 HB3 GLN 83 HB1 GLN 83 77.441 13.936 7.062 627 HG2 GLN 83 HG2 GLN 83 76.087 15.778 7.814 628 HG3 GLN 83 HG1 GLN 83 75.273 15.076 6.416 629 HE21 GLN 83 HE21 GLN 83 73.347 16.237 7.592 630 HE22 GLN 83 HE22 GLN 83 72.503 15.315 8.740 631 H TYR 84 HN TYR 84 77.806 12.075 5.183 632 HA TYR 84 HA TYR 84 76.303 12.393 2.695 633 HD1 TYR 84 HD1 TYR 84 79.749 13.377 4.305 634 HD2 TYR 84 HD2 TYR 84 76.606 16.305 4.292 635 HE1 TYR 84 HE1 TYR 84 80.703 14.410 6.347 636 HE2 TYR 84 HE2 TYR 84 77.561 17.339 6.334 637 HH TYR 84 HH TYR 84 80.394 15.922 7.957 638 HB2 TYR 84 HB2 TYR 84 78.247 14.222 2.113 639 HB3 TYR 84 HB1 TYR 84 76.626 14.662 2.650 640 H GLY 85 HN GLY 85 78.925 11.315 4.525 641 HA2 GLY 85 HA2 GLY 85 80.633 9.795 3.994 642 HA3 GLY 85 HA1 GLY 85 79.879 9.604 2.411 643 H ILE 86 HN ILE 86 82.204 11.495 4.262 644 HA ILE 86 HA ILE 86 82.968 13.081 1.899 645 HB ILE 86 HB ILE 86 84.877 13.756 3.594 646 HG12 ILE 86 HG12 ILE 86 84.208 13.455 5.936 647 HG13 ILE 86 HG11 ILE 86 82.771 12.565 5.429 648 HG21 ILE 86 HG21 ILE 86 83.188 15.332 2.964 649 HG22 ILE 86 HG22 ILE 86 83.204 15.312 4.727 650 HG23 ILE 86 HG23 ILE 86 81.942 14.450 3.847 651 HD11 ILE 86 HD11 ILE 86 85.535 11.672 4.611 652 HD12 ILE 86 HD12 ILE 86 84.042 10.734 4.637 653 HD13 ILE 86 HD13 ILE 86 84.830 11.179 6.151 654 H1U RCY 87 H1U RCY 87 86.026 1.136 0.963 655 H1S RCY 87 H1S RCY 87 86.003 4.939 2.275 656 HB1 RCY 87 HB1 RCY 87 83.822 7.858 1.482 657 HB2 RCY 87 HB2 RCY 87 84.786 7.699 2.949 658 HA RCY 87 HA RCY 87 86.189 9.542 2.331 659 HN1 RCY 87 HN1 RCY 87 83.346 9.987 2.414 Start of MODEL 64 1 HA MET 1 HA MET 1 58.925 7.539 -1.575 2 HB2 MET 1 HB2 MET 1 60.783 9.677 -2.664 3 HB3 MET 1 HB1 MET 1 60.976 8.809 -1.140 4 HG2 MET 1 HG2 MET 1 62.394 7.672 -2.671 5 HG3 MET 1 HG1 MET 1 60.954 6.661 -2.549 6 HE1 MET 1 HE1 MET 1 61.205 5.393 -4.497 7 HE2 MET 1 HE2 MET 1 60.504 5.894 -6.034 8 HE3 MET 1 HE3 MET 1 59.528 5.948 -4.569 9 H ASN 2 HN ASN 2 58.303 10.643 -3.152 10 HA ASN 2 HA ASN 2 57.056 11.590 -0.596 11 HB2 ASN 2 HB2 ASN 2 58.658 13.166 -2.631 12 HB3 ASN 2 HB1 ASN 2 57.692 13.910 -1.357 13 HD21 ASN 2 HD21 ASN 2 58.722 11.084 0.004 14 HD22 ASN 2 HD22 ASN 2 60.162 11.615 0.729 15 H LEU 3 HN LEU 3 57.109 13.169 -3.763 16 HA LEU 3 HA LEU 3 54.394 12.283 -4.419 17 HG LEU 3 HG LEU 3 52.903 13.853 -5.328 18 HB2 LEU 3 HB2 LEU 3 54.067 14.098 -2.699 19 HB3 LEU 3 HB1 LEU 3 54.868 15.214 -3.803 20 HD11 LEU 3 HD11 LEU 3 51.746 15.007 -2.775 21 HD12 LEU 3 HD12 LEU 3 51.903 13.279 -3.090 22 HD13 LEU 3 HD13 LEU 3 50.853 14.268 -4.105 23 HD21 LEU 3 HD21 LEU 3 51.892 16.159 -5.399 24 HD22 LEU 3 HD22 LEU 3 53.621 16.135 -5.743 25 HD23 LEU 3 HD23 LEU 3 53.045 16.648 -4.157 26 H GLU 4 HN GLU 4 57.409 13.585 -5.200 27 HA GLU 4 HA GLU 4 56.713 14.876 -7.700 28 HB2 GLU 4 HB2 GLU 4 59.261 13.918 -6.416 29 HB3 GLU 4 HB1 GLU 4 59.272 14.388 -8.115 30 HG2 GLU 4 HG2 GLU 4 58.111 16.169 -5.966 31 HG3 GLU 4 HG1 GLU 4 59.813 16.238 -6.425 32 HA PRO 5 HA PRO 5 56.102 11.423 -10.370 33 HB2 PRO 5 HB2 PRO 5 57.650 12.188 -12.570 34 HB3 PRO 5 HB1 PRO 5 55.983 12.704 -12.255 35 HG2 PRO 5 HG2 PRO 5 58.531 14.136 -11.745 36 HG3 PRO 5 HG1 PRO 5 56.958 14.768 -12.260 37 HD2 PRO 5 HD2 PRO 5 57.838 15.043 -9.710 38 HD3 PRO 5 HD1 PRO 5 56.114 14.822 -10.088 39 HA PRO 6 HA PRO 6 60.006 9.245 -9.478 40 HB2 PRO 6 HB2 PRO 6 58.948 6.797 -9.046 41 HB3 PRO 6 HB1 PRO 6 58.811 8.100 -7.848 42 HG2 PRO 6 HG2 PRO 6 56.782 7.087 -9.769 43 HG3 PRO 6 HG1 PRO 6 56.580 7.648 -8.102 44 HD2 PRO 6 HD2 PRO 6 56.037 9.175 -10.376 45 HD3 PRO 6 HD1 PRO 6 56.318 9.834 -8.749 46 H LYS 7 HN LYS 7 61.335 7.895 -10.761 47 HA LYS 7 HA LYS 7 60.512 7.548 -13.530 48 HB2 LYS 7 HB2 LYS 7 62.797 6.284 -13.592 49 HB3 LYS 7 HB1 LYS 7 62.803 8.023 -13.297 50 HG2 LYS 7 HG2 LYS 7 63.172 7.748 -10.978 51 HG3 LYS 7 HG1 LYS 7 62.688 6.052 -11.016 52 HD2 LYS 7 HD2 LYS 7 65.123 6.204 -10.843 53 HD3 LYS 7 HD1 LYS 7 64.682 5.544 -12.418 54 HE2 LYS 7 HE2 LYS 7 66.464 7.364 -12.457 55 HE3 LYS 7 HE1 LYS 7 65.075 7.640 -13.508 56 HZ1 LYS 7 HZ1 LYS 7 64.124 9.104 -11.910 57 HZ2 LYS 7 HZ2 LYS 7 65.732 9.593 -12.157 58 HZ3 LYS 7 HZ3 LYS 7 65.310 8.727 -10.758 59 H ALA 8 HN ALA 8 58.737 6.077 -13.423 60 HA ALA 8 HA ALA 8 58.867 3.547 -12.061 61 HB1 ALA 8 HB1 ALA 8 56.717 4.511 -12.682 62 HB2 ALA 8 HB2 ALA 8 56.906 2.960 -13.499 63 HB3 ALA 8 HB3 ALA 8 57.153 4.462 -14.391 64 H GLU 9 HN GLU 9 60.210 1.911 -12.602 65 HA GLU 9 HA GLU 9 60.573 1.243 -15.478 66 HB2 GLU 9 HB2 GLU 9 62.765 1.856 -13.491 67 HB3 GLU 9 HB1 GLU 9 63.057 0.811 -14.882 68 HG2 GLU 9 HG2 GLU 9 61.839 3.566 -15.154 69 HG3 GLU 9 HG1 GLU 9 63.580 3.290 -15.223 70 H1U RCY 10 H1U RCY 10 61.098 -2.653 -8.949 71 H1S RCY 10 H1S RCY 10 58.587 -4.657 -12.536 72 HB1 RCY 10 HB1 RCY 10 61.524 -3.123 -13.999 73 HB2 RCY 10 HB2 RCY 10 60.578 -2.901 -15.472 74 HA RCY 10 HA RCY 10 58.558 -2.599 -13.856 75 HN1 RCY 10 HN1 RCY 10 59.001 -0.420 -14.603 76 H ARG 11 HN ARG 11 59.532 -4.300 -12.117 77 HA ARG 11 HA ARG 11 59.759 -4.614 -9.800 78 HE ARG 11 HE ARG 11 61.384 -5.185 -5.809 79 HB2 ARG 11 HB2 ARG 11 62.114 -3.774 -10.757 80 HB3 ARG 11 HB1 ARG 11 61.775 -2.400 -9.708 81 HG2 ARG 11 HG2 ARG 11 61.768 -5.308 -8.846 82 HG3 ARG 11 HG1 ARG 11 63.048 -4.144 -8.504 83 HD2 ARG 11 HD2 ARG 11 61.296 -2.707 -7.365 84 HD3 ARG 11 HD1 ARG 11 60.185 -4.068 -7.521 85 HH11 ARG 11 HH21 ARG 11 63.066 -2.441 -7.043 86 HH12 ARG 11 HH22 ARG 11 64.288 -2.471 -5.817 87 HH21 ARG 11 HH11 ARG 11 62.971 -5.242 -4.200 88 HH22 ARG 11 HH12 ARG 11 64.235 -4.057 -4.207 89 H SER 12 HN SER 12 57.536 -3.434 -9.835 90 HA SER 12 HA SER 12 57.659 -1.325 -7.780 91 HG SER 12 HG SER 12 55.405 0.803 -9.791 92 HB2 SER 12 HB2 SER 12 57.665 0.169 -9.594 93 HB3 SER 12 HB1 SER 12 56.652 -0.878 -10.583 94 H ALA 13 HN ALA 13 55.815 -3.556 -9.779 95 HA ALA 13 HA ALA 13 53.311 -3.220 -8.374 96 HB1 ALA 13 HB1 ALA 13 54.273 -5.666 -9.885 97 HB2 ALA 13 HB2 ALA 13 53.564 -4.251 -10.662 98 HB3 ALA 13 HB3 ALA 13 52.602 -5.218 -9.544 99 H THR 14 HN THR 14 56.144 -4.146 -7.130 100 HA THR 14 HA THR 14 55.362 -6.574 -5.714 101 HB THR 14 HB THR 14 57.596 -4.744 -4.848 102 HG1 THR 14 HG1 THR 14 58.825 -6.029 -6.443 103 HG21 THR 14 HG21 THR 14 57.144 -6.746 -3.511 104 HG22 THR 14 HG22 THR 14 58.676 -6.927 -4.366 105 HG23 THR 14 HG23 THR 14 57.234 -7.752 -4.956 106 H ARG 15 HN ARG 15 53.654 -4.123 -5.461 107 HA ARG 15 HA ARG 15 52.506 -2.964 -3.772 108 HE ARG 15 HE ARG 15 50.357 -6.220 -1.945 109 HB2 ARG 15 HB2 ARG 15 52.255 -5.442 -3.098 110 HB3 ARG 15 HB1 ARG 15 53.513 -5.117 -1.906 111 HG2 ARG 15 HG2 ARG 15 51.639 -4.624 -0.638 112 HG3 ARG 15 HG1 ARG 15 51.950 -3.036 -1.341 113 HD2 ARG 15 HD2 ARG 15 49.599 -3.527 -1.635 114 HD3 ARG 15 HD1 ARG 15 50.377 -3.641 -3.214 115 HH11 ARG 15 HH21 ARG 15 48.375 -3.857 -3.486 116 HH12 ARG 15 HH22 ARG 15 47.228 -5.012 -4.078 117 HH21 ARG 15 HH11 ARG 15 48.870 -7.742 -2.709 118 HH22 ARG 15 HH12 ARG 15 47.508 -7.211 -3.638 119 H VAL 16 HN VAL 16 55.086 -1.982 -4.268 120 HA VAL 16 HA VAL 16 56.823 -0.739 -3.288 121 HB VAL 16 HB VAL 16 55.184 -0.242 -0.847 122 HG11 VAL 16 HG11 VAL 16 55.963 1.952 -1.121 123 HG12 VAL 16 HG12 VAL 16 56.154 1.769 -2.865 124 HG13 VAL 16 HG13 VAL 16 57.297 0.996 -1.766 125 HG21 VAL 16 HG21 VAL 16 54.214 0.214 -3.664 126 HG22 VAL 16 HG22 VAL 16 53.740 1.315 -2.370 127 HG23 VAL 16 HG23 VAL 16 53.318 -0.394 -2.273 128 H MET 17 HN MET 17 57.894 -0.430 -0.862 129 HA MET 17 HA MET 17 59.230 -2.782 -0.242 130 HB2 MET 17 HB2 MET 17 59.026 -1.609 2.262 131 HB3 MET 17 HB1 MET 17 60.226 -1.193 1.042 132 HG2 MET 17 HG2 MET 17 57.511 0.087 0.922 133 HG3 MET 17 HG1 MET 17 58.704 0.696 2.070 134 HE1 MET 17 HE1 MET 17 58.524 2.854 1.143 135 HE2 MET 17 HE2 MET 17 59.605 3.453 -0.113 136 HE3 MET 17 HE3 MET 17 60.275 2.691 1.328 137 H GLY 18 HN GLY 18 55.935 -2.053 0.401 138 HA2 GLY 18 HA2 GLY 18 54.469 -3.991 0.912 139 HA3 GLY 18 HA1 GLY 18 55.723 -4.567 2.010 140 H GLY 19 HN GLY 19 53.307 -4.381 3.129 141 HA2 GLY 19 HA2 GLY 19 52.760 -1.756 4.260 142 HA3 GLY 19 HA1 GLY 19 51.982 -3.267 4.730 143 HA PRO 20 HA PRO 20 54.443 -4.238 8.276 144 HB2 PRO 20 HB2 PRO 20 56.558 -5.581 6.622 145 HB3 PRO 20 HB1 PRO 20 55.786 -6.133 8.123 146 HG2 PRO 20 HG2 PRO 20 55.068 -7.107 5.751 147 HG3 PRO 20 HG1 PRO 20 53.882 -6.834 7.037 148 HD2 PRO 20 HD2 PRO 20 54.278 -5.328 4.509 149 HD3 PRO 20 HD1 PRO 20 52.821 -5.480 5.516 150 H1U RCY 21 H1U RCY 21 63.283 0.201 3.125 151 H1S RCY 21 H1S RCY 21 61.333 -2.439 5.474 152 HB1 RCY 21 HB1 RCY 21 59.547 -1.232 5.217 153 HB2 RCY 21 HB2 RCY 21 58.070 -1.731 4.396 154 HA RCY 21 HA RCY 21 58.710 -2.268 7.312 155 HN1 RCY 21 HN1 RCY 21 56.752 -3.491 5.632 156 H THR 22 HN THR 22 58.561 -0.397 8.433 157 HA THR 22 HA THR 22 56.525 1.620 7.565 158 HB THR 22 HB THR 22 57.722 1.161 10.312 159 HG1 THR 22 HG1 THR 22 55.320 0.645 10.558 160 HG21 THR 22 HG21 THR 22 57.109 3.457 10.122 161 HG22 THR 22 HG22 THR 22 55.763 2.673 10.949 162 HG23 THR 22 HG23 THR 22 55.637 3.064 9.234 163 HA PRO 23 HA PRO 23 60.509 3.797 6.978 164 HB2 PRO 23 HB2 PRO 23 59.750 5.296 4.846 165 HB3 PRO 23 HB1 PRO 23 60.228 3.595 4.689 166 HG2 PRO 23 HG2 PRO 23 57.521 4.804 4.665 167 HG3 PRO 23 HG1 PRO 23 58.146 3.412 3.769 168 HD2 PRO 23 HD2 PRO 23 56.577 3.266 6.082 169 HD3 PRO 23 HD1 PRO 23 57.573 1.947 5.433 170 H ARG 24 HN ARG 24 60.613 5.233 8.701 171 HA ARG 24 HA ARG 24 59.371 7.865 8.345 172 HE ARG 24 HE ARG 24 56.106 10.329 8.614 173 HB2 ARG 24 HB2 ARG 24 57.796 6.121 9.659 174 HB3 ARG 24 HB1 ARG 24 58.803 6.634 11.010 175 HG2 ARG 24 HG2 ARG 24 57.127 8.245 11.091 176 HG3 ARG 24 HG1 ARG 24 58.305 9.053 10.056 177 HD2 ARG 24 HD2 ARG 24 57.112 8.240 8.056 178 HD3 ARG 24 HD1 ARG 24 55.935 7.426 9.087 179 HH11 ARG 24 HH21 ARG 24 54.911 7.680 10.469 180 HH12 ARG 24 HH22 ARG 24 53.574 8.567 11.122 181 HH21 ARG 24 HH11 ARG 24 54.368 11.503 9.456 182 HH22 ARG 24 HH12 ARG 24 53.267 10.732 10.549 183 H LYS 25 HN LYS 25 62.079 6.987 8.401 184 HA LYS 25 HA LYS 25 64.122 7.366 9.513 185 HB2 LYS 25 HB2 LYS 25 62.547 9.698 10.643 186 HB3 LYS 25 HB1 LYS 25 64.302 9.580 10.527 187 HG2 LYS 25 HG2 LYS 25 64.132 10.551 8.494 188 HG3 LYS 25 HG1 LYS 25 63.394 9.052 7.930 189 HD2 LYS 25 HD2 LYS 25 61.822 10.739 7.370 190 HD3 LYS 25 HD1 LYS 25 61.180 10.000 8.837 191 HE2 LYS 25 HE2 LYS 25 62.539 11.844 10.080 192 HE3 LYS 25 HE1 LYS 25 62.558 12.658 8.515 193 HZ1 LYS 25 HZ1 LYS 25 60.301 12.937 8.525 194 HZ2 LYS 25 HZ2 LYS 25 60.629 13.072 10.186 195 HZ3 LYS 25 HZ3 LYS 25 60.016 11.619 9.554 196 H GLY 26 HN GLY 26 62.082 5.693 10.919 197 HA2 GLY 26 HA2 GLY 26 62.154 6.349 13.730 198 HA3 GLY 26 HA1 GLY 26 61.720 4.778 13.056 199 HA PRO 27 HA PRO 27 65.697 2.991 13.728 200 HB2 PRO 27 HB2 PRO 27 66.758 3.257 10.975 201 HB3 PRO 27 HB1 PRO 27 66.389 1.791 11.900 202 HG2 PRO 27 HG2 PRO 27 64.894 2.611 9.827 203 HG3 PRO 27 HG1 PRO 27 64.217 1.742 11.214 204 HD2 PRO 27 HD2 PRO 27 64.050 4.659 10.554 205 HD3 PRO 27 HD1 PRO 27 62.850 3.609 11.341 206 HA PRO 28 HA PRO 28 69.091 5.727 14.448 207 HB2 PRO 28 HB2 PRO 28 70.883 4.234 12.577 208 HB3 PRO 28 HB1 PRO 28 71.134 4.658 14.282 209 HG2 PRO 28 HG2 PRO 28 70.512 2.178 13.542 210 HG3 PRO 28 HG1 PRO 28 69.884 2.883 15.042 211 HD2 PRO 28 HD2 PRO 28 68.464 2.381 12.459 212 HD3 PRO 28 HD1 PRO 28 67.832 2.350 14.120 213 H LYS 29 HN LYS 29 69.406 7.760 13.626 214 HA LYS 29 HA LYS 29 68.810 8.344 10.849 215 HB2 LYS 29 HB2 LYS 29 69.810 9.965 13.189 216 HB3 LYS 29 HB1 LYS 29 69.753 10.664 11.570 217 HG2 LYS 29 HG2 LYS 29 67.386 10.336 11.413 218 HG3 LYS 29 HG1 LYS 29 67.365 9.317 12.852 219 HD2 LYS 29 HD2 LYS 29 67.741 11.139 14.299 220 HD3 LYS 29 HD1 LYS 29 68.334 12.168 12.994 221 HE2 LYS 29 HE2 LYS 29 65.913 12.558 13.885 222 HE3 LYS 29 HE1 LYS 29 66.180 12.549 12.142 223 HZ1 LYS 29 HZ1 LYS 29 64.273 11.170 12.932 224 HZ2 LYS 29 HZ2 LYS 29 65.397 10.139 13.681 225 HZ3 LYS 29 HZ3 LYS 29 65.411 10.332 11.993 226 H1U RCY 30 H1U RCY 30 71.846 4.561 2.713 227 H1S RCY 30 H1S RCY 30 73.442 5.986 7.052 228 HB1 RCY 30 HB1 RCY 30 73.144 6.871 10.215 229 HB2 RCY 30 HB2 RCY 30 73.860 7.022 8.611 230 HA RCY 30 HA RCY 30 73.068 9.208 9.563 231 HN1 RCY 30 HN1 RCY 30 70.254 8.742 9.169 232 H LYS 31 HN LYS 31 70.290 8.882 7.666 233 HA LYS 31 HA LYS 31 69.846 9.327 5.402 234 HB2 LYS 31 HB2 LYS 31 72.139 11.088 6.162 235 HB3 LYS 31 HB1 LYS 31 71.763 10.955 4.446 236 HG2 LYS 31 HG2 LYS 31 70.509 12.821 5.402 237 HG3 LYS 31 HG1 LYS 31 69.388 11.532 4.959 238 HD2 LYS 31 HD2 LYS 31 68.809 12.361 7.178 239 HD3 LYS 31 HD1 LYS 31 69.452 10.724 7.324 240 HE2 LYS 31 HE2 LYS 31 71.407 11.431 8.324 241 HE3 LYS 31 HE1 LYS 31 71.390 12.989 7.498 242 HZ1 LYS 31 HZ1 LYS 31 70.826 12.860 10.006 243 HZ2 LYS 31 HZ2 LYS 31 69.296 12.359 9.464 244 HZ3 LYS 31 HZ3 LYS 31 69.912 13.872 8.996 245 H GLN 32 HN GLN 32 71.012 9.288 3.120 246 HA GLN 32 HA GLN 32 72.872 6.937 3.134 247 HB2 GLN 32 HB2 GLN 32 70.563 6.653 2.091 248 HB3 GLN 32 HB1 GLN 32 71.075 7.805 0.857 249 HG2 GLN 32 HG2 GLN 32 72.912 6.367 0.193 250 HG3 GLN 32 HG1 GLN 32 72.578 5.259 1.525 251 HE21 GLN 32 HE21 GLN 32 69.742 6.590 0.068 252 HE22 GLN 32 HE22 GLN 32 69.324 5.238 -0.869 253 H ARG 33 HN ARG 33 74.335 9.051 3.494 254 HA ARG 33 HA ARG 33 75.830 9.390 1.053 255 HE ARG 33 HE ARG 33 71.689 11.015 2.288 256 HB2 ARG 33 HB2 ARG 33 75.469 11.812 0.749 257 HB3 ARG 33 HB1 ARG 33 73.965 10.918 0.526 258 HG2 ARG 33 HG2 ARG 33 73.751 11.376 3.154 259 HG3 ARG 33 HG1 ARG 33 74.767 12.756 2.738 260 HD2 ARG 33 HD2 ARG 33 72.605 13.613 2.432 261 HD3 ARG 33 HD1 ARG 33 73.054 13.119 0.800 262 HH11 ARG 33 HH21 ARG 33 71.398 13.849 0.346 263 HH12 ARG 33 HH22 ARG 33 69.821 13.444 -0.244 264 HH21 ARG 33 HH11 ARG 33 69.632 10.469 1.527 265 HH22 ARG 33 HH12 ARG 33 68.821 11.530 0.424 266 H GLN 34 HN GLN 34 76.540 8.550 3.611 267 HA GLN 34 HA GLN 34 77.509 10.502 5.400 268 HB2 GLN 34 HB2 GLN 34 78.573 7.762 4.678 269 HB3 GLN 34 HB1 GLN 34 79.259 8.737 5.978 270 HG2 GLN 34 HG2 GLN 34 77.186 8.742 7.186 271 HG3 GLN 34 HG1 GLN 34 76.315 8.053 5.816 272 HE21 GLN 34 HE21 GLN 34 76.845 5.762 5.233 273 HE22 GLN 34 HE22 GLN 34 77.470 4.720 6.419 274 H THR 35 HN THR 35 78.485 9.889 2.195 275 HA THR 35 HA THR 35 80.837 11.681 2.578 276 HB THR 35 HB THR 35 80.969 9.324 0.700 277 HG1 THR 35 HG1 THR 35 82.393 8.696 2.721 278 HG21 THR 35 HG21 THR 35 83.037 11.044 2.097 279 HG22 THR 35 HG22 THR 35 82.601 11.119 0.390 280 HG23 THR 35 HG23 THR 35 83.405 9.687 1.033 281 H ARG 36 HN ARG 36 78.390 12.568 1.686 282 HA ARG 36 HA ARG 36 77.340 13.649 -0.109 283 HE ARG 36 HE ARG 36 79.835 16.226 -2.212 284 HB2 ARG 36 HB2 ARG 36 80.197 13.657 -1.128 285 HB3 ARG 36 HB1 ARG 36 78.886 14.636 -1.785 286 HG2 ARG 36 HG2 ARG 36 78.627 15.819 0.302 287 HG3 ARG 36 HG1 ARG 36 79.751 14.730 1.116 288 HD2 ARG 36 HD2 ARG 36 80.814 16.897 0.489 289 HD3 ARG 36 HD1 ARG 36 81.588 15.516 -0.288 290 HH11 ARG 36 HH21 ARG 36 81.864 18.096 -0.145 291 HH12 ARG 36 HH22 ARG 36 82.068 19.382 -1.286 292 HH21 ARG 36 HH11 ARG 36 80.089 17.895 -3.715 293 HH22 ARG 36 HH12 ARG 36 81.063 19.269 -3.308 294 H GLN 37 HN GLN 37 76.050 11.975 -0.925 295 HA GLN 37 HA GLN 37 75.346 10.331 -2.444 296 HB2 GLN 37 HB2 GLN 37 77.439 11.669 -4.185 297 HB3 GLN 37 HB1 GLN 37 76.115 10.652 -4.753 298 HG2 GLN 37 HG2 GLN 37 75.628 13.139 -3.107 299 HG3 GLN 37 HG1 GLN 37 75.734 13.188 -4.867 300 HE21 GLN 37 HE21 GLN 37 73.402 13.312 -2.681 301 HE22 GLN 37 HE22 GLN 37 72.211 12.333 -3.388 302 H1U RCY 38 H1U RCY 38 82.932 3.407 1.269 303 H1S RCY 38 H1S RCY 38 79.140 4.725 -0.396 304 HB1 RCY 38 HB1 RCY 38 77.878 5.350 -2.654 305 HB2 RCY 38 HB2 RCY 38 76.494 6.376 -2.275 306 HA RCY 38 HA RCY 38 79.022 7.653 -3.269 307 HN1 RCY 38 HN1 RCY 38 76.357 8.583 -4.066 308 H LYS 39 HN LYS 39 78.165 8.399 -5.769 309 HA LYS 39 HA LYS 39 78.563 5.932 -7.267 310 HB2 LYS 39 HB2 LYS 39 76.478 6.280 -8.669 311 HB3 LYS 39 HB1 LYS 39 76.179 5.701 -7.030 312 HG2 LYS 39 HG2 LYS 39 75.750 8.038 -6.304 313 HG3 LYS 39 HG1 LYS 39 75.982 8.579 -7.967 314 HD2 LYS 39 HD2 LYS 39 74.051 7.433 -8.728 315 HD3 LYS 39 HD1 LYS 39 73.959 6.450 -7.266 316 HE2 LYS 39 HE2 LYS 39 72.326 8.466 -7.505 317 HE3 LYS 39 HE1 LYS 39 73.155 8.236 -5.965 318 HZ1 LYS 39 HZ1 LYS 39 74.494 10.016 -6.307 319 HZ2 LYS 39 HZ2 LYS 39 73.156 10.539 -7.215 320 HZ3 LYS 39 HZ3 LYS 39 74.499 9.849 -7.995 321 H SER 40 HN SER 40 78.860 9.195 -6.820 322 HA SER 40 HA SER 40 78.924 10.116 -9.565 323 HG SER 40 HG SER 40 80.536 13.063 -8.231 324 HB2 SER 40 HB2 SER 40 78.668 11.825 -7.945 325 HB3 SER 40 HB1 SER 40 79.977 11.196 -6.950 326 H LYS 41 HN LYS 41 81.789 10.423 -7.527 327 HA LYS 41 HA LYS 41 83.288 8.538 -9.244 328 HB2 LYS 41 HB2 LYS 41 85.018 10.244 -9.771 329 HB3 LYS 41 HB1 LYS 41 83.457 10.626 -10.495 330 HG2 LYS 41 HG2 LYS 41 83.170 11.896 -8.123 331 HG3 LYS 41 HG1 LYS 41 84.920 12.018 -8.312 332 HD2 LYS 41 HD2 LYS 41 82.932 12.810 -10.458 333 HD3 LYS 41 HD1 LYS 41 83.660 13.947 -9.323 334 HE2 LYS 41 HE2 LYS 41 85.358 12.119 -11.021 335 HE3 LYS 41 HE1 LYS 41 84.805 13.682 -11.621 336 HZ1 LYS 41 HZ1 LYS 41 86.430 14.644 -10.497 337 HZ2 LYS 41 HZ2 LYS 41 86.946 13.140 -9.898 338 HZ3 LYS 41 HZ3 LYS 41 85.798 14.051 -9.039 339 HA PRO 42 HA PRO 42 84.954 8.643 -4.973 340 HB2 PRO 42 HB2 PRO 42 84.200 6.176 -4.192 341 HB3 PRO 42 HB1 PRO 42 83.052 7.528 -4.215 342 HG2 PRO 42 HG2 PRO 42 83.272 5.220 -6.032 343 HG3 PRO 42 HG1 PRO 42 81.863 6.206 -5.618 344 HD2 PRO 42 HD2 PRO 42 83.528 6.426 -7.954 345 HD3 PRO 42 HD1 PRO 42 82.140 7.443 -7.510 346 HA PRO 43 HA PRO 43 88.710 6.480 -5.950 347 HB2 PRO 43 HB2 PRO 43 89.482 5.560 -3.453 348 HB3 PRO 43 HB1 PRO 43 89.702 7.227 -4.017 349 HG2 PRO 43 HG2 PRO 43 87.623 6.096 -2.223 350 HG3 PRO 43 HG1 PRO 43 88.429 7.673 -2.171 351 HD2 PRO 43 HD2 PRO 43 85.886 7.343 -3.121 352 HD3 PRO 43 HD1 PRO 43 86.976 8.619 -3.707 353 H LYS 44 HN LYS 44 89.462 4.358 -6.408 354 HA LYS 44 HA LYS 44 87.604 2.151 -5.589 355 HB2 LYS 44 HB2 LYS 44 87.888 2.966 -8.103 356 HB3 LYS 44 HB1 LYS 44 89.330 1.955 -8.035 357 HG2 LYS 44 HG2 LYS 44 87.587 0.247 -6.909 358 HG3 LYS 44 HG1 LYS 44 86.456 1.168 -7.901 359 HD2 LYS 44 HD2 LYS 44 89.010 -0.079 -8.956 360 HD3 LYS 44 HD1 LYS 44 87.419 -0.831 -9.079 361 HE2 LYS 44 HE2 LYS 44 86.583 0.985 -10.427 362 HE3 LYS 44 HE1 LYS 44 88.043 1.934 -10.147 363 HZ1 LYS 44 HZ1 LYS 44 88.951 -0.443 -11.136 364 HZ2 LYS 44 HZ2 LYS 44 88.815 1.015 -11.998 365 HZ3 LYS 44 HZ3 LYS 44 87.562 -0.132 -12.059 366 H LYS 45 HN LYS 45 89.299 0.092 -6.662 367 HA LYS 45 HA LYS 45 91.011 -1.323 -5.924 368 HB2 LYS 45 HB2 LYS 45 92.320 0.683 -6.865 369 HB3 LYS 45 HB1 LYS 45 92.518 1.192 -5.188 370 HG2 LYS 45 HG2 LYS 45 93.731 -0.774 -4.622 371 HG3 LYS 45 HG1 LYS 45 93.242 -1.595 -6.105 372 HD2 LYS 45 HD2 LYS 45 95.550 -0.838 -6.333 373 HD3 LYS 45 HD1 LYS 45 94.522 0.097 -7.419 374 HE2 LYS 45 HE2 LYS 45 95.107 1.091 -4.637 375 HE3 LYS 45 HE1 LYS 45 96.251 1.376 -5.949 376 HZ1 LYS 45 HZ1 LYS 45 93.666 2.559 -5.471 377 HZ2 LYS 45 HZ2 LYS 45 93.905 2.052 -7.074 378 HZ3 LYS 45 HZ3 LYS 45 94.984 3.152 -6.359 379 H GLY 46 HN GLY 46 89.293 -1.582 -4.094 380 HA2 GLY 46 HA2 GLY 46 90.210 -0.491 -1.499 381 HA3 GLY 46 HA1 GLY 46 88.726 -1.409 -1.765 382 H VAL 47 HN VAL 47 92.199 -1.666 -1.277 383 HA VAL 47 HA VAL 47 91.800 -4.458 -0.362 384 HB VAL 47 HB VAL 47 93.770 -5.230 -1.661 385 HG11 VAL 47 HG11 VAL 47 91.721 -3.957 -3.492 386 HG12 VAL 47 HG12 VAL 47 91.383 -5.391 -2.523 387 HG13 VAL 47 HG13 VAL 47 92.633 -5.442 -3.766 388 HG21 VAL 47 HG21 VAL 47 94.544 -3.750 -3.541 389 HG22 VAL 47 HG22 VAL 47 94.933 -3.113 -1.943 390 HG23 VAL 47 HG23 VAL 47 93.577 -2.446 -2.852 391 H GLN 48 HN GLN 48 92.371 -1.882 0.947 392 HA GLN 48 HA GLN 48 94.829 -2.732 2.375 393 HB2 GLN 48 HB2 GLN 48 95.514 -1.073 0.622 394 HB3 GLN 48 HB1 GLN 48 94.427 0.101 1.363 395 HG2 GLN 48 HG2 GLN 48 96.110 -1.095 3.387 396 HG3 GLN 48 HG1 GLN 48 97.106 -0.433 2.091 397 HE21 GLN 48 HE21 GLN 48 97.753 1.621 2.775 398 HE22 GLN 48 HE22 GLN 48 96.717 2.791 3.439 399 H GLY 49 HN GLY 49 91.749 -2.300 2.704 400 HA2 GLY 49 HA2 GLY 49 90.870 -2.191 5.033 401 HA3 GLY 49 HA1 GLY 49 91.972 -0.842 5.309 402 H1U RCY 50 H1U RCY 50 81.451 0.655 2.202 403 H1S RCY 50 H1S RCY 50 86.010 0.336 2.462 404 HB1 RCY 50 HB1 RCY 50 87.546 -1.162 1.294 405 HB2 RCY 50 HB2 RCY 50 88.878 -0.331 0.491 406 HA RCY 50 HA RCY 50 88.956 1.278 2.413 407 HN1 RCY 50 HN1 RCY 50 89.824 -1.454 2.529 408 H GLY 51 HN GLY 51 87.484 -1.648 3.808 409 HA2 GLY 51 HA2 GLY 51 85.160 -0.113 4.757 410 HA3 GLY 51 HA1 GLY 51 85.447 -1.833 5.030 411 H ASP 52 HN ASP 52 88.085 0.281 5.698 412 HA ASP 52 HA ASP 52 88.459 -0.538 8.349 413 HB2 ASP 52 HB2 ASP 52 89.691 1.680 8.624 414 HB3 ASP 52 HB1 ASP 52 90.216 0.683 7.266 415 H ASP 53 HN ASP 53 87.994 0.554 10.386 416 HA ASP 53 HA ASP 53 85.300 1.286 10.755 417 HB2 ASP 53 HB2 ASP 53 87.640 2.218 12.445 418 HB3 ASP 53 HB1 ASP 53 85.960 2.066 12.961 419 H ILE 54 HN ILE 54 88.138 3.367 10.208 420 HA ILE 54 HA ILE 54 86.859 5.869 10.564 421 HB ILE 54 HB ILE 54 89.075 5.145 8.625 422 HG12 ILE 54 HG12 ILE 54 89.250 4.694 11.218 423 HG13 ILE 54 HG11 ILE 54 90.589 5.471 10.373 424 HG21 ILE 54 HG21 ILE 54 88.002 7.764 9.679 425 HG22 ILE 54 HG22 ILE 54 88.295 7.296 8.004 426 HG23 ILE 54 HG23 ILE 54 89.654 7.619 9.080 427 HD11 ILE 54 HD11 ILE 54 90.041 7.601 11.197 428 HD12 ILE 54 HD12 ILE 54 89.712 6.555 12.579 429 HD13 ILE 54 HD13 ILE 54 88.383 7.131 11.573 430 HA PRO 55 HA PRO 55 84.239 5.461 6.883 431 HB2 PRO 55 HB2 PRO 55 82.452 7.389 7.495 432 HB3 PRO 55 HB1 PRO 55 82.465 5.828 8.342 433 HG2 PRO 55 HG2 PRO 55 83.522 8.461 9.236 434 HG3 PRO 55 HG1 PRO 55 82.678 7.209 10.161 435 HD2 PRO 55 HD2 PRO 55 85.438 7.574 10.155 436 HD3 PRO 55 HD1 PRO 55 84.619 6.064 10.610 437 H GLY 56 HN GLY 56 84.074 6.646 4.931 438 HA2 GLY 56 HA2 GLY 56 84.172 8.746 3.669 439 HA3 GLY 56 HA1 GLY 56 85.258 9.387 4.903 440 H MET 57 HN MET 57 87.190 7.525 5.167 441 HA MET 57 HA MET 57 88.869 7.912 2.921 442 HB2 MET 57 HB2 MET 57 88.951 5.753 5.051 443 HB3 MET 57 HB1 MET 57 90.262 6.083 3.916 444 HG2 MET 57 HG2 MET 57 89.097 8.172 5.776 445 HG3 MET 57 HG1 MET 57 90.524 7.210 6.163 446 HE1 MET 57 HE1 MET 57 90.972 9.896 6.516 447 HE2 MET 57 HE2 MET 57 89.812 10.619 5.405 448 HE3 MET 57 HE3 MET 57 91.532 10.954 5.215 449 H GLU 58 HN GLU 58 86.129 6.020 3.085 450 HA GLU 58 HA GLU 58 87.111 3.855 1.341 451 HB2 GLU 58 HB2 GLU 58 84.194 4.329 1.845 452 HB3 GLU 58 HB1 GLU 58 85.080 2.807 1.740 453 HG2 GLU 58 HG2 GLU 58 86.270 3.604 3.909 454 HG3 GLU 58 HG1 GLU 58 84.924 4.735 4.051 455 H GLY 59 HN GLY 59 84.867 3.599 -0.366 456 HA2 GLY 59 HA2 GLY 59 84.348 6.080 -1.771 457 HA3 GLY 59 HA1 GLY 59 85.565 5.108 -2.600 458 H1U RCY 60 H1U RCY 60 78.279 2.929 0.756 459 H1S RCY 60 H1S RCY 60 80.086 2.731 -3.607 460 HB1 RCY 60 HB1 RCY 60 82.094 2.064 -2.277 461 HB2 RCY 60 HB2 RCY 60 83.178 0.837 -2.930 462 HA RCY 60 HA RCY 60 83.401 2.030 -5.010 463 HN1 RCY 60 HN1 RCY 60 84.878 3.437 -3.860 464 H GLY 61 HN GLY 61 81.801 2.458 -6.464 465 HA2 GLY 61 HA2 GLY 61 79.587 4.278 -5.733 466 HA3 GLY 61 HA1 GLY 61 80.636 4.803 -7.051 467 H THR 62 HN THR 62 81.143 2.252 -8.191 468 HA THR 62 HA THR 62 78.893 1.974 -9.906 469 HB THR 62 HB THR 62 80.374 -0.482 -9.851 470 HG1 THR 62 HG1 THR 62 81.910 0.698 -8.653 471 HG21 THR 62 HG21 THR 62 81.119 0.306 -12.064 472 HG22 THR 62 HG22 THR 62 80.547 1.930 -11.680 473 HG23 THR 62 HG23 THR 62 79.395 0.604 -11.839 474 H ASP 63 HN ASP 63 77.031 0.918 -9.601 475 HA ASP 63 HA ASP 63 76.207 -0.190 -7.146 476 HB2 ASP 63 HB2 ASP 63 74.389 -1.309 -8.543 477 HB3 ASP 63 HB1 ASP 63 74.528 0.439 -8.728 478 H ILE 64 HN ILE 64 78.664 -1.425 -8.829 479 HA ILE 64 HA ILE 64 78.292 -4.103 -7.683 480 HB ILE 64 HB ILE 64 77.298 -4.199 -10.010 481 HG12 ILE 64 HG12 ILE 64 79.823 -5.841 -9.871 482 HG13 ILE 64 HG11 ILE 64 78.514 -6.109 -8.720 483 HG21 ILE 64 HG21 ILE 64 78.659 -3.888 -11.912 484 HG22 ILE 64 HG22 ILE 64 80.148 -3.977 -10.971 485 HG23 ILE 64 HG23 ILE 64 79.116 -2.551 -10.857 486 HD11 ILE 64 HD11 ILE 64 78.145 -6.121 -11.728 487 HD12 ILE 64 HD12 ILE 64 76.950 -6.572 -10.511 488 HD13 ILE 64 HD13 ILE 64 78.379 -7.576 -10.758 489 H THR 65 HN THR 65 80.154 -1.467 -8.201 490 HA THR 65 HA THR 65 82.506 -1.140 -8.512 491 HB THR 65 HB THR 65 82.265 -1.403 -6.089 492 HG1 THR 65 HG1 THR 65 84.404 -3.006 -7.032 493 HG21 THR 65 HG21 THR 65 82.565 -3.698 -5.096 494 HG22 THR 65 HG22 THR 65 82.410 -4.361 -6.723 495 HG23 THR 65 HG23 THR 65 81.059 -3.495 -5.991 496 H VAL 66 HN VAL 66 81.511 -2.902 -10.397 497 HA VAL 66 HA VAL 66 82.358 -4.396 -11.996 498 HB VAL 66 HB VAL 66 84.739 -5.005 -10.251 499 HG11 VAL 66 HG11 VAL 66 85.851 -5.177 -12.429 500 HG12 VAL 66 HG12 VAL 66 84.393 -4.605 -13.239 501 HG13 VAL 66 HG13 VAL 66 84.393 -6.168 -12.422 502 HG21 VAL 66 HG21 VAL 66 85.638 -2.921 -11.754 503 HG22 VAL 66 HG22 VAL 66 85.087 -2.749 -10.088 504 HG23 VAL 66 HG23 VAL 66 83.992 -2.384 -11.421 505 H ILE 67 HN ILE 67 83.063 -5.374 -8.645 506 HA ILE 67 HA ILE 67 81.345 -7.760 -9.024 507 HB ILE 67 HB ILE 67 84.181 -7.815 -7.948 508 HG12 ILE 67 HG12 ILE 67 82.890 -9.332 -10.236 509 HG13 ILE 67 HG11 ILE 67 83.871 -7.880 -10.443 510 HG21 ILE 67 HG21 ILE 67 81.964 -9.876 -7.906 511 HG22 ILE 67 HG22 ILE 67 82.870 -9.239 -6.533 512 HG23 ILE 67 HG23 ILE 67 83.664 -10.297 -7.699 513 HD11 ILE 67 HD11 ILE 67 85.202 -9.955 -10.767 514 HD12 ILE 67 HD12 ILE 67 84.817 -10.438 -9.115 515 HD13 ILE 67 HD13 ILE 67 85.791 -8.997 -9.408 516 H1U RCY 68 H1U RCY 68 77.347 -2.640 0.710 517 H1S RCY 68 H1S RCY 68 77.837 -4.952 -3.169 518 HB1 RCY 68 HB1 RCY 68 77.940 -6.414 -4.757 519 HB2 RCY 68 HB2 RCY 68 78.099 -6.085 -6.482 520 HA RCY 68 HA RCY 68 80.601 -5.615 -5.058 521 HN1 RCY 68 HN1 RCY 68 79.791 -6.724 -7.593 522 HA PRO 69 HA PRO 69 81.694 -9.444 -2.996 523 HB2 PRO 69 HB2 PRO 69 80.740 -7.854 -0.641 524 HB3 PRO 69 HB1 PRO 69 82.224 -8.810 -0.831 525 HG2 PRO 69 HG2 PRO 69 82.242 -6.149 -1.009 526 HG3 PRO 69 HG1 PRO 69 83.294 -7.156 -2.015 527 HD2 PRO 69 HD2 PRO 69 80.882 -5.602 -2.797 528 HD3 PRO 69 HD1 PRO 69 82.271 -6.105 -3.786 529 H TRP 70 HN TRP 70 78.570 -8.168 -3.306 530 HA TRP 70 HA TRP 70 77.105 -9.706 -1.417 531 HD1 TRP 70 HD1 TRP 70 75.162 -10.831 -1.249 532 HE1 TRP 70 HE1 TRP 70 72.897 -11.894 -1.864 533 HE3 TRP 70 HE3 TRP 70 74.241 -8.446 -5.669 534 HZ2 TRP 70 HZ2 TRP 70 70.948 -11.753 -3.959 535 HZ3 TRP 70 HZ3 TRP 70 72.179 -8.927 -6.951 536 HH2 TRP 70 HH2 TRP 70 70.532 -10.574 -6.105 537 HB2 TRP 70 HB2 TRP 70 75.937 -7.993 -2.633 538 HB3 TRP 70 HB1 TRP 70 76.369 -8.713 -4.183 539 H GLU 71 HN GLU 71 77.846 -10.469 -4.838 540 HA GLU 71 HA GLU 71 77.016 -13.260 -4.421 541 HB2 GLU 71 HB2 GLU 71 78.167 -11.755 -6.785 542 HB3 GLU 71 HB1 GLU 71 77.843 -13.490 -6.823 543 HG2 GLU 71 HG2 GLU 71 75.486 -13.108 -6.350 544 HG3 GLU 71 HG1 GLU 71 75.772 -11.379 -6.152 545 H ALA 72 HN ALA 72 80.002 -12.016 -5.927 546 HA ALA 72 HA ALA 72 81.526 -14.267 -4.855 547 HB1 ALA 72 HB1 ALA 72 83.477 -13.003 -5.908 548 HB2 ALA 72 HB2 ALA 72 82.294 -11.814 -6.455 549 HB3 ALA 72 HB3 ALA 72 82.192 -13.482 -7.019 550 H1U RCY 73 H1U RCY 73 76.099 -9.489 1.061 551 H1S RCY 73 H1S RCY 73 79.547 -12.321 0.513 552 HB1 RCY 73 HB1 RCY 73 82.431 -13.989 0.047 553 HB2 RCY 73 HB2 RCY 73 80.747 -13.610 -0.318 554 HA RCY 73 HA RCY 73 81.770 -11.351 -1.224 555 HN1 RCY 73 HN1 RCY 73 81.018 -13.702 -2.537 556 H ASN 74 HN ASN 74 83.674 -10.355 -1.830 557 HA ASN 74 HA ASN 74 86.138 -11.856 -2.229 558 HB2 ASN 74 HB2 ASN 74 85.498 -8.903 -2.089 559 HB3 ASN 74 HB1 ASN 74 87.141 -9.505 -2.307 560 HD21 ASN 74 HD21 ASN 74 87.560 -10.828 -4.290 561 HD22 ASN 74 HD22 ASN 74 86.567 -10.633 -5.652 562 H HIS 75 HN HIS 75 85.474 -12.687 0.191 563 HA HIS 75 HA HIS 75 86.337 -12.899 2.363 564 HD1 HIS 75 HD1 HIS 75 86.998 -12.668 4.281 565 HD2 HIS 75 HD2 HIS 75 90.849 -12.591 2.682 566 HE1 HIS 75 HE1 HIS 75 88.513 -13.723 6.014 567 HE2 HIS 75 HE2 HIS 75 90.861 -13.683 5.053 568 HB2 HIS 75 HB2 HIS 75 88.477 -12.181 0.957 569 HB3 HIS 75 HB1 HIS 75 88.302 -10.684 1.871 570 H1U RCY 76 H1U RCY 76 77.542 -6.568 2.555 571 H1S RCY 76 H1S RCY 76 81.230 -6.588 4.182 572 HB1 RCY 76 HB1 RCY 76 82.968 -10.038 3.108 573 HB2 RCY 76 HB2 RCY 76 84.056 -8.651 3.078 574 HA RCY 76 HA RCY 76 85.281 -9.433 4.954 575 HN1 RCY 76 HN1 RCY 76 85.094 -12.109 3.982 576 H GLU 77 HN GLU 77 83.432 -12.415 4.690 577 HA GLU 77 HA GLU 77 81.710 -12.113 6.912 578 HB2 GLU 77 HB2 GLU 77 82.125 -14.097 5.126 579 HB3 GLU 77 HB1 GLU 77 82.978 -14.785 6.507 580 HG2 GLU 77 HG2 GLU 77 80.967 -14.450 7.910 581 HG3 GLU 77 HG1 GLU 77 80.112 -13.788 6.517 582 H LEU 78 HN LEU 78 82.120 -13.681 8.956 583 HA LEU 78 HA LEU 78 84.879 -13.704 9.904 584 HG LEU 78 HG LEU 78 85.511 -12.742 12.151 585 HB2 LEU 78 HB2 LEU 78 83.687 -11.293 10.210 586 HB3 LEU 78 HB1 LEU 78 83.111 -12.083 11.675 587 HD11 LEU 78 HD11 LEU 78 85.827 -11.228 9.611 588 HD12 LEU 78 HD12 LEU 78 86.787 -12.561 10.253 589 HD13 LEU 78 HD13 LEU 78 87.034 -10.923 10.859 590 HD21 LEU 78 HD21 LEU 78 84.695 -9.831 11.979 591 HD22 LEU 78 HD22 LEU 78 86.174 -10.355 12.784 592 HD23 LEU 78 HD23 LEU 78 84.605 -10.897 13.381 593 H HIS 79 HN HIS 79 82.040 -15.139 9.689 594 HA HIS 79 HA HIS 79 80.962 -16.844 10.883 595 HD1 HIS 79 HD1 HIS 79 85.555 -17.932 11.562 596 HD2 HIS 79 HD2 HIS 79 82.396 -17.626 8.855 597 HE1 HIS 79 HE1 HIS 79 86.532 -18.383 9.269 598 HE2 HIS 79 HE2 HIS 79 84.619 -18.200 7.612 599 HB2 HIS 79 HB2 HIS 79 83.432 -16.966 12.617 600 HB3 HIS 79 HB1 HIS 79 82.343 -18.279 12.170 601 H GLU 80 HN GLU 80 81.243 -13.905 11.960 602 HA GLU 80 HA GLU 80 79.927 -14.514 14.572 603 HB2 GLU 80 HB2 GLU 80 82.362 -13.740 14.817 604 HB3 GLU 80 HB1 GLU 80 81.815 -12.181 14.198 605 HG2 GLU 80 HG2 GLU 80 80.024 -12.247 16.026 606 HG3 GLU 80 HG1 GLU 80 80.933 -13.588 16.725 607 H LEU 81 HN LEU 81 80.423 -12.256 11.888 608 HA LEU 81 HA LEU 81 78.189 -10.557 12.753 609 HG LEU 81 HG LEU 81 80.737 -8.447 11.236 610 HB2 LEU 81 HB2 LEU 81 80.036 -10.587 10.366 611 HB3 LEU 81 HB1 LEU 81 78.617 -9.543 10.397 612 HD11 LEU 81 HD11 LEU 81 78.215 -8.034 11.995 613 HD12 LEU 81 HD12 LEU 81 79.551 -7.182 12.768 614 HD13 LEU 81 HD13 LEU 81 78.841 -8.598 13.544 615 HD21 LEU 81 HD21 LEU 81 81.690 -9.122 13.310 616 HD22 LEU 81 HD22 LEU 81 81.462 -10.621 12.408 617 HD23 LEU 81 HD23 LEU 81 80.326 -10.177 13.681 618 H ALA 82 HN ALA 82 78.608 -13.429 10.938 619 HA ALA 82 HA ALA 82 76.402 -13.153 9.112 620 HB1 ALA 82 HB1 ALA 82 78.282 -14.903 9.054 621 HB2 ALA 82 HB2 ALA 82 76.654 -15.487 8.706 622 HB3 ALA 82 HB3 ALA 82 77.369 -15.763 10.294 623 H GLN 83 HN GLN 83 75.300 -15.854 10.142 624 HA GLN 83 HA GLN 83 73.460 -16.543 11.409 625 HB2 GLN 83 HB2 GLN 83 74.381 -14.395 13.346 626 HB3 GLN 83 HB1 GLN 83 73.307 -15.741 13.714 627 HG2 GLN 83 HG2 GLN 83 75.983 -16.361 12.527 628 HG3 GLN 83 HG1 GLN 83 75.914 -15.897 14.228 629 HE21 GLN 83 HE21 GLN 83 73.270 -17.631 12.607 630 HE22 GLN 83 HE22 GLN 83 73.466 -19.082 13.466 631 H TYR 84 HN TYR 84 73.819 -13.233 10.495 632 HA TYR 84 HA TYR 84 71.038 -12.537 11.159 633 HD1 TYR 84 HD1 TYR 84 70.173 -10.410 11.774 634 HD2 TYR 84 HD2 TYR 84 74.466 -10.331 11.907 635 HE1 TYR 84 HE1 TYR 84 70.084 -9.366 14.022 636 HE2 TYR 84 HE2 TYR 84 74.377 -9.288 14.155 637 HH TYR 84 HH TYR 84 72.644 -9.252 16.097 638 HB2 TYR 84 HB2 TYR 84 73.405 -11.121 9.991 639 HB3 TYR 84 HB1 TYR 84 71.801 -10.481 9.632 640 H GLY 85 HN GLY 85 72.889 -13.718 8.447 641 HA2 GLY 85 HA2 GLY 85 71.407 -14.984 6.794 642 HA3 GLY 85 HA1 GLY 85 70.455 -13.500 6.716 643 H ILE 86 HN ILE 86 73.963 -14.230 6.595 644 HA ILE 86 HA ILE 86 75.609 -13.350 5.167 645 HB ILE 86 HB ILE 86 73.409 -13.532 3.091 646 HG12 ILE 86 HG12 ILE 86 73.464 -15.630 4.329 647 HG13 ILE 86 HG11 ILE 86 74.245 -15.875 2.766 648 HG21 ILE 86 HG21 ILE 86 75.277 -13.964 1.566 649 HG22 ILE 86 HG22 ILE 86 76.417 -13.888 2.910 650 HG23 ILE 86 HG23 ILE 86 75.541 -12.440 2.414 651 HD11 ILE 86 HD11 ILE 86 75.801 -16.853 4.195 652 HD12 ILE 86 HD12 ILE 86 75.482 -15.704 5.494 653 HD13 ILE 86 HD13 ILE 86 76.427 -15.207 4.090 654 H1U RCY 87 H1U RCY 87 76.902 -2.854 4.047 655 H1S RCY 87 H1S RCY 87 75.684 -5.200 7.092 656 HB1 RCY 87 HB1 RCY 87 76.821 -8.247 5.538 657 HB2 RCY 87 HB2 RCY 87 76.498 -9.427 6.807 658 HA RCY 87 HA RCY 87 74.022 -9.105 5.561 659 HN1 RCY 87 HN1 RCY 87 75.849 -11.245 5.955 Start of MODEL 65 1 HA MET 1 HA MET 1 68.611 -17.421 9.493 2 HB2 MET 1 HB2 MET 1 65.972 -18.651 10.313 3 HB3 MET 1 HB1 MET 1 66.293 -16.977 9.857 4 HG2 MET 1 HG2 MET 1 66.907 -17.772 7.564 5 HG3 MET 1 HG1 MET 1 66.424 -19.400 8.039 6 HE1 MET 1 HE1 MET 1 63.914 -15.663 7.432 7 HE2 MET 1 HE2 MET 1 65.057 -16.244 6.224 8 HE3 MET 1 HE3 MET 1 65.629 -15.814 7.834 9 H ASN 2 HN ASN 2 66.656 -17.123 11.791 10 HA ASN 2 HA ASN 2 68.033 -18.464 14.023 11 HB2 ASN 2 HB2 ASN 2 68.546 -16.261 15.130 12 HB3 ASN 2 HB1 ASN 2 69.519 -16.577 13.694 13 HD21 ASN 2 HD21 ASN 2 68.973 -13.900 14.686 14 HD22 ASN 2 HD22 ASN 2 68.045 -13.100 13.511 15 H LEU 3 HN LEU 3 66.837 -18.237 16.019 16 HA LEU 3 HA LEU 3 63.980 -17.742 15.567 17 HG LEU 3 HG LEU 3 62.845 -17.762 18.033 18 HB2 LEU 3 HB2 LEU 3 64.961 -19.650 16.973 19 HB3 LEU 3 HB1 LEU 3 65.306 -18.429 18.196 20 HD11 LEU 3 HD11 LEU 3 62.024 -18.703 16.068 21 HD12 LEU 3 HD12 LEU 3 61.490 -19.892 17.256 22 HD13 LEU 3 HD13 LEU 3 62.930 -20.201 16.286 23 HD21 LEU 3 HD21 LEU 3 63.736 -20.473 19.040 24 HD22 LEU 3 HD22 LEU 3 62.124 -19.833 19.361 25 HD23 LEU 3 HD23 LEU 3 63.546 -18.982 19.963 26 H GLU 4 HN GLU 4 63.905 -15.459 15.268 27 HA GLU 4 HA GLU 4 64.343 -13.890 17.779 28 HB2 GLU 4 HB2 GLU 4 65.353 -13.420 15.027 29 HB3 GLU 4 HB1 GLU 4 64.671 -12.004 15.824 30 HG2 GLU 4 HG2 GLU 4 66.140 -12.398 17.775 31 HG3 GLU 4 HG1 GLU 4 66.835 -13.800 16.961 32 HA PRO 5 HA PRO 5 60.235 -12.328 17.788 33 HB2 PRO 5 HB2 PRO 5 61.427 -9.701 16.947 34 HB3 PRO 5 HB1 PRO 5 60.223 -10.034 18.207 35 HG2 PRO 5 HG2 PRO 5 62.816 -9.623 18.769 36 HG3 PRO 5 HG1 PRO 5 61.796 -10.714 19.720 37 HD2 PRO 5 HD2 PRO 5 64.027 -11.376 17.918 38 HD3 PRO 5 HD1 PRO 5 63.240 -12.388 19.149 39 HA PRO 6 HA PRO 6 59.618 -12.552 13.284 40 HB2 PRO 6 HB2 PRO 6 57.089 -13.538 13.331 41 HB3 PRO 6 HB1 PRO 6 58.510 -14.548 13.666 42 HG2 PRO 6 HG2 PRO 6 56.565 -13.341 15.562 43 HG3 PRO 6 HG1 PRO 6 57.369 -14.918 15.618 44 HD2 PRO 6 HD2 PRO 6 58.163 -12.702 17.093 45 HD3 PRO 6 HD1 PRO 6 59.219 -14.073 16.690 46 H LYS 7 HN LYS 7 58.968 -10.885 11.991 47 HA LYS 7 HA LYS 7 56.447 -9.505 12.353 48 HB2 LYS 7 HB2 LYS 7 58.793 -8.480 13.720 49 HB3 LYS 7 HB1 LYS 7 58.246 -7.320 12.512 50 HG2 LYS 7 HG2 LYS 7 56.434 -8.614 14.572 51 HG3 LYS 7 HG1 LYS 7 57.146 -7.010 14.745 52 HD2 LYS 7 HD2 LYS 7 55.346 -6.219 13.637 53 HD3 LYS 7 HD1 LYS 7 56.018 -6.976 12.193 54 HE2 LYS 7 HE2 LYS 7 54.374 -8.514 12.158 55 HE3 LYS 7 HE1 LYS 7 54.678 -8.947 13.840 56 HZ1 LYS 7 HZ1 LYS 7 52.438 -7.798 13.028 57 HZ2 LYS 7 HZ2 LYS 7 53.345 -6.405 13.377 58 HZ3 LYS 7 HZ3 LYS 7 53.076 -7.570 14.583 59 H ALA 8 HN ALA 8 58.782 -10.674 10.495 60 HA ALA 8 HA ALA 8 59.599 -8.867 8.574 61 HB1 ALA 8 HB1 ALA 8 60.150 -11.241 8.427 62 HB2 ALA 8 HB2 ALA 8 59.406 -10.721 6.916 63 HB3 ALA 8 HB3 ALA 8 58.465 -11.638 8.093 64 H GLU 9 HN GLU 9 57.014 -10.845 7.302 65 HA GLU 9 HA GLU 9 55.191 -10.210 5.956 66 HB2 GLU 9 HB2 GLU 9 54.989 -8.808 8.543 67 HB3 GLU 9 HB1 GLU 9 54.073 -8.034 7.250 68 HG2 GLU 9 HG2 GLU 9 53.908 -11.000 7.835 69 HG3 GLU 9 HG1 GLU 9 52.809 -9.818 8.546 70 H1U RCY 10 H1U RCY 10 54.379 -8.568 -1.742 71 H1S RCY 10 H1S RCY 10 57.346 -5.470 -0.110 72 HB1 RCY 10 HB1 RCY 10 56.208 -7.513 3.105 73 HB2 RCY 10 HB2 RCY 10 57.855 -7.969 2.670 74 HA RCY 10 HA RCY 10 58.770 -6.869 4.578 75 HN1 RCY 10 HN1 RCY 10 57.905 -8.679 5.799 76 H ARG 11 HN ARG 11 55.587 -5.732 3.747 77 HA ARG 11 HA ARG 11 55.402 -3.879 6.002 78 HE ARG 11 HE ARG 11 56.641 0.410 6.763 79 HB2 ARG 11 HB2 ARG 11 57.127 -3.021 4.145 80 HB3 ARG 11 HB1 ARG 11 55.643 -2.505 3.350 81 HG2 ARG 11 HG2 ARG 11 56.134 -0.638 4.664 82 HG3 ARG 11 HG1 ARG 11 55.044 -1.533 5.723 83 HD2 ARG 11 HD2 ARG 11 56.868 -2.426 6.995 84 HD3 ARG 11 HD1 ARG 11 58.051 -1.862 5.814 85 HH11 ARG 11 HH21 ARG 11 58.762 -2.082 7.850 86 HH12 ARG 11 HH22 ARG 11 59.488 -1.108 9.085 87 HH21 ARG 11 HH11 ARG 11 57.578 1.696 8.369 88 HH22 ARG 11 HH12 ARG 11 58.818 1.030 9.379 89 H SER 12 HN SER 12 53.971 -2.020 3.953 90 HA SER 12 HA SER 12 51.661 -3.703 3.205 91 HG SER 12 HG SER 12 50.572 -3.338 6.361 92 HB2 SER 12 HB2 SER 12 51.673 -1.762 5.468 93 HB3 SER 12 HB1 SER 12 50.254 -1.762 4.425 94 H ALA 13 HN ALA 13 53.731 -1.140 2.644 95 HA ALA 13 HA ALA 13 52.014 -0.193 0.412 96 HB1 ALA 13 HB1 ALA 13 51.760 1.328 2.458 97 HB2 ALA 13 HB2 ALA 13 52.256 2.116 0.960 98 HB3 ALA 13 HB3 ALA 13 53.450 1.769 2.211 99 H THR 14 HN THR 14 53.412 -1.027 -1.141 100 HA THR 14 HA THR 14 56.303 -0.376 -0.948 101 HB THR 14 HB THR 14 56.482 -1.865 -2.956 102 HG1 THR 14 HG1 THR 14 53.695 -1.910 -2.546 103 HG21 THR 14 HG21 THR 14 55.765 -3.962 -1.730 104 HG22 THR 14 HG22 THR 14 55.068 -2.914 -0.495 105 HG23 THR 14 HG23 THR 14 56.804 -2.881 -0.803 106 H ARG 15 HN ARG 15 57.368 0.548 -2.901 107 HA ARG 15 HA ARG 15 55.558 2.113 -4.672 108 HE ARG 15 HE ARG 15 57.436 3.605 -0.989 109 HB2 ARG 15 HB2 ARG 15 57.680 3.224 -2.832 110 HB3 ARG 15 HB1 ARG 15 57.205 4.081 -4.299 111 HG2 ARG 15 HG2 ARG 15 54.962 4.334 -3.555 112 HG3 ARG 15 HG1 ARG 15 55.168 3.135 -2.278 113 HD2 ARG 15 HD2 ARG 15 56.588 5.812 -2.400 114 HD3 ARG 15 HD1 ARG 15 55.202 5.444 -1.374 115 HH11 ARG 15 HH21 ARG 15 55.988 6.629 -0.186 116 HH12 ARG 15 HH22 ARG 15 56.759 6.738 1.362 117 HH21 ARG 15 HH11 ARG 15 58.452 3.730 1.027 118 HH22 ARG 15 HH12 ARG 15 58.154 5.097 2.048 119 H VAL 16 HN VAL 16 57.835 -0.125 -4.586 120 HA VAL 16 HA VAL 16 59.962 0.838 -6.230 121 HB VAL 16 HB VAL 16 58.786 -1.946 -5.977 122 HG11 VAL 16 HG11 VAL 16 61.277 -0.903 -7.337 123 HG12 VAL 16 HG12 VAL 16 60.014 -1.928 -8.019 124 HG13 VAL 16 HG13 VAL 16 61.126 -2.582 -6.817 125 HG21 VAL 16 HG21 VAL 16 61.252 -0.686 -4.734 126 HG22 VAL 16 HG22 VAL 16 60.653 -2.319 -4.443 127 HG23 VAL 16 HG23 VAL 16 59.720 -0.927 -3.895 128 H MET 17 HN MET 17 59.993 1.335 -8.377 129 HA MET 17 HA MET 17 57.519 1.083 -9.927 130 HB2 MET 17 HB2 MET 17 58.793 2.262 -11.691 131 HB3 MET 17 HB1 MET 17 58.919 3.100 -10.144 132 HG2 MET 17 HG2 MET 17 61.150 3.059 -10.837 133 HG3 MET 17 HG1 MET 17 61.063 1.614 -9.829 134 HE1 MET 17 HE1 MET 17 62.949 0.002 -10.932 135 HE2 MET 17 HE2 MET 17 63.315 1.693 -11.265 136 HE3 MET 17 HE3 MET 17 63.478 0.495 -12.546 137 H GLY 18 HN GLY 18 60.322 -0.810 -9.421 138 HA2 GLY 18 HA2 GLY 18 61.061 -2.797 -10.423 139 HA3 GLY 18 HA1 GLY 18 59.420 -2.959 -11.048 140 H GLY 19 HN GLY 19 59.079 -2.583 -13.211 141 HA2 GLY 19 HA2 GLY 19 59.591 -2.141 -15.457 142 HA3 GLY 19 HA1 GLY 19 60.618 -0.838 -14.858 143 HA PRO 20 HA PRO 20 62.822 -4.963 -16.539 144 HB2 PRO 20 HB2 PRO 20 63.495 -2.961 -18.667 145 HB3 PRO 20 HB1 PRO 20 63.242 -4.712 -18.806 146 HG2 PRO 20 HG2 PRO 20 61.372 -2.939 -19.540 147 HG3 PRO 20 HG1 PRO 20 60.963 -4.518 -18.853 148 HD2 PRO 20 HD2 PRO 20 60.701 -1.832 -17.636 149 HD3 PRO 20 HD1 PRO 20 59.863 -3.342 -17.223 150 H1U RCY 21 H1U RCY 21 67.958 -9.292 -10.912 151 H1S RCY 21 H1S RCY 21 66.925 -4.563 -10.439 152 HB1 RCY 21 HB1 RCY 21 67.816 -4.799 -13.914 153 HB2 RCY 21 HB2 RCY 21 66.215 -5.536 -13.940 154 HA RCY 21 HA RCY 21 66.329 -2.732 -14.890 155 HN1 RCY 21 HN1 RCY 21 64.824 -5.179 -15.620 156 H THR 22 HN THR 22 67.430 -2.042 -16.722 157 HA THR 22 HA THR 22 69.275 -4.034 -17.992 158 HB THR 22 HB THR 22 67.842 -3.531 -19.755 159 HG1 THR 22 HG1 THR 22 68.943 -1.505 -20.744 160 HG21 THR 22 HG21 THR 22 67.647 -0.763 -18.544 161 HG22 THR 22 HG22 THR 22 66.382 -1.990 -18.617 162 HG23 THR 22 HG23 THR 22 66.930 -1.199 -20.095 163 HA PRO 23 HA PRO 23 72.394 -1.401 -16.046 164 HB2 PRO 23 HB2 PRO 23 73.944 -2.496 -18.372 165 HB3 PRO 23 HB1 PRO 23 74.422 -2.356 -16.667 166 HG2 PRO 23 HG2 PRO 23 73.640 -4.682 -17.707 167 HG3 PRO 23 HG1 PRO 23 73.227 -4.225 -16.046 168 HD2 PRO 23 HD2 PRO 23 71.467 -4.379 -18.438 169 HD3 PRO 23 HD1 PRO 23 71.048 -4.523 -16.717 170 H ARG 24 HN ARG 24 73.766 0.459 -16.746 171 HA ARG 24 HA ARG 24 73.101 1.565 -19.423 172 HE ARG 24 HE ARG 24 68.523 1.904 -17.520 173 HB2 ARG 24 HB2 ARG 24 72.611 2.982 -16.787 174 HB3 ARG 24 HB1 ARG 24 72.595 3.785 -18.358 175 HG2 ARG 24 HG2 ARG 24 70.773 2.340 -19.116 176 HG3 ARG 24 HG1 ARG 24 70.819 1.450 -17.594 177 HD2 ARG 24 HD2 ARG 24 70.439 3.767 -16.481 178 HD3 ARG 24 HD1 ARG 24 69.927 4.286 -18.087 179 HH11 ARG 24 HH21 ARG 24 68.890 5.111 -16.308 180 HH12 ARG 24 HH22 ARG 24 67.278 5.202 -15.683 181 HH21 ARG 24 HH11 ARG 24 66.414 2.005 -16.711 182 HH22 ARG 24 HH12 ARG 24 65.876 3.444 -15.911 183 H LYS 25 HN LYS 25 74.294 3.930 -17.353 184 HA LYS 25 HA LYS 25 77.131 3.199 -17.926 185 HB2 LYS 25 HB2 LYS 25 76.931 6.023 -18.198 186 HB3 LYS 25 HB1 LYS 25 77.325 4.851 -19.450 187 HG2 LYS 25 HG2 LYS 25 75.425 5.963 -20.309 188 HG3 LYS 25 HG1 LYS 25 74.763 4.478 -19.625 189 HD2 LYS 25 HD2 LYS 25 74.047 5.622 -17.632 190 HD3 LYS 25 HD1 LYS 25 74.915 7.086 -18.093 191 HE2 LYS 25 HE2 LYS 25 73.438 7.105 -20.195 192 HE3 LYS 25 HE1 LYS 25 72.443 5.906 -19.369 193 HZ1 LYS 25 HZ1 LYS 25 71.543 8.026 -18.888 194 HZ2 LYS 25 HZ2 LYS 25 73.062 8.665 -18.475 195 HZ3 LYS 25 HZ3 LYS 25 72.325 7.504 -17.477 196 H GLY 26 HN GLY 26 75.665 6.161 -16.575 197 HA2 GLY 26 HA2 GLY 26 75.596 6.767 -14.245 198 HA3 GLY 26 HA1 GLY 26 76.645 5.395 -13.884 199 HA PRO 27 HA PRO 27 79.095 9.384 -15.511 200 HB2 PRO 27 HB2 PRO 27 77.965 11.120 -13.377 201 HB3 PRO 27 HB1 PRO 27 78.304 11.499 -15.075 202 HG2 PRO 27 HG2 PRO 27 75.814 11.174 -14.161 203 HG3 PRO 27 HG1 PRO 27 76.290 10.695 -15.798 204 HD2 PRO 27 HD2 PRO 27 75.785 8.971 -13.403 205 HD3 PRO 27 HD1 PRO 27 75.474 8.636 -15.121 206 HA PRO 28 HA PRO 28 82.272 9.021 -12.456 207 HB2 PRO 28 HB2 PRO 28 82.173 11.927 -11.762 208 HB3 PRO 28 HB1 PRO 28 83.553 10.935 -12.272 209 HG2 PRO 28 HG2 PRO 28 82.395 12.656 -13.936 210 HG3 PRO 28 HG1 PRO 28 83.006 11.093 -14.505 211 HD2 PRO 28 HD2 PRO 28 80.176 11.954 -14.044 212 HD3 PRO 28 HD1 PRO 28 80.831 10.832 -15.258 213 H LYS 29 HN LYS 29 82.772 9.179 -10.087 214 HA LYS 29 HA LYS 29 80.379 9.849 -8.424 215 HB2 LYS 29 HB2 LYS 29 81.014 7.768 -7.061 216 HB3 LYS 29 HB1 LYS 29 80.240 7.480 -8.619 217 HG2 LYS 29 HG2 LYS 29 82.342 6.979 -9.665 218 HG3 LYS 29 HG1 LYS 29 83.245 7.540 -8.258 219 HD2 LYS 29 HD2 LYS 29 81.251 5.397 -7.758 220 HD3 LYS 29 HD1 LYS 29 82.674 4.931 -8.689 221 HE2 LYS 29 HE2 LYS 29 82.816 4.747 -6.109 222 HE3 LYS 29 HE1 LYS 29 84.156 5.526 -6.950 223 HZ1 LYS 29 HZ1 LYS 29 83.171 7.673 -6.477 224 HZ2 LYS 29 HZ2 LYS 29 83.427 6.812 -5.035 225 HZ3 LYS 29 HZ3 LYS 29 81.864 6.933 -5.689 226 H1U RCY 30 H1U RCY 30 91.875 13.704 -6.872 227 H1S RCY 30 H1S RCY 30 88.198 12.048 -7.532 228 HB1 RCY 30 HB1 RCY 30 84.954 12.565 -8.732 229 HB2 RCY 30 HB2 RCY 30 85.758 11.126 -8.105 230 HA RCY 30 HA RCY 30 84.236 11.005 -6.236 231 HN1 RCY 30 HN1 RCY 30 82.829 11.371 -8.841 232 H LYS 31 HN LYS 31 82.522 11.956 -4.965 233 HA LYS 31 HA LYS 31 82.754 14.833 -4.699 234 HB2 LYS 31 HB2 LYS 31 80.321 15.305 -5.118 235 HB3 LYS 31 HB1 LYS 31 81.210 14.857 -6.573 236 HG2 LYS 31 HG2 LYS 31 80.449 12.423 -5.983 237 HG3 LYS 31 HG1 LYS 31 79.229 13.230 -4.997 238 HD2 LYS 31 HD2 LYS 31 79.691 13.664 -7.963 239 HD3 LYS 31 HD1 LYS 31 78.339 12.789 -7.242 240 HE2 LYS 31 HE2 LYS 31 77.839 14.950 -5.948 241 HE3 LYS 31 HE1 LYS 31 78.954 15.742 -7.062 242 HZ1 LYS 31 HZ1 LYS 31 76.478 15.677 -7.654 243 HZ2 LYS 31 HZ2 LYS 31 76.756 14.054 -8.071 244 HZ3 LYS 31 HZ3 LYS 31 77.601 15.295 -8.867 245 H GLN 32 HN GLN 32 79.721 14.416 -3.714 246 HA GLN 32 HA GLN 32 78.701 13.889 -1.671 247 HB2 GLN 32 HB2 GLN 32 79.831 11.607 -2.299 248 HB3 GLN 32 HB1 GLN 32 80.975 12.026 -1.024 249 HG2 GLN 32 HG2 GLN 32 78.781 12.527 0.359 250 HG3 GLN 32 HG1 GLN 32 78.040 11.441 -0.817 251 HE21 GLN 32 HE21 GLN 32 78.403 10.813 2.026 252 HE22 GLN 32 HE22 GLN 32 79.445 9.476 2.108 253 H ARG 33 HN ARG 33 80.443 13.009 0.667 254 HA ARG 33 HA ARG 33 81.973 15.501 1.183 255 HE ARG 33 HE ARG 33 79.715 18.435 2.253 256 HB2 ARG 33 HB2 ARG 33 79.647 15.841 2.028 257 HB3 ARG 33 HB1 ARG 33 79.833 14.411 3.043 258 HG2 ARG 33 HG2 ARG 33 81.211 15.478 4.529 259 HG3 ARG 33 HG1 ARG 33 81.981 16.448 3.273 260 HD2 ARG 33 HD2 ARG 33 79.109 16.952 4.012 261 HD3 ARG 33 HD1 ARG 33 80.406 17.631 4.995 262 HH11 ARG 33 HH21 ARG 33 82.004 18.369 4.831 263 HH12 ARG 33 HH22 ARG 33 82.882 19.750 4.264 264 HH21 ARG 33 HH11 ARG 33 80.849 20.239 1.498 265 HH22 ARG 33 HH12 ARG 33 82.229 20.808 2.377 266 H GLN 34 HN GLN 34 81.278 13.838 4.016 267 HA GLN 34 HA GLN 34 82.963 11.557 3.875 268 HB2 GLN 34 HB2 GLN 34 84.949 12.504 5.148 269 HB3 GLN 34 HB1 GLN 34 84.840 12.991 3.460 270 HG2 GLN 34 HG2 GLN 34 85.165 15.074 4.396 271 HG3 GLN 34 HG1 GLN 34 83.408 14.990 4.537 272 HE21 GLN 34 HE21 GLN 34 85.020 16.547 6.355 273 HE22 GLN 34 HE22 GLN 34 84.899 15.843 7.895 274 H THR 35 HN THR 35 80.757 13.393 5.352 275 HA THR 35 HA THR 35 81.304 13.232 8.135 276 HB THR 35 HB THR 35 79.407 14.495 7.698 277 HG1 THR 35 HG1 THR 35 78.464 11.880 8.249 278 HG21 THR 35 HG21 THR 35 79.070 14.045 5.396 279 HG22 THR 35 HG22 THR 35 77.562 13.556 6.168 280 HG23 THR 35 HG23 THR 35 78.746 12.337 5.694 281 H ARG 36 HN ARG 36 80.537 10.778 5.837 282 HA ARG 36 HA ARG 36 79.276 8.749 7.207 283 HE ARG 36 HE ARG 36 83.641 6.595 5.353 284 HB2 ARG 36 HB2 ARG 36 81.206 7.280 6.032 285 HB3 ARG 36 HB1 ARG 36 79.920 8.049 5.103 286 HG2 ARG 36 HG2 ARG 36 81.302 9.756 4.339 287 HG3 ARG 36 HG1 ARG 36 82.404 9.616 5.709 288 HD2 ARG 36 HD2 ARG 36 82.117 7.366 3.723 289 HD3 ARG 36 HD1 ARG 36 83.205 8.717 3.408 290 HH11 ARG 36 HH21 ARG 36 84.191 9.891 4.506 291 HH12 ARG 36 HH22 ARG 36 85.658 10.019 5.418 292 HH21 ARG 36 HH11 ARG 36 85.553 6.743 6.549 293 HH22 ARG 36 HH12 ARG 36 86.429 8.237 6.575 294 H GLN 37 HN GLN 37 82.686 9.645 7.510 295 HA GLN 37 HA GLN 37 84.239 9.253 9.216 296 HB2 GLN 37 HB2 GLN 37 81.819 9.874 10.451 297 HB3 GLN 37 HB1 GLN 37 82.331 8.401 11.270 298 HG2 GLN 37 HG2 GLN 37 83.993 10.913 10.912 299 HG3 GLN 37 HG1 GLN 37 83.264 10.354 12.418 300 HE21 GLN 37 HE21 GLN 37 86.127 10.252 10.604 301 HE22 GLN 37 HE22 GLN 37 86.852 8.916 11.359 302 H1U RCY 38 H1U RCY 38 80.172 0.593 6.426 303 H1S RCY 38 H1S RCY 38 81.092 4.572 6.004 304 HB1 RCY 38 HB1 RCY 38 82.666 3.443 8.541 305 HB2 RCY 38 HB2 RCY 38 84.233 4.247 8.626 306 HA RCY 38 HA RCY 38 81.864 4.546 10.370 307 HN1 RCY 38 HN1 RCY 38 81.718 6.874 10.123 308 H LYS 39 HN LYS 39 83.881 2.785 10.652 309 HA LYS 39 HA LYS 39 85.541 2.110 12.166 310 HB2 LYS 39 HB2 LYS 39 86.756 3.789 10.599 311 HB3 LYS 39 HB1 LYS 39 86.662 4.902 11.964 312 HG2 LYS 39 HG2 LYS 39 87.756 3.155 13.393 313 HG3 LYS 39 HG1 LYS 39 87.966 2.163 11.949 314 HD2 LYS 39 HD2 LYS 39 88.958 5.006 12.002 315 HD3 LYS 39 HD1 LYS 39 89.933 3.705 12.689 316 HE2 LYS 39 HE2 LYS 39 90.667 3.825 10.449 317 HE3 LYS 39 HE1 LYS 39 89.520 2.486 10.440 318 HZ1 LYS 39 HZ1 LYS 39 88.474 5.168 9.946 319 HZ2 LYS 39 HZ2 LYS 39 87.987 3.675 9.298 320 HZ3 LYS 39 HZ3 LYS 39 89.380 4.446 8.707 321 H SER 40 HN SER 40 83.244 4.316 12.922 322 HA SER 40 HA SER 40 83.948 5.662 15.240 323 HG SER 40 HG SER 40 81.746 3.072 14.759 324 HB2 SER 40 HB2 SER 40 81.583 5.160 16.036 325 HB3 SER 40 HB1 SER 40 81.703 5.863 14.426 326 H LYS 41 HN LYS 41 82.984 2.222 15.035 327 HA LYS 41 HA LYS 41 84.513 1.751 17.552 328 HB2 LYS 41 HB2 LYS 41 81.637 1.013 16.990 329 HB3 LYS 41 HB1 LYS 41 82.595 0.136 18.182 330 HG2 LYS 41 HG2 LYS 41 82.937 2.106 19.496 331 HG3 LYS 41 HG1 LYS 41 82.314 3.148 18.216 332 HD2 LYS 41 HD2 LYS 41 80.108 1.872 18.449 333 HD3 LYS 41 HD1 LYS 41 80.772 1.200 19.940 334 HE2 LYS 41 HE2 LYS 41 80.329 4.131 19.308 335 HE3 LYS 41 HE1 LYS 41 79.474 3.167 20.511 336 HZ1 LYS 41 HZ1 LYS 41 81.073 3.552 21.971 337 HZ2 LYS 41 HZ2 LYS 41 81.808 4.609 20.862 338 HZ3 LYS 41 HZ3 LYS 41 82.264 2.973 20.911 339 HA PRO 42 HA PRO 42 86.115 -1.684 15.289 340 HB2 PRO 42 HB2 PRO 42 86.530 -3.500 17.332 341 HB3 PRO 42 HB1 PRO 42 87.593 -2.120 16.996 342 HG2 PRO 42 HG2 PRO 42 85.463 -2.404 19.050 343 HG3 PRO 42 HG1 PRO 42 87.045 -1.615 19.162 344 HD2 PRO 42 HD2 PRO 42 84.733 -0.206 18.842 345 HD3 PRO 42 HD1 PRO 42 86.287 0.349 18.181 346 HA PRO 43 HA PRO 43 82.721 -4.458 14.562 347 HB2 PRO 43 HB2 PRO 43 83.962 -6.479 13.236 348 HB3 PRO 43 HB1 PRO 43 83.746 -4.867 12.523 349 HG2 PRO 43 HG2 PRO 43 86.163 -6.052 13.796 350 HG3 PRO 43 HG1 PRO 43 86.030 -5.043 12.346 351 HD2 PRO 43 HD2 PRO 43 86.786 -4.066 14.807 352 HD3 PRO 43 HD1 PRO 43 86.004 -3.076 13.555 353 H LYS 44 HN LYS 44 81.686 -5.888 15.893 354 HA LYS 44 HA LYS 44 83.211 -7.375 17.904 355 HB2 LYS 44 HB2 LYS 44 80.898 -8.199 18.559 356 HB3 LYS 44 HB1 LYS 44 81.109 -6.449 18.620 357 HG2 LYS 44 HG2 LYS 44 79.977 -6.152 16.525 358 HG3 LYS 44 HG1 LYS 44 79.991 -7.886 16.202 359 HD2 LYS 44 HD2 LYS 44 77.774 -7.258 16.983 360 HD3 LYS 44 HD1 LYS 44 78.562 -8.221 18.233 361 HE2 LYS 44 HE2 LYS 44 78.996 -6.335 19.583 362 HE3 LYS 44 HE1 LYS 44 78.749 -5.212 18.246 363 HZ1 LYS 44 HZ1 LYS 44 76.384 -6.422 18.322 364 HZ2 LYS 44 HZ2 LYS 44 76.734 -5.000 19.184 365 HZ3 LYS 44 HZ3 LYS 44 76.802 -6.508 19.964 366 H LYS 45 HN LYS 45 81.835 -7.980 14.783 367 HA LYS 45 HA LYS 45 81.851 -10.908 15.121 368 HB2 LYS 45 HB2 LYS 45 80.171 -9.634 13.686 369 HB3 LYS 45 HB1 LYS 45 81.492 -9.336 12.558 370 HG2 LYS 45 HG2 LYS 45 80.617 -11.298 11.670 371 HG3 LYS 45 HG1 LYS 45 81.835 -11.954 12.765 372 HD2 LYS 45 HD2 LYS 45 79.985 -13.205 13.398 373 HD3 LYS 45 HD1 LYS 45 79.853 -11.847 14.517 374 HE2 LYS 45 HE2 LYS 45 77.681 -12.311 13.442 375 HE3 LYS 45 HE1 LYS 45 78.289 -10.724 12.973 376 HZ1 LYS 45 HZ1 LYS 45 78.370 -11.346 10.861 377 HZ2 LYS 45 HZ2 LYS 45 77.555 -12.772 11.294 378 HZ3 LYS 45 HZ3 LYS 45 79.252 -12.748 11.229 379 H GLY 46 HN GLY 46 83.272 -8.951 12.494 380 HA2 GLY 46 HA2 GLY 46 85.914 -9.034 12.672 381 HA3 GLY 46 HA1 GLY 46 85.625 -10.769 12.534 382 H VAL 47 HN VAL 47 83.415 -8.719 10.862 383 HA VAL 47 HA VAL 47 82.954 -8.605 8.558 384 HB VAL 47 HB VAL 47 85.920 -8.269 8.157 385 HG11 VAL 47 HG11 VAL 47 85.176 -6.565 6.577 386 HG12 VAL 47 HG12 VAL 47 83.507 -6.752 7.117 387 HG13 VAL 47 HG13 VAL 47 84.309 -8.067 6.258 388 HG21 VAL 47 HG21 VAL 47 85.504 -5.844 8.887 389 HG22 VAL 47 HG22 VAL 47 85.600 -7.040 10.180 390 HG23 VAL 47 HG23 VAL 47 84.029 -6.437 9.650 391 H GLN 48 HN GLN 48 84.043 -11.252 9.791 392 HA GLN 48 HA GLN 48 85.577 -12.677 7.917 393 HB2 GLN 48 HB2 GLN 48 84.562 -13.394 10.237 394 HB3 GLN 48 HB1 GLN 48 83.228 -13.999 9.256 395 HG2 GLN 48 HG2 GLN 48 86.148 -14.731 8.883 396 HG3 GLN 48 HG1 GLN 48 84.928 -15.756 9.638 397 HE21 GLN 48 HE21 GLN 48 83.003 -16.337 8.193 398 HE22 GLN 48 HE22 GLN 48 83.281 -16.504 6.527 399 H GLY 49 HN GLY 49 82.129 -11.883 7.852 400 HA2 GLY 49 HA2 GLY 49 82.081 -12.630 4.986 401 HA3 GLY 49 HA1 GLY 49 80.914 -13.433 6.038 402 H1U RCY 50 H1U RCY 50 72.679 -13.425 4.025 403 H1S RCY 50 H1S RCY 50 75.515 -10.620 6.504 404 HB1 RCY 50 HB1 RCY 50 77.269 -9.342 7.461 405 HB2 RCY 50 HB2 RCY 50 77.807 -11.013 7.306 406 HA RCY 50 HA RCY 50 79.529 -8.975 5.999 407 HN1 RCY 50 HN1 RCY 50 80.569 -11.084 7.767 408 H GLY 51 HN GLY 51 81.221 -7.903 7.322 409 HA2 GLY 51 HA2 GLY 51 81.233 -7.687 10.120 410 HA3 GLY 51 HA1 GLY 51 81.762 -6.397 9.040 411 H ASP 52 HN ASP 52 79.034 -7.662 10.863 412 HA ASP 52 HA ASP 52 77.010 -5.876 10.043 413 HB2 ASP 52 HB2 ASP 52 77.580 -7.031 12.789 414 HB3 ASP 52 HB1 ASP 52 76.088 -6.191 12.361 415 H ASP 53 HN ASP 53 79.060 -5.481 12.949 416 HA ASP 53 HA ASP 53 79.240 -3.442 14.223 417 HB2 ASP 53 HB2 ASP 53 81.116 -2.263 13.313 418 HB3 ASP 53 HB1 ASP 53 81.304 -3.950 12.840 419 H ILE 54 HN ILE 54 77.288 -2.322 14.402 420 HA ILE 54 HA ILE 54 75.769 -1.053 12.465 421 HB ILE 54 HB ILE 54 76.385 0.305 15.092 422 HG12 ILE 54 HG12 ILE 54 74.679 -2.148 14.564 423 HG13 ILE 54 HG11 ILE 54 76.090 -2.048 15.619 424 HG21 ILE 54 HG21 ILE 54 74.830 1.321 13.341 425 HG22 ILE 54 HG22 ILE 54 74.123 1.074 14.938 426 HG23 ILE 54 HG23 ILE 54 73.760 -0.050 13.628 427 HD11 ILE 54 HD11 ILE 54 74.223 -1.889 17.082 428 HD12 ILE 54 HD12 ILE 54 73.377 -0.775 16.008 429 HD13 ILE 54 HD13 ILE 54 74.798 -0.232 16.900 430 HA PRO 55 HA PRO 55 79.006 1.898 11.213 431 HB2 PRO 55 HB2 PRO 55 78.361 2.060 8.610 432 HB3 PRO 55 HB1 PRO 55 79.156 0.617 9.272 433 HG2 PRO 55 HG2 PRO 55 76.302 1.029 8.554 434 HG3 PRO 55 HG1 PRO 55 77.317 -0.411 8.376 435 HD2 PRO 55 HD2 PRO 55 75.486 0.042 10.458 436 HD3 PRO 55 HD1 PRO 55 76.785 -1.171 10.469 437 H GLY 56 HN GLY 56 78.816 4.048 9.897 438 HA2 GLY 56 HA2 GLY 56 77.924 6.226 9.977 439 HA3 GLY 56 HA1 GLY 56 76.488 5.433 9.330 440 H MET 57 HN MET 57 77.587 4.440 12.470 441 HA MET 57 HA MET 57 75.160 4.873 13.786 442 HB2 MET 57 HB2 MET 57 77.237 3.667 14.674 443 HB3 MET 57 HB1 MET 57 77.839 5.257 15.142 444 HG2 MET 57 HG2 MET 57 76.708 4.304 17.057 445 HG3 MET 57 HG1 MET 57 75.700 5.607 16.427 446 HE1 MET 57 HE1 MET 57 73.017 5.055 16.481 447 HE2 MET 57 HE2 MET 57 74.045 4.761 17.882 448 HE3 MET 57 HE3 MET 57 72.822 3.576 17.430 449 H GLU 58 HN GLU 58 77.377 7.206 12.653 450 HA GLU 58 HA GLU 58 75.794 9.351 13.983 451 HB2 GLU 58 HB2 GLU 58 78.816 9.423 13.757 452 HB3 GLU 58 HB1 GLU 58 77.778 10.588 14.580 453 HG2 GLU 58 HG2 GLU 58 77.024 8.719 16.100 454 HG3 GLU 58 HG1 GLU 58 78.266 7.703 15.365 455 H GLY 59 HN GLY 59 77.578 8.125 11.287 456 HA2 GLY 59 HA2 GLY 59 77.302 10.699 9.819 457 HA3 GLY 59 HA1 GLY 59 78.274 9.324 9.292 458 H1U RCY 60 H1U RCY 60 75.931 5.322 1.031 459 H1S RCY 60 H1S RCY 60 77.545 7.036 4.459 460 HB1 RCY 60 HB1 RCY 60 75.129 6.422 5.855 461 HB2 RCY 60 HB2 RCY 60 75.415 5.258 7.148 462 HA RCY 60 HA RCY 60 74.518 8.060 7.307 463 HN1 RCY 60 HN1 RCY 60 76.836 7.241 8.996 464 H GLY 61 HN GLY 61 73.549 5.231 7.341 465 HA2 GLY 61 HA2 GLY 61 72.930 4.305 9.929 466 HA3 GLY 61 HA1 GLY 61 71.681 5.478 9.508 467 H THR 62 HN THR 62 70.371 5.053 7.607 468 HA THR 62 HA THR 62 70.520 2.258 6.589 469 HB THR 62 HB THR 62 68.145 1.925 6.918 470 HG1 THR 62 HG1 THR 62 67.920 4.336 8.307 471 HG21 THR 62 HG21 THR 62 69.243 3.126 9.470 472 HG22 THR 62 HG22 THR 62 69.734 1.549 8.853 473 HG23 THR 62 HG23 THR 62 68.056 1.830 9.318 474 H ASP 63 HN ASP 63 67.632 3.531 5.696 475 HA ASP 63 HA ASP 63 68.253 3.793 2.959 476 HB2 ASP 63 HB2 ASP 63 66.089 5.421 4.303 477 HB3 ASP 63 HB1 ASP 63 66.087 4.731 2.680 478 H ILE 64 HN ILE 64 68.065 6.301 5.472 479 HA ILE 64 HA ILE 64 70.166 7.861 4.322 480 HB ILE 64 HB ILE 64 68.593 8.419 2.565 481 HG12 ILE 64 HG12 ILE 64 68.243 10.820 4.292 482 HG13 ILE 64 HG11 ILE 64 69.899 10.265 4.039 483 HG21 ILE 64 HG21 ILE 64 66.708 8.974 4.868 484 HG22 ILE 64 HG22 ILE 64 66.502 7.799 3.568 485 HG23 ILE 64 HG23 ILE 64 66.399 9.525 3.221 486 HD11 ILE 64 HD11 ILE 64 67.929 10.735 1.786 487 HD12 ILE 64 HD12 ILE 64 69.658 10.414 1.642 488 HD13 ILE 64 HD13 ILE 64 69.098 11.940 2.328 489 H THR 65 HN THR 65 69.707 6.967 6.891 490 HA THR 65 HA THR 65 68.277 8.502 8.714 491 HB THR 65 HB THR 65 71.172 7.635 8.988 492 HG1 THR 65 HG1 THR 65 68.769 6.417 9.866 493 HG21 THR 65 HG21 THR 65 70.502 7.649 11.467 494 HG22 THR 65 HG22 THR 65 69.128 8.637 10.971 495 HG23 THR 65 HG23 THR 65 70.773 9.218 10.711 496 H VAL 66 HN VAL 66 70.850 9.498 6.660 497 HA VAL 66 HA VAL 66 70.592 12.269 7.684 498 HB VAL 66 HB VAL 66 73.238 10.854 7.211 499 HG11 VAL 66 HG11 VAL 66 72.477 13.718 7.776 500 HG12 VAL 66 HG12 VAL 66 73.561 13.093 6.534 501 HG13 VAL 66 HG13 VAL 66 74.064 13.095 8.224 502 HG21 VAL 66 HG21 VAL 66 72.336 10.186 9.342 503 HG22 VAL 66 HG22 VAL 66 71.835 11.836 9.711 504 HG23 VAL 66 HG23 VAL 66 73.549 11.424 9.666 505 H ILE 67 HN ILE 67 73.021 11.053 5.456 506 HA ILE 67 HA ILE 67 71.427 12.056 3.149 507 HB ILE 67 HB ILE 67 74.245 12.896 3.885 508 HG12 ILE 67 HG12 ILE 67 72.372 14.195 4.871 509 HG13 ILE 67 HG11 ILE 67 73.287 15.156 3.708 510 HG21 ILE 67 HG21 ILE 67 74.419 12.480 1.572 511 HG22 ILE 67 HG22 ILE 67 73.992 14.190 1.645 512 HG23 ILE 67 HG23 ILE 67 72.759 12.988 1.264 513 HD11 ILE 67 HD11 ILE 67 70.509 14.117 3.534 514 HD12 ILE 67 HD12 ILE 67 71.454 14.067 2.046 515 HD13 ILE 67 HD13 ILE 67 71.200 15.601 2.877 516 H1U RCY 68 H1U RCY 68 68.186 2.167 1.777 517 H1S RCY 68 H1S RCY 68 71.247 5.261 0.626 518 HB1 RCY 68 HB1 RCY 68 71.452 7.155 0.522 519 HB2 RCY 68 HB2 RCY 68 70.715 7.827 1.976 520 HA RCY 68 HA RCY 68 73.574 8.227 2.061 521 HN1 RCY 68 HN1 RCY 68 71.183 9.894 2.384 522 HA PRO 69 HA PRO 69 74.893 10.402 -1.641 523 HB2 PRO 69 HB2 PRO 69 76.058 7.686 -2.148 524 HB3 PRO 69 HB1 PRO 69 76.816 9.283 -2.298 525 HG2 PRO 69 HG2 PRO 69 77.284 7.714 -0.197 526 HG3 PRO 69 HG1 PRO 69 77.171 9.474 -0.032 527 HD2 PRO 69 HD2 PRO 69 75.247 7.383 0.845 528 HD3 PRO 69 HD1 PRO 69 75.498 9.023 1.479 529 H TRP 70 HN TRP 70 72.595 7.937 -1.549 530 HA TRP 70 HA TRP 70 72.559 7.267 -4.366 531 HD1 TRP 70 HD1 TRP 70 72.138 5.180 -5.255 532 HE1 TRP 70 HE1 TRP 70 70.426 4.200 -6.913 533 HE3 TRP 70 HE3 TRP 70 67.799 6.769 -3.082 534 HZ2 TRP 70 HZ2 TRP 70 67.586 4.103 -7.271 535 HZ3 TRP 70 HZ3 TRP 70 65.610 6.221 -4.099 536 HH2 TRP 70 HH2 TRP 70 65.495 4.892 -6.187 537 HB2 TRP 70 HB2 TRP 70 71.497 5.916 -2.461 538 HB3 TRP 70 HB1 TRP 70 70.184 7.093 -2.506 539 H GLU 71 HN GLU 71 71.119 9.823 -2.420 540 HA GLU 71 HA GLU 71 69.266 10.678 -4.495 541 HB2 GLU 71 HB2 GLU 71 70.315 11.961 -1.967 542 HB3 GLU 71 HB1 GLU 71 69.265 12.837 -3.081 543 HG2 GLU 71 HG2 GLU 71 67.605 10.967 -2.898 544 HG3 GLU 71 HG1 GLU 71 68.628 10.234 -1.662 545 H ALA 72 HN ALA 72 72.629 11.231 -3.776 546 HA ALA 72 HA ALA 72 72.861 13.631 -5.413 547 HB1 ALA 72 HB1 ALA 72 75.271 13.364 -5.081 548 HB2 ALA 72 HB2 ALA 72 75.025 11.735 -4.453 549 HB3 ALA 72 HB3 ALA 72 74.432 13.127 -3.548 550 H1U RCY 73 H1U RCY 73 78.846 14.316 -8.626 551 H1S RCY 73 H1S RCY 73 75.633 11.535 -6.252 552 HB1 RCY 73 HB1 RCY 73 76.353 9.483 -8.583 553 HB2 RCY 73 HB2 RCY 73 75.257 8.221 -8.021 554 HA RCY 73 HA RCY 73 74.646 10.949 -8.740 555 HN1 RCY 73 HN1 RCY 73 74.492 10.475 -5.860 556 H ASN 74 HN ASN 74 73.006 8.529 -6.669 557 HA ASN 74 HA ASN 74 71.033 7.318 -7.059 558 HB2 ASN 74 HB2 ASN 74 70.337 9.700 -7.915 559 HB3 ASN 74 HB1 ASN 74 70.498 8.978 -9.516 560 HD21 ASN 74 HD21 ASN 74 68.360 8.564 -10.156 561 HD22 ASN 74 HD22 ASN 74 67.228 7.710 -9.223 562 H HIS 75 HN HIS 75 69.869 6.436 -9.415 563 HA HIS 75 HA HIS 75 70.193 4.604 -10.865 564 HD1 HIS 75 HD1 HIS 75 72.142 8.398 -10.891 565 HD2 HIS 75 HD2 HIS 75 74.323 5.324 -12.678 566 HE1 HIS 75 HE1 HIS 75 74.567 9.129 -10.858 567 HE2 HIS 75 HE2 HIS 75 75.906 7.266 -11.943 568 HB2 HIS 75 HB2 HIS 75 71.515 5.193 -12.805 569 HB3 HIS 75 HB1 HIS 75 70.684 6.642 -12.246 570 H1U RCY 76 H1U RCY 76 72.357 -3.288 -3.505 571 H1S RCY 76 H1S RCY 76 72.555 -0.467 -6.580 572 HB1 RCY 76 HB1 RCY 76 71.965 0.707 -8.173 573 HB2 RCY 76 HB2 RCY 76 72.096 2.317 -7.466 574 HA RCY 76 HA RCY 76 73.922 2.660 -9.339 575 HN1 RCY 76 HN1 RCY 76 70.975 2.804 -9.834 576 H GLU 77 HN GLU 77 73.216 2.245 -11.965 577 HA GLU 77 HA GLU 77 72.617 -0.542 -12.508 578 HB2 GLU 77 HB2 GLU 77 73.643 0.161 -14.833 579 HB3 GLU 77 HB1 GLU 77 72.082 0.806 -14.333 580 HG2 GLU 77 HG2 GLU 77 74.403 2.365 -13.383 581 HG3 GLU 77 HG1 GLU 77 74.198 2.354 -15.135 582 H LEU 78 HN LEU 78 75.377 0.567 -14.226 583 HA LEU 78 HA LEU 78 77.501 -0.431 -14.412 584 HG LEU 78 HG LEU 78 78.836 1.335 -13.692 585 HB2 LEU 78 HB2 LEU 78 77.168 0.129 -11.463 586 HB3 LEU 78 HB1 LEU 78 78.658 -0.574 -12.093 587 HD11 LEU 78 HD11 LEU 78 76.346 2.184 -12.208 588 HD12 LEU 78 HD12 LEU 78 76.594 2.067 -13.950 589 HD13 LEU 78 HD13 LEU 78 77.375 3.356 -13.032 590 HD21 LEU 78 HD21 LEU 78 78.577 2.152 -10.779 591 HD22 LEU 78 HD22 LEU 78 79.518 2.993 -12.010 592 HD23 LEU 78 HD23 LEU 78 79.991 1.375 -11.491 593 H HIS 79 HN HIS 79 78.030 -2.031 -11.595 594 HA HIS 79 HA HIS 79 77.925 -4.282 -10.958 595 HD1 HIS 79 HD1 HIS 79 76.977 -7.200 -12.089 596 HD2 HIS 79 HD2 HIS 79 74.680 -5.113 -9.303 597 HE1 HIS 79 HE1 HIS 79 76.435 -8.840 -10.237 598 HE2 HIS 79 HE2 HIS 79 75.036 -7.582 -8.535 599 HB2 HIS 79 HB2 HIS 79 75.391 -3.758 -11.603 600 HB3 HIS 79 HB1 HIS 79 75.750 -4.849 -12.941 601 H GLU 80 HN GLU 80 78.990 -3.138 -13.763 602 HA GLU 80 HA GLU 80 79.187 -5.547 -15.377 603 HB2 GLU 80 HB2 GLU 80 79.435 -3.010 -16.063 604 HB3 GLU 80 HB1 GLU 80 81.122 -3.258 -15.619 605 HG2 GLU 80 HG2 GLU 80 79.549 -4.882 -17.640 606 HG3 GLU 80 HG1 GLU 80 80.824 -3.720 -18.005 607 H LEU 81 HN LEU 81 81.509 -3.733 -13.347 608 HA LEU 81 HA LEU 81 83.517 -5.835 -13.562 609 HG LEU 81 HG LEU 81 85.173 -2.609 -13.244 610 HB2 LEU 81 HB2 LEU 81 83.263 -3.315 -11.915 611 HB3 LEU 81 HB1 LEU 81 84.582 -4.454 -11.648 612 HD11 LEU 81 HD11 LEU 81 85.922 -5.184 -13.314 613 HD12 LEU 81 HD12 LEU 81 86.482 -4.018 -14.513 614 HD13 LEU 81 HD13 LEU 81 85.138 -5.096 -14.891 615 HD21 LEU 81 HD21 LEU 81 82.786 -2.604 -14.216 616 HD22 LEU 81 HD22 LEU 81 83.300 -3.995 -15.170 617 HD23 LEU 81 HD23 LEU 81 84.113 -2.443 -15.367 618 H ALA 82 HN ALA 82 80.665 -5.527 -11.816 619 HA ALA 82 HA ALA 82 81.413 -6.654 -9.286 620 HB1 ALA 82 HB1 ALA 82 78.991 -7.251 -9.118 621 HB2 ALA 82 HB2 ALA 82 78.787 -6.758 -10.799 622 HB3 ALA 82 HB3 ALA 82 79.251 -5.570 -9.581 623 H GLN 83 HN GLN 83 81.155 -8.874 -8.571 624 HA GLN 83 HA GLN 83 80.726 -10.960 -10.597 625 HB2 GLN 83 HB2 GLN 83 83.063 -11.951 -9.706 626 HB3 GLN 83 HB1 GLN 83 82.976 -10.892 -11.114 627 HG2 GLN 83 HG2 GLN 83 83.550 -8.962 -9.794 628 HG3 GLN 83 HG1 GLN 83 83.397 -9.875 -8.292 629 HE21 GLN 83 HE21 GLN 83 84.784 -12.252 -9.005 630 HE22 GLN 83 HE22 GLN 83 86.414 -11.872 -9.287 631 H TYR 84 HN TYR 84 82.669 -11.341 -7.674 632 HA TYR 84 HA TYR 84 80.445 -12.049 -5.956 633 HD1 TYR 84 HD2 TYR 84 78.517 -14.217 -6.487 634 HD2 TYR 84 HD1 TYR 84 82.174 -15.125 -4.424 635 HE1 TYR 84 HE2 TYR 84 77.225 -15.326 -4.684 636 HE2 TYR 84 HE1 TYR 84 80.881 -16.235 -2.621 637 HH TYR 84 HH TYR 84 77.905 -15.787 -1.953 638 HB2 TYR 84 HB2 TYR 84 80.690 -14.023 -7.603 639 HB3 TYR 84 HB1 TYR 84 82.189 -14.385 -6.751 640 H GLY 85 HN GLY 85 81.871 -10.418 -4.900 641 HA2 GLY 85 HA2 GLY 85 83.289 -11.328 -2.725 642 HA3 GLY 85 HA1 GLY 85 84.516 -11.251 -3.994 643 H ILE 86 HN ILE 86 82.431 -9.030 -4.970 644 HA ILE 86 HA ILE 86 84.063 -6.791 -4.270 645 HB ILE 86 HB ILE 86 81.801 -5.549 -4.969 646 HG12 ILE 86 HG12 ILE 86 81.386 -8.211 -6.314 647 HG13 ILE 86 HG11 ILE 86 80.662 -7.898 -4.737 648 HG21 ILE 86 HG21 ILE 86 82.453 -5.928 -7.349 649 HG22 ILE 86 HG22 ILE 86 83.518 -7.230 -6.820 650 HG23 ILE 86 HG23 ILE 86 83.837 -5.571 -6.317 651 HD11 ILE 86 HD11 ILE 86 79.213 -7.331 -6.769 652 HD12 ILE 86 HD12 ILE 86 80.332 -6.001 -7.068 653 HD13 ILE 86 HD13 ILE 86 79.402 -6.051 -5.570 654 H1U RCY 87 H1U RCY 87 80.929 1.064 -4.326 655 H1S RCY 87 H1S RCY 87 82.294 -3.308 -2.684 656 HB1 RCY 87 HB1 RCY 87 84.631 -4.828 0.168 657 HB2 RCY 87 HB2 RCY 87 83.283 -3.746 0.522 658 HA RCY 87 HA RCY 87 82.749 -6.220 -0.094 659 HN1 RCY 87 HN1 RCY 87 84.090 -5.543 -2.482 Start of MODEL 66 1 HA MET 1 HA MET 1 57.145 -15.548 8.402 2 HB2 MET 1 HB2 MET 1 55.257 -16.606 9.837 3 HB3 MET 1 HB1 MET 1 55.836 -15.003 10.291 4 HG2 MET 1 HG2 MET 1 53.507 -15.339 8.403 5 HG3 MET 1 HG1 MET 1 53.274 -15.355 10.152 6 HE1 MET 1 HE1 MET 1 52.800 -12.903 11.442 7 HE2 MET 1 HE2 MET 1 54.367 -12.098 11.467 8 HE3 MET 1 HE3 MET 1 54.279 -13.847 11.660 9 H ASN 2 HN ASN 2 54.063 -15.597 6.657 10 HA ASN 2 HA ASN 2 54.940 -17.912 5.118 11 HB2 ASN 2 HB2 ASN 2 52.836 -19.235 5.792 12 HB3 ASN 2 HB1 ASN 2 54.164 -19.208 6.954 13 HD21 ASN 2 HD21 ASN 2 53.900 -17.884 8.898 14 HD22 ASN 2 HD22 ASN 2 52.377 -17.299 9.364 15 H LEU 3 HN LEU 3 53.721 -15.058 5.029 16 HA LEU 3 HA LEU 3 51.838 -15.681 2.812 17 HG LEU 3 HG LEU 3 49.752 -16.025 3.528 18 HB2 LEU 3 HB2 LEU 3 51.000 -14.742 5.349 19 HB3 LEU 3 HB1 LEU 3 50.932 -13.341 4.283 20 HD11 LEU 3 HD11 LEU 3 48.511 -13.670 4.967 21 HD12 LEU 3 HD12 LEU 3 48.527 -15.360 5.471 22 HD13 LEU 3 HD13 LEU 3 47.548 -14.860 4.092 23 HD21 LEU 3 HD21 LEU 3 50.307 -14.315 1.747 24 HD22 LEU 3 HD22 LEU 3 49.159 -13.225 2.525 25 HD23 LEU 3 HD23 LEU 3 48.599 -14.746 1.831 26 H GLU 4 HN GLU 4 54.241 -13.683 4.284 27 HA GLU 4 HA GLU 4 54.014 -11.388 2.569 28 HB2 GLU 4 HB2 GLU 4 56.332 -10.903 3.304 29 HB3 GLU 4 HB1 GLU 4 55.311 -11.351 4.668 30 HG2 GLU 4 HG2 GLU 4 57.218 -12.659 5.033 31 HG3 GLU 4 HG1 GLU 4 56.158 -13.778 4.175 32 HA PRO 5 HA PRO 5 55.412 -12.568 -1.443 33 HB2 PRO 5 HB2 PRO 5 57.741 -10.756 -0.879 34 HB3 PRO 5 HB1 PRO 5 56.738 -10.871 -2.339 35 HG2 PRO 5 HG2 PRO 5 56.381 -8.951 -0.494 36 HG3 PRO 5 HG1 PRO 5 55.043 -9.631 -1.434 37 HD2 PRO 5 HD2 PRO 5 55.622 -9.934 1.435 38 HD3 PRO 5 HD1 PRO 5 54.122 -10.287 0.551 39 HA PRO 6 HA PRO 6 58.430 -15.708 -0.329 40 HB2 PRO 6 HB2 PRO 6 58.574 -17.006 -2.708 41 HB3 PRO 6 HB1 PRO 6 57.150 -17.117 -1.653 42 HG2 PRO 6 HG2 PRO 6 57.558 -15.452 -4.090 43 HG3 PRO 6 HG1 PRO 6 56.129 -16.363 -3.571 44 HD2 PRO 6 HD2 PRO 6 56.403 -13.643 -3.224 45 HD3 PRO 6 HD1 PRO 6 55.392 -14.670 -2.183 46 H LYS 7 HN LYS 7 60.641 -15.570 -0.243 47 HA LYS 7 HA LYS 7 62.033 -13.825 -2.175 48 HB2 LYS 7 HB2 LYS 7 64.033 -14.401 -0.658 49 HB3 LYS 7 HB1 LYS 7 62.733 -13.455 0.064 50 HG2 LYS 7 HG2 LYS 7 62.482 -16.418 0.233 51 HG3 LYS 7 HG1 LYS 7 63.719 -15.666 1.242 52 HD2 LYS 7 HD2 LYS 7 60.970 -14.469 1.182 53 HD3 LYS 7 HD1 LYS 7 61.252 -15.918 2.148 54 HE2 LYS 7 HE2 LYS 7 63.067 -14.795 3.351 55 HE3 LYS 7 HE1 LYS 7 62.863 -13.356 2.352 56 HZ1 LYS 7 HZ1 LYS 7 61.071 -12.716 3.499 57 HZ2 LYS 7 HZ2 LYS 7 61.639 -13.768 4.706 58 HZ3 LYS 7 HZ3 LYS 7 60.443 -14.288 3.618 59 H ALA 8 HN ALA 8 61.558 -17.186 -1.515 60 HA ALA 8 HA ALA 8 62.533 -19.123 -2.445 61 HB1 ALA 8 HB1 ALA 8 62.519 -17.273 -4.851 62 HB2 ALA 8 HB2 ALA 8 61.167 -18.271 -4.314 63 HB3 ALA 8 HB3 ALA 8 62.641 -19.032 -4.912 64 H GLU 9 HN GLU 9 64.314 -17.772 -4.956 65 HA GLU 9 HA GLU 9 66.819 -17.704 -3.321 66 HB2 GLU 9 HB2 GLU 9 66.286 -19.203 -5.895 67 HB3 GLU 9 HB1 GLU 9 67.919 -18.812 -5.353 68 HG2 GLU 9 HG2 GLU 9 65.939 -20.233 -3.567 69 HG3 GLU 9 HG1 GLU 9 67.008 -21.110 -4.663 70 H1U RCY 10 H1U RCY 10 62.568 -7.912 -7.719 71 H1S RCY 10 H1S RCY 10 63.779 -11.398 -9.331 72 HB1 RCY 10 HB1 RCY 10 64.082 -13.628 -6.364 73 HB2 RCY 10 HB2 RCY 10 64.158 -14.994 -7.477 74 HA RCY 10 HA RCY 10 66.728 -14.827 -7.182 75 HN1 RCY 10 HN1 RCY 10 64.799 -16.161 -5.513 76 H ARG 11 HN ARG 11 65.376 -12.138 -6.353 77 HA ARG 11 HA ARG 11 66.395 -11.489 -3.748 78 HE ARG 11 HE ARG 11 68.714 -11.994 -3.076 79 HB2 ARG 11 HB2 ARG 11 68.579 -11.792 -4.819 80 HB3 ARG 11 HB1 ARG 11 68.111 -10.710 -6.129 81 HG2 ARG 11 HG2 ARG 11 69.531 -9.606 -4.366 82 HG3 ARG 11 HG1 ARG 11 67.966 -8.828 -4.607 83 HD2 ARG 11 HD2 ARG 11 68.799 -9.372 -2.165 84 HD3 ARG 11 HD1 ARG 11 67.107 -9.625 -2.594 85 HH11 ARG 11 HH21 ARG 11 67.059 -10.084 -0.732 86 HH12 ARG 11 HH22 ARG 11 66.770 -11.412 0.341 87 HH21 ARG 11 HH11 ARG 11 68.345 -13.740 -1.689 88 HH22 ARG 11 HH12 ARG 11 67.498 -13.482 -0.200 89 H SER 12 HN SER 12 64.826 -10.790 -6.647 90 HA SER 12 HA SER 12 64.664 -7.949 -6.612 91 HG SER 12 HG SER 12 63.617 -9.391 -9.538 92 HB2 SER 12 HB2 SER 12 62.464 -9.864 -7.430 93 HB3 SER 12 HB1 SER 12 62.683 -8.206 -7.980 94 H ALA 13 HN ALA 13 61.496 -8.483 -6.409 95 HA ALA 13 HA ALA 13 59.880 -7.950 -4.793 96 HB1 ALA 13 HB1 ALA 13 60.889 -10.155 -3.897 97 HB2 ALA 13 HB2 ALA 13 60.002 -9.147 -2.753 98 HB3 ALA 13 HB3 ALA 13 61.766 -9.136 -2.755 99 H THR 14 HN THR 14 60.930 -5.695 -5.330 100 HA THR 14 HA THR 14 61.673 -4.457 -2.717 101 HB THR 14 HB THR 14 63.775 -4.572 -3.840 102 HG1 THR 14 HG1 THR 14 64.068 -2.541 -3.497 103 HG21 THR 14 HG21 THR 14 62.218 -3.710 -6.288 104 HG22 THR 14 HG22 THR 14 63.081 -5.229 -6.045 105 HG23 THR 14 HG23 THR 14 63.981 -3.723 -6.218 106 H ARG 15 HN ARG 15 59.186 -4.179 -3.126 107 HA ARG 15 HA ARG 15 58.814 -1.430 -4.098 108 HE ARG 15 HE ARG 15 55.461 -0.690 -7.773 109 HB2 ARG 15 HB2 ARG 15 58.219 -3.644 -5.792 110 HB3 ARG 15 HB1 ARG 15 56.674 -3.005 -5.241 111 HG2 ARG 15 HG2 ARG 15 58.828 -1.148 -6.240 112 HG3 ARG 15 HG1 ARG 15 57.745 -1.959 -7.372 113 HD2 ARG 15 HD2 ARG 15 56.553 -0.561 -5.007 114 HD3 ARG 15 HD1 ARG 15 57.112 0.412 -6.368 115 HH11 ARG 15 HH21 ARG 15 55.472 -1.586 -4.443 116 HH12 ARG 15 HH22 ARG 15 53.887 -2.283 -4.488 117 HH21 ARG 15 HH11 ARG 15 53.391 -1.595 -7.851 118 HH22 ARG 15 HH12 ARG 15 52.709 -2.289 -6.417 119 H VAL 16 HN VAL 16 58.375 -3.620 -1.788 120 HA VAL 16 HA VAL 16 55.876 -2.308 -0.831 121 HB VAL 16 HB VAL 16 56.392 -5.298 -0.772 122 HG11 VAL 16 HG11 VAL 16 55.211 -4.722 1.215 123 HG12 VAL 16 HG12 VAL 16 53.972 -5.259 0.081 124 HG13 VAL 16 HG13 VAL 16 54.215 -3.536 0.370 125 HG21 VAL 16 HG21 VAL 16 54.408 -3.594 -2.311 126 HG22 VAL 16 HG22 VAL 16 54.347 -5.354 -2.222 127 HG23 VAL 16 HG23 VAL 16 55.717 -4.557 -2.994 128 H MET 17 HN MET 17 58.683 -4.351 -0.043 129 HA MET 17 HA MET 17 59.638 -2.876 2.110 130 HB2 MET 17 HB2 MET 17 57.193 -4.356 2.805 131 HB3 MET 17 HB1 MET 17 58.547 -4.774 3.849 132 HG2 MET 17 HG2 MET 17 58.099 -1.879 3.256 133 HG3 MET 17 HG1 MET 17 56.988 -2.669 4.374 134 HE1 MET 17 HE1 MET 17 57.548 -2.258 6.936 135 HE2 MET 17 HE2 MET 17 57.680 -0.863 5.868 136 HE3 MET 17 HE3 MET 17 58.895 -1.127 7.116 137 H GLY 18 HN GLY 18 58.816 -6.277 2.623 138 HA2 GLY 18 HA2 GLY 18 60.537 -7.887 1.449 139 HA3 GLY 18 HA1 GLY 18 61.708 -6.928 2.356 140 H GLY 19 HN GLY 19 58.699 -8.794 2.884 141 HA2 GLY 19 HA2 GLY 19 58.069 -10.158 4.686 142 HA3 GLY 19 HA1 GLY 19 59.793 -10.468 4.897 143 HA PRO 20 HA PRO 20 57.919 -8.282 8.685 144 HB2 PRO 20 HB2 PRO 20 60.129 -10.006 9.752 145 HB3 PRO 20 HB1 PRO 20 58.533 -9.662 10.449 146 HG2 PRO 20 HG2 PRO 20 59.057 -11.972 9.225 147 HG3 PRO 20 HG1 PRO 20 57.470 -11.194 9.111 148 HD2 PRO 20 HD2 PRO 20 59.584 -11.448 7.038 149 HD3 PRO 20 HD1 PRO 20 57.830 -11.241 6.843 150 H1U RCY 21 H1U RCY 21 60.820 -5.595 1.477 151 H1S RCY 21 H1S RCY 21 62.035 -4.152 5.031 152 HB1 RCY 21 HB1 RCY 21 60.933 -3.846 7.106 153 HB2 RCY 21 HB2 RCY 21 60.433 -5.406 6.454 154 HA RCY 21 HA RCY 21 61.604 -5.799 9.059 155 HN1 RCY 21 HN1 RCY 21 58.741 -6.207 8.337 156 H THR 22 HN THR 22 61.329 -4.703 10.966 157 HA THR 22 HA THR 22 59.135 -2.788 11.292 158 HB THR 22 HB THR 22 59.877 -4.212 13.181 159 HG1 THR 22 HG1 THR 22 60.657 -1.843 14.209 160 HG21 THR 22 HG21 THR 22 62.326 -4.098 12.423 161 HG22 THR 22 HG22 THR 22 62.032 -3.992 14.159 162 HG23 THR 22 HG23 THR 22 62.387 -2.533 13.234 163 HA PRO 23 HA PRO 23 61.124 0.830 9.634 164 HB2 PRO 23 HB2 PRO 23 60.208 2.050 12.218 165 HB3 PRO 23 HB1 PRO 23 60.043 2.668 10.562 166 HG2 PRO 23 HG2 PRO 23 58.007 1.503 11.856 167 HG3 PRO 23 HG1 PRO 23 58.230 1.344 10.107 168 HD2 PRO 23 HD2 PRO 23 58.585 -0.695 12.219 169 HD3 PRO 23 HD1 PRO 23 58.327 -0.913 10.475 170 H ARG 24 HN ARG 24 62.823 2.477 10.318 171 HA ARG 24 HA ARG 24 64.861 1.132 11.964 172 HE ARG 24 HE ARG 24 64.565 6.509 8.434 173 HB2 ARG 24 HB2 ARG 24 66.137 3.339 11.292 174 HB3 ARG 24 HB1 ARG 24 65.845 2.096 10.075 175 HG2 ARG 24 HG2 ARG 24 63.942 3.283 9.204 176 HG3 ARG 24 HG1 ARG 24 63.971 4.427 10.546 177 HD2 ARG 24 HD2 ARG 24 66.100 5.328 9.802 178 HD3 ARG 24 HD1 ARG 24 66.224 4.098 8.544 179 HH11 ARG 24 HH21 ARG 24 65.145 3.296 7.328 180 HH12 ARG 24 HH22 ARG 24 64.311 3.520 5.826 181 HH21 ARG 24 HH11 ARG 24 63.473 6.820 6.479 182 HH22 ARG 24 HH12 ARG 24 63.365 5.515 5.346 183 H LYS 25 HN LYS 25 65.931 2.276 13.760 184 HA LYS 25 HA LYS 25 64.087 4.203 15.130 185 HB2 LYS 25 HB2 LYS 25 65.047 3.283 17.262 186 HB3 LYS 25 HB1 LYS 25 64.116 2.105 16.339 187 HG2 LYS 25 HG2 LYS 25 67.013 2.259 15.696 188 HG3 LYS 25 HG1 LYS 25 66.607 1.600 17.282 189 HD2 LYS 25 HD2 LYS 25 65.241 -0.115 16.322 190 HD3 LYS 25 HD1 LYS 25 65.284 0.649 14.733 191 HE2 LYS 25 HE2 LYS 25 67.556 0.077 14.392 192 HE3 LYS 25 HE1 LYS 25 67.811 -0.272 16.102 193 HZ1 LYS 25 HZ1 LYS 25 66.716 -1.945 14.024 194 HZ2 LYS 25 HZ2 LYS 25 65.818 -1.959 15.466 195 HZ3 LYS 25 HZ3 LYS 25 67.465 -2.377 15.483 196 H GLY 26 HN GLY 26 65.785 4.967 17.187 197 HA2 GLY 26 HA2 GLY 26 67.670 6.289 17.693 198 HA3 GLY 26 HA1 GLY 26 68.393 5.762 16.172 199 HA PRO 27 HA PRO 27 66.616 10.352 16.377 200 HB2 PRO 27 HB2 PRO 27 69.485 10.644 15.545 201 HB3 PRO 27 HB1 PRO 27 68.480 11.738 16.515 202 HG2 PRO 27 HG2 PRO 27 70.291 10.089 17.616 203 HG3 PRO 27 HG1 PRO 27 68.787 10.540 18.434 204 HD2 PRO 27 HD2 PRO 27 69.568 7.934 17.301 205 HD3 PRO 27 HD1 PRO 27 68.283 8.312 18.467 206 HA PRO 28 HA PRO 28 66.115 9.760 11.962 207 HB2 PRO 28 HB2 PRO 28 64.812 12.067 11.354 208 HB3 PRO 28 HB1 PRO 28 64.039 10.746 12.253 209 HG2 PRO 28 HG2 PRO 28 65.201 13.290 13.273 210 HG3 PRO 28 HG1 PRO 28 63.724 12.445 13.766 211 HD2 PRO 28 HD2 PRO 28 66.093 12.306 15.167 212 HD3 PRO 28 HD1 PRO 28 64.853 11.033 15.202 213 H LYS 29 HN LYS 29 67.589 10.058 10.365 214 HA LYS 29 HA LYS 29 69.471 10.938 9.259 215 HB2 LYS 29 HB2 LYS 29 67.668 13.365 9.466 216 HB3 LYS 29 HB1 LYS 29 69.048 13.227 8.377 217 HG2 LYS 29 HG2 LYS 29 67.880 11.020 7.589 218 HG3 LYS 29 HG1 LYS 29 66.438 11.732 8.313 219 HD2 LYS 29 HD2 LYS 29 68.146 13.310 6.395 220 HD3 LYS 29 HD1 LYS 29 66.896 12.214 5.805 221 HE2 LYS 29 HE2 LYS 29 65.172 13.497 6.653 222 HE3 LYS 29 HE1 LYS 29 66.155 14.131 7.973 223 HZ1 LYS 29 HZ1 LYS 29 67.057 14.862 5.327 224 HZ2 LYS 29 HZ2 LYS 29 66.896 15.815 6.724 225 HZ3 LYS 29 HZ3 LYS 29 65.541 15.496 5.750 226 H1U RCY 30 H1U RCY 30 73.087 12.817 5.027 227 H1S RCY 30 H1S RCY 30 72.972 13.343 9.657 228 HB1 RCY 30 HB1 RCY 30 71.906 12.057 12.375 229 HB2 RCY 30 HB2 RCY 30 73.057 13.322 12.799 230 HA RCY 30 HA RCY 30 71.417 14.504 11.597 231 HN1 RCY 30 HN1 RCY 30 71.012 12.952 9.237 232 H LYS 31 HN LYS 31 71.681 14.268 8.567 233 HA LYS 31 HA LYS 31 74.004 14.351 7.303 234 HB2 LYS 31 HB2 LYS 31 73.293 16.857 6.548 235 HB3 LYS 31 HB1 LYS 31 72.475 15.407 5.970 236 HG2 LYS 31 HG2 LYS 31 70.822 17.027 6.782 237 HG3 LYS 31 HG1 LYS 31 70.841 15.611 7.834 238 HD2 LYS 31 HD2 LYS 31 72.272 16.787 9.437 239 HD3 LYS 31 HD1 LYS 31 72.336 18.194 8.375 240 HE2 LYS 31 HE2 LYS 31 70.628 18.812 9.833 241 HE3 LYS 31 HE1 LYS 31 69.708 18.060 8.529 242 HZ1 LYS 31 HZ1 LYS 31 70.638 16.609 10.944 243 HZ2 LYS 31 HZ2 LYS 31 69.573 16.041 9.749 244 HZ3 LYS 31 HZ3 LYS 31 69.093 17.293 10.793 245 H GLN 32 HN GLN 32 75.774 14.463 8.784 246 HA GLN 32 HA GLN 32 76.334 16.665 10.490 247 HB2 GLN 32 HB2 GLN 32 77.506 14.307 10.213 248 HB3 GLN 32 HB1 GLN 32 78.560 15.194 9.114 249 HG2 GLN 32 HG2 GLN 32 78.040 15.800 12.037 250 HG3 GLN 32 HG1 GLN 32 79.564 15.292 11.307 251 HE21 GLN 32 HE21 GLN 32 77.440 18.038 11.846 252 HE22 GLN 32 HE22 GLN 32 78.461 19.205 11.157 253 H ARG 33 HN ARG 33 77.089 16.084 7.102 254 HA ARG 33 HA ARG 33 77.122 18.858 6.429 255 HE ARG 33 HE ARG 33 82.623 15.947 5.815 256 HB2 ARG 33 HB2 ARG 33 79.582 19.052 5.911 257 HB3 ARG 33 HB1 ARG 33 79.214 19.002 7.634 258 HG2 ARG 33 HG2 ARG 33 79.955 16.777 7.857 259 HG3 ARG 33 HG1 ARG 33 79.835 16.469 6.124 260 HD2 ARG 33 HD2 ARG 33 81.681 18.143 5.771 261 HD3 ARG 33 HD1 ARG 33 81.866 18.231 7.522 262 HH11 ARG 33 HH21 ARG 33 82.031 17.277 8.940 263 HH12 ARG 33 HH22 ARG 33 82.959 16.075 9.774 264 HH21 ARG 33 HH11 ARG 33 83.838 14.370 6.885 265 HH22 ARG 33 HH12 ARG 33 83.981 14.429 8.610 266 H GLN 34 HN GLN 34 77.023 15.663 5.679 267 HA GLN 34 HA GLN 34 78.237 15.258 3.213 268 HB2 GLN 34 HB2 GLN 34 75.472 14.350 3.079 269 HB3 GLN 34 HB1 GLN 34 76.949 13.395 3.204 270 HG2 GLN 34 HG2 GLN 34 76.999 13.856 5.655 271 HG3 GLN 34 HG1 GLN 34 75.462 14.706 5.500 272 HE21 GLN 34 HE21 GLN 34 74.917 12.799 7.123 273 HE22 GLN 34 HE22 GLN 34 74.337 11.372 6.409 274 H THR 35 HN THR 35 77.824 15.898 1.076 275 HA THR 35 HA THR 35 75.425 17.352 0.338 276 HB THR 35 HB THR 35 77.934 19.019 0.267 277 HG1 THR 35 HG1 THR 35 76.188 19.650 2.243 278 HG21 THR 35 HG21 THR 35 75.990 19.681 -1.107 279 HG22 THR 35 HG22 THR 35 76.292 20.849 0.180 280 HG23 THR 35 HG23 THR 35 74.977 19.684 0.337 281 H ARG 36 HN ARG 36 76.085 15.285 -1.040 282 HA ARG 36 HA ARG 36 76.902 14.429 -3.078 283 HE ARG 36 HE ARG 36 76.879 16.595 -8.349 284 HB2 ARG 36 HB2 ARG 36 75.284 15.993 -3.964 285 HB3 ARG 36 HB1 ARG 36 76.398 17.342 -3.744 286 HG2 ARG 36 HG2 ARG 36 77.818 16.608 -5.484 287 HG3 ARG 36 HG1 ARG 36 77.133 14.982 -5.475 288 HD2 ARG 36 HD2 ARG 36 75.382 15.577 -6.803 289 HD3 ARG 36 HD1 ARG 36 75.186 17.138 -6.007 290 HH11 ARG 36 HH21 ARG 36 76.053 18.638 -5.697 291 HH12 ARG 36 HH22 ARG 36 76.740 20.060 -6.407 292 HH21 ARG 36 HH11 ARG 36 77.782 18.441 -9.290 293 HH22 ARG 36 HH12 ARG 36 77.719 19.949 -8.441 294 H GLN 37 HN GLN 37 79.076 13.945 -2.404 295 HA GLN 37 HA GLN 37 81.104 15.459 -3.833 296 HB2 GLN 37 HB2 GLN 37 82.443 15.849 -1.651 297 HB3 GLN 37 HB1 GLN 37 81.118 16.957 -2.008 298 HG2 GLN 37 HG2 GLN 37 79.642 15.804 -0.496 299 HG3 GLN 37 HG1 GLN 37 80.798 14.489 -0.283 300 HE21 GLN 37 HE21 GLN 37 82.188 17.666 -0.469 301 HE22 GLN 37 HE22 GLN 37 82.491 17.858 1.190 302 H1U RCY 38 H1U RCY 38 84.915 5.756 1.112 303 H1S RCY 38 H1S RCY 38 83.957 8.904 -1.205 304 HB1 RCY 38 HB1 RCY 38 80.613 10.634 -2.762 305 HB2 RCY 38 HB2 RCY 38 81.943 11.076 -1.694 306 HA RCY 38 HA RCY 38 83.327 11.711 -3.564 307 HN1 RCY 38 HN1 RCY 38 81.060 13.115 -4.597 308 H LYS 39 HN LYS 39 80.531 11.920 -5.589 309 HA LYS 39 HA LYS 39 80.600 9.533 -7.038 310 HB2 LYS 39 HB2 LYS 39 80.328 11.834 -8.823 311 HB3 LYS 39 HB1 LYS 39 79.134 10.614 -8.386 312 HG2 LYS 39 HG2 LYS 39 78.748 11.807 -6.232 313 HG3 LYS 39 HG1 LYS 39 79.872 13.062 -6.755 314 HD2 LYS 39 HD2 LYS 39 77.600 12.316 -8.563 315 HD3 LYS 39 HD1 LYS 39 77.275 13.347 -7.169 316 HE2 LYS 39 HE2 LYS 39 79.515 13.935 -9.110 317 HE3 LYS 39 HE1 LYS 39 77.879 14.547 -9.353 318 HZ1 LYS 39 HZ1 LYS 39 78.505 15.066 -6.717 319 HZ2 LYS 39 HZ2 LYS 39 78.399 16.191 -7.986 320 HZ3 LYS 39 HZ3 LYS 39 79.894 15.485 -7.595 321 H SER 40 HN SER 40 81.391 9.633 -9.513 322 HA SER 40 HA SER 40 83.221 9.605 -10.981 323 HG SER 40 HG SER 40 85.489 10.767 -11.283 324 HB2 SER 40 HB2 SER 40 83.289 12.090 -10.090 325 HB3 SER 40 HB1 SER 40 84.718 11.530 -9.228 326 H LYS 41 HN LYS 41 83.204 7.469 -9.430 327 HA LYS 41 HA LYS 41 85.763 7.299 -7.939 328 HB2 LYS 41 HB2 LYS 41 84.275 4.794 -8.170 329 HB3 LYS 41 HB1 LYS 41 84.732 5.687 -6.721 330 HG2 LYS 41 HG2 LYS 41 82.822 7.264 -7.177 331 HG3 LYS 41 HG1 LYS 41 82.316 6.188 -8.480 332 HD2 LYS 41 HD2 LYS 41 82.113 4.329 -6.866 333 HD3 LYS 41 HD1 LYS 41 82.603 5.411 -5.562 334 HE2 LYS 41 HE2 LYS 41 80.637 6.898 -6.256 335 HE3 LYS 41 HE1 LYS 41 80.087 5.536 -7.233 336 HZ1 LYS 41 HZ1 LYS 41 80.541 5.549 -4.300 337 HZ2 LYS 41 HZ2 LYS 41 80.162 4.163 -5.206 338 HZ3 LYS 41 HZ3 LYS 41 79.047 5.439 -5.096 339 HA PRO 42 HA PRO 42 87.983 5.364 -11.220 340 HB2 PRO 42 HB2 PRO 42 89.432 3.444 -9.864 341 HB3 PRO 42 HB1 PRO 42 89.824 5.174 -9.855 342 HG2 PRO 42 HG2 PRO 42 88.409 3.546 -7.810 343 HG3 PRO 42 HG1 PRO 42 89.576 4.862 -7.600 344 HD2 PRO 42 HD2 PRO 42 86.887 5.218 -7.280 345 HD3 PRO 42 HD1 PRO 42 87.966 6.513 -7.847 346 HA PRO 43 HA PRO 43 85.946 1.758 -12.742 347 HB2 PRO 43 HB2 PRO 43 88.050 0.332 -13.866 348 HB3 PRO 43 HB1 PRO 43 87.243 1.715 -14.630 349 HG2 PRO 43 HG2 PRO 43 89.811 1.616 -13.139 350 HG3 PRO 43 HG1 PRO 43 89.372 2.552 -14.578 351 HD2 PRO 43 HD2 PRO 43 89.493 3.684 -12.112 352 HD3 PRO 43 HD1 PRO 43 88.326 4.224 -13.341 353 H LYS 44 HN LYS 44 85.197 0.010 -11.675 354 HA LYS 44 HA LYS 44 85.142 -1.497 -9.810 355 HB2 LYS 44 HB2 LYS 44 87.102 -2.598 -11.835 356 HB3 LYS 44 HB1 LYS 44 86.439 -3.549 -10.505 357 HG2 LYS 44 HG2 LYS 44 84.129 -2.907 -11.344 358 HG3 LYS 44 HG1 LYS 44 84.919 -2.256 -12.781 359 HD2 LYS 44 HD2 LYS 44 85.693 -4.373 -13.465 360 HD3 LYS 44 HD1 LYS 44 85.469 -5.073 -11.862 361 HE2 LYS 44 HE2 LYS 44 83.005 -4.787 -12.121 362 HE3 LYS 44 HE1 LYS 44 83.273 -4.201 -13.763 363 HZ1 LYS 44 HZ1 LYS 44 83.113 -6.341 -14.323 364 HZ2 LYS 44 HZ2 LYS 44 83.355 -6.888 -12.733 365 HZ3 LYS 44 HZ3 LYS 44 84.688 -6.497 -13.711 366 H LYS 45 HN LYS 45 88.000 -3.055 -9.893 367 HA LYS 45 HA LYS 45 88.860 -2.436 -7.331 368 HB2 LYS 45 HB2 LYS 45 89.763 -4.140 -9.179 369 HB3 LYS 45 HB1 LYS 45 90.980 -2.886 -9.400 370 HG2 LYS 45 HG2 LYS 45 91.984 -4.132 -7.720 371 HG3 LYS 45 HG1 LYS 45 91.074 -2.975 -6.747 372 HD2 LYS 45 HD2 LYS 45 89.173 -4.653 -6.715 373 HD3 LYS 45 HD1 LYS 45 90.284 -5.815 -7.441 374 HE2 LYS 45 HE2 LYS 45 90.381 -6.181 -5.074 375 HE3 LYS 45 HE1 LYS 45 91.865 -5.333 -5.506 376 HZ1 LYS 45 HZ1 LYS 45 91.103 -4.159 -3.688 377 HZ2 LYS 45 HZ2 LYS 45 89.470 -4.295 -4.139 378 HZ3 LYS 45 HZ3 LYS 45 90.501 -3.238 -4.980 379 H GLY 46 HN GLY 46 90.602 -1.072 -6.524 380 HA2 GLY 46 HA2 GLY 46 92.264 0.735 -7.087 381 HA3 GLY 46 HA1 GLY 46 91.050 1.372 -8.197 382 H VAL 47 HN VAL 47 92.139 1.325 -4.927 383 HA VAL 47 HA VAL 47 89.670 2.686 -3.985 384 HB VAL 47 HB VAL 47 91.322 0.808 -2.780 385 HG11 VAL 47 HG11 VAL 47 93.016 2.666 -2.504 386 HG12 VAL 47 HG12 VAL 47 92.508 1.912 -0.993 387 HG13 VAL 47 HG13 VAL 47 91.854 3.482 -1.457 388 HG21 VAL 47 HG21 VAL 47 90.033 1.407 -0.708 389 HG22 VAL 47 HG22 VAL 47 89.015 1.251 -2.140 390 HG23 VAL 47 HG23 VAL 47 89.452 2.850 -1.539 391 H GLN 48 HN GLN 48 92.990 3.291 -4.832 392 HA GLN 48 HA GLN 48 94.114 5.336 -5.107 393 HB2 GLN 48 HB2 GLN 48 91.571 6.003 -5.657 394 HB3 GLN 48 HB1 GLN 48 91.757 6.919 -4.162 395 HG2 GLN 48 HG2 GLN 48 93.868 7.907 -5.115 396 HG3 GLN 48 HG1 GLN 48 93.485 7.116 -6.644 397 HE21 GLN 48 HE21 GLN 48 92.431 8.502 -8.063 398 HE22 GLN 48 HE22 GLN 48 91.366 9.743 -7.609 399 H GLY 49 HN GLY 49 91.830 5.788 -2.384 400 HA2 GLY 49 HA2 GLY 49 94.003 5.688 -0.439 401 HA3 GLY 49 HA1 GLY 49 93.357 7.314 -0.675 402 H1U RCY 50 H1U RCY 50 84.599 4.950 1.696 403 H1S RCY 50 H1S RCY 50 87.991 2.300 1.043 404 HB1 RCY 50 HB1 RCY 50 90.361 3.714 3.354 405 HB2 RCY 50 HB2 RCY 50 91.859 3.486 2.452 406 HA RCY 50 HA RCY 50 90.184 5.960 2.053 407 HN1 RCY 50 HN1 RCY 50 93.116 5.931 1.799 408 H GLY 51 HN GLY 51 92.537 4.411 4.206 409 HA2 GLY 51 HA2 GLY 51 93.358 5.097 6.306 410 HA3 GLY 51 HA1 GLY 51 92.890 6.747 5.888 411 H ASP 52 HN ASP 52 91.244 7.573 7.079 412 HA ASP 52 HA ASP 52 88.946 5.916 7.816 413 HB2 ASP 52 HB2 ASP 52 90.885 6.937 9.907 414 HB3 ASP 52 HB1 ASP 52 89.225 6.472 10.283 415 H ASP 53 HN ASP 53 90.467 8.877 7.222 416 HA ASP 53 HA ASP 53 88.792 10.724 8.585 417 HB2 ASP 53 HB2 ASP 53 90.910 11.191 7.188 418 HB3 ASP 53 HB1 ASP 53 89.839 11.175 5.786 419 H ILE 54 HN ILE 54 87.555 12.264 6.572 420 HA ILE 54 HA ILE 54 85.662 10.421 5.219 421 HB ILE 54 HB ILE 54 84.258 12.650 6.519 422 HG12 ILE 54 HG12 ILE 54 85.524 10.502 8.254 423 HG13 ILE 54 HG11 ILE 54 85.959 12.212 8.268 424 HG21 ILE 54 HG21 ILE 54 83.812 9.678 6.834 425 HG22 ILE 54 HG22 ILE 54 83.345 10.539 5.368 426 HG23 ILE 54 HG23 ILE 54 82.619 10.974 6.914 427 HD11 ILE 54 HD11 ILE 54 83.439 12.630 8.732 428 HD12 ILE 54 HD12 ILE 54 84.435 12.025 10.056 429 HD13 ILE 54 HD13 ILE 54 83.388 10.921 9.165 430 HA PRO 55 HA PRO 55 86.618 14.148 2.685 431 HB2 PRO 55 HB2 PRO 55 87.755 12.907 0.577 432 HB3 PRO 55 HB1 PRO 55 88.661 13.220 2.071 433 HG2 PRO 55 HG2 PRO 55 87.493 10.689 1.069 434 HG3 PRO 55 HG1 PRO 55 88.961 10.961 2.019 435 HD2 PRO 55 HD2 PRO 55 86.458 10.126 3.030 436 HD3 PRO 55 HD1 PRO 55 87.837 10.704 3.990 437 H GLY 56 HN GLY 56 84.563 11.500 2.426 438 HA2 GLY 56 HA2 GLY 56 82.893 12.868 0.453 439 HA3 GLY 56 HA1 GLY 56 83.558 11.339 -0.123 440 H MET 57 HN MET 57 81.053 12.767 1.683 441 HA MET 57 HA MET 57 80.328 10.133 2.908 442 HB2 MET 57 HB2 MET 57 80.574 12.123 4.436 443 HB3 MET 57 HB1 MET 57 79.220 12.868 3.588 444 HG2 MET 57 HG2 MET 57 77.864 11.775 5.027 445 HG3 MET 57 HG1 MET 57 78.314 10.293 4.183 446 HE1 MET 57 HE1 MET 57 80.740 8.476 6.217 447 HE2 MET 57 HE2 MET 57 81.287 9.550 4.931 448 HE3 MET 57 HE3 MET 57 79.769 8.674 4.753 449 H GLU 58 HN GLU 58 79.142 12.763 0.850 450 HA GLU 58 HA GLU 58 77.268 12.863 -0.558 451 HB2 GLU 58 HB2 GLU 58 78.130 10.024 -0.540 452 HB3 GLU 58 HB1 GLU 58 76.472 10.291 -1.068 453 HG2 GLU 58 HG2 GLU 58 78.737 11.955 -2.165 454 HG3 GLU 58 HG1 GLU 58 78.337 10.386 -2.866 455 H GLY 59 HN GLY 59 74.904 12.315 -0.640 456 HA2 GLY 59 HA2 GLY 59 73.877 11.877 2.127 457 HA3 GLY 59 HA1 GLY 59 73.017 12.756 0.860 458 H1U RCY 60 H1U RCY 60 74.806 5.279 5.037 459 H1S RCY 60 H1S RCY 60 72.925 8.874 3.334 460 HB1 RCY 60 HB1 RCY 60 71.186 7.588 1.995 461 HB2 RCY 60 HB2 RCY 60 69.527 8.145 1.815 462 HA RCY 60 HA RCY 60 71.593 8.606 0.012 463 HN1 RCY 60 HN1 RCY 60 71.257 11.162 1.535 464 H GLY 61 HN GLY 61 68.527 9.429 1.410 465 HA2 GLY 61 HA2 GLY 61 66.507 10.112 0.433 466 HA3 GLY 61 HA1 GLY 61 67.465 10.945 -0.793 467 H THR 62 HN THR 62 68.739 9.145 -2.187 468 HA THR 62 HA THR 62 66.608 7.345 -3.243 469 HB THR 62 HB THR 62 67.314 8.664 -5.030 470 HG1 THR 62 HG1 THR 62 69.427 6.973 -5.449 471 HG21 THR 62 HG21 THR 62 69.802 9.185 -5.347 472 HG22 THR 62 HG22 THR 62 70.030 8.564 -3.712 473 HG23 THR 62 HG23 THR 62 69.005 9.973 -3.985 474 H ASP 63 HN ASP 63 66.822 5.338 -2.359 475 HA ASP 63 HA ASP 63 69.314 4.276 -1.364 476 HB2 ASP 63 HB2 ASP 63 67.968 2.075 -1.399 477 HB3 ASP 63 HB1 ASP 63 67.344 3.379 -0.389 478 H ILE 64 HN ILE 64 69.632 5.173 -4.051 479 HA ILE 64 HA ILE 64 70.591 2.661 -5.302 480 HB ILE 64 HB ILE 64 68.743 4.668 -6.636 481 HG12 ILE 64 HG12 ILE 64 67.821 2.184 -7.245 482 HG13 ILE 64 HG11 ILE 64 68.536 1.871 -5.663 483 HG21 ILE 64 HG21 ILE 64 70.561 2.551 -7.798 484 HG22 ILE 64 HG22 ILE 64 70.443 4.252 -8.248 485 HG23 ILE 64 HG23 ILE 64 69.140 3.137 -8.662 486 HD11 ILE 64 HD11 ILE 64 67.269 4.070 -4.972 487 HD12 ILE 64 HD12 ILE 64 66.384 2.547 -5.069 488 HD13 ILE 64 HD13 ILE 64 66.278 3.714 -6.387 489 H THR 65 HN THR 65 70.622 6.081 -4.879 490 HA THR 65 HA THR 65 72.090 7.760 -5.636 491 HB THR 65 HB THR 65 74.279 7.405 -4.816 492 HG1 THR 65 HG1 THR 65 74.833 5.637 -6.064 493 HG21 THR 65 HG21 THR 65 73.957 6.088 -2.737 494 HG22 THR 65 HG22 THR 65 72.451 5.448 -3.396 495 HG23 THR 65 HG23 THR 65 72.600 7.170 -3.048 496 H VAL 66 HN VAL 66 71.173 5.755 -7.684 497 HA VAL 66 HA VAL 66 71.538 5.415 -9.976 498 HB VAL 66 HB VAL 66 73.902 7.290 -9.794 499 HG11 VAL 66 HG11 VAL 66 71.844 6.679 -11.938 500 HG12 VAL 66 HG12 VAL 66 73.528 6.157 -11.935 501 HG13 VAL 66 HG13 VAL 66 73.135 7.870 -12.089 502 HG21 VAL 66 HG21 VAL 66 72.118 9.073 -10.346 503 HG22 VAL 66 HG22 VAL 66 72.216 8.530 -8.671 504 HG23 VAL 66 HG23 VAL 66 70.945 7.911 -9.725 505 H ILE 67 HN ILE 67 74.402 5.450 -7.903 506 HA ILE 67 HA ILE 67 75.303 2.945 -9.252 507 HB ILE 67 HB ILE 67 77.226 5.082 -8.308 508 HG12 ILE 67 HG12 ILE 67 76.107 4.627 -11.093 509 HG13 ILE 67 HG11 ILE 67 75.867 6.061 -10.095 510 HG21 ILE 67 HG21 ILE 67 78.872 3.762 -9.267 511 HG22 ILE 67 HG22 ILE 67 77.764 3.052 -10.442 512 HG23 ILE 67 HG23 ILE 67 77.734 2.511 -8.763 513 HD11 ILE 67 HD11 ILE 67 78.471 5.068 -11.279 514 HD12 ILE 67 HD12 ILE 67 78.381 6.350 -10.072 515 HD13 ILE 67 HD13 ILE 67 77.631 6.573 -11.652 516 H1U RCY 68 H1U RCY 68 77.821 2.264 -0.310 517 H1S RCY 68 H1S RCY 68 75.095 3.891 -3.313 518 HB1 RCY 68 HB1 RCY 68 73.893 0.740 -4.017 519 HB2 RCY 68 HB2 RCY 68 73.165 1.064 -5.588 520 HA RCY 68 HA RCY 68 75.785 2.345 -4.829 521 HN1 RCY 68 HN1 RCY 68 74.481 1.761 -7.455 522 HA PRO 69 HA PRO 69 78.429 -1.126 -4.417 523 HB2 PRO 69 HB2 PRO 69 76.189 -2.381 -2.855 524 HB3 PRO 69 HB1 PRO 69 77.927 -2.354 -2.497 525 HG2 PRO 69 HG2 PRO 69 76.116 -0.633 -1.400 526 HG3 PRO 69 HG1 PRO 69 77.837 -0.277 -1.594 527 HD2 PRO 69 HD2 PRO 69 75.611 1.015 -2.901 528 HD3 PRO 69 HD1 PRO 69 77.344 1.367 -3.093 529 H TRP 70 HN TRP 70 75.084 -2.447 -4.701 530 HA TRP 70 HA TRP 70 75.952 -4.714 -6.240 531 HD1 TRP 70 HD1 TRP 70 73.734 -2.890 -3.533 532 HE1 TRP 70 HE1 TRP 70 72.089 -0.907 -3.525 533 HE3 TRP 70 HE3 TRP 70 71.973 -3.188 -8.316 534 HZ2 TRP 70 HZ2 TRP 70 70.262 0.385 -5.314 535 HZ3 TRP 70 HZ3 TRP 70 70.285 -1.574 -9.137 536 HH2 TRP 70 HH2 TRP 70 69.427 0.210 -7.647 537 HB2 TRP 70 HB2 TRP 70 73.416 -4.718 -6.911 538 HB3 TRP 70 HB1 TRP 70 73.865 -5.038 -5.237 539 H GLU 71 HN GLU 71 76.535 -1.789 -7.155 540 HA GLU 71 HA GLU 71 76.144 -2.370 -10.027 541 HB2 GLU 71 HB2 GLU 71 74.805 -0.163 -8.521 542 HB3 GLU 71 HB1 GLU 71 75.460 0.238 -10.107 543 HG2 GLU 71 HG2 GLU 71 73.647 -2.138 -9.613 544 HG3 GLU 71 HG1 GLU 71 73.054 -0.559 -10.130 545 H ALA 72 HN ALA 72 77.585 -0.461 -7.449 546 HA ALA 72 HA ALA 72 79.447 0.934 -9.201 547 HB1 ALA 72 HB1 ALA 72 80.289 1.931 -7.246 548 HB2 ALA 72 HB2 ALA 72 79.863 0.545 -6.242 549 HB3 ALA 72 HB3 ALA 72 78.602 1.627 -6.833 550 H1U RCY 73 H1U RCY 73 79.160 1.963 -4.287 551 H1S RCY 73 H1S RCY 73 83.978 1.563 -4.852 552 HB1 RCY 73 HB1 RCY 73 84.286 -1.985 -6.209 553 HB2 RCY 73 HB2 RCY 73 82.987 -1.042 -5.479 554 HA RCY 73 HA RCY 73 83.257 -1.372 -8.471 555 HN1 RCY 73 HN1 RCY 73 81.540 0.235 -6.966 556 H ASN 74 HN ASN 74 80.480 -2.352 -6.602 557 HA ASN 74 HA ASN 74 79.566 -4.481 -6.198 558 HB2 ASN 74 HB2 ASN 74 81.129 -5.201 -8.699 559 HB3 ASN 74 HB1 ASN 74 79.719 -6.045 -8.058 560 HD21 ASN 74 HD21 ASN 74 79.676 -4.964 -10.697 561 HD22 ASN 74 HD22 ASN 74 78.582 -3.667 -10.735 562 H HIS 75 HN HIS 75 81.693 -6.590 -7.607 563 HA HIS 75 HA HIS 75 83.121 -8.182 -6.617 564 HD1 HIS 75 HD1 HIS 75 85.364 -6.329 -3.413 565 HD2 HIS 75 HD2 HIS 75 86.090 -8.949 -6.576 566 HE1 HIS 75 HE1 HIS 75 87.084 -7.992 -2.583 567 HE2 HIS 75 HE2 HIS 75 87.536 -9.593 -4.499 568 HB2 HIS 75 HB2 HIS 75 84.716 -6.395 -7.045 569 HB3 HIS 75 HB1 HIS 75 84.249 -5.576 -5.555 570 H1U RCY 76 H1U RCY 76 75.112 -6.647 -1.465 571 H1S RCY 76 H1S RCY 76 78.997 -3.796 -2.158 572 HB1 RCY 76 HB1 RCY 76 80.805 -7.189 -1.118 573 HB2 RCY 76 HB2 RCY 76 80.570 -7.138 -2.865 574 HA RCY 76 HA RCY 76 83.230 -6.467 -1.593 575 HN1 RCY 76 HN1 RCY 76 83.564 -6.025 -3.882 576 H GLU 77 HN GLU 77 84.752 -8.448 -2.545 577 HA GLU 77 HA GLU 77 83.575 -11.082 -2.327 578 HB2 GLU 77 HB2 GLU 77 85.648 -10.677 -3.598 579 HB3 GLU 77 HB1 GLU 77 86.472 -10.205 -2.112 580 HG2 GLU 77 HG2 GLU 77 86.219 -12.418 -1.182 581 HG3 GLU 77 HG1 GLU 77 85.171 -12.911 -2.512 582 H LEU 78 HN LEU 78 86.324 -10.161 -0.313 583 HA LEU 78 HA LEU 78 84.860 -10.175 2.181 584 HG LEU 78 HG LEU 78 85.601 -11.487 4.015 585 HB2 LEU 78 HB2 LEU 78 84.677 -12.569 1.663 586 HB3 LEU 78 HB1 LEU 78 86.422 -12.669 1.438 587 HD11 LEU 78 HD11 LEU 78 83.880 -13.078 4.119 588 HD12 LEU 78 HD12 LEU 78 85.229 -13.929 4.872 589 HD13 LEU 78 HD13 LEU 78 84.797 -14.269 3.196 590 HD21 LEU 78 HD21 LEU 78 87.443 -12.808 4.822 591 HD22 LEU 78 HD22 LEU 78 87.936 -12.152 3.261 592 HD23 LEU 78 HD23 LEU 78 87.414 -13.832 3.387 593 H HIS 79 HN HIS 79 86.311 -9.822 3.998 594 HA HIS 79 HA HIS 79 89.164 -9.342 3.255 595 HD1 HIS 79 HD1 HIS 79 88.564 -7.754 1.328 596 HD2 HIS 79 HD2 HIS 79 85.666 -6.021 3.777 597 HE1 HIS 79 HE1 HIS 79 86.893 -6.642 -0.217 598 HE2 HIS 79 HE2 HIS 79 85.124 -5.583 1.261 599 HB2 HIS 79 HB2 HIS 79 87.681 -7.416 5.035 600 HB3 HIS 79 HB1 HIS 79 89.167 -7.160 4.122 601 H GLU 80 HN GLU 80 87.314 -8.673 6.231 602 HA GLU 80 HA GLU 80 88.668 -10.948 7.575 603 HB2 GLU 80 HB2 GLU 80 89.010 -8.031 8.269 604 HB3 GLU 80 HB1 GLU 80 89.186 -9.281 9.501 605 HG2 GLU 80 HG2 GLU 80 90.957 -10.355 8.249 606 HG3 GLU 80 HG1 GLU 80 90.702 -9.277 6.876 607 H LEU 81 HN LEU 81 86.908 -8.069 8.745 608 HA LEU 81 HA LEU 81 85.203 -9.687 10.435 609 HG LEU 81 HG LEU 81 86.950 -6.817 10.126 610 HB2 LEU 81 HB2 LEU 81 84.601 -6.855 9.576 611 HB3 LEU 81 HB1 LEU 81 84.206 -7.645 11.102 612 HD11 LEU 81 HD11 LEU 81 85.480 -5.078 11.174 613 HD12 LEU 81 HD12 LEU 81 86.940 -5.405 12.108 614 HD13 LEU 81 HD13 LEU 81 85.394 -6.080 12.623 615 HD21 LEU 81 HD21 LEU 81 86.089 -8.590 12.419 616 HD22 LEU 81 HD22 LEU 81 87.630 -7.732 12.434 617 HD23 LEU 81 HD23 LEU 81 87.296 -8.925 11.178 618 H ALA 82 HN ALA 82 85.050 -8.564 7.150 619 HA ALA 82 HA ALA 82 82.200 -8.767 6.782 620 HB1 ALA 82 HB1 ALA 82 84.516 -8.977 4.837 621 HB2 ALA 82 HB2 ALA 82 83.519 -7.556 5.153 622 HB3 ALA 82 HB3 ALA 82 82.824 -8.959 4.342 623 H GLN 83 HN GLN 83 83.513 -11.076 8.171 624 HA GLN 83 HA GLN 83 83.827 -13.383 6.664 625 HB2 GLN 83 HB2 GLN 83 84.035 -13.450 9.077 626 HB3 GLN 83 HB1 GLN 83 82.333 -13.043 9.282 627 HG2 GLN 83 HG2 GLN 83 82.716 -15.382 7.566 628 HG3 GLN 83 HG1 GLN 83 83.379 -15.619 9.183 629 HE21 GLN 83 HE21 GLN 83 80.813 -16.686 7.850 630 HE22 GLN 83 HE22 GLN 83 79.584 -16.288 8.950 631 H TYR 84 HN TYR 84 80.734 -11.930 7.693 632 HA TYR 84 HA TYR 84 79.390 -12.672 5.289 633 HD1 TYR 84 HD1 TYR 84 79.347 -14.923 4.017 634 HD2 TYR 84 HD2 TYR 84 76.156 -14.526 6.864 635 HE1 TYR 84 HE1 TYR 84 77.711 -15.587 2.275 636 HE2 TYR 84 HE2 TYR 84 74.519 -15.191 5.123 637 HH TYR 84 HH TYR 84 75.515 -15.686 1.761 638 HB2 TYR 84 HB2 TYR 84 79.702 -14.941 6.576 639 HB3 TYR 84 HB1 TYR 84 78.385 -14.343 7.584 640 H GLY 85 HN GLY 85 79.690 -10.562 7.453 641 HA2 GLY 85 HA2 GLY 85 77.069 -10.266 8.661 642 HA3 GLY 85 HA1 GLY 85 78.311 -9.014 8.578 643 H ILE 86 HN ILE 86 76.818 -10.804 5.901 644 HA ILE 86 HA ILE 86 76.612 -8.963 3.963 645 HB ILE 86 HB ILE 86 74.259 -9.850 3.449 646 HG12 ILE 86 HG12 ILE 86 74.857 -11.770 5.698 647 HG13 ILE 86 HG11 ILE 86 73.913 -10.308 5.986 648 HG21 ILE 86 HG21 ILE 86 76.596 -11.712 3.958 649 HG22 ILE 86 HG22 ILE 86 76.206 -10.880 2.453 650 HG23 ILE 86 HG23 ILE 86 75.161 -12.173 3.042 651 HD11 ILE 86 HD11 ILE 86 72.246 -10.972 4.386 652 HD12 ILE 86 HD12 ILE 86 72.540 -12.365 5.427 653 HD13 ILE 86 HD13 ILE 86 73.246 -12.306 3.811 654 H1U RCY 87 H1U RCY 87 78.619 -1.113 1.131 655 H1S RCY 87 H1S RCY 87 74.852 -1.070 3.316 656 HB1 RCY 87 HB1 RCY 87 76.067 -4.708 3.676 657 HB2 RCY 87 HB2 RCY 87 76.162 -4.050 5.307 658 HA RCY 87 HA RCY 87 74.650 -5.573 6.149 659 HN1 RCY 87 HN1 RCY 87 76.291 -6.814 4.155 Start of MODEL 67 1 HA MET 1 HA MET 1 61.194 5.700 17.582 2 HB2 MET 1 HB2 MET 1 62.676 7.268 19.135 3 HB3 MET 1 HB1 MET 1 61.196 8.224 19.207 4 HG2 MET 1 HG2 MET 1 59.981 6.063 19.808 5 HG3 MET 1 HG1 MET 1 61.572 5.334 20.022 6 HE1 MET 1 HE1 MET 1 59.502 8.566 22.479 7 HE2 MET 1 HE2 MET 1 58.732 7.113 21.846 8 HE3 MET 1 HE3 MET 1 59.386 8.312 20.733 9 H ASN 2 HN ASN 2 59.307 7.533 19.102 10 HA ASN 2 HA ASN 2 57.134 8.342 18.744 11 HB2 ASN 2 HB2 ASN 2 58.541 10.221 17.803 12 HB3 ASN 2 HB1 ASN 2 58.321 9.500 16.209 13 HD21 ASN 2 HD21 ASN 2 55.553 8.845 18.004 14 HD22 ASN 2 HD22 ASN 2 54.591 10.144 17.484 15 H LEU 3 HN LEU 3 55.777 6.652 18.300 16 HA LEU 3 HA LEU 3 55.879 4.804 16.228 17 HG LEU 3 HG LEU 3 55.087 3.452 17.839 18 HB2 LEU 3 HB2 LEU 3 53.881 5.723 18.119 19 HB3 LEU 3 HB1 LEU 3 53.119 5.362 16.573 20 HD11 LEU 3 HD11 LEU 3 52.976 2.222 18.601 21 HD12 LEU 3 HD12 LEU 3 52.114 3.736 18.324 22 HD13 LEU 3 HD13 LEU 3 53.406 3.662 19.522 23 HD21 LEU 3 HD21 LEU 3 53.785 1.832 16.437 24 HD22 LEU 3 HD22 LEU 3 54.578 3.086 15.483 25 HD23 LEU 3 HD23 LEU 3 52.847 3.187 15.808 26 H GLU 4 HN GLU 4 56.528 5.771 14.256 27 HA GLU 4 HA GLU 4 54.858 7.881 13.059 28 HB2 GLU 4 HB2 GLU 4 57.470 6.601 12.502 29 HB3 GLU 4 HB1 GLU 4 56.553 7.024 11.058 30 HG2 GLU 4 HG2 GLU 4 57.908 8.937 11.632 31 HG3 GLU 4 HG1 GLU 4 56.239 9.333 12.044 32 HA PRO 5 HA PRO 5 51.915 5.698 10.628 33 HB2 PRO 5 HB2 PRO 5 53.653 6.324 8.257 34 HB3 PRO 5 HB1 PRO 5 51.891 6.464 8.423 35 HG2 PRO 5 HG2 PRO 5 53.528 8.582 8.632 36 HG3 PRO 5 HG1 PRO 5 52.022 8.448 9.553 37 HD2 PRO 5 HD2 PRO 5 54.794 8.337 10.529 38 HD3 PRO 5 HD1 PRO 5 53.291 8.566 11.448 39 HA PRO 6 HA PRO 6 54.297 1.837 10.394 40 HB2 PRO 6 HB2 PRO 6 52.206 0.121 10.674 41 HB3 PRO 6 HB1 PRO 6 52.897 1.018 12.040 42 HG2 PRO 6 HG2 PRO 6 50.421 1.562 10.487 43 HG3 PRO 6 HG1 PRO 6 50.730 1.740 12.222 44 HD2 PRO 6 HD2 PRO 6 50.742 3.844 10.421 45 HD3 PRO 6 HD1 PRO 6 51.599 3.857 11.977 46 H LYS 7 HN LYS 7 54.796 0.482 8.687 47 HA LYS 7 HA LYS 7 52.837 0.116 6.492 48 HB2 LYS 7 HB2 LYS 7 54.794 0.652 4.870 49 HB3 LYS 7 HB1 LYS 7 53.945 2.008 5.611 50 HG2 LYS 7 HG2 LYS 7 55.677 2.228 7.307 51 HG3 LYS 7 HG1 LYS 7 56.496 0.787 6.703 52 HD2 LYS 7 HD2 LYS 7 57.115 1.855 4.675 53 HD3 LYS 7 HD1 LYS 7 55.979 3.180 4.934 54 HE2 LYS 7 HE2 LYS 7 58.449 3.682 5.419 55 HE3 LYS 7 HE1 LYS 7 57.296 4.107 6.684 56 HZ1 LYS 7 HZ1 LYS 7 57.841 2.173 7.896 57 HZ2 LYS 7 HZ2 LYS 7 59.320 2.877 7.443 58 HZ3 LYS 7 HZ3 LYS 7 58.733 1.517 6.610 59 H ALA 8 HN ALA 8 55.040 -1.140 8.592 60 HA ALA 8 HA ALA 8 56.135 -3.207 8.731 61 HB1 ALA 8 HB1 ALA 8 53.772 -3.877 7.942 62 HB2 ALA 8 HB2 ALA 8 55.067 -5.045 7.682 63 HB3 ALA 8 HB3 ALA 8 54.492 -4.051 6.342 64 H GLU 9 HN GLU 9 58.245 -2.851 8.115 65 HA GLU 9 HA GLU 9 58.977 -2.302 5.351 66 HB2 GLU 9 HB2 GLU 9 60.265 -2.266 7.940 67 HB3 GLU 9 HB1 GLU 9 61.266 -3.170 6.804 68 HG2 GLU 9 HG2 GLU 9 60.098 -0.439 6.199 69 HG3 GLU 9 HG1 GLU 9 61.724 -0.686 6.837 70 H1U RCY 10 H1U RCY 10 62.372 -11.144 2.094 71 H1S RCY 10 H1S RCY 10 60.256 -8.693 4.488 72 HB1 RCY 10 HB1 RCY 10 57.985 -7.485 7.448 73 HB2 RCY 10 HB2 RCY 10 59.735 -7.296 7.340 74 HA RCY 10 HA RCY 10 59.537 -6.776 4.938 75 HN1 RCY 10 HN1 RCY 10 57.760 -5.001 6.570 76 H ARG 11 HN ARG 11 57.012 -8.554 6.098 77 HA ARG 11 HA ARG 11 55.203 -9.527 4.942 78 HE ARG 11 HE ARG 11 51.717 -8.532 5.172 79 HB2 ARG 11 HB2 ARG 11 54.722 -6.553 4.641 80 HB3 ARG 11 HB1 ARG 11 53.541 -7.766 4.148 81 HG2 ARG 11 HG2 ARG 11 53.768 -8.720 6.522 82 HG3 ARG 11 HG1 ARG 11 54.596 -7.216 6.926 83 HD2 ARG 11 HD2 ARG 11 52.290 -6.864 7.462 84 HD3 ARG 11 HD1 ARG 11 52.580 -5.994 5.956 85 HH11 ARG 11 HH21 ARG 11 50.591 -5.930 7.133 86 HH12 ARG 11 HH22 ARG 11 48.916 -6.242 6.818 87 HH21 ARG 11 HH11 ARG 11 49.536 -8.955 4.750 88 HH22 ARG 11 HH12 ARG 11 48.319 -7.954 5.470 89 H SER 12 HN SER 12 55.122 -6.797 2.758 90 HA SER 12 HA SER 12 55.716 -8.646 0.513 91 HG SER 12 HG SER 12 55.571 -6.023 -1.365 92 HB2 SER 12 HB2 SER 12 53.699 -7.296 0.289 93 HB3 SER 12 HB1 SER 12 54.616 -5.820 0.578 94 H ALA 13 HN ALA 13 56.749 -6.974 -1.382 95 HA ALA 13 HA ALA 13 58.740 -5.962 -2.097 96 HB1 ALA 13 HB1 ALA 13 57.968 -4.362 -0.150 97 HB2 ALA 13 HB2 ALA 13 59.602 -4.225 -0.798 98 HB3 ALA 13 HB3 ALA 13 59.324 -5.085 0.717 99 H THR 14 HN THR 14 58.584 -8.367 0.259 100 HA THR 14 HA THR 14 61.164 -9.442 -0.504 101 HB THR 14 HB THR 14 60.936 -8.714 2.417 102 HG1 THR 14 HG1 THR 14 60.887 -6.813 1.097 103 HG21 THR 14 HG21 THR 14 63.386 -9.008 2.312 104 HG22 THR 14 HG22 THR 14 63.266 -9.360 0.588 105 HG23 THR 14 HG23 THR 14 62.545 -10.458 1.765 106 H ARG 15 HN ARG 15 58.558 -10.465 -0.611 107 HA ARG 15 HA ARG 15 58.144 -12.224 1.705 108 HE ARG 15 HE ARG 15 55.401 -13.590 -1.845 109 HB2 ARG 15 HB2 ARG 15 56.251 -11.255 0.360 110 HB3 ARG 15 HB1 ARG 15 56.756 -12.270 -0.991 111 HG2 ARG 15 HG2 ARG 15 56.457 -14.283 0.418 112 HG3 ARG 15 HG1 ARG 15 55.920 -13.261 1.752 113 HD2 ARG 15 HD2 ARG 15 54.035 -14.275 0.423 114 HD3 ARG 15 HD1 ARG 15 53.996 -12.513 0.491 115 HH11 ARG 15 HH21 ARG 15 52.440 -12.552 -0.416 116 HH12 ARG 15 HH22 ARG 15 51.683 -12.187 -1.931 117 HH21 ARG 15 HH11 ARG 15 54.429 -13.119 -3.831 118 HH22 ARG 15 HH12 ARG 15 52.809 -12.508 -3.864 119 H VAL 16 HN VAL 16 59.379 -12.474 -1.601 120 HA VAL 16 HA VAL 16 60.898 -14.842 -0.945 121 HB VAL 16 HB VAL 16 58.546 -15.762 -1.203 122 HG11 VAL 16 HG11 VAL 16 57.500 -15.767 -3.341 123 HG12 VAL 16 HG12 VAL 16 58.961 -15.189 -4.142 124 HG13 VAL 16 HG13 VAL 16 58.039 -14.105 -3.100 125 HG21 VAL 16 HG21 VAL 16 60.822 -16.945 -1.754 126 HG22 VAL 16 HG22 VAL 16 60.289 -16.796 -3.428 127 HG23 VAL 16 HG23 VAL 16 59.315 -17.703 -2.270 128 H MET 17 HN MET 17 60.963 -12.119 -2.306 129 HA MET 17 HA MET 17 62.054 -11.138 -4.134 130 HB2 MET 17 HB2 MET 17 63.312 -13.897 -4.235 131 HB3 MET 17 HB1 MET 17 63.889 -12.499 -5.140 132 HG2 MET 17 HG2 MET 17 63.520 -12.303 -2.163 133 HG3 MET 17 HG1 MET 17 64.977 -13.046 -2.821 134 HE1 MET 17 HE1 MET 17 66.969 -10.626 -4.489 135 HE2 MET 17 HE2 MET 17 65.652 -11.046 -5.582 136 HE3 MET 17 HE3 MET 17 66.295 -12.261 -4.479 137 H GLY 18 HN GLY 18 62.081 -11.104 -6.501 138 HA2 GLY 18 HA2 GLY 18 59.855 -12.723 -7.626 139 HA3 GLY 18 HA1 GLY 18 60.496 -11.238 -8.331 140 H GLY 19 HN GLY 19 60.233 -14.263 -9.188 141 HA2 GLY 19 HA2 GLY 19 62.788 -15.356 -9.621 142 HA3 GLY 19 HA1 GLY 19 61.420 -15.603 -10.709 143 HA PRO 20 HA PRO 20 62.816 -12.988 -13.964 144 HB2 PRO 20 HB2 PRO 20 61.103 -10.706 -13.051 145 HB3 PRO 20 HB1 PRO 20 61.226 -11.451 -14.658 146 HG2 PRO 20 HG2 PRO 20 59.159 -11.935 -13.050 147 HG3 PRO 20 HG1 PRO 20 59.831 -13.188 -14.106 148 HD2 PRO 20 HD2 PRO 20 60.058 -12.904 -11.148 149 HD3 PRO 20 HD1 PRO 20 60.097 -14.373 -12.148 150 H1U RCY 21 H1U RCY 21 64.277 -5.744 -8.387 151 H1S RCY 21 H1S RCY 21 67.491 -8.190 -11.098 152 HB1 RCY 21 HB1 RCY 21 67.639 -11.293 -12.906 153 HB2 RCY 21 HB2 RCY 21 66.443 -12.212 -11.993 154 HA RCY 21 HA RCY 21 65.281 -9.707 -12.135 155 HN1 RCY 21 HN1 RCY 21 64.710 -11.831 -14.148 156 H THR 22 HN THR 22 65.062 -8.060 -13.662 157 HA THR 22 HA THR 22 65.968 -8.087 -16.342 158 HB THR 22 HB THR 22 65.882 -5.680 -14.507 159 HG1 THR 22 HG1 THR 22 63.923 -6.720 -14.402 160 HG21 THR 22 HG21 THR 22 65.559 -5.999 -17.505 161 HG22 THR 22 HG22 THR 22 66.944 -5.278 -16.684 162 HG23 THR 22 HG23 THR 22 65.368 -4.488 -16.616 163 HA PRO 23 HA PRO 23 70.395 -8.162 -15.217 164 HB2 PRO 23 HB2 PRO 23 70.816 -8.309 -18.136 165 HB3 PRO 23 HB1 PRO 23 71.306 -9.452 -16.874 166 HG2 PRO 23 HG2 PRO 23 69.339 -9.974 -18.640 167 HG3 PRO 23 HG1 PRO 23 69.352 -10.624 -16.993 168 HD2 PRO 23 HD2 PRO 23 67.725 -8.368 -18.116 169 HD3 PRO 23 HD1 PRO 23 67.284 -9.576 -16.886 170 H ARG 24 HN ARG 24 71.312 -6.194 -14.756 171 HA ARG 24 HA ARG 24 70.685 -3.759 -16.065 172 HE ARG 24 HE ARG 24 75.699 -6.830 -14.622 173 HB2 ARG 24 HB2 ARG 24 72.946 -2.993 -15.043 174 HB3 ARG 24 HB1 ARG 24 71.681 -3.527 -13.940 175 HG2 ARG 24 HG2 ARG 24 73.789 -4.575 -13.296 176 HG3 ARG 24 HG1 ARG 24 72.704 -5.810 -13.937 177 HD2 ARG 24 HD2 ARG 24 73.904 -6.025 -15.925 178 HD3 ARG 24 HD1 ARG 24 74.597 -4.408 -15.799 179 HH11 ARG 24 HH21 ARG 24 75.338 -3.411 -14.372 180 HH12 ARG 24 HH22 ARG 24 76.792 -3.190 -13.457 181 HH21 ARG 24 HH11 ARG 24 77.600 -6.562 -13.429 182 HH22 ARG 24 HH12 ARG 24 78.073 -4.975 -12.924 183 H LYS 25 HN LYS 25 73.130 -2.571 -16.782 184 HA LYS 25 HA LYS 25 73.382 -3.146 -19.495 185 HB2 LYS 25 HB2 LYS 25 75.193 -1.899 -17.469 186 HB3 LYS 25 HB1 LYS 25 75.896 -2.323 -19.029 187 HG2 LYS 25 HG2 LYS 25 75.037 -0.019 -19.076 188 HG3 LYS 25 HG1 LYS 25 74.109 -1.044 -20.172 189 HD2 LYS 25 HD2 LYS 25 72.356 -1.307 -18.471 190 HD3 LYS 25 HD1 LYS 25 73.288 -0.324 -17.342 191 HE2 LYS 25 HE2 LYS 25 71.594 1.076 -18.394 192 HE3 LYS 25 HE1 LYS 25 73.185 1.568 -18.974 193 HZ1 LYS 25 HZ1 LYS 25 71.123 -0.013 -20.378 194 HZ2 LYS 25 HZ2 LYS 25 72.750 -0.056 -20.865 195 HZ3 LYS 25 HZ3 LYS 25 71.893 1.411 -20.885 196 H GLY 26 HN GLY 26 76.386 -3.805 -17.842 197 HA2 GLY 26 HA2 GLY 26 76.650 -6.465 -17.503 198 HA3 GLY 26 HA1 GLY 26 76.547 -6.390 -19.262 199 HA PRO 27 HA PRO 27 80.779 -5.402 -19.833 200 HB2 PRO 27 HB2 PRO 27 80.689 -2.854 -21.036 201 HB3 PRO 27 HB1 PRO 27 80.594 -4.410 -21.879 202 HG2 PRO 27 HG2 PRO 27 78.430 -2.546 -21.102 203 HG3 PRO 27 HG1 PRO 27 78.555 -3.619 -22.506 204 HD2 PRO 27 HD2 PRO 27 76.944 -4.199 -20.401 205 HD3 PRO 27 HD1 PRO 27 77.766 -5.471 -21.334 206 HA PRO 28 HA PRO 28 82.778 -3.113 -16.647 207 HB2 PRO 28 HB2 PRO 28 83.834 -1.288 -18.787 208 HB3 PRO 28 HB1 PRO 28 84.696 -2.052 -17.437 209 HG2 PRO 28 HG2 PRO 28 84.817 -3.007 -19.941 210 HG3 PRO 28 HG1 PRO 28 84.887 -4.057 -18.517 211 HD2 PRO 28 HD2 PRO 28 82.734 -3.785 -20.509 212 HD3 PRO 28 HD1 PRO 28 83.014 -5.082 -19.327 213 H LYS 29 HN LYS 29 82.578 -1.108 -15.445 214 HA LYS 29 HA LYS 29 81.002 1.083 -16.628 215 HB2 LYS 29 HB2 LYS 29 79.193 0.961 -15.029 216 HB3 LYS 29 HB1 LYS 29 79.330 -0.619 -15.800 217 HG2 LYS 29 HG2 LYS 29 80.841 -1.284 -13.844 218 HG3 LYS 29 HG1 LYS 29 80.291 0.193 -13.051 219 HD2 LYS 29 HD2 LYS 29 77.916 -0.603 -13.439 220 HD3 LYS 29 HD1 LYS 29 78.595 -2.148 -13.953 221 HE2 LYS 29 HE2 LYS 29 79.781 -2.300 -11.751 222 HE3 LYS 29 HE1 LYS 29 78.944 -0.833 -11.243 223 HZ1 LYS 29 HZ1 LYS 29 77.412 -2.277 -10.516 224 HZ2 LYS 29 HZ2 LYS 29 77.938 -3.531 -11.536 225 HZ3 LYS 29 HZ3 LYS 29 76.912 -2.317 -12.137 226 H1U RCY 30 H1U RCY 30 81.018 6.233 -7.716 227 H1S RCY 30 H1S RCY 30 78.878 3.958 -11.448 228 HB1 RCY 30 HB1 RCY 30 82.258 4.292 -12.077 229 HB2 RCY 30 HB2 RCY 30 82.644 2.570 -12.029 230 HA RCY 30 HA RCY 30 82.764 4.491 -14.314 231 HN1 RCY 30 HN1 RCY 30 81.655 2.998 -15.741 232 H LYS 31 HN LYS 31 84.925 4.862 -14.176 233 HA LYS 31 HA LYS 31 86.742 2.589 -13.552 234 HB2 LYS 31 HB2 LYS 31 87.554 4.508 -15.705 235 HB3 LYS 31 HB1 LYS 31 88.025 2.826 -15.475 236 HG2 LYS 31 HG2 LYS 31 85.192 3.601 -16.189 237 HG3 LYS 31 HG1 LYS 31 86.418 3.311 -17.424 238 HD2 LYS 31 HD2 LYS 31 86.196 1.246 -15.302 239 HD3 LYS 31 HD1 LYS 31 84.843 1.348 -16.429 240 HE2 LYS 31 HE2 LYS 31 86.823 -0.197 -17.066 241 HE3 LYS 31 HE1 LYS 31 86.214 0.906 -18.300 242 HZ1 LYS 31 HZ1 LYS 31 87.963 2.451 -17.777 243 HZ2 LYS 31 HZ2 LYS 31 88.645 0.933 -18.121 244 HZ3 LYS 31 HZ3 LYS 31 88.519 1.465 -16.513 245 H GLN 32 HN GLN 32 86.261 6.051 -13.856 246 HA GLN 32 HA GLN 32 88.787 6.777 -12.639 247 HB2 GLN 32 HB2 GLN 32 87.163 8.230 -14.090 248 HB3 GLN 32 HB1 GLN 32 86.340 8.535 -12.560 249 HG2 GLN 32 HG2 GLN 32 88.696 9.121 -11.648 250 HG3 GLN 32 HG1 GLN 32 89.165 9.240 -13.344 251 HE21 GLN 32 HE21 GLN 32 87.273 10.560 -14.652 252 HE22 GLN 32 HE22 GLN 32 86.847 12.029 -13.916 253 H ARG 33 HN ARG 33 86.907 4.836 -11.224 254 HA ARG 33 HA ARG 33 86.093 4.462 -9.047 255 HE ARG 33 HE ARG 33 90.676 4.156 -7.433 256 HB2 ARG 33 HB2 ARG 33 88.670 4.816 -8.861 257 HB3 ARG 33 HB1 ARG 33 88.248 6.373 -8.150 258 HG2 ARG 33 HG2 ARG 33 86.940 5.282 -6.412 259 HG3 ARG 33 HG1 ARG 33 87.194 3.707 -7.163 260 HD2 ARG 33 HD2 ARG 33 89.358 5.492 -6.011 261 HD3 ARG 33 HD1 ARG 33 88.744 4.010 -5.280 262 HH11 ARG 33 HH21 ARG 33 88.027 2.395 -6.103 263 HH12 ARG 33 HH22 ARG 33 88.525 0.879 -6.775 264 HH21 ARG 33 HH11 ARG 33 91.342 2.186 -8.318 265 HH22 ARG 33 HH12 ARG 33 90.402 0.760 -8.030 266 H GLN 34 HN GLN 34 84.895 6.725 -10.489 267 HA GLN 34 HA GLN 34 84.620 9.091 -9.026 268 HB2 GLN 34 HB2 GLN 34 82.155 8.986 -9.891 269 HB3 GLN 34 HB1 GLN 34 83.465 9.056 -11.070 270 HG2 GLN 34 HG2 GLN 34 83.370 6.670 -11.425 271 HG3 GLN 34 HG1 GLN 34 82.232 6.468 -10.093 272 HE21 GLN 34 HE21 GLN 34 79.996 7.063 -10.457 273 HE22 GLN 34 HE22 GLN 34 79.404 7.431 -12.005 274 H THR 35 HN THR 35 84.776 8.557 -6.772 275 HA THR 35 HA THR 35 82.214 8.141 -5.483 276 HB THR 35 HB THR 35 84.308 5.955 -5.249 277 HG1 THR 35 HG1 THR 35 82.190 4.828 -5.893 278 HG21 THR 35 HG21 THR 35 81.713 6.465 -3.778 279 HG22 THR 35 HG22 THR 35 83.327 6.301 -3.086 280 HG23 THR 35 HG23 THR 35 82.522 4.898 -3.789 281 H ARG 36 HN ARG 36 85.567 8.856 -5.488 282 HA ARG 36 HA ARG 36 86.002 9.064 -2.650 283 HE ARG 36 HE ARG 36 90.370 10.689 -3.952 284 HB2 ARG 36 HB2 ARG 36 87.327 10.482 -4.981 285 HB3 ARG 36 HB1 ARG 36 87.903 10.559 -3.316 286 HG2 ARG 36 HG2 ARG 36 88.206 8.128 -3.279 287 HG3 ARG 36 HG1 ARG 36 87.566 8.007 -4.919 288 HD2 ARG 36 HD2 ARG 36 90.019 7.966 -4.970 289 HD3 ARG 36 HD1 ARG 36 89.422 9.441 -5.731 290 HH11 ARG 36 HH21 ARG 36 90.245 7.307 -3.294 291 HH12 ARG 36 HH22 ARG 36 91.214 7.414 -1.862 292 HH21 ARG 36 HH11 ARG 36 91.635 10.849 -2.086 293 HH22 ARG 36 HH12 ARG 36 92.001 9.420 -1.178 294 H GLN 37 HN GLN 37 83.685 10.078 -2.454 295 HA GLN 37 HA GLN 37 83.999 12.829 -1.693 296 HB2 GLN 37 HB2 GLN 37 83.905 13.319 -4.057 297 HB3 GLN 37 HB1 GLN 37 82.513 12.258 -4.273 298 HG2 GLN 37 HG2 GLN 37 81.079 13.720 -3.059 299 HG3 GLN 37 HG1 GLN 37 82.438 14.640 -2.413 300 HE21 GLN 37 HE21 GLN 37 81.339 16.587 -3.399 301 HE22 GLN 37 HE22 GLN 37 81.546 16.895 -5.056 302 H1U RCY 38 H1U RCY 38 78.847 5.951 -3.433 303 H1S RCY 38 H1S RCY 38 79.141 7.419 1.175 304 HB1 RCY 38 HB1 RCY 38 81.509 9.532 0.858 305 HB2 RCY 38 HB2 RCY 38 80.487 9.804 -0.553 306 HA RCY 38 HA RCY 38 80.076 12.121 0.188 307 HN1 RCY 38 HN1 RCY 38 82.966 12.174 0.223 308 H LYS 39 HN LYS 39 79.217 11.861 2.450 309 HA LYS 39 HA LYS 39 81.307 12.460 4.511 310 HB2 LYS 39 HB2 LYS 39 78.748 13.894 3.857 311 HB3 LYS 39 HB1 LYS 39 79.310 13.869 5.527 312 HG2 LYS 39 HG2 LYS 39 81.538 14.714 4.721 313 HG3 LYS 39 HG1 LYS 39 80.831 14.895 3.115 314 HD2 LYS 39 HD2 LYS 39 80.494 17.027 3.982 315 HD3 LYS 39 HD1 LYS 39 78.975 16.246 4.420 316 HE2 LYS 39 HE2 LYS 39 79.808 17.397 6.379 317 HE3 LYS 39 HE1 LYS 39 80.001 15.664 6.645 318 HZ1 LYS 39 HZ1 LYS 39 82.095 16.245 7.138 319 HZ2 LYS 39 HZ2 LYS 39 82.011 17.718 6.296 320 HZ3 LYS 39 HZ3 LYS 39 82.312 16.272 5.456 321 H SER 40 HN SER 40 78.015 12.564 5.464 322 HA SER 40 HA SER 40 76.856 11.204 6.992 323 HG SER 40 HG SER 40 77.353 10.274 3.859 324 HB2 SER 40 HB2 SER 40 77.976 8.882 5.423 325 HB3 SER 40 HB1 SER 40 76.404 9.016 6.205 326 H LYS 41 HN LYS 41 78.946 11.992 8.314 327 HA LYS 41 HA LYS 41 81.117 10.522 9.045 328 HB2 LYS 41 HB2 LYS 41 79.332 11.452 11.275 329 HB3 LYS 41 HB1 LYS 41 81.083 11.588 11.118 330 HG2 LYS 41 HG2 LYS 41 80.514 13.762 10.606 331 HG3 LYS 41 HG1 LYS 41 80.391 13.062 8.991 332 HD2 LYS 41 HD2 LYS 41 77.920 12.537 9.707 333 HD3 LYS 41 HD1 LYS 41 78.194 13.806 10.901 334 HE2 LYS 41 HE2 LYS 41 78.418 14.042 7.890 335 HE3 LYS 41 HE1 LYS 41 77.268 14.864 8.945 336 HZ1 LYS 41 HZ1 LYS 41 79.298 15.840 10.066 337 HZ2 LYS 41 HZ2 LYS 41 78.933 16.424 8.513 338 HZ3 LYS 41 HZ3 LYS 41 80.186 15.296 8.727 339 HA PRO 42 HA PRO 42 78.914 6.706 10.219 340 HB2 PRO 42 HB2 PRO 42 80.781 4.955 9.347 341 HB3 PRO 42 HB1 PRO 42 79.695 5.795 8.223 342 HG2 PRO 42 HG2 PRO 42 82.549 6.315 8.830 343 HG3 PRO 42 HG1 PRO 42 81.667 6.482 7.305 344 HD2 PRO 42 HD2 PRO 42 82.313 8.581 9.066 345 HD3 PRO 42 HD1 PRO 42 81.131 8.660 7.743 346 HA PRO 43 HA PRO 43 80.558 5.643 14.182 347 HB2 PRO 43 HB2 PRO 43 81.152 2.872 13.616 348 HB3 PRO 43 HB1 PRO 43 79.776 3.535 14.511 349 HG2 PRO 43 HG2 PRO 43 79.928 2.616 11.742 350 HG3 PRO 43 HG1 PRO 43 78.517 2.830 12.788 351 HD2 PRO 43 HD2 PRO 43 79.047 4.476 10.673 352 HD3 PRO 43 HD1 PRO 43 78.198 5.034 12.134 353 H LYS 44 HN LYS 44 82.600 4.813 15.248 354 HA LYS 44 HA LYS 44 84.942 5.883 14.588 355 HB2 LYS 44 HB2 LYS 44 84.702 4.285 16.458 356 HB3 LYS 44 HB1 LYS 44 84.739 2.945 15.312 357 HG2 LYS 44 HG2 LYS 44 86.995 3.553 14.609 358 HG3 LYS 44 HG1 LYS 44 86.963 4.980 15.645 359 HD2 LYS 44 HD2 LYS 44 86.436 2.299 16.875 360 HD3 LYS 44 HD1 LYS 44 88.099 2.743 16.489 361 HE2 LYS 44 HE2 LYS 44 87.832 4.833 17.793 362 HE3 LYS 44 HE1 LYS 44 86.186 4.354 18.205 363 HZ1 LYS 44 HZ1 LYS 44 88.662 2.865 18.891 364 HZ2 LYS 44 HZ2 LYS 44 87.081 2.357 19.252 365 HZ3 LYS 44 HZ3 LYS 44 87.709 3.765 19.967 366 H LYS 45 HN LYS 45 86.646 5.660 13.152 367 HA LYS 45 HA LYS 45 87.909 4.617 11.391 368 HB2 LYS 45 HB2 LYS 45 86.454 2.507 11.725 369 HB3 LYS 45 HB1 LYS 45 85.399 3.199 10.489 370 HG2 LYS 45 HG2 LYS 45 87.435 3.409 9.004 371 HG3 LYS 45 HG1 LYS 45 88.323 2.470 10.205 372 HD2 LYS 45 HD2 LYS 45 87.040 0.539 9.832 373 HD3 LYS 45 HD1 LYS 45 85.718 1.446 9.097 374 HE2 LYS 45 HE2 LYS 45 88.462 1.327 7.838 375 HE3 LYS 45 HE1 LYS 45 87.226 0.116 7.497 376 HZ1 LYS 45 HZ1 LYS 45 86.955 3.046 7.096 377 HZ2 LYS 45 HZ2 LYS 45 85.737 1.898 6.805 378 HZ3 LYS 45 HZ3 LYS 45 87.157 1.887 5.873 379 H GLY 46 HN GLY 46 88.080 5.338 9.202 380 HA2 GLY 46 HA2 GLY 46 86.081 6.346 7.543 381 HA3 GLY 46 HA1 GLY 46 86.494 7.688 8.611 382 H VAL 47 HN VAL 47 89.317 6.876 8.855 383 HA VAL 47 HA VAL 47 90.480 8.408 6.817 384 HB VAL 47 HB VAL 47 92.610 7.237 7.369 385 HG11 VAL 47 HG11 VAL 47 92.517 7.719 9.852 386 HG12 VAL 47 HG12 VAL 47 90.785 7.996 9.665 387 HG13 VAL 47 HG13 VAL 47 91.940 9.035 8.829 388 HG21 VAL 47 HG21 VAL 47 92.380 5.507 9.264 389 HG22 VAL 47 HG22 VAL 47 91.937 4.971 7.643 390 HG23 VAL 47 HG23 VAL 47 90.681 5.403 8.803 391 H GLN 48 HN GLN 48 90.703 8.064 4.663 392 HA GLN 48 HA GLN 48 91.389 5.499 3.537 393 HB2 GLN 48 HB2 GLN 48 88.873 5.317 4.162 394 HB3 GLN 48 HB1 GLN 48 88.606 6.414 2.807 395 HG2 GLN 48 HG2 GLN 48 88.411 4.264 1.841 396 HG3 GLN 48 HG1 GLN 48 90.055 4.762 1.439 397 HE21 GLN 48 HE21 GLN 48 88.562 3.334 4.409 398 HE22 GLN 48 HE22 GLN 48 89.696 2.078 4.547 399 H GLY 49 HN GLY 49 89.252 8.110 2.352 400 HA2 GLY 49 HA2 GLY 49 90.904 9.853 1.095 401 HA3 GLY 49 HA1 GLY 49 91.008 8.462 0.013 402 H1U RCY 50 H1U RCY 50 80.068 6.811 1.292 403 H1S RCY 50 H1S RCY 50 84.363 7.988 0.822 404 HB1 RCY 50 HB1 RCY 50 85.858 11.578 1.588 405 HB2 RCY 50 HB2 RCY 50 86.303 9.881 1.757 406 HA RCY 50 HA RCY 50 86.901 10.246 -0.859 407 HN1 RCY 50 HN1 RCY 50 88.795 10.855 1.380 408 H GLY 51 HN GLY 51 85.253 12.537 -0.300 409 HA2 GLY 51 HA2 GLY 51 87.147 14.770 -0.924 410 HA3 GLY 51 HA1 GLY 51 85.638 14.554 -1.813 411 H ASP 52 HN ASP 52 84.145 13.740 0.590 412 HA ASP 52 HA ASP 52 83.032 14.685 2.432 413 HB2 ASP 52 HB2 ASP 52 85.508 15.574 2.864 414 HB3 ASP 52 HB1 ASP 52 84.782 17.118 2.415 415 H ASP 53 HN ASP 53 81.112 15.195 1.407 416 HA ASP 53 HA ASP 53 80.595 18.000 0.855 417 HB2 ASP 53 HB2 ASP 53 80.057 17.824 -1.491 418 HB3 ASP 53 HB1 ASP 53 81.691 17.195 -1.279 419 H ILE 54 HN ILE 54 78.446 16.716 -1.117 420 HA ILE 54 HA ILE 54 76.757 15.333 0.877 421 HB ILE 54 HB ILE 54 74.851 16.951 0.330 422 HG12 ILE 54 HG12 ILE 54 76.952 18.992 -0.252 423 HG13 ILE 54 HG11 ILE 54 76.473 17.923 -1.570 424 HG21 ILE 54 HG21 ILE 54 77.220 18.133 1.806 425 HG22 ILE 54 HG22 ILE 54 76.150 16.907 2.485 426 HG23 ILE 54 HG23 ILE 54 75.516 18.500 2.072 427 HD11 ILE 54 HD11 ILE 54 75.098 19.985 -1.524 428 HD12 ILE 54 HD12 ILE 54 74.567 19.580 0.108 429 HD13 ILE 54 HD13 ILE 54 74.120 18.544 -1.247 430 HA PRO 55 HA PRO 55 76.338 13.809 -3.498 431 HB2 PRO 55 HB2 PRO 55 76.294 11.171 -2.185 432 HB3 PRO 55 HB1 PRO 55 77.363 11.765 -3.467 433 HG2 PRO 55 HG2 PRO 55 78.199 11.317 -0.945 434 HG3 PRO 55 HG1 PRO 55 78.908 12.556 -1.993 435 HD2 PRO 55 HD2 PRO 55 76.978 12.888 0.279 436 HD3 PRO 55 HD1 PRO 55 78.319 13.943 -0.227 437 H GLY 56 HN GLY 56 74.829 12.154 -0.703 438 HA2 GLY 56 HA2 GLY 56 72.157 12.718 -1.875 439 HA3 GLY 56 HA1 GLY 56 72.570 11.042 -1.505 440 H MET 57 HN MET 57 73.969 13.397 0.547 441 HA MET 57 HA MET 57 73.607 13.964 2.782 442 HB2 MET 57 HB2 MET 57 70.724 13.287 2.118 443 HB3 MET 57 HB1 MET 57 71.269 14.117 3.572 444 HG2 MET 57 HG2 MET 57 72.297 15.877 2.102 445 HG3 MET 57 HG1 MET 57 71.544 15.087 0.716 446 HE1 MET 57 HE1 MET 57 71.369 18.042 2.256 447 HE2 MET 57 HE2 MET 57 69.711 18.521 1.902 448 HE3 MET 57 HE3 MET 57 70.714 17.835 0.627 449 H GLU 58 HN GLU 58 71.674 11.062 1.927 450 HA GLU 58 HA GLU 58 73.121 9.601 4.071 451 HB2 GLU 58 HB2 GLU 58 70.110 9.858 3.850 452 HB3 GLU 58 HB1 GLU 58 70.900 8.590 4.784 453 HG2 GLU 58 HG2 GLU 58 70.527 10.272 6.388 454 HG3 GLU 58 HG1 GLU 58 72.203 10.542 5.910 455 H GLY 59 HN GLY 59 71.265 9.620 1.107 456 HA2 GLY 59 HA2 GLY 59 72.550 7.449 -0.079 457 HA3 GLY 59 HA1 GLY 59 71.181 6.743 0.779 458 H1U RCY 60 H1U RCY 60 75.341 5.369 -5.891 459 H1S RCY 60 H1S RCY 60 72.393 7.279 -3.744 460 HB1 RCY 60 HB1 RCY 60 69.591 9.846 -4.248 461 HB2 RCY 60 HB2 RCY 60 69.776 8.231 -3.567 462 HA RCY 60 HA RCY 60 69.476 10.859 -2.114 463 HN1 RCY 60 HN1 RCY 60 70.824 9.974 -0.410 464 H GLY 61 HN GLY 61 68.565 8.560 -0.066 465 HA2 GLY 61 HA2 GLY 61 65.981 8.741 0.242 466 HA3 GLY 61 HA1 GLY 61 65.934 8.020 -1.368 467 H THR 62 HN THR 62 68.060 7.283 1.408 468 HA THR 62 HA THR 62 68.137 4.529 1.031 469 HB THR 62 HB THR 62 69.451 4.720 2.860 470 HG1 THR 62 HG1 THR 62 67.726 3.876 4.015 471 HG21 THR 62 HG21 THR 62 68.049 7.374 3.283 472 HG22 THR 62 HG22 THR 62 69.557 7.113 2.406 473 HG23 THR 62 HG23 THR 62 69.495 6.855 4.149 474 H ASP 63 HN ASP 63 66.733 2.891 1.367 475 HA ASP 63 HA ASP 63 63.973 3.244 1.491 476 HB2 ASP 63 HB2 ASP 63 65.493 0.891 2.651 477 HB3 ASP 63 HB1 ASP 63 63.805 0.890 2.142 478 H ILE 64 HN ILE 64 66.093 2.443 4.295 479 HA ILE 64 HA ILE 64 63.884 2.936 6.128 480 HB ILE 64 HB ILE 64 66.684 2.021 6.376 481 HG12 ILE 64 HG12 ILE 64 64.147 1.451 7.944 482 HG13 ILE 64 HG11 ILE 64 64.694 0.539 6.537 483 HG21 ILE 64 HG21 ILE 64 66.752 2.598 8.805 484 HG22 ILE 64 HG22 ILE 64 65.311 3.590 8.580 485 HG23 ILE 64 HG23 ILE 64 66.816 4.023 7.768 486 HD11 ILE 64 HD11 ILE 64 66.487 0.909 8.931 487 HD12 ILE 64 HD12 ILE 64 66.571 -0.324 7.673 488 HD13 ILE 64 HD13 ILE 64 65.292 -0.387 8.885 489 H THR 65 HN THR 65 66.066 4.855 4.450 490 HA THR 65 HA THR 65 65.999 7.237 4.403 491 HB THR 65 HB THR 65 65.233 7.307 7.314 492 HG1 THR 65 HG1 THR 65 63.236 7.525 5.423 493 HG21 THR 65 HG21 THR 65 64.564 9.152 5.008 494 HG22 THR 65 HG22 THR 65 65.968 9.365 6.053 495 HG23 THR 65 HG23 THR 65 64.342 9.471 6.728 496 H VAL 66 HN VAL 66 67.470 5.161 6.700 497 HA VAL 66 HA VAL 66 69.882 6.866 6.639 498 HB VAL 66 HB VAL 66 70.125 6.452 9.181 499 HG11 VAL 66 HG11 VAL 66 67.951 8.321 8.187 500 HG12 VAL 66 HG12 VAL 66 69.681 8.663 8.141 501 HG13 VAL 66 HG13 VAL 66 68.858 8.491 9.691 502 HG21 VAL 66 HG21 VAL 66 67.955 6.257 10.372 503 HG22 VAL 66 HG22 VAL 66 68.280 4.834 9.381 504 HG23 VAL 66 HG23 VAL 66 67.136 6.054 8.823 505 H ILE 67 HN ILE 67 68.498 3.834 7.991 506 HA ILE 67 HA ILE 67 70.949 2.449 6.991 507 HB ILE 67 HB ILE 67 69.679 2.181 9.729 508 HG12 ILE 67 HG12 ILE 67 71.508 3.962 9.051 509 HG13 ILE 67 HG11 ILE 67 71.673 3.064 10.560 510 HG21 ILE 67 HG21 ILE 67 71.648 0.468 9.950 511 HG22 ILE 67 HG22 ILE 67 71.533 0.377 8.193 512 HG23 ILE 67 HG23 ILE 67 70.143 -0.052 9.190 513 HD11 ILE 67 HD11 ILE 67 73.736 3.189 8.987 514 HD12 ILE 67 HD12 ILE 67 72.869 2.010 8.002 515 HD13 ILE 67 HD13 ILE 67 73.305 1.619 9.666 516 H1U RCY 68 H1U RCY 68 71.893 1.806 -1.773 517 H1S RCY 68 H1S RCY 68 70.767 2.264 2.101 518 HB1 RCY 68 HB1 RCY 68 67.408 -0.178 3.279 519 HB2 RCY 68 HB2 RCY 68 69.103 -0.646 3.403 520 HA RCY 68 HA RCY 68 67.218 0.223 5.536 521 HN1 RCY 68 HN1 RCY 68 69.704 1.618 5.245 522 HA PRO 69 HA PRO 69 68.079 -3.723 7.288 523 HB2 PRO 69 HB2 PRO 69 67.342 -4.930 4.643 524 HB3 PRO 69 HB1 PRO 69 66.780 -5.358 6.271 525 HG2 PRO 69 HG2 PRO 69 65.268 -3.929 4.603 526 HG3 PRO 69 HG1 PRO 69 65.270 -3.624 6.348 527 HD2 PRO 69 HD2 PRO 69 66.442 -1.987 4.159 528 HD3 PRO 69 HD1 PRO 69 65.883 -1.485 5.769 529 H TRP 70 HN TRP 70 69.296 -3.312 3.961 530 HA TRP 70 HA TRP 70 71.336 -5.344 4.215 531 HD1 TRP 70 HD1 TRP 70 72.327 -6.234 1.009 532 HE1 TRP 70 HE1 TRP 70 70.512 -7.774 0.021 533 HE3 TRP 70 HE3 TRP 70 68.138 -3.861 2.709 534 HZ2 TRP 70 HZ2 TRP 70 67.655 -7.973 -0.040 535 HZ3 TRP 70 HZ3 TRP 70 65.888 -4.744 2.174 536 HH2 TRP 70 HH2 TRP 70 65.639 -6.793 0.804 537 HB2 TRP 70 HB2 TRP 70 70.805 -3.098 2.281 538 HB3 TRP 70 HB1 TRP 70 72.332 -3.978 2.210 539 H GLU 71 HN GLU 71 71.063 -2.832 6.113 540 HA GLU 71 HA GLU 71 74.007 -2.460 6.345 541 HB2 GLU 71 HB2 GLU 71 71.943 -0.294 5.981 542 HB3 GLU 71 HB1 GLU 71 73.410 0.028 6.905 543 HG2 GLU 71 HG2 GLU 71 74.810 -0.338 5.051 544 HG3 GLU 71 HG1 GLU 71 73.570 -1.237 4.176 545 H ALA 72 HN ALA 72 70.989 -3.039 7.737 546 HA ALA 72 HA ALA 72 71.382 -1.888 10.345 547 HB1 ALA 72 HB1 ALA 72 69.170 -2.641 9.545 548 HB2 ALA 72 HB2 ALA 72 69.600 -3.439 11.057 549 HB3 ALA 72 HB3 ALA 72 69.744 -4.309 9.529 550 H1U RCY 73 H1U RCY 73 77.133 -1.836 5.865 551 H1S RCY 73 H1S RCY 73 75.547 -5.207 7.766 552 HB1 RCY 73 HB1 RCY 73 73.874 -7.613 9.600 553 HB2 RCY 73 HB2 RCY 73 75.333 -6.723 9.172 554 HA RCY 73 HA RCY 73 73.454 -6.056 11.179 555 HN1 RCY 73 HN1 RCY 73 72.891 -4.506 8.762 556 H ASN 74 HN ASN 74 74.913 -3.411 9.443 557 HA ASN 74 HA ASN 74 76.995 -2.329 9.717 558 HB2 ASN 74 HB2 ASN 74 77.427 -1.845 12.199 559 HB3 ASN 74 HB1 ASN 74 75.871 -1.322 11.556 560 HD21 ASN 74 HD21 ASN 74 77.440 -3.719 13.646 561 HD22 ASN 74 HD22 ASN 74 76.008 -4.307 14.343 562 H HIS 75 HN HIS 75 77.008 -5.382 9.668 563 HA HIS 75 HA HIS 75 79.539 -5.850 11.189 564 HD1 HIS 75 HD1 HIS 75 77.948 -5.442 12.604 565 HD2 HIS 75 HD2 HIS 75 77.387 -9.572 12.765 566 HE1 HIS 75 HE1 HIS 75 77.161 -5.966 14.954 567 HE2 HIS 75 HE2 HIS 75 76.816 -8.477 15.065 568 HB2 HIS 75 HB2 HIS 75 77.410 -7.702 10.104 569 HB3 HIS 75 HB1 HIS 75 78.996 -8.299 10.594 570 H1U RCY 76 H1U RCY 76 76.423 -2.395 8.555 571 H1S RCY 76 H1S RCY 76 80.445 -3.557 9.985 572 HB1 RCY 76 HB1 RCY 76 81.412 -3.713 6.836 573 HB2 RCY 76 HB2 RCY 76 83.059 -4.340 6.867 574 HA RCY 76 HA RCY 76 80.991 -5.996 6.931 575 HN1 RCY 76 HN1 RCY 76 81.050 -5.001 9.732 576 H GLU 77 HN GLU 77 81.878 -8.026 6.904 577 HA GLU 77 HA GLU 77 83.949 -8.942 8.653 578 HB2 GLU 77 HB2 GLU 77 82.628 -9.912 6.175 579 HB3 GLU 77 HB1 GLU 77 84.241 -10.557 6.474 580 HG2 GLU 77 HG2 GLU 77 82.170 -10.500 8.664 581 HG3 GLU 77 HG1 GLU 77 82.219 -11.823 7.498 582 H LEU 78 HN LEU 78 86.209 -9.166 8.264 583 HA LEU 78 HA LEU 78 87.543 -7.019 7.060 584 HG LEU 78 HG LEU 78 89.736 -8.651 9.389 585 HB2 LEU 78 HB2 LEU 78 88.338 -9.792 7.853 586 HB3 LEU 78 HB1 LEU 78 89.453 -8.896 6.826 587 HD11 LEU 78 HD11 LEU 78 89.589 -6.453 7.352 588 HD12 LEU 78 HD12 LEU 78 91.002 -7.140 8.152 589 HD13 LEU 78 HD13 LEU 78 89.940 -6.040 9.030 590 HD21 LEU 78 HD21 LEU 78 87.129 -8.223 9.491 591 HD22 LEU 78 HD22 LEU 78 87.595 -6.562 9.125 592 HD23 LEU 78 HD23 LEU 78 88.209 -7.350 10.578 593 H HIS 79 HN HIS 79 86.674 -10.157 5.636 594 HA HIS 79 HA HIS 79 86.123 -9.333 3.059 595 HD1 HIS 79 HD1 HIS 79 89.606 -8.275 0.648 596 HD2 HIS 79 HD2 HIS 79 86.325 -7.108 2.945 597 HE1 HIS 79 HE1 HIS 79 88.812 -6.068 -0.308 598 HE2 HIS 79 HE2 HIS 79 86.815 -5.347 1.081 599 HB2 HIS 79 HB2 HIS 79 89.026 -9.240 3.598 600 HB3 HIS 79 HB1 HIS 79 88.607 -10.183 2.173 601 H GLU 80 HN GLU 80 85.955 -11.528 5.161 602 HA GLU 80 HA GLU 80 86.869 -13.929 3.752 603 HB2 GLU 80 HB2 GLU 80 86.767 -13.813 6.240 604 HB3 GLU 80 HB1 GLU 80 85.011 -13.676 6.137 605 HG2 GLU 80 HG2 GLU 80 84.824 -15.857 5.129 606 HG3 GLU 80 HG1 GLU 80 86.574 -15.979 4.943 607 H LEU 81 HN LEU 81 83.812 -12.207 4.242 608 HA LEU 81 HA LEU 81 82.138 -14.214 3.046 609 HG LEU 81 HG LEU 81 82.880 -10.844 4.048 610 HB2 LEU 81 HB2 LEU 81 80.553 -12.238 2.692 611 HB3 LEU 81 HB1 LEU 81 81.042 -12.551 4.354 612 HD11 LEU 81 HD11 LEU 81 82.159 -9.205 2.078 613 HD12 LEU 81 HD12 LEU 81 81.532 -10.699 1.381 614 HD13 LEU 81 HD13 LEU 81 83.245 -10.563 1.779 615 HD21 LEU 81 HD21 LEU 81 80.103 -9.743 3.531 616 HD22 LEU 81 HD22 LEU 81 81.419 -8.957 4.403 617 HD23 LEU 81 HD23 LEU 81 80.621 -10.369 5.097 618 H ALA 82 HN ALA 82 84.665 -12.918 1.613 619 HA ALA 82 HA ALA 82 83.633 -11.802 -0.832 620 HB1 ALA 82 HB1 ALA 82 85.927 -12.266 -1.714 621 HB2 ALA 82 HB2 ALA 82 86.286 -13.139 -0.224 622 HB3 ALA 82 HB3 ALA 82 85.945 -11.409 -0.172 623 H GLN 83 HN GLN 83 82.268 -14.269 -0.131 624 HA GLN 83 HA GLN 83 83.201 -16.502 -1.630 625 HB2 GLN 83 HB2 GLN 83 80.771 -17.201 -1.638 626 HB3 GLN 83 HB1 GLN 83 81.419 -16.826 -0.044 627 HG2 GLN 83 HG2 GLN 83 79.482 -15.574 0.062 628 HG3 GLN 83 HG1 GLN 83 80.539 -14.377 -0.688 629 HE21 GLN 83 HE21 GLN 83 79.092 -17.283 -2.225 630 HE22 GLN 83 HE22 GLN 83 78.208 -16.417 -3.387 631 H TYR 84 HN TYR 84 81.330 -13.653 -2.583 632 HA TYR 84 HA TYR 84 82.118 -13.925 -5.336 633 HD1 TYR 84 HD1 TYR 84 81.591 -15.163 -7.548 634 HD2 TYR 84 HD2 TYR 84 77.976 -13.278 -6.193 635 HE1 TYR 84 HE1 TYR 84 81.094 -14.447 -9.869 636 HE2 TYR 84 HE2 TYR 84 77.480 -12.562 -8.515 637 HH TYR 84 HH TYR 84 79.371 -13.700 -11.232 638 HB2 TYR 84 HB2 TYR 84 80.437 -15.735 -5.309 639 HB3 TYR 84 HB1 TYR 84 79.229 -14.602 -4.703 640 H GLY 85 HN GLY 85 80.832 -12.252 -2.749 641 HA2 GLY 85 HA2 GLY 85 79.341 -10.196 -4.133 642 HA3 GLY 85 HA1 GLY 85 79.996 -10.064 -2.499 643 H ILE 86 HN ILE 86 82.691 -10.873 -3.689 644 HA ILE 86 HA ILE 86 84.633 -9.685 -4.254 645 HB ILE 86 HB ILE 86 82.744 -8.513 -6.315 646 HG12 ILE 86 HG12 ILE 86 84.577 -10.898 -6.625 647 HG13 ILE 86 HG11 ILE 86 82.899 -11.072 -6.111 648 HG21 ILE 86 HG21 ILE 86 84.865 -8.324 -7.646 649 HG22 ILE 86 HG22 ILE 86 85.761 -8.790 -6.200 650 HG23 ILE 86 HG23 ILE 86 84.839 -7.287 -6.220 651 HD11 ILE 86 HD11 ILE 86 83.760 -9.654 -8.648 652 HD12 ILE 86 HD12 ILE 86 82.108 -10.018 -8.151 653 HD13 ILE 86 HD13 ILE 86 83.206 -11.327 -8.587 654 H1U RCY 87 H1U RCY 87 77.812 -3.570 0.404 655 H1S RCY 87 H1S RCY 87 79.665 -5.775 -2.407 656 HB1 RCY 87 HB1 RCY 87 82.298 -4.719 -5.822 657 HB2 RCY 87 HB2 RCY 87 82.226 -3.554 -4.501 658 HA RCY 87 HA RCY 87 84.028 -5.041 -3.977 659 HN1 RCY 87 HN1 RCY 87 82.588 -7.035 -5.346 Start of MODEL 68 1 HA MET 1 HA MET 1 62.358 4.532 -14.219 2 HB2 MET 1 HB2 MET 1 61.473 5.849 -16.792 3 HB3 MET 1 HB1 MET 1 60.313 5.169 -15.650 4 HG2 MET 1 HG2 MET 1 61.257 6.597 -13.858 5 HG3 MET 1 HG1 MET 1 62.379 7.300 -15.023 6 HE1 MET 1 HE1 MET 1 59.652 8.114 -13.061 7 HE2 MET 1 HE2 MET 1 59.137 9.591 -13.873 8 HE3 MET 1 HE3 MET 1 60.845 9.335 -13.522 9 H ASN 2 HN ASN 2 60.362 3.070 -14.755 10 HA ASN 2 HA ASN 2 61.284 0.554 -15.660 11 HB2 ASN 2 HB2 ASN 2 58.919 -0.118 -15.676 12 HB3 ASN 2 HB1 ASN 2 59.264 0.864 -14.252 13 HD21 ASN 2 HD21 ASN 2 57.214 0.596 -16.987 14 HD22 ASN 2 HD22 ASN 2 56.507 2.137 -16.896 15 H LEU 3 HN LEU 3 61.827 -0.038 -17.699 16 HA LEU 3 HA LEU 3 60.078 0.585 -19.949 17 HG LEU 3 HG LEU 3 61.182 1.114 -22.114 18 HB2 LEU 3 HB2 LEU 3 61.607 2.646 -19.572 19 HB3 LEU 3 HB1 LEU 3 62.909 1.614 -20.162 20 HD11 LEU 3 HD11 LEU 3 59.684 2.893 -22.600 21 HD12 LEU 3 HD12 LEU 3 60.428 3.952 -21.402 22 HD13 LEU 3 HD13 LEU 3 59.459 2.573 -20.880 23 HD21 LEU 3 HD21 LEU 3 62.151 3.139 -23.322 24 HD22 LEU 3 HD22 LEU 3 63.336 2.076 -22.563 25 HD23 LEU 3 HD23 LEU 3 62.888 3.595 -21.786 26 H GLU 4 HN GLU 4 63.102 -0.755 -18.720 27 HA GLU 4 HA GLU 4 63.543 -2.391 -21.098 28 HB2 GLU 4 HB2 GLU 4 64.823 -2.261 -18.367 29 HB3 GLU 4 HB1 GLU 4 65.258 -3.511 -19.533 30 HG2 GLU 4 HG2 GLU 4 66.758 -1.513 -19.647 31 HG3 GLU 4 HG1 GLU 4 65.914 -1.826 -21.164 32 HA PRO 5 HA PRO 5 60.683 -5.713 -20.346 33 HB2 PRO 5 HB2 PRO 5 63.132 -7.385 -20.809 34 HB3 PRO 5 HB1 PRO 5 61.502 -7.567 -21.487 35 HG2 PRO 5 HG2 PRO 5 63.512 -6.472 -22.881 36 HG3 PRO 5 HG1 PRO 5 61.833 -5.945 -23.068 37 HD2 PRO 5 HD2 PRO 5 64.103 -4.509 -21.843 38 HD3 PRO 5 HD1 PRO 5 62.556 -3.868 -22.438 39 HA PRO 6 HA PRO 6 62.212 -6.481 -16.091 40 HB2 PRO 6 HB2 PRO 6 59.863 -6.114 -14.807 41 HB3 PRO 6 HB1 PRO 6 60.833 -4.748 -15.392 42 HG2 PRO 6 HG2 PRO 6 58.367 -5.934 -16.534 43 HG3 PRO 6 HG1 PRO 6 58.904 -4.248 -16.506 44 HD2 PRO 6 HD2 PRO 6 59.138 -6.003 -18.691 45 HD3 PRO 6 HD1 PRO 6 59.999 -4.460 -18.502 46 H LYS 7 HN LYS 7 62.159 -8.419 -14.911 47 HA LYS 7 HA LYS 7 59.912 -10.253 -15.041 48 HB2 LYS 7 HB2 LYS 7 61.464 -12.088 -16.093 49 HB3 LYS 7 HB1 LYS 7 60.638 -10.949 -17.157 50 HG2 LYS 7 HG2 LYS 7 62.610 -9.599 -17.384 51 HG3 LYS 7 HG1 LYS 7 63.436 -10.483 -16.101 52 HD2 LYS 7 HD2 LYS 7 63.617 -12.451 -17.437 53 HD3 LYS 7 HD1 LYS 7 62.476 -11.832 -18.632 54 HE2 LYS 7 HE2 LYS 7 64.090 -10.006 -19.171 55 HE3 LYS 7 HE1 LYS 7 65.243 -10.733 -18.051 56 HZ1 LYS 7 HZ1 LYS 7 65.830 -12.207 -19.578 57 HZ2 LYS 7 HZ2 LYS 7 64.876 -11.370 -20.708 58 HZ3 LYS 7 HZ3 LYS 7 64.221 -12.677 -19.843 59 H ALA 8 HN ALA 8 62.954 -11.816 -14.986 60 HA ALA 8 HA ALA 8 64.305 -12.598 -13.225 61 HB1 ALA 8 HB1 ALA 8 63.814 -10.084 -12.434 62 HB2 ALA 8 HB2 ALA 8 64.614 -11.247 -11.377 63 HB3 ALA 8 HB3 ALA 8 62.889 -10.927 -11.191 64 H GLU 9 HN GLU 9 63.334 -12.888 -10.454 65 HA GLU 9 HA GLU 9 60.903 -14.562 -10.780 66 HB2 GLU 9 HB2 GLU 9 63.061 -15.937 -11.138 67 HB3 GLU 9 HB1 GLU 9 63.352 -15.692 -9.416 68 HG2 GLU 9 HG2 GLU 9 61.224 -16.738 -8.859 69 HG3 GLU 9 HG1 GLU 9 60.810 -16.879 -10.568 70 H1U RCY 10 H1U RCY 10 61.887 -15.212 -11.821 71 H1S RCY 10 H1S RCY 10 62.692 -15.962 -7.184 72 HB1 RCY 10 HB1 RCY 10 62.895 -11.907 -5.292 73 HB2 RCY 10 HB2 RCY 10 63.875 -12.081 -6.748 74 HA RCY 10 HA RCY 10 60.934 -12.799 -6.641 75 HN1 RCY 10 HN1 RCY 10 62.569 -12.266 -9.080 76 H ARG 11 HN ARG 11 62.587 -10.505 -8.741 77 HA ARG 11 HA ARG 11 60.704 -8.411 -7.799 78 HE ARG 11 HE ARG 11 61.881 -4.487 -7.467 79 HB2 ARG 11 HB2 ARG 11 63.469 -8.456 -7.094 80 HB3 ARG 11 HB1 ARG 11 63.273 -7.183 -8.297 81 HG2 ARG 11 HG2 ARG 11 61.198 -6.486 -6.881 82 HG3 ARG 11 HG1 ARG 11 61.943 -7.453 -5.608 83 HD2 ARG 11 HD2 ARG 11 62.969 -5.446 -5.149 84 HD3 ARG 11 HD1 ARG 11 64.102 -6.047 -6.359 85 HH11 ARG 11 HH21 ARG 11 65.065 -4.538 -6.145 86 HH12 ARG 11 HH22 ARG 11 65.545 -3.055 -6.900 87 HH21 ARG 11 HH11 ARG 11 62.490 -2.550 -8.460 88 HH22 ARG 11 HH12 ARG 11 64.088 -1.929 -8.210 89 H SER 12 HN SER 12 59.653 -7.894 -9.649 90 HA SER 12 HA SER 12 61.143 -7.977 -12.228 91 HG SER 12 HG SER 12 59.923 -9.843 -11.888 92 HB2 SER 12 HB2 SER 12 58.168 -7.739 -11.696 93 HB3 SER 12 HB1 SER 12 58.920 -7.928 -13.277 94 H ALA 13 HN ALA 13 59.007 -5.829 -10.334 95 HA ALA 13 HA ALA 13 60.462 -3.471 -11.045 96 HB1 ALA 13 HB1 ALA 13 58.005 -4.108 -12.688 97 HB2 ALA 13 HB2 ALA 13 59.608 -3.648 -13.261 98 HB3 ALA 13 HB3 ALA 13 58.579 -2.455 -12.469 99 H THR 14 HN THR 14 59.178 -1.463 -10.366 100 HA THR 14 HA THR 14 57.909 -0.363 -8.740 101 HB THR 14 HB THR 14 56.204 -2.342 -9.901 102 HG1 THR 14 HG1 THR 14 54.673 -0.779 -9.431 103 HG21 THR 14 HG21 THR 14 54.690 -2.793 -7.999 104 HG22 THR 14 HG22 THR 14 55.836 -2.011 -6.910 105 HG23 THR 14 HG23 THR 14 56.282 -3.504 -7.735 106 H ARG 15 HN ARG 15 58.325 -0.167 -6.586 107 HA ARG 15 HA ARG 15 59.608 -2.409 -5.204 108 HE ARG 15 HE ARG 15 61.131 1.460 -4.392 109 HB2 ARG 15 HB2 ARG 15 59.799 -0.738 -3.327 110 HB3 ARG 15 HB1 ARG 15 60.512 -0.188 -4.844 111 HG2 ARG 15 HG2 ARG 15 58.575 1.165 -5.345 112 HG3 ARG 15 HG1 ARG 15 57.690 0.490 -3.976 113 HD2 ARG 15 HD2 ARG 15 58.736 2.793 -3.603 114 HD3 ARG 15 HD1 ARG 15 59.118 1.566 -2.395 115 HH11 ARG 15 HH21 ARG 15 59.845 3.562 -1.981 116 HH12 ARG 15 HH22 ARG 15 61.353 4.361 -1.684 117 HH21 ARG 15 HH11 ARG 15 63.108 2.491 -4.018 118 HH22 ARG 15 HH12 ARG 15 63.200 3.755 -2.837 119 H VAL 16 HN VAL 16 58.828 -2.602 -2.730 120 HA VAL 16 HA VAL 16 55.871 -2.516 -2.545 121 HB VAL 16 HB VAL 16 55.724 -4.885 -1.918 122 HG11 VAL 16 HG11 VAL 16 55.975 -5.815 -4.107 123 HG12 VAL 16 HG12 VAL 16 57.261 -4.679 -4.516 124 HG13 VAL 16 HG13 VAL 16 55.601 -4.108 -4.349 125 HG21 VAL 16 HG21 VAL 16 57.832 -6.283 -2.463 126 HG22 VAL 16 HG22 VAL 16 57.836 -5.366 -0.956 127 HG23 VAL 16 HG23 VAL 16 58.709 -4.756 -2.361 128 H MET 17 HN MET 17 58.909 -3.481 -0.922 129 HA MET 17 HA MET 17 59.489 -3.375 1.356 130 HB2 MET 17 HB2 MET 17 58.953 -0.865 0.439 131 HB3 MET 17 HB1 MET 17 57.797 -0.963 1.767 132 HG2 MET 17 HG2 MET 17 59.599 -1.591 3.315 133 HG3 MET 17 HG1 MET 17 60.766 -1.552 1.993 134 HE1 MET 17 HE1 MET 17 62.368 0.624 1.935 135 HE2 MET 17 HE2 MET 17 61.469 1.908 1.129 136 HE3 MET 17 HE3 MET 17 61.280 0.239 0.595 137 H GLY 18 HN GLY 18 58.083 -2.482 3.605 138 HA2 GLY 18 HA2 GLY 18 55.488 -2.915 4.126 139 HA3 GLY 18 HA1 GLY 18 55.988 -4.568 3.767 140 H GLY 19 HN GLY 19 55.298 -2.775 6.316 141 HA2 GLY 19 HA2 GLY 19 56.045 -2.656 8.551 142 HA3 GLY 19 HA1 GLY 19 56.416 -4.361 8.293 143 HA PRO 20 HA PRO 20 60.396 -1.707 6.934 144 HB2 PRO 20 HB2 PRO 20 59.778 0.541 8.815 145 HB3 PRO 20 HB1 PRO 20 60.590 0.581 7.238 146 HG2 PRO 20 HG2 PRO 20 58.062 1.375 7.534 147 HG3 PRO 20 HG1 PRO 20 58.619 0.548 6.070 148 HD2 PRO 20 HD2 PRO 20 56.894 -0.482 8.266 149 HD3 PRO 20 HD1 PRO 20 56.962 -0.971 6.559 150 H1U RCY 21 H1U RCY 21 61.578 -2.834 3.491 151 H1S RCY 21 H1S RCY 21 61.267 -3.977 7.468 152 HB1 RCY 21 HB1 RCY 21 61.345 -5.652 10.083 153 HB2 RCY 21 HB2 RCY 21 62.956 -5.353 10.737 154 HA RCY 21 HA RCY 21 61.227 -3.496 11.105 155 HN1 RCY 21 HN1 RCY 21 61.076 -3.593 8.230 156 H THR 22 HN THR 22 62.237 -1.554 11.753 157 HA THR 22 HA THR 22 65.170 -1.529 11.371 158 HB THR 22 HB THR 22 63.741 0.009 9.701 159 HG1 THR 22 HG1 THR 22 66.123 -0.194 10.186 160 HG21 THR 22 HG21 THR 22 63.537 2.282 10.581 161 HG22 THR 22 HG22 THR 22 64.161 1.754 12.144 162 HG23 THR 22 HG23 THR 22 62.596 1.172 11.576 163 HA PRO 23 HA PRO 23 65.121 -0.103 15.550 164 HB2 PRO 23 HB2 PRO 23 67.134 1.939 15.353 165 HB3 PRO 23 HB1 PRO 23 67.335 0.250 15.841 166 HG2 PRO 23 HG2 PRO 23 68.322 1.394 13.523 167 HG3 PRO 23 HG1 PRO 23 68.137 -0.339 13.825 168 HD2 PRO 23 HD2 PRO 23 66.410 1.485 12.204 169 HD3 PRO 23 HD1 PRO 23 66.752 -0.247 11.978 170 H ARG 24 HN ARG 24 64.960 2.727 13.330 171 HA ARG 24 HA ARG 24 63.090 3.964 15.280 172 HE ARG 24 HE ARG 24 62.643 7.904 17.620 173 HB2 ARG 24 HB2 ARG 24 65.253 4.824 15.962 174 HB3 ARG 24 HB1 ARG 24 65.638 5.278 14.305 175 HG2 ARG 24 HG2 ARG 24 64.857 7.218 15.682 176 HG3 ARG 24 HG1 ARG 24 63.826 6.913 14.283 177 HD2 ARG 24 HD2 ARG 24 62.139 5.899 15.610 178 HD3 ARG 24 HD1 ARG 24 63.223 5.715 16.990 179 HH11 ARG 24 HH21 ARG 24 62.110 7.363 14.258 180 HH12 ARG 24 HH22 ARG 24 61.409 8.923 13.982 181 HH21 ARG 24 HH11 ARG 24 61.732 9.945 17.279 182 HH22 ARG 24 HH12 ARG 24 61.196 10.384 15.692 183 H LYS 25 HN LYS 25 63.901 3.369 12.033 184 HA LYS 25 HA LYS 25 62.934 4.141 10.020 185 HB2 LYS 25 HB2 LYS 25 60.856 4.500 12.115 186 HB3 LYS 25 HB1 LYS 25 60.613 5.443 10.648 187 HG2 LYS 25 HG2 LYS 25 60.245 3.586 9.353 188 HG3 LYS 25 HG1 LYS 25 61.393 2.600 10.259 189 HD2 LYS 25 HD2 LYS 25 59.084 1.812 10.622 190 HD3 LYS 25 HD1 LYS 25 59.781 2.429 12.121 191 HE2 LYS 25 HE2 LYS 25 57.453 3.245 11.743 192 HE3 LYS 25 HE1 LYS 25 58.626 4.559 11.827 193 HZ1 LYS 25 HZ1 LYS 25 58.728 4.467 9.360 194 HZ2 LYS 25 HZ2 LYS 25 57.219 4.950 9.972 195 HZ3 LYS 25 HZ3 LYS 25 57.434 3.371 9.384 196 H GLY 26 HN GLY 26 62.243 6.199 8.884 197 HA2 GLY 26 HA2 GLY 26 62.574 8.767 10.092 198 HA3 GLY 26 HA1 GLY 26 64.100 8.283 9.348 199 HA PRO 27 HA PRO 27 60.428 9.682 6.306 200 HB2 PRO 27 HB2 PRO 27 61.851 12.304 6.483 201 HB3 PRO 27 HB1 PRO 27 60.119 11.971 6.290 202 HG2 PRO 27 HG2 PRO 27 61.150 12.760 8.623 203 HG3 PRO 27 HG1 PRO 27 59.796 11.623 8.532 204 HD2 PRO 27 HD2 PRO 27 62.640 11.103 9.247 205 HD3 PRO 27 HD1 PRO 27 61.173 10.231 9.742 206 HA PRO 28 HA PRO 28 63.738 8.506 3.417 207 HB2 PRO 28 HB2 PRO 28 61.599 9.306 1.476 208 HB3 PRO 28 HB1 PRO 28 62.600 7.840 1.509 209 HG2 PRO 28 HG2 PRO 28 60.053 7.809 2.296 210 HG3 PRO 28 HG1 PRO 28 61.285 6.819 3.096 211 HD2 PRO 28 HD2 PRO 28 59.928 9.286 4.077 212 HD3 PRO 28 HD1 PRO 28 60.611 7.930 5.001 213 H LYS 29 HN LYS 29 65.343 9.832 2.622 214 HA LYS 29 HA LYS 29 64.654 12.374 1.320 215 HB2 LYS 29 HB2 LYS 29 64.813 12.638 3.943 216 HB3 LYS 29 HB1 LYS 29 66.550 12.584 3.644 217 HG2 LYS 29 HG2 LYS 29 66.317 14.431 2.008 218 HG3 LYS 29 HG1 LYS 29 64.587 14.501 2.348 219 HD2 LYS 29 HD2 LYS 29 65.114 14.961 4.744 220 HD3 LYS 29 HD1 LYS 29 66.828 15.002 4.328 221 HE2 LYS 29 HE2 LYS 29 66.562 16.932 2.966 222 HE3 LYS 29 HE1 LYS 29 64.807 16.759 2.931 223 HZ1 LYS 29 HZ1 LYS 29 64.613 17.458 5.120 224 HZ2 LYS 29 HZ2 LYS 29 65.816 18.484 4.498 225 HZ3 LYS 29 HZ3 LYS 29 66.245 17.163 5.476 226 H1U RCY 30 H1U RCY 30 67.093 15.992 1.918 227 H1S RCY 30 H1S RCY 30 70.674 13.301 3.801 228 HB1 RCY 30 HB1 RCY 30 70.069 10.375 0.614 229 HB2 RCY 30 HB2 RCY 30 68.921 10.360 1.952 230 HA RCY 30 HA RCY 30 69.613 13.072 1.045 231 HN1 RCY 30 HN1 RCY 30 67.561 13.147 2.194 232 H LYS 31 HN LYS 31 70.641 11.534 -0.943 233 HA LYS 31 HA LYS 31 68.609 11.757 -3.135 234 HB2 LYS 31 HB2 LYS 31 71.427 12.663 -2.910 235 HB3 LYS 31 HB1 LYS 31 71.014 11.883 -4.435 236 HG2 LYS 31 HG2 LYS 31 70.562 14.230 -4.709 237 HG3 LYS 31 HG1 LYS 31 69.001 13.423 -4.558 238 HD2 LYS 31 HD2 LYS 31 68.813 14.068 -2.238 239 HD3 LYS 31 HD1 LYS 31 70.464 14.687 -2.225 240 HE2 LYS 31 HE2 LYS 31 69.113 16.619 -2.480 241 HE3 LYS 31 HE1 LYS 31 69.696 16.271 -4.108 242 HZ1 LYS 31 HZ1 LYS 31 67.046 16.383 -3.191 243 HZ2 LYS 31 HZ2 LYS 31 67.366 14.795 -3.702 244 HZ3 LYS 31 HZ3 LYS 31 67.606 16.098 -4.766 245 H GLN 32 HN GLN 32 68.162 9.868 -4.148 246 HA GLN 32 HA GLN 32 70.227 7.716 -4.159 247 HB2 GLN 32 HB2 GLN 32 67.311 7.334 -3.404 248 HB3 GLN 32 HB1 GLN 32 68.500 6.045 -3.590 249 HG2 GLN 32 HG2 GLN 32 68.674 6.371 -1.310 250 HG3 GLN 32 HG1 GLN 32 69.859 7.560 -1.854 251 HE21 GLN 32 HE21 GLN 32 68.008 7.579 0.579 252 HE22 GLN 32 HE22 GLN 32 67.171 9.051 0.464 253 H ARG 33 HN ARG 33 70.436 8.445 -6.416 254 HA ARG 33 HA ARG 33 68.135 8.179 -8.198 255 HE ARG 33 HE ARG 33 71.483 12.702 -7.706 256 HB2 ARG 33 HB2 ARG 33 71.099 8.505 -8.770 257 HB3 ARG 33 HB1 ARG 33 69.836 8.534 -9.998 258 HG2 ARG 33 HG2 ARG 33 70.020 10.805 -9.566 259 HG3 ARG 33 HG1 ARG 33 68.785 10.370 -8.384 260 HD2 ARG 33 HD2 ARG 33 70.395 10.263 -6.610 261 HD3 ARG 33 HD1 ARG 33 71.742 10.365 -7.743 262 HH11 ARG 33 HH21 ARG 33 68.594 11.081 -6.753 263 HH12 ARG 33 HH22 ARG 33 67.744 12.540 -6.368 264 HH21 ARG 33 HH11 ARG 33 70.389 14.617 -7.210 265 HH22 ARG 33 HH12 ARG 33 68.760 14.542 -6.627 266 H GLN 34 HN GLN 34 70.736 6.832 -9.775 267 HA GLN 34 HA GLN 34 69.732 4.054 -9.257 268 HB2 GLN 34 HB2 GLN 34 69.314 5.133 -11.562 269 HB3 GLN 34 HB1 GLN 34 71.054 4.986 -11.810 270 HG2 GLN 34 HG2 GLN 34 70.911 2.558 -11.382 271 HG3 GLN 34 HG1 GLN 34 69.169 2.703 -11.145 272 HE21 GLN 34 HE21 GLN 34 68.963 1.198 -13.054 273 HE22 GLN 34 HE22 GLN 34 69.099 1.833 -14.622 274 H THR 35 HN THR 35 71.696 4.942 -7.574 275 HA THR 35 HA THR 35 73.888 4.513 -6.850 276 HB THR 35 HB THR 35 74.612 2.318 -7.181 277 HG1 THR 35 HG1 THR 35 73.331 1.741 -9.518 278 HG21 THR 35 HG21 THR 35 72.143 2.501 -6.508 279 HG22 THR 35 HG22 THR 35 72.678 0.939 -7.128 280 HG23 THR 35 HG23 THR 35 71.772 2.038 -8.169 281 H ARG 36 HN ARG 36 73.218 5.692 -9.805 282 HA ARG 36 HA ARG 36 74.484 6.484 -11.614 283 HE ARG 36 HE ARG 36 74.232 8.596 -11.538 284 HB2 ARG 36 HB2 ARG 36 75.028 8.083 -9.822 285 HB3 ARG 36 HB1 ARG 36 76.336 7.042 -9.274 286 HG2 ARG 36 HG2 ARG 36 76.939 9.034 -10.838 287 HG3 ARG 36 HG1 ARG 36 77.641 7.456 -11.198 288 HD2 ARG 36 HD2 ARG 36 76.638 8.665 -13.195 289 HD3 ARG 36 HD1 ARG 36 76.023 7.034 -12.921 290 HH11 ARG 36 HH21 ARG 36 75.588 8.652 -14.707 291 HH12 ARG 36 HH22 ARG 36 74.188 9.364 -15.438 292 HH21 ARG 36 HH11 ARG 36 72.396 9.524 -12.473 293 HH22 ARG 36 HH12 ARG 36 72.380 9.858 -14.173 294 H GLN 37 HN GLN 37 74.734 3.739 -11.521 295 HA GLN 37 HA GLN 37 76.134 1.978 -12.192 296 HB2 GLN 37 HB2 GLN 37 76.465 3.839 -14.001 297 HB3 GLN 37 HB1 GLN 37 78.038 4.067 -13.242 298 HG2 GLN 37 HG2 GLN 37 77.852 1.307 -13.493 299 HG3 GLN 37 HG1 GLN 37 77.114 1.899 -14.982 300 HE21 GLN 37 HE21 GLN 37 79.950 2.869 -12.950 301 HE22 GLN 37 HE22 GLN 37 81.015 3.026 -14.263 302 H1U RCY 38 H1U RCY 38 79.725 3.730 -3.309 303 H1S RCY 38 H1S RCY 38 79.017 1.361 -6.487 304 HB1 RCY 38 HB1 RCY 38 78.398 0.294 -9.074 305 HB2 RCY 38 HB2 RCY 38 78.695 1.887 -8.379 306 HA RCY 38 HA RCY 38 80.239 2.463 -10.095 307 HN1 RCY 38 HN1 RCY 38 78.464 1.126 -11.949 308 H LYS 39 HN LYS 39 82.254 1.614 -10.436 309 HA LYS 39 HA LYS 39 82.823 -0.288 -12.399 310 HB2 LYS 39 HB2 LYS 39 84.435 1.268 -11.094 311 HB3 LYS 39 HB1 LYS 39 84.538 -0.050 -9.927 312 HG2 LYS 39 HG2 LYS 39 85.229 -1.589 -11.739 313 HG3 LYS 39 HG1 LYS 39 85.160 -0.253 -12.889 314 HD2 LYS 39 HD2 LYS 39 87.403 -0.162 -12.342 315 HD3 LYS 39 HD1 LYS 39 86.757 0.898 -11.089 316 HE2 LYS 39 HE2 LYS 39 88.248 -0.699 -10.035 317 HE3 LYS 39 HE1 LYS 39 86.593 -1.097 -9.573 318 HZ1 LYS 39 HZ1 LYS 39 87.408 -3.129 -10.208 319 HZ2 LYS 39 HZ2 LYS 39 88.386 -2.488 -11.441 320 HZ3 LYS 39 HZ3 LYS 39 86.705 -2.603 -11.659 321 H SER 40 HN SER 40 82.392 -2.431 -12.509 322 HA SER 40 HA SER 40 81.362 -3.886 -10.226 323 HG SER 40 HG SER 40 83.012 -6.055 -12.563 324 HB2 SER 40 HB2 SER 40 81.063 -5.693 -11.725 325 HB3 SER 40 HB1 SER 40 80.852 -4.264 -12.732 326 H LYS 41 HN LYS 41 84.282 -4.498 -12.228 327 HA LYS 41 HA LYS 41 85.491 -6.395 -10.580 328 HB2 LYS 41 HB2 LYS 41 86.505 -4.352 -12.501 329 HB3 LYS 41 HB1 LYS 41 87.695 -5.066 -11.414 330 HG2 LYS 41 HG2 LYS 41 87.552 -6.385 -13.477 331 HG3 LYS 41 HG1 LYS 41 86.947 -7.330 -12.116 332 HD2 LYS 41 HD2 LYS 41 84.650 -6.842 -12.723 333 HD3 LYS 41 HD1 LYS 41 85.179 -5.733 -13.989 334 HE2 LYS 41 HE2 LYS 41 84.514 -8.067 -14.776 335 HE3 LYS 41 HE1 LYS 41 86.107 -7.513 -15.290 336 HZ1 LYS 41 HZ1 LYS 41 85.782 -9.047 -12.793 337 HZ2 LYS 41 HZ2 LYS 41 87.165 -8.864 -13.762 338 HZ3 LYS 41 HZ3 LYS 41 85.882 -9.847 -14.286 339 HA PRO 42 HA PRO 42 86.539 -4.220 -6.873 340 HB2 PRO 42 HB2 PRO 42 88.726 -5.610 -6.027 341 HB3 PRO 42 HB1 PRO 42 87.088 -6.295 -6.001 342 HG2 PRO 42 HG2 PRO 42 89.279 -6.729 -7.971 343 HG3 PRO 42 HG1 PRO 42 88.130 -7.891 -7.285 344 HD2 PRO 42 HD2 PRO 42 87.841 -6.786 -9.785 345 HD3 PRO 42 HD1 PRO 42 86.471 -7.348 -8.801 346 HA PRO 43 HA PRO 43 89.702 -1.232 -7.742 347 HB2 PRO 43 HB2 PRO 43 90.462 -0.475 -5.225 348 HB3 PRO 43 HB1 PRO 43 88.905 -0.019 -5.944 349 HG2 PRO 43 HG2 PRO 43 89.517 -2.169 -3.980 350 HG3 PRO 43 HG1 PRO 43 88.132 -1.067 -4.055 351 HD2 PRO 43 HD2 PRO 43 88.020 -3.671 -4.913 352 HD3 PRO 43 HD1 PRO 43 86.998 -2.381 -5.584 353 H LYS 44 HN LYS 44 92.047 -0.813 -7.560 354 HA LYS 44 HA LYS 44 93.678 -3.080 -7.773 355 HB2 LYS 44 HB2 LYS 44 95.514 -1.302 -6.917 356 HB3 LYS 44 HB1 LYS 44 94.813 -1.226 -8.532 357 HG2 LYS 44 HG2 LYS 44 93.210 0.434 -7.847 358 HG3 LYS 44 HG1 LYS 44 93.641 0.230 -6.149 359 HD2 LYS 44 HD2 LYS 44 94.861 2.138 -6.696 360 HD3 LYS 44 HD1 LYS 44 96.055 0.872 -6.989 361 HE2 LYS 44 HE2 LYS 44 95.181 0.840 -9.407 362 HE3 LYS 44 HE1 LYS 44 94.378 2.360 -9.015 363 HZ1 LYS 44 HZ1 LYS 44 96.300 3.465 -9.044 364 HZ2 LYS 44 HZ2 LYS 44 96.925 2.122 -9.875 365 HZ3 LYS 44 HZ3 LYS 44 97.134 2.256 -8.195 366 H LYS 45 HN LYS 45 94.333 -0.902 -5.051 367 HA LYS 45 HA LYS 45 94.372 -3.303 -3.256 368 HB2 LYS 45 HB2 LYS 45 96.638 -2.522 -3.625 369 HB3 LYS 45 HB1 LYS 45 96.168 -0.860 -3.275 370 HG2 LYS 45 HG2 LYS 45 96.000 -1.239 -0.995 371 HG3 LYS 45 HG1 LYS 45 95.615 -2.948 -1.202 372 HD2 LYS 45 HD2 LYS 45 98.315 -1.977 -2.061 373 HD3 LYS 45 HD1 LYS 45 98.009 -2.203 -0.339 374 HE2 LYS 45 HE2 LYS 45 97.561 -4.305 -2.479 375 HE3 LYS 45 HE1 LYS 45 98.938 -4.254 -1.378 376 HZ1 LYS 45 HZ1 LYS 45 97.317 -4.334 0.478 377 HZ2 LYS 45 HZ2 LYS 45 97.321 -5.733 -0.486 378 HZ3 LYS 45 HZ3 LYS 45 96.079 -4.586 -0.655 379 H GLY 46 HN GLY 46 92.566 -0.703 -3.942 380 HA2 GLY 46 HA2 GLY 46 90.792 0.200 -2.644 381 HA3 GLY 46 HA1 GLY 46 91.478 -0.578 -1.217 382 H VAL 47 HN VAL 47 94.042 0.432 -1.170 383 HA VAL 47 HA VAL 47 95.187 2.302 -0.329 384 HB VAL 47 HB VAL 47 93.577 3.802 -2.415 385 HG11 VAL 47 HG11 VAL 47 96.149 4.250 -0.925 386 HG12 VAL 47 HG12 VAL 47 94.831 5.381 -1.233 387 HG13 VAL 47 HG13 VAL 47 95.940 4.944 -2.532 388 HG21 VAL 47 HG21 VAL 47 94.504 1.827 -3.482 389 HG22 VAL 47 HG22 VAL 47 96.066 2.092 -2.706 390 HG23 VAL 47 HG23 VAL 47 95.493 3.215 -3.939 391 H GLN 48 HN GLN 48 94.702 4.744 0.403 392 HA GLN 48 HA GLN 48 93.576 6.048 1.990 393 HB2 GLN 48 HB2 GLN 48 92.005 6.163 -0.010 394 HB3 GLN 48 HB1 GLN 48 91.060 4.890 0.762 395 HG2 GLN 48 HG2 GLN 48 90.823 6.321 2.781 396 HG3 GLN 48 HG1 GLN 48 91.701 7.606 1.950 397 HE21 GLN 48 HE21 GLN 48 88.637 6.885 2.761 398 HE22 GLN 48 HE22 GLN 48 87.800 7.486 1.412 399 H GLY 49 HN GLY 49 90.705 4.285 2.302 400 HA2 GLY 49 HA2 GLY 49 89.953 2.730 3.902 401 HA3 GLY 49 HA1 GLY 49 91.634 2.267 4.168 402 H1U RCY 50 H1U RCY 50 85.213 2.702 6.000 403 H1S RCY 50 H1S RCY 50 86.221 6.829 4.904 404 HB1 RCY 50 HB1 RCY 50 88.610 6.906 7.810 405 HB2 RCY 50 HB2 RCY 50 87.839 5.546 6.993 406 HA RCY 50 HA RCY 50 90.765 6.321 6.788 407 HN1 RCY 50 HN1 RCY 50 89.318 4.882 4.891 408 H GLY 51 HN GLY 51 88.467 3.721 7.696 409 HA2 GLY 51 HA2 GLY 51 89.644 1.870 9.095 410 HA3 GLY 51 HA1 GLY 51 90.160 3.221 10.106 411 H ASP 52 HN ASP 52 88.740 1.420 11.458 412 HA ASP 52 HA ASP 52 85.951 1.389 11.391 413 HB2 ASP 52 HB2 ASP 52 87.744 1.544 13.836 414 HB3 ASP 52 HB1 ASP 52 86.043 1.076 13.865 415 H ASP 53 HN ASP 53 88.092 3.962 12.473 416 HA ASP 53 HA ASP 53 87.629 6.148 13.199 417 HB2 ASP 53 HB2 ASP 53 85.307 5.640 11.316 418 HB3 ASP 53 HB1 ASP 53 85.719 7.226 11.970 419 H ILE 54 HN ILE 54 84.328 6.383 12.943 420 HA ILE 54 HA ILE 54 83.978 6.438 15.815 421 HB ILE 54 HB ILE 54 81.575 6.851 15.237 422 HG12 ILE 54 HG12 ILE 54 82.633 6.415 12.426 423 HG13 ILE 54 HG11 ILE 54 81.405 5.452 13.249 424 HG21 ILE 54 HG21 ILE 54 81.960 9.017 14.273 425 HG22 ILE 54 HG22 ILE 54 83.454 8.477 13.507 426 HG23 ILE 54 HG23 ILE 54 83.373 8.648 15.260 427 HD11 ILE 54 HD11 ILE 54 80.034 7.586 13.451 428 HD12 ILE 54 HD12 ILE 54 80.223 6.964 11.811 429 HD13 ILE 54 HD13 ILE 54 81.192 8.334 12.351 430 HA PRO 55 HA PRO 55 82.928 2.128 16.277 431 HB2 PRO 55 HB2 PRO 55 81.773 2.206 18.741 432 HB3 PRO 55 HB1 PRO 55 83.519 2.414 18.500 433 HG2 PRO 55 HG2 PRO 55 81.425 4.483 18.952 434 HG3 PRO 55 HG1 PRO 55 83.064 4.371 19.617 435 HD2 PRO 55 HD2 PRO 55 82.412 6.002 17.505 436 HD3 PRO 55 HD1 PRO 55 84.035 5.315 17.741 437 H GLY 56 HN GLY 56 81.217 2.700 14.465 438 HA2 GLY 56 HA2 GLY 56 79.003 2.569 13.685 439 HA3 GLY 56 HA1 GLY 56 78.780 1.434 15.016 440 H MET 57 HN MET 57 78.802 4.920 14.278 441 HA MET 57 HA MET 57 76.989 5.342 16.623 442 HB2 MET 57 HB2 MET 57 79.249 6.605 16.388 443 HB3 MET 57 HB1 MET 57 78.428 7.537 15.136 444 HG2 MET 57 HG2 MET 57 76.669 8.169 16.730 445 HG3 MET 57 HG1 MET 57 77.439 7.199 17.985 446 HE1 MET 57 HE1 MET 57 78.586 10.284 19.660 447 HE2 MET 57 HE2 MET 57 78.066 8.603 19.766 448 HE3 MET 57 HE3 MET 57 76.978 9.815 19.093 449 H GLU 58 HN GLU 58 76.751 4.771 13.431 450 HA GLU 58 HA GLU 58 75.163 5.287 11.789 451 HB2 GLU 58 HB2 GLU 58 73.613 6.068 14.278 452 HB3 GLU 58 HB1 GLU 58 72.904 5.900 12.672 453 HG2 GLU 58 HG2 GLU 58 72.546 3.823 13.857 454 HG3 GLU 58 HG1 GLU 58 73.770 3.535 12.620 455 H GLY 59 HN GLY 59 73.870 7.159 10.852 456 HA2 GLY 59 HA2 GLY 59 74.275 9.834 11.849 457 HA3 GLY 59 HA1 GLY 59 75.448 9.468 10.583 458 H1U RCY 60 H1U RCY 60 75.367 5.097 2.917 459 H1S RCY 60 H1S RCY 60 74.155 9.588 3.731 460 HB1 RCY 60 HB1 RCY 60 71.625 9.038 7.199 461 HB2 RCY 60 HB2 RCY 60 73.377 8.863 7.191 462 HA RCY 60 HA RCY 60 73.033 11.607 7.397 463 HN1 RCY 60 HN1 RCY 60 74.530 10.915 9.064 464 H GLY 61 HN GLY 61 70.842 9.147 8.715 465 HA2 GLY 61 HA2 GLY 61 69.353 10.566 10.559 466 HA3 GLY 61 HA1 GLY 61 68.735 11.135 9.008 467 H THR 62 HN THR 62 68.331 9.173 7.414 468 HA THR 62 HA THR 62 66.247 7.579 8.546 469 HB THR 62 HB THR 62 66.391 6.317 6.367 470 HG1 THR 62 HG1 THR 62 68.714 7.857 6.271 471 HG21 THR 62 HG21 THR 62 64.944 8.185 6.355 472 HG22 THR 62 HG22 THR 62 65.994 8.448 4.962 473 HG23 THR 62 HG23 THR 62 66.282 9.329 6.462 474 H ASP 63 HN ASP 63 66.620 6.043 10.059 475 HA ASP 63 HA ASP 63 69.137 4.654 10.333 476 HB2 ASP 63 HB2 ASP 63 66.423 3.923 11.479 477 HB3 ASP 63 HB1 ASP 63 67.985 3.327 12.040 478 H ILE 64 HN ILE 64 68.267 4.315 7.671 479 HA ILE 64 HA ILE 64 68.568 1.537 7.305 480 HB ILE 64 HB ILE 64 66.454 0.968 8.090 481 HG12 ILE 64 HG12 ILE 64 65.652 1.751 5.287 482 HG13 ILE 64 HG11 ILE 64 66.809 0.452 5.575 483 HG21 ILE 64 HG21 ILE 64 65.366 2.895 8.710 484 HG22 ILE 64 HG22 ILE 64 64.474 2.574 7.223 485 HG23 ILE 64 HG23 ILE 64 65.797 3.740 7.224 486 HD11 ILE 64 HD11 ILE 64 64.064 0.563 6.852 487 HD12 ILE 64 HD12 ILE 64 65.199 -0.786 6.883 488 HD13 ILE 64 HD13 ILE 64 64.417 -0.327 5.371 489 H THR 65 HN THR 65 66.346 3.772 5.726 490 HA THR 65 HA THR 65 66.752 3.287 3.090 491 HB THR 65 HB THR 65 66.969 6.147 4.026 492 HG1 THR 65 HG1 THR 65 65.362 5.334 5.275 493 HG21 THR 65 HG21 THR 65 66.994 5.488 1.570 494 HG22 THR 65 HG22 THR 65 65.723 6.617 2.037 495 HG23 THR 65 HG23 THR 65 65.343 4.911 1.796 496 H VAL 66 HN VAL 66 69.025 5.205 5.066 497 HA VAL 66 HA VAL 66 71.051 4.837 2.885 498 HB VAL 66 HB VAL 66 72.068 6.922 3.608 499 HG11 VAL 66 HG11 VAL 66 70.299 8.475 3.013 500 HG12 VAL 66 HG12 VAL 66 69.063 7.300 3.464 501 HG13 VAL 66 HG13 VAL 66 70.091 7.005 2.061 502 HG21 VAL 66 HG21 VAL 66 70.176 6.556 5.897 503 HG22 VAL 66 HG22 VAL 66 70.560 8.203 5.398 504 HG23 VAL 66 HG23 VAL 66 71.849 7.112 5.906 505 H ILE 67 HN ILE 67 70.459 4.856 6.374 506 HA ILE 67 HA ILE 67 72.945 3.224 6.718 507 HB ILE 67 HB ILE 67 71.902 5.529 8.365 508 HG12 ILE 67 HG12 ILE 67 74.698 4.721 7.508 509 HG13 ILE 67 HG11 ILE 67 73.677 5.852 6.619 510 HG21 ILE 67 HG21 ILE 67 73.571 3.178 9.275 511 HG22 ILE 67 HG22 ILE 67 72.119 3.839 10.028 512 HG23 ILE 67 HG23 ILE 67 73.633 4.741 10.089 513 HD11 ILE 67 HD11 ILE 67 75.063 7.214 7.996 514 HD12 ILE 67 HD12 ILE 67 74.823 6.170 9.397 515 HD13 ILE 67 HD13 ILE 67 73.498 7.173 8.809 516 H1U RCY 68 H1U RCY 68 70.449 -4.049 1.239 517 H1S RCY 68 H1S RCY 68 71.787 -0.765 4.333 518 HB1 RCY 68 HB1 RCY 68 68.988 -0.617 7.474 519 HB2 RCY 68 HB2 RCY 68 70.545 -1.428 7.335 520 HA RCY 68 HA RCY 68 69.810 0.934 8.911 521 HN1 RCY 68 HN1 RCY 68 72.244 1.206 7.195 522 HA PRO 69 HA PRO 69 71.772 -1.131 12.224 523 HB2 PRO 69 HB2 PRO 69 70.582 -3.734 11.490 524 HB3 PRO 69 HB1 PRO 69 70.376 -2.778 12.966 525 HG2 PRO 69 HG2 PRO 69 68.614 -2.972 10.749 526 HG3 PRO 69 HG1 PRO 69 68.434 -1.988 12.206 527 HD2 PRO 69 HD2 PRO 69 68.829 -0.999 9.611 528 HD3 PRO 69 HD1 PRO 69 69.054 -0.077 11.114 529 H TRP 70 HN TRP 70 71.805 -2.857 9.122 530 HA TRP 70 HA TRP 70 73.982 -4.602 9.694 531 HD1 TRP 70 HD1 TRP 70 75.677 -5.393 8.929 532 HE1 TRP 70 HE1 TRP 70 76.853 -7.196 7.513 533 HE3 TRP 70 HE3 TRP 70 72.720 -5.313 4.767 534 HZ2 TRP 70 HZ2 TRP 70 76.577 -8.443 4.949 535 HZ3 TRP 70 HZ3 TRP 70 73.197 -6.814 2.857 536 HH2 TRP 70 HH2 TRP 70 75.117 -8.378 2.941 537 HB2 TRP 70 HB2 TRP 70 72.395 -4.608 7.665 538 HB3 TRP 70 HB1 TRP 70 73.448 -3.374 6.987 539 H GLU 71 HN GLU 71 73.979 -1.318 9.812 540 HA GLU 71 HA GLU 71 76.627 -0.884 8.578 541 HB2 GLU 71 HB2 GLU 71 74.514 0.853 9.822 542 HB3 GLU 71 HB1 GLU 71 76.164 1.468 9.723 543 HG2 GLU 71 HG2 GLU 71 75.221 0.204 7.236 544 HG3 GLU 71 HG1 GLU 71 74.304 1.639 7.697 545 H ALA 72 HN ALA 72 75.164 -0.654 11.841 546 HA ALA 72 HA ALA 72 77.746 -0.270 13.120 547 HB1 ALA 72 HB1 ALA 72 75.157 -1.213 14.388 548 HB2 ALA 72 HB2 ALA 72 75.548 0.482 14.101 549 HB3 ALA 72 HB3 ALA 72 76.532 -0.474 15.208 550 H1U RCY 73 H1U RCY 73 79.624 -0.851 5.218 551 H1S RCY 73 H1S RCY 73 77.933 -2.297 9.462 552 HB1 RCY 73 HB1 RCY 73 79.661 -5.679 11.339 553 HB2 RCY 73 HB2 RCY 73 80.135 -3.983 11.243 554 HA RCY 73 HA RCY 73 77.509 -4.990 12.382 555 HN1 RCY 73 HN1 RCY 73 78.107 -2.410 11.494 556 H ASN 74 HN ASN 74 79.179 -2.592 14.087 557 HA ASN 74 HA ASN 74 80.202 -2.638 16.195 558 HB2 ASN 74 HB2 ASN 74 78.341 -4.471 16.491 559 HB3 ASN 74 HB1 ASN 74 79.692 -5.600 16.390 560 HD21 ASN 74 HD21 ASN 74 78.400 -5.545 18.821 561 HD22 ASN 74 HD22 ASN 74 79.330 -4.727 19.982 562 H HIS 75 HN HIS 75 80.953 -5.289 13.982 563 HA HIS 75 HA HIS 75 83.777 -5.252 14.964 564 HD1 HIS 75 HD1 HIS 75 80.315 -7.740 14.460 565 HD2 HIS 75 HD2 HIS 75 82.742 -7.378 11.086 566 HE1 HIS 75 HE1 HIS 75 78.859 -8.307 12.467 567 HE2 HIS 75 HE2 HIS 75 80.323 -8.090 10.407 568 HB2 HIS 75 HB2 HIS 75 83.954 -7.425 13.706 569 HB3 HIS 75 HB1 HIS 75 82.798 -7.471 15.038 570 H1U RCY 76 H1U RCY 76 81.445 -2.713 5.144 571 H1S RCY 76 H1S RCY 76 82.336 -0.159 8.735 572 HB1 RCY 76 HB1 RCY 76 84.768 -1.079 11.048 573 HB2 RCY 76 HB2 RCY 76 84.000 -1.239 12.627 574 HA RCY 76 HA RCY 76 83.209 -3.280 10.629 575 HN1 RCY 76 HN1 RCY 76 83.098 -3.085 13.416 576 H GLU 77 HN GLU 77 84.576 -5.092 10.102 577 HA GLU 77 HA GLU 77 87.372 -5.157 10.857 578 HB2 GLU 77 HB2 GLU 77 85.703 -6.630 8.818 579 HB3 GLU 77 HB1 GLU 77 87.451 -6.853 8.898 580 HG2 GLU 77 HG2 GLU 77 85.663 -7.147 11.321 581 HG3 GLU 77 HG1 GLU 77 86.062 -8.503 10.265 582 H LEU 78 HN LEU 78 89.168 -4.941 9.277 583 HA LEU 78 HA LEU 78 89.054 -2.462 7.860 584 HG LEU 78 HG LEU 78 90.879 -2.324 6.102 585 HB2 LEU 78 HB2 LEU 78 91.125 -3.671 8.770 586 HB3 LEU 78 HB1 LEU 78 91.043 -4.675 7.322 587 HD11 LEU 78 HD11 LEU 78 90.850 -1.183 8.400 588 HD12 LEU 78 HD12 LEU 78 91.997 -0.543 7.223 589 HD13 LEU 78 HD13 LEU 78 92.558 -1.607 8.512 590 HD21 LEU 78 HD21 LEU 78 93.435 -2.315 6.052 591 HD22 LEU 78 HD22 LEU 78 92.667 -3.843 5.620 592 HD23 LEU 78 HD23 LEU 78 93.368 -3.632 7.224 593 H HIS 79 HN HIS 79 90.606 -4.062 5.580 594 HA HIS 79 HA HIS 79 88.259 -5.010 4.038 595 HD1 HIS 79 HD1 HIS 79 87.039 -2.563 4.833 596 HD2 HIS 79 HD2 HIS 79 90.621 -0.729 3.737 597 HE1 HIS 79 HE1 HIS 79 87.134 -0.368 6.094 598 HE2 HIS 79 HE2 HIS 79 89.310 0.758 5.436 599 HB2 HIS 79 HB2 HIS 79 90.064 -3.157 2.562 600 HB3 HIS 79 HB1 HIS 79 88.321 -3.380 2.418 601 H GLU 80 HN GLU 80 90.497 -6.416 5.155 602 HA GLU 80 HA GLU 80 92.324 -6.925 2.886 603 HB2 GLU 80 HB2 GLU 80 92.792 -6.930 5.546 604 HB3 GLU 80 HB1 GLU 80 92.386 -8.633 5.338 605 HG2 GLU 80 HG2 GLU 80 94.447 -7.151 3.678 606 HG3 GLU 80 HG1 GLU 80 94.831 -8.177 5.062 607 H LEU 81 HN LEU 81 89.336 -8.043 4.034 608 HA LEU 81 HA LEU 81 89.688 -10.742 2.824 609 HG LEU 81 HG LEU 81 89.042 -9.258 5.711 610 HB2 LEU 81 HB2 LEU 81 87.182 -9.745 4.176 611 HB3 LEU 81 HB1 LEU 81 87.753 -11.404 3.998 612 HD11 LEU 81 HD11 LEU 81 86.948 -10.149 6.656 613 HD12 LEU 81 HD12 LEU 81 88.338 -10.718 7.581 614 HD13 LEU 81 HD13 LEU 81 87.542 -11.795 6.434 615 HD21 LEU 81 HD21 LEU 81 90.770 -10.697 4.870 616 HD22 LEU 81 HD22 LEU 81 89.776 -12.134 5.110 617 HD23 LEU 81 HD23 LEU 81 90.410 -11.258 6.503 618 H ALA 82 HN ALA 82 89.281 -7.957 1.461 619 HA ALA 82 HA ALA 82 86.735 -7.981 0.182 620 HB1 ALA 82 HB1 ALA 82 88.256 -6.037 0.098 621 HB2 ALA 82 HB2 ALA 82 87.807 -6.549 -1.528 622 HB3 ALA 82 HB3 ALA 82 89.394 -6.966 -0.880 623 H GLN 83 HN GLN 83 87.682 -7.981 -2.620 624 HA GLN 83 HA GLN 83 87.711 -9.537 -4.382 625 HB2 GLN 83 HB2 GLN 83 89.479 -11.240 -2.625 626 HB3 GLN 83 HB1 GLN 83 89.544 -11.030 -4.374 627 HG2 GLN 83 HG2 GLN 83 91.131 -9.459 -4.029 628 HG3 GLN 83 HG1 GLN 83 89.864 -8.441 -3.343 629 HE21 GLN 83 HE21 GLN 83 92.620 -10.478 -2.561 630 HE22 GLN 83 HE22 GLN 83 92.616 -10.168 -0.892 631 H TYR 84 HN TYR 84 85.811 -9.945 -1.984 632 HA TYR 84 HA TYR 84 84.862 -12.581 -2.891 633 HD1 TYR 84 HD2 TYR 84 82.999 -13.822 -1.243 634 HD2 TYR 84 HD1 TYR 84 87.145 -14.873 -0.842 635 HE1 TYR 84 HE2 TYR 84 82.423 -16.213 -1.558 636 HE2 TYR 84 HE1 TYR 84 86.568 -17.265 -1.156 637 HH TYR 84 HH TYR 84 83.410 -18.434 -0.962 638 HB2 TYR 84 HB2 TYR 84 86.532 -12.632 -0.751 639 HB3 TYR 84 HB1 TYR 84 84.995 -12.371 0.071 640 H GLY 85 HN GLY 85 84.306 -10.323 -0.141 641 HA2 GLY 85 HA2 GLY 85 81.513 -9.980 -1.141 642 HA3 GLY 85 HA1 GLY 85 81.787 -10.405 0.548 643 H ILE 86 HN ILE 86 83.737 -8.837 1.442 644 HA ILE 86 HA ILE 86 82.574 -6.294 1.790 645 HB ILE 86 HB ILE 86 85.521 -7.010 1.951 646 HG12 ILE 86 HG12 ILE 86 83.367 -6.956 4.090 647 HG13 ILE 86 HG11 ILE 86 84.030 -8.420 3.363 648 HG21 ILE 86 HG21 ILE 86 85.464 -5.086 3.642 649 HG22 ILE 86 HG22 ILE 86 83.897 -4.663 2.952 650 HG23 ILE 86 HG23 ILE 86 85.343 -4.631 1.942 651 HD11 ILE 86 HD11 ILE 86 85.399 -8.269 5.218 652 HD12 ILE 86 HD12 ILE 86 85.302 -6.509 5.276 653 HD13 ILE 86 HD13 ILE 86 86.338 -7.297 4.086 654 H1U RCY 87 H1U RCY 87 76.779 -0.891 -2.936 655 H1S RCY 87 H1S RCY 87 79.394 -4.222 -3.690 656 HB1 RCY 87 HB1 RCY 87 82.031 -4.047 -3.570 657 HB2 RCY 87 HB2 RCY 87 81.518 -3.306 -2.055 658 HA RCY 87 HA RCY 87 83.740 -5.267 -2.553 659 HN1 RCY 87 HN1 RCY 87 81.952 -5.626 -0.381 Start of MODEL 69 1 HA MET 1 HA MET 1 64.048 -21.529 15.739 2 HB2 MET 1 HB2 MET 1 62.528 -18.932 16.088 3 HB3 MET 1 HB1 MET 1 62.790 -19.689 14.517 4 HG2 MET 1 HG2 MET 1 60.631 -20.411 15.346 5 HG3 MET 1 HG1 MET 1 61.736 -21.784 15.426 6 HE1 MET 1 HE1 MET 1 61.273 -23.295 17.163 7 HE2 MET 1 HE2 MET 1 61.694 -22.944 18.837 8 HE3 MET 1 HE3 MET 1 62.878 -22.668 17.562 9 H ASN 2 HN ASN 2 64.052 -18.168 15.102 10 HA ASN 2 HA ASN 2 66.867 -17.639 15.403 11 HB2 ASN 2 HB2 ASN 2 67.075 -19.302 13.610 12 HB3 ASN 2 HB1 ASN 2 65.907 -18.414 12.630 13 HD21 ASN 2 HD21 ASN 2 69.212 -18.302 13.939 14 HD22 ASN 2 HD22 ASN 2 69.752 -17.049 12.928 15 H LEU 3 HN LEU 3 63.860 -16.616 15.216 16 HA LEU 3 HA LEU 3 62.814 -14.570 14.725 17 HG LEU 3 HG LEU 3 64.820 -12.970 17.322 18 HB2 LEU 3 HB2 LEU 3 65.691 -13.769 15.198 19 HB3 LEU 3 HB1 LEU 3 64.436 -12.575 14.870 20 HD11 LEU 3 HD11 LEU 3 62.519 -12.453 16.055 21 HD12 LEU 3 HD12 LEU 3 62.582 -12.686 17.802 22 HD13 LEU 3 HD13 LEU 3 62.081 -14.012 16.753 23 HD21 LEU 3 HD21 LEU 3 65.235 -15.488 16.885 24 HD22 LEU 3 HD22 LEU 3 63.477 -15.638 16.877 25 HD23 LEU 3 HD23 LEU 3 64.307 -15.056 18.321 26 H GLU 4 HN GLU 4 62.110 -14.777 12.599 27 HA GLU 4 HA GLU 4 63.968 -14.545 10.362 28 HB2 GLU 4 HB2 GLU 4 61.585 -14.314 9.152 29 HB3 GLU 4 HB1 GLU 4 62.185 -15.871 9.723 30 HG2 GLU 4 HG2 GLU 4 60.886 -15.744 11.726 31 HG3 GLU 4 HG1 GLU 4 60.498 -14.046 11.448 32 HA PRO 5 HA PRO 5 64.270 -10.227 9.569 33 HB2 PRO 5 HB2 PRO 5 62.722 -10.782 7.058 34 HB3 PRO 5 HB1 PRO 5 64.211 -9.841 7.275 35 HG2 PRO 5 HG2 PRO 5 64.229 -12.348 6.325 36 HG3 PRO 5 HG1 PRO 5 65.540 -11.701 7.322 37 HD2 PRO 5 HD2 PRO 5 63.527 -13.745 8.008 38 HD3 PRO 5 HD1 PRO 5 65.080 -13.389 8.793 39 HA PRO 6 HA PRO 6 60.153 -8.930 10.907 40 HB2 PRO 6 HB2 PRO 6 60.771 -6.395 11.644 41 HB3 PRO 6 HB1 PRO 6 61.270 -7.803 12.602 42 HG2 PRO 6 HG2 PRO 6 62.863 -6.164 10.697 43 HG3 PRO 6 HG1 PRO 6 63.335 -6.865 12.254 44 HD2 PRO 6 HD2 PRO 6 63.972 -7.980 9.802 45 HD3 PRO 6 HD1 PRO 6 63.870 -8.901 11.319 46 H LYS 7 HN LYS 7 58.445 -7.971 9.812 47 HA LYS 7 HA LYS 7 59.004 -6.755 7.207 48 HB2 LYS 7 HB2 LYS 7 57.079 -8.330 7.649 49 HB3 LYS 7 HB1 LYS 7 56.330 -7.052 8.604 50 HG2 LYS 7 HG2 LYS 7 56.597 -5.557 6.541 51 HG3 LYS 7 HG1 LYS 7 56.960 -7.034 5.648 52 HD2 LYS 7 HD2 LYS 7 54.668 -6.956 5.347 53 HD3 LYS 7 HD1 LYS 7 54.738 -7.881 6.847 54 HE2 LYS 7 HE2 LYS 7 53.143 -6.178 7.275 55 HE3 LYS 7 HE1 LYS 7 54.621 -5.605 8.050 56 HZ1 LYS 7 HZ1 LYS 7 54.145 -3.764 6.865 57 HZ2 LYS 7 HZ2 LYS 7 53.249 -4.602 5.688 58 HZ3 LYS 7 HZ3 LYS 7 54.947 -4.600 5.626 59 H ALA 8 HN ALA 8 56.288 -5.366 8.740 60 HA ALA 8 HA ALA 8 55.857 -3.202 9.539 61 HB1 ALA 8 HB1 ALA 8 57.428 -2.213 10.932 62 HB2 ALA 8 HB2 ALA 8 58.783 -2.649 9.891 63 HB3 ALA 8 HB3 ALA 8 58.032 -3.869 10.918 64 H GLU 9 HN GLU 9 55.650 -1.205 8.511 65 HA GLU 9 HA GLU 9 56.777 -1.034 5.814 66 HB2 GLU 9 HB2 GLU 9 55.414 1.039 5.653 67 HB3 GLU 9 HB1 GLU 9 54.460 -0.341 6.197 68 HG2 GLU 9 HG2 GLU 9 55.134 0.499 8.598 69 HG3 GLU 9 HG1 GLU 9 55.421 2.030 7.772 70 H1U RCY 10 H1U RCY 10 56.435 -1.036 4.692 71 H1S RCY 10 H1S RCY 10 56.726 2.938 5.413 72 HB1 RCY 10 HB1 RCY 10 58.900 4.267 8.895 73 HB2 RCY 10 HB2 RCY 10 57.489 3.492 9.617 74 HA RCY 10 HA RCY 10 59.400 2.260 7.609 75 HN1 RCY 10 HN1 RCY 10 56.839 1.135 8.671 76 H ARG 11 HN ARG 11 58.046 2.346 10.898 77 HA ARG 11 HA ARG 11 59.910 0.380 11.933 78 HE ARG 11 HE ARG 11 63.692 0.854 14.860 79 HB2 ARG 11 HB2 ARG 11 61.289 2.542 11.442 80 HB3 ARG 11 HB1 ARG 11 60.469 3.194 12.861 81 HG2 ARG 11 HG2 ARG 11 61.272 1.282 14.203 82 HG3 ARG 11 HG1 ARG 11 62.104 0.640 12.786 83 HD2 ARG 11 HD2 ARG 11 63.571 2.547 12.687 84 HD3 ARG 11 HD1 ARG 11 62.633 3.401 13.912 85 HH11 ARG 11 HH21 ARG 11 64.263 4.209 14.312 86 HH12 ARG 11 HH22 ARG 11 65.484 4.338 15.533 87 HH21 ARG 11 HH11 ARG 11 65.283 1.002 16.459 88 HH22 ARG 11 HH12 ARG 11 66.061 2.522 16.749 89 H SER 12 HN SER 12 57.056 1.044 12.076 90 HA SER 12 HA SER 12 55.355 1.074 13.690 91 HG SER 12 HG SER 12 55.753 -0.769 16.530 92 HB2 SER 12 HB2 SER 12 57.028 -0.669 14.660 93 HB3 SER 12 HB1 SER 12 57.470 0.609 15.789 94 H ALA 13 HN ALA 13 57.795 3.310 13.552 95 HA ALA 13 HA ALA 13 56.223 5.283 15.006 96 HB1 ALA 13 HB1 ALA 13 58.056 5.869 16.608 97 HB2 ALA 13 HB2 ALA 13 58.916 4.415 16.101 98 HB3 ALA 13 HB3 ALA 13 57.357 4.280 16.915 99 H THR 14 HN THR 14 57.294 7.471 14.847 100 HA THR 14 HA THR 14 58.743 7.650 12.266 101 HB THR 14 HB THR 14 56.767 9.094 12.611 102 HG1 THR 14 HG1 THR 14 59.318 10.028 12.179 103 HG21 THR 14 HG21 THR 14 56.702 10.765 14.325 104 HG22 THR 14 HG22 THR 14 58.380 10.462 14.773 105 HG23 THR 14 HG23 THR 14 57.143 9.255 15.121 106 H ARG 15 HN ARG 15 60.062 6.747 14.801 107 HA ARG 15 HA ARG 15 61.975 8.993 15.254 108 HE ARG 15 HE ARG 15 62.925 6.340 19.432 109 HB2 ARG 15 HB2 ARG 15 62.782 7.545 17.150 110 HB3 ARG 15 HB1 ARG 15 61.103 8.061 17.305 111 HG2 ARG 15 HG2 ARG 15 60.331 5.936 17.176 112 HG3 ARG 15 HG1 ARG 15 61.376 5.560 15.805 113 HD2 ARG 15 HD2 ARG 15 61.977 4.168 17.739 114 HD3 ARG 15 HD1 ARG 15 63.290 5.281 17.353 115 HH11 ARG 15 HH21 ARG 15 60.261 4.367 18.484 116 HH12 ARG 15 HH22 ARG 15 59.424 4.544 19.990 117 HH21 ARG 15 HH11 ARG 15 61.847 6.582 21.403 118 HH22 ARG 15 HH12 ARG 15 60.321 5.798 21.643 119 H VAL 16 HN VAL 16 62.854 8.519 13.032 120 HA VAL 16 HA VAL 16 64.779 6.221 13.128 121 HB VAL 16 HB VAL 16 63.635 7.453 10.612 122 HG11 VAL 16 HG11 VAL 16 64.540 5.502 9.539 123 HG12 VAL 16 HG12 VAL 16 64.896 4.742 11.090 124 HG13 VAL 16 HG13 VAL 16 65.816 6.153 10.568 125 HG21 VAL 16 HG21 VAL 16 61.735 6.523 11.717 126 HG22 VAL 16 HG22 VAL 16 62.657 5.132 12.288 127 HG23 VAL 16 HG23 VAL 16 62.263 5.286 10.576 128 H MET 17 HN MET 17 64.211 9.577 12.149 129 HA MET 17 HA MET 17 67.021 9.922 11.342 130 HB2 MET 17 HB2 MET 17 64.941 12.087 11.728 131 HB3 MET 17 HB1 MET 17 66.394 12.152 10.731 132 HG2 MET 17 HG2 MET 17 65.364 10.138 9.462 133 HG3 MET 17 HG1 MET 17 63.853 10.602 10.245 134 HE1 MET 17 HE1 MET 17 64.010 13.826 10.397 135 HE2 MET 17 HE2 MET 17 62.715 12.662 10.129 136 HE3 MET 17 HE3 MET 17 62.948 13.988 8.993 137 H GLY 18 HN GLY 18 65.317 9.913 14.248 138 HA2 GLY 18 HA2 GLY 18 65.813 10.728 16.398 139 HA3 GLY 18 HA1 GLY 18 67.493 10.534 15.895 140 H GLY 19 HN GLY 19 67.503 12.551 17.435 141 HA2 GLY 19 HA2 GLY 19 66.840 15.022 15.897 142 HA3 GLY 19 HA1 GLY 19 67.107 14.961 17.640 143 HA PRO 20 HA PRO 20 71.285 16.329 17.398 144 HB2 PRO 20 HB2 PRO 20 71.988 13.706 18.678 145 HB3 PRO 20 HB1 PRO 20 72.505 15.346 19.116 146 HG2 PRO 20 HG2 PRO 20 70.596 14.053 20.472 147 HG3 PRO 20 HG1 PRO 20 70.558 15.807 20.233 148 HD2 PRO 20 HD2 PRO 20 68.832 13.724 19.029 149 HD3 PRO 20 HD1 PRO 20 68.530 15.464 19.223 150 H1U RCY 21 H1U RCY 21 72.137 8.085 8.069 151 H1S RCY 21 H1S RCY 21 70.705 8.873 12.619 152 HB1 RCY 21 HB1 RCY 21 70.261 11.706 13.669 153 HB2 RCY 21 HB2 RCY 21 70.667 11.115 15.280 154 HA RCY 21 HA RCY 21 72.874 12.538 14.877 155 HN1 RCY 21 HN1 RCY 21 70.383 13.193 16.153 156 H THR 22 HN THR 22 73.796 13.941 13.453 157 HA THR 22 HA THR 22 72.154 14.841 11.148 158 HB THR 22 HB THR 22 72.099 16.739 12.672 159 HG1 THR 22 HG1 THR 22 73.175 18.237 11.342 160 HG21 THR 22 HG21 THR 22 75.120 16.485 12.709 161 HG22 THR 22 HG22 THR 22 74.041 16.095 14.049 162 HG23 THR 22 HG23 THR 22 74.187 17.762 13.491 163 HA PRO 23 HA PRO 23 75.483 13.436 8.595 164 HB2 PRO 23 HB2 PRO 23 75.422 16.246 7.533 165 HB3 PRO 23 HB1 PRO 23 75.478 14.710 6.645 166 HG2 PRO 23 HG2 PRO 23 73.208 16.110 6.953 167 HG3 PRO 23 HG1 PRO 23 73.233 14.342 6.872 168 HD2 PRO 23 HD2 PRO 23 72.645 16.078 9.178 169 HD3 PRO 23 HD1 PRO 23 72.298 14.350 8.956 170 H ARG 24 HN ARG 24 77.767 13.547 8.574 171 HA ARG 24 HA ARG 24 78.974 15.178 10.682 172 HE ARG 24 HE ARG 24 82.570 12.383 11.245 173 HB2 ARG 24 HB2 ARG 24 79.862 12.977 8.863 174 HB3 ARG 24 HB1 ARG 24 81.111 14.035 9.516 175 HG2 ARG 24 HG2 ARG 24 79.027 12.935 11.373 176 HG3 ARG 24 HG1 ARG 24 80.356 11.893 10.866 177 HD2 ARG 24 HD2 ARG 24 80.867 14.671 11.925 178 HD3 ARG 24 HD1 ARG 24 80.695 13.294 13.013 179 HH11 ARG 24 HH21 ARG 24 82.154 15.320 13.002 180 HH12 ARG 24 HH22 ARG 24 83.852 15.634 13.140 181 HH21 ARG 24 HH11 ARG 24 84.789 12.776 11.414 182 HH22 ARG 24 HH12 ARG 24 85.344 14.193 12.241 183 H LYS 25 HN LYS 25 78.539 17.312 9.742 184 HA LYS 25 HA LYS 25 79.283 18.240 7.217 185 HB2 LYS 25 HB2 LYS 25 79.805 20.446 8.443 186 HB3 LYS 25 HB1 LYS 25 78.181 19.789 8.635 187 HG2 LYS 25 HG2 LYS 25 80.090 18.749 10.611 188 HG3 LYS 25 HG1 LYS 25 79.859 20.495 10.715 189 HD2 LYS 25 HD2 LYS 25 77.384 20.114 10.737 190 HD3 LYS 25 HD1 LYS 25 77.690 18.378 10.790 191 HE2 LYS 25 HE2 LYS 25 78.582 20.417 12.849 192 HE3 LYS 25 HE1 LYS 25 77.318 19.205 13.059 193 HZ1 LYS 25 HZ1 LYS 25 78.844 17.732 13.636 194 HZ2 LYS 25 HZ2 LYS 25 80.051 18.920 13.503 195 HZ3 LYS 25 HZ3 LYS 25 79.664 17.945 12.167 196 H GLY 26 HN GLY 26 81.192 17.425 6.363 197 HA2 GLY 26 HA2 GLY 26 83.689 18.534 7.478 198 HA3 GLY 26 HA1 GLY 26 83.601 16.774 7.388 199 HA PRO 27 HA PRO 27 85.411 18.761 3.421 200 HB2 PRO 27 HB2 PRO 27 86.959 16.319 3.284 201 HB3 PRO 27 HB1 PRO 27 87.541 17.974 3.527 202 HG2 PRO 27 HG2 PRO 27 87.089 15.855 5.484 203 HG3 PRO 27 HG1 PRO 27 88.072 17.320 5.609 204 HD2 PRO 27 HD2 PRO 27 85.734 16.989 6.984 205 HD3 PRO 27 HD1 PRO 27 86.321 18.584 6.458 206 HA PRO 28 HA PRO 28 83.101 16.698 0.290 207 HB2 PRO 28 HB2 PRO 28 85.643 15.344 -0.574 208 HB3 PRO 28 HB1 PRO 28 84.404 16.143 -1.564 209 HG2 PRO 28 HG2 PRO 28 86.718 17.339 -0.924 210 HG3 PRO 28 HG1 PRO 28 85.204 18.237 -1.115 211 HD2 PRO 28 HD2 PRO 28 86.737 17.704 1.342 212 HD3 PRO 28 HD1 PRO 28 85.454 18.900 1.056 213 H LYS 29 HN LYS 29 81.788 14.932 0.564 214 HA LYS 29 HA LYS 29 82.891 12.274 1.052 215 HB2 LYS 29 HB2 LYS 29 81.600 11.993 3.217 216 HB3 LYS 29 HB1 LYS 29 83.019 13.033 3.330 217 HG2 LYS 29 HG2 LYS 29 81.731 14.998 3.411 218 HG3 LYS 29 HG1 LYS 29 80.315 14.208 2.716 219 HD2 LYS 29 HD2 LYS 29 80.169 12.801 4.800 220 HD3 LYS 29 HD1 LYS 29 81.450 13.796 5.494 221 HE2 LYS 29 HE2 LYS 29 79.281 14.656 6.216 222 HE3 LYS 29 HE1 LYS 29 80.035 15.816 5.122 223 HZ1 LYS 29 HZ1 LYS 29 77.632 15.302 4.686 224 HZ2 LYS 29 HZ2 LYS 29 78.123 13.750 4.200 225 HZ3 LYS 29 HZ3 LYS 29 78.669 15.119 3.355 226 H1U RCY 30 H1U RCY 30 80.439 9.492 -1.983 227 H1S RCY 30 H1S RCY 30 80.246 11.607 1.435 228 HB1 RCY 30 HB1 RCY 30 76.823 12.253 0.759 229 HB2 RCY 30 HB2 RCY 30 77.096 13.912 1.287 230 HA RCY 30 HA RCY 30 78.666 12.250 -0.642 231 HN1 RCY 30 HN1 RCY 30 80.148 14.434 0.702 232 H LYS 31 HN LYS 31 79.003 15.646 0.184 233 HA LYS 31 HA LYS 31 77.941 17.551 -0.786 234 HB2 LYS 31 HB2 LYS 31 78.969 17.978 -2.938 235 HB3 LYS 31 HB1 LYS 31 80.136 17.163 -1.900 236 HG2 LYS 31 HG2 LYS 31 79.342 14.974 -2.964 237 HG3 LYS 31 HG1 LYS 31 78.515 15.972 -4.161 238 HD2 LYS 31 HD2 LYS 31 81.482 16.103 -3.541 239 HD3 LYS 31 HD1 LYS 31 80.774 15.281 -4.932 240 HE2 LYS 31 HE2 LYS 31 81.355 17.385 -5.807 241 HE3 LYS 31 HE1 LYS 31 79.644 17.574 -5.423 242 HZ1 LYS 31 HZ1 LYS 31 81.648 19.174 -4.540 243 HZ2 LYS 31 HZ2 LYS 31 81.370 18.157 -3.208 244 HZ3 LYS 31 HZ3 LYS 31 80.097 19.074 -3.861 245 H GLN 32 HN GLN 32 76.064 15.326 -0.744 246 HA GLN 32 HA GLN 32 74.212 14.446 -1.972 247 HB2 GLN 32 HB2 GLN 32 73.726 16.766 -0.851 248 HB3 GLN 32 HB1 GLN 32 73.663 17.353 -2.512 249 HG2 GLN 32 HG2 GLN 32 71.424 16.745 -2.005 250 HG3 GLN 32 HG1 GLN 32 72.048 15.399 -2.961 251 HE21 GLN 32 HE21 GLN 32 71.584 16.422 0.460 252 HE22 GLN 32 HE22 GLN 32 71.396 14.846 1.062 253 H ARG 33 HN ARG 33 74.918 13.441 -3.894 254 HA ARG 33 HA ARG 33 74.110 14.579 -6.358 255 HE ARG 33 HE ARG 33 76.211 17.232 -9.567 256 HB2 ARG 33 HB2 ARG 33 76.664 15.541 -5.472 257 HB3 ARG 33 HB1 ARG 33 76.932 14.500 -6.866 258 HG2 ARG 33 HG2 ARG 33 75.403 15.779 -8.216 259 HG3 ARG 33 HG1 ARG 33 74.850 16.699 -6.817 260 HD2 ARG 33 HD2 ARG 33 76.593 18.132 -6.945 261 HD3 ARG 33 HD1 ARG 33 77.753 16.821 -7.161 262 HH11 ARG 33 HH21 ARG 33 78.767 18.463 -7.608 263 HH12 ARG 33 HH22 ARG 33 79.596 19.217 -8.929 264 HH21 ARG 33 HH11 ARG 33 77.278 18.209 -11.304 265 HH22 ARG 33 HH12 ARG 33 78.753 19.073 -11.022 266 H GLN 34 HN GLN 34 73.793 12.850 -7.679 267 HA GLN 34 HA GLN 34 74.751 10.227 -6.921 268 HB2 GLN 34 HB2 GLN 34 72.589 10.803 -8.194 269 HB3 GLN 34 HB1 GLN 34 73.610 10.966 -9.622 270 HG2 GLN 34 HG2 GLN 34 74.357 8.676 -9.437 271 HG3 GLN 34 HG1 GLN 34 73.560 8.492 -7.873 272 HE21 GLN 34 HE21 GLN 34 73.161 7.603 -11.013 273 HE22 GLN 34 HE22 GLN 34 71.467 7.573 -11.104 274 H THR 35 HN THR 35 76.781 9.504 -7.313 275 HA THR 35 HA THR 35 78.739 10.863 -8.812 276 HB THR 35 HB THR 35 80.044 8.796 -8.699 277 HG1 THR 35 HG1 THR 35 78.910 7.063 -8.994 278 HG21 THR 35 HG21 THR 35 79.554 10.200 -6.622 279 HG22 THR 35 HG22 THR 35 80.072 8.541 -6.327 280 HG23 THR 35 HG23 THR 35 78.367 8.970 -6.190 281 H ARG 36 HN ARG 36 76.535 8.259 -9.850 282 HA ARG 36 HA ARG 36 76.085 7.431 -12.001 283 HE ARG 36 HE ARG 36 72.043 9.857 -12.646 284 HB2 ARG 36 HB2 ARG 36 76.560 10.377 -12.390 285 HB3 ARG 36 HB1 ARG 36 76.315 9.348 -13.800 286 HG2 ARG 36 HG2 ARG 36 74.220 8.472 -12.630 287 HG3 ARG 36 HG1 ARG 36 74.420 9.800 -11.486 288 HD2 ARG 36 HD2 ARG 36 74.170 11.444 -13.206 289 HD3 ARG 36 HD1 ARG 36 74.316 10.231 -14.479 290 HH11 ARG 36 HH21 ARG 36 73.308 11.126 -15.592 291 HH12 ARG 36 HH22 ARG 36 71.764 11.211 -16.374 292 HH21 ARG 36 HH11 ARG 36 70.020 9.960 -13.650 293 HH22 ARG 36 HH12 ARG 36 69.903 10.551 -15.274 294 H GLN 37 HN GLN 37 79.057 7.934 -10.947 295 HA GLN 37 HA GLN 37 80.343 7.254 -13.566 296 HB2 GLN 37 HB2 GLN 37 81.434 8.752 -11.169 297 HB3 GLN 37 HB1 GLN 37 82.462 8.121 -12.457 298 HG2 GLN 37 HG2 GLN 37 81.441 9.514 -14.096 299 HG3 GLN 37 HG1 GLN 37 80.100 9.919 -13.023 300 HE21 GLN 37 HE21 GLN 37 81.154 12.176 -13.861 301 HE22 GLN 37 HE22 GLN 37 82.270 12.858 -12.779 302 H1U RCY 38 H1U RCY 38 83.159 1.365 -3.849 303 H1S RCY 38 H1S RCY 38 82.826 3.413 -7.533 304 HB1 RCY 38 HB1 RCY 38 81.887 3.411 -9.160 305 HB2 RCY 38 HB2 RCY 38 80.679 4.592 -9.665 306 HA RCY 38 HA RCY 38 83.601 4.892 -10.381 307 HN1 RCY 38 HN1 RCY 38 82.630 6.844 -11.266 308 H LYS 39 HN LYS 39 81.916 4.858 -13.150 309 HA LYS 39 HA LYS 39 81.650 1.929 -13.414 310 HB2 LYS 39 HB2 LYS 39 80.840 2.508 -15.726 311 HB3 LYS 39 HB1 LYS 39 79.889 3.224 -14.426 312 HG2 LYS 39 HG2 LYS 39 80.621 5.362 -14.878 313 HG3 LYS 39 HG1 LYS 39 82.197 4.814 -15.451 314 HD2 LYS 39 HD2 LYS 39 81.134 3.951 -17.516 315 HD3 LYS 39 HD1 LYS 39 79.573 4.545 -16.949 316 HE2 LYS 39 HE2 LYS 39 80.467 6.847 -16.896 317 HE3 LYS 39 HE1 LYS 39 82.024 6.253 -17.473 318 HZ1 LYS 39 HZ1 LYS 39 80.443 7.169 -19.198 319 HZ2 LYS 39 HZ2 LYS 39 79.511 5.770 -18.955 320 HZ3 LYS 39 HZ3 LYS 39 81.108 5.643 -19.520 321 H SER 40 HN SER 40 84.138 1.890 -13.029 322 HA SER 40 HA SER 40 85.770 2.653 -15.338 323 HG SER 40 HG SER 40 86.736 3.665 -13.522 324 HB2 SER 40 HB2 SER 40 86.425 0.924 -12.930 325 HB3 SER 40 HB1 SER 40 87.594 1.514 -14.109 326 H LYS 41 HN LYS 41 84.653 -0.404 -13.871 327 HA LYS 41 HA LYS 41 84.713 -1.644 -16.568 328 HB2 LYS 41 HB2 LYS 41 85.743 -3.253 -14.244 329 HB3 LYS 41 HB1 LYS 41 86.059 -3.459 -15.965 330 HG2 LYS 41 HG2 LYS 41 87.041 -1.060 -14.400 331 HG3 LYS 41 HG1 LYS 41 88.003 -2.524 -14.606 332 HD2 LYS 41 HD2 LYS 41 86.858 -1.554 -17.123 333 HD3 LYS 41 HD1 LYS 41 87.944 -0.386 -16.367 334 HE2 LYS 41 HE2 LYS 41 89.080 -2.032 -17.922 335 HE3 LYS 41 HE1 LYS 41 89.738 -1.987 -16.287 336 HZ1 LYS 41 HZ1 LYS 41 87.593 -3.884 -16.985 337 HZ2 LYS 41 HZ2 LYS 41 88.740 -3.978 -15.735 338 HZ3 LYS 41 HZ3 LYS 41 89.210 -4.250 -17.345 339 HA PRO 42 HA PRO 42 80.817 -3.158 -15.103 340 HB2 PRO 42 HB2 PRO 42 80.510 -5.372 -16.699 341 HB3 PRO 42 HB1 PRO 42 80.296 -3.709 -17.280 342 HG2 PRO 42 HG2 PRO 42 82.631 -5.527 -17.586 343 HG3 PRO 42 HG1 PRO 42 81.926 -4.388 -18.745 344 HD2 PRO 42 HD2 PRO 42 84.194 -3.833 -17.315 345 HD3 PRO 42 HD1 PRO 42 83.065 -2.573 -17.862 346 HA PRO 43 HA PRO 43 81.777 -6.327 -12.125 347 HB2 PRO 43 HB2 PRO 43 79.279 -7.112 -11.391 348 HB3 PRO 43 HB1 PRO 43 79.944 -5.525 -10.956 349 HG2 PRO 43 HG2 PRO 43 78.041 -6.234 -13.133 350 HG3 PRO 43 HG1 PRO 43 78.038 -4.839 -12.042 351 HD2 PRO 43 HD2 PRO 43 78.961 -4.727 -14.631 352 HD3 PRO 43 HD1 PRO 43 79.540 -3.654 -13.338 353 H LYS 44 HN LYS 44 82.530 -8.354 -12.570 354 HA LYS 44 HA LYS 44 81.255 -9.976 -14.665 355 HB2 LYS 44 HB2 LYS 44 83.418 -11.176 -13.016 356 HB3 LYS 44 HB1 LYS 44 83.240 -11.119 -14.768 357 HG2 LYS 44 HG2 LYS 44 85.027 -9.662 -14.485 358 HG3 LYS 44 HG1 LYS 44 83.677 -8.529 -14.405 359 HD2 LYS 44 HD2 LYS 44 84.803 -7.917 -12.481 360 HD3 LYS 44 HD1 LYS 44 83.756 -9.174 -11.821 361 HE2 LYS 44 HE2 LYS 44 85.711 -10.787 -12.464 362 HE3 LYS 44 HE1 LYS 44 86.686 -9.317 -12.487 363 HZ1 LYS 44 HZ1 LYS 44 86.710 -10.378 -10.312 364 HZ2 LYS 44 HZ2 LYS 44 85.020 -10.245 -10.210 365 HZ3 LYS 44 HZ3 LYS 44 85.985 -8.847 -10.233 366 H LYS 45 HN LYS 45 82.111 -10.489 -11.222 367 HA LYS 45 HA LYS 45 79.547 -11.798 -10.729 368 HB2 LYS 45 HB2 LYS 45 80.699 -13.682 -11.739 369 HB3 LYS 45 HB1 LYS 45 82.116 -13.409 -10.725 370 HG2 LYS 45 HG2 LYS 45 80.975 -14.077 -8.756 371 HG3 LYS 45 HG1 LYS 45 79.395 -13.938 -9.527 372 HD2 LYS 45 HD2 LYS 45 81.315 -15.822 -10.792 373 HD3 LYS 45 HD1 LYS 45 80.664 -16.303 -9.225 374 HE2 LYS 45 HE2 LYS 45 79.340 -16.987 -11.351 375 HE3 LYS 45 HE1 LYS 45 78.440 -16.285 -10.006 376 HZ1 LYS 45 HZ1 LYS 45 78.543 -14.138 -11.085 377 HZ2 LYS 45 HZ2 LYS 45 77.838 -15.279 -12.127 378 HZ3 LYS 45 HZ3 LYS 45 79.447 -14.787 -12.365 379 H GLY 46 HN GLY 46 82.705 -10.728 -9.682 380 HA2 GLY 46 HA2 GLY 46 83.434 -9.948 -7.592 381 HA3 GLY 46 HA1 GLY 46 81.729 -9.758 -7.178 382 H VAL 47 HN VAL 47 82.780 -12.887 -8.188 383 HA VAL 47 HA VAL 47 82.355 -14.895 -6.944 384 HB VAL 47 HB VAL 47 84.745 -13.595 -5.614 385 HG11 VAL 47 HG11 VAL 47 83.579 -16.363 -5.563 386 HG12 VAL 47 HG12 VAL 47 84.275 -15.424 -4.243 387 HG13 VAL 47 HG13 VAL 47 85.327 -16.158 -5.454 388 HG21 VAL 47 HG21 VAL 47 86.048 -14.751 -7.303 389 HG22 VAL 47 HG22 VAL 47 84.809 -13.803 -8.125 390 HG23 VAL 47 HG23 VAL 47 84.606 -15.544 -7.935 391 H GLN 48 HN GLN 48 80.328 -13.964 -5.983 392 HA GLN 48 HA GLN 48 78.960 -13.469 -4.128 393 HB2 GLN 48 HB2 GLN 48 79.642 -15.842 -3.747 394 HB3 GLN 48 HB1 GLN 48 80.987 -15.265 -2.765 395 HG2 GLN 48 HG2 GLN 48 79.390 -14.134 -1.250 396 HG3 GLN 48 HG1 GLN 48 78.049 -14.742 -2.221 397 HE21 GLN 48 HE21 GLN 48 77.284 -15.980 -0.309 398 HE22 GLN 48 HE22 GLN 48 78.066 -17.418 0.142 399 H GLY 49 HN GLY 49 81.793 -13.880 -2.070 400 HA2 GLY 49 HA2 GLY 49 81.335 -11.229 -0.922 401 HA3 GLY 49 HA1 GLY 49 82.546 -12.392 -0.389 402 H1U RCY 50 H1U RCY 50 83.123 -5.774 -0.761 403 H1S RCY 50 H1S RCY 50 85.952 -6.893 -3.614 404 HB1 RCY 50 HB1 RCY 50 83.780 -8.849 -3.357 405 HB2 RCY 50 HB2 RCY 50 83.127 -9.385 -4.904 406 HA RCY 50 HA RCY 50 84.688 -11.277 -4.931 407 HN1 RCY 50 HN1 RCY 50 82.981 -12.241 -3.634 408 H GLY 51 HN GLY 51 85.463 -8.815 -2.685 409 HA2 GLY 51 HA2 GLY 51 87.173 -9.908 -0.823 410 HA3 GLY 51 HA1 GLY 51 88.137 -9.926 -2.301 411 H ASP 52 HN ASP 52 89.592 -8.272 -1.890 412 HA ASP 52 HA ASP 52 88.697 -5.555 -2.179 413 HB2 ASP 52 HB2 ASP 52 87.993 -5.829 0.154 414 HB3 ASP 52 HB1 ASP 52 89.606 -6.397 0.590 415 H ASP 53 HN ASP 53 90.354 -4.864 -3.435 416 HA ASP 53 HA ASP 53 93.056 -4.750 -2.421 417 HB2 ASP 53 HB2 ASP 53 92.700 -7.207 -3.214 418 HB3 ASP 53 HB1 ASP 53 92.772 -6.528 -4.841 419 H ILE 54 HN ILE 54 90.852 -4.547 -5.174 420 HA ILE 54 HA ILE 54 92.535 -3.068 -6.921 421 HB ILE 54 HB ILE 54 90.277 -2.147 -7.790 422 HG12 ILE 54 HG12 ILE 54 89.288 -4.199 -5.784 423 HG13 ILE 54 HG11 ILE 54 89.085 -2.454 -5.625 424 HG21 ILE 54 HG21 ILE 54 89.701 -4.337 -8.774 425 HG22 ILE 54 HG22 ILE 54 90.708 -5.142 -7.571 426 HG23 ILE 54 HG23 ILE 54 91.447 -4.086 -8.774 427 HD11 ILE 54 HD11 ILE 54 87.520 -4.336 -7.178 428 HD12 ILE 54 HD12 ILE 54 88.180 -3.071 -8.216 429 HD13 ILE 54 HD13 ILE 54 87.187 -2.640 -6.824 430 HA PRO 55 HA PRO 55 92.646 0.688 -4.442 431 HB2 PRO 55 HB2 PRO 55 94.234 2.167 -6.083 432 HB3 PRO 55 HB1 PRO 55 94.869 0.849 -5.079 433 HG2 PRO 55 HG2 PRO 55 94.232 0.867 -7.985 434 HG3 PRO 55 HG1 PRO 55 95.576 0.096 -7.127 435 HD2 PRO 55 HD2 PRO 55 93.319 -1.254 -7.978 436 HD3 PRO 55 HD1 PRO 55 94.347 -1.789 -6.631 437 H GLY 56 HN GLY 56 90.535 1.531 -4.582 438 HA2 GLY 56 HA2 GLY 56 89.679 3.793 -5.546 439 HA3 GLY 56 HA1 GLY 56 89.793 2.959 -7.098 440 H MET 57 HN MET 57 89.005 0.387 -5.670 441 HA MET 57 HA MET 57 87.001 -0.805 -5.378 442 HB2 MET 57 HB2 MET 57 85.910 1.776 -4.236 443 HB3 MET 57 HB1 MET 57 85.436 0.127 -3.830 444 HG2 MET 57 HG2 MET 57 87.686 -0.289 -2.895 445 HG3 MET 57 HG1 MET 57 88.149 1.368 -3.285 446 HE1 MET 57 HE1 MET 57 86.372 3.634 -1.006 447 HE2 MET 57 HE2 MET 57 86.893 3.341 -2.663 448 HE3 MET 57 HE3 MET 57 88.052 3.199 -1.344 449 H GLU 58 HN GLU 58 87.431 1.126 -7.762 450 HA GLU 58 HA GLU 58 84.759 1.965 -8.510 451 HB2 GLU 58 HB2 GLU 58 85.763 2.518 -10.673 452 HB3 GLU 58 HB1 GLU 58 86.809 3.089 -9.375 453 HG2 GLU 58 HG2 GLU 58 87.181 0.413 -10.745 454 HG3 GLU 58 HG1 GLU 58 88.016 1.883 -11.251 455 H GLY 59 HN GLY 59 83.614 1.060 -10.372 456 HA2 GLY 59 HA2 GLY 59 83.774 -0.992 -11.987 457 HA3 GLY 59 HA1 GLY 59 83.916 -1.905 -10.484 458 H1U RCY 60 H1U RCY 60 80.573 1.249 -2.962 459 H1S RCY 60 H1S RCY 60 81.495 1.191 -6.944 460 HB1 RCY 60 HB1 RCY 60 78.375 0.496 -9.541 461 HB2 RCY 60 HB2 RCY 60 79.641 1.713 -9.702 462 HA RCY 60 HA RCY 60 79.448 -0.952 -11.126 463 HN1 RCY 60 HN1 RCY 60 81.801 0.811 -11.503 464 H GLY 61 HN GLY 61 78.032 1.845 -10.915 465 HA2 GLY 61 HA2 GLY 61 78.189 3.602 -12.895 466 HA3 GLY 61 HA1 GLY 61 77.798 2.174 -13.857 467 H THR 62 HN THR 62 76.447 4.781 -12.317 468 HA THR 62 HA THR 62 74.311 5.230 -11.404 469 HB THR 62 HB THR 62 73.914 5.338 -13.811 470 HG1 THR 62 HG1 THR 62 71.744 5.029 -13.706 471 HG21 THR 62 HG21 THR 62 74.717 3.191 -14.531 472 HG22 THR 62 HG22 THR 62 73.004 3.263 -14.946 473 HG23 THR 62 HG23 THR 62 73.532 2.348 -13.534 474 H ASP 63 HN ASP 63 75.594 2.639 -10.477 475 HA ASP 63 HA ASP 63 73.489 0.691 -10.174 476 HB2 ASP 63 HB2 ASP 63 76.100 1.212 -8.755 477 HB3 ASP 63 HB1 ASP 63 74.982 -0.011 -8.152 478 H ILE 64 HN ILE 64 71.764 2.277 -9.625 479 HA ILE 64 HA ILE 64 71.206 2.313 -6.812 480 HB ILE 64 HB ILE 64 72.952 4.136 -6.973 481 HG12 ILE 64 HG12 ILE 64 70.188 5.164 -6.272 482 HG13 ILE 64 HG11 ILE 64 71.099 4.059 -5.243 483 HG21 ILE 64 HG21 ILE 64 72.244 4.900 -9.251 484 HG22 ILE 64 HG22 ILE 64 72.342 6.217 -8.082 485 HG23 ILE 64 HG23 ILE 64 70.771 5.555 -8.534 486 HD11 ILE 64 HD11 ILE 64 72.776 5.650 -4.806 487 HD12 ILE 64 HD12 ILE 64 71.298 6.612 -4.782 488 HD13 ILE 64 HD13 ILE 64 72.339 6.630 -6.205 489 H THR 65 HN THR 65 70.524 2.775 -10.025 490 HA THR 65 HA THR 65 67.633 3.114 -9.460 491 HB THR 65 HB THR 65 69.252 4.852 -11.354 492 HG1 THR 65 HG1 THR 65 68.340 6.495 -10.089 493 HG21 THR 65 HG21 THR 65 67.306 4.312 -12.586 494 HG22 THR 65 HG22 THR 65 66.914 5.844 -11.806 495 HG23 THR 65 HG23 THR 65 66.288 4.333 -11.146 496 H VAL 66 HN VAL 66 70.288 2.339 -11.609 497 HA VAL 66 HA VAL 66 68.486 0.808 -13.407 498 HB VAL 66 HB VAL 66 71.478 1.284 -13.599 499 HG11 VAL 66 HG11 VAL 66 71.264 0.461 -15.854 500 HG12 VAL 66 HG12 VAL 66 69.506 0.407 -15.724 501 HG13 VAL 66 HG13 VAL 66 70.494 -0.720 -14.794 502 HG21 VAL 66 HG21 VAL 66 70.413 3.420 -13.803 503 HG22 VAL 66 HG22 VAL 66 69.104 2.748 -14.776 504 HG23 VAL 66 HG23 VAL 66 70.728 2.877 -15.452 505 H ILE 67 HN ILE 67 71.284 0.411 -11.229 506 HA ILE 67 HA ILE 67 70.511 -2.459 -10.954 507 HB ILE 67 HB ILE 67 73.323 -1.393 -11.341 508 HG12 ILE 67 HG12 ILE 67 71.675 -2.027 -13.297 509 HG13 ILE 67 HG11 ILE 67 73.344 -2.599 -13.343 510 HG21 ILE 67 HG21 ILE 67 73.567 -2.988 -9.621 511 HG22 ILE 67 HG22 ILE 67 73.843 -3.926 -11.089 512 HG23 ILE 67 HG23 ILE 67 72.285 -4.013 -10.267 513 HD11 ILE 67 HD11 ILE 67 71.381 -4.302 -13.744 514 HD12 ILE 67 HD12 ILE 67 71.248 -4.268 -11.985 515 HD13 ILE 67 HD13 ILE 67 72.756 -4.777 -12.746 516 H1U RCY 68 H1U RCY 68 72.700 4.474 -3.646 517 H1S RCY 68 H1S RCY 68 70.958 0.307 -5.379 518 HB1 RCY 68 HB1 RCY 68 69.024 -1.494 -5.545 519 HB2 RCY 68 HB2 RCY 68 68.375 -1.485 -7.180 520 HA RCY 68 HA RCY 68 71.233 -0.714 -6.874 521 HN1 RCY 68 HN1 RCY 68 69.577 -2.019 -8.946 522 HA PRO 69 HA PRO 69 73.093 -4.759 -6.032 523 HB2 PRO 69 HB2 PRO 69 73.560 -3.341 -3.434 524 HB3 PRO 69 HB1 PRO 69 74.681 -4.316 -4.403 525 HG2 PRO 69 HG2 PRO 69 74.774 -1.654 -4.427 526 HG3 PRO 69 HG1 PRO 69 75.088 -2.605 -5.888 527 HD2 PRO 69 HD2 PRO 69 72.720 -0.935 -5.211 528 HD3 PRO 69 HD1 PRO 69 73.367 -1.383 -6.805 529 H TRP 70 HN TRP 70 70.270 -3.510 -4.769 530 HA TRP 70 HA TRP 70 69.930 -5.279 -2.498 531 HD1 TRP 70 HD1 TRP 70 69.127 -4.583 -0.534 532 HE1 TRP 70 HE1 TRP 70 67.224 -5.320 1.039 533 HE3 TRP 70 HE3 TRP 70 65.206 -4.520 -3.805 534 HZ2 TRP 70 HZ2 TRP 70 64.405 -5.818 0.926 535 HZ3 TRP 70 HZ3 TRP 70 62.929 -5.128 -3.049 536 HH2 TRP 70 HH2 TRP 70 62.521 -5.776 -0.692 537 HB2 TRP 70 HB2 TRP 70 68.645 -3.075 -3.088 538 HB3 TRP 70 HB1 TRP 70 67.641 -4.125 -4.085 539 H GLU 71 HN GLU 71 70.086 -5.855 -5.801 540 HA GLU 71 HA GLU 71 68.877 -8.529 -5.407 541 HB2 GLU 71 HB2 GLU 71 67.951 -6.597 -7.556 542 HB3 GLU 71 HB1 GLU 71 67.539 -8.312 -7.508 543 HG2 GLU 71 HG2 GLU 71 66.609 -7.905 -5.176 544 HG3 GLU 71 HG1 GLU 71 66.794 -6.180 -5.493 545 H ALA 72 HN ALA 72 71.215 -6.494 -6.706 546 HA ALA 72 HA ALA 72 71.918 -8.106 -9.031 547 HB1 ALA 72 HB1 ALA 72 72.462 -5.573 -8.457 548 HB2 ALA 72 HB2 ALA 72 73.585 -6.536 -9.417 549 HB3 ALA 72 HB3 ALA 72 73.889 -6.282 -7.698 550 H1U RCY 73 H1U RCY 73 74.445 -7.922 0.976 551 H1S RCY 73 H1S RCY 73 76.197 -10.178 -2.057 552 HB1 RCY 73 HB1 RCY 73 75.073 -8.264 -3.932 553 HB2 RCY 73 HB2 RCY 73 76.195 -7.663 -5.153 554 HA RCY 73 HA RCY 73 75.624 -9.694 -6.546 555 HN1 RCY 73 HN1 RCY 73 74.038 -7.362 -6.249 556 H ASN 74 HN ASN 74 73.578 -9.240 -3.665 557 HA ASN 74 HA ASN 74 72.444 -11.967 -4.097 558 HB2 ASN 74 HB2 ASN 74 74.457 -11.994 -2.523 559 HB3 ASN 74 HB1 ASN 74 73.480 -11.033 -1.412 560 HD21 ASN 74 HD21 ASN 74 71.290 -12.916 -3.053 561 HD22 ASN 74 HD22 ASN 74 71.208 -14.241 -1.996 562 H HIS 75 HN HIS 75 70.287 -11.577 -4.194 563 HA HIS 75 HA HIS 75 68.980 -9.270 -3.188 564 HD1 HIS 75 HD1 HIS 75 67.134 -13.077 -2.129 565 HD2 HIS 75 HD2 HIS 75 69.098 -12.867 -5.802 566 HE1 HIS 75 HE1 HIS 75 67.730 -15.457 -2.758 567 HE2 HIS 75 HE2 HIS 75 68.926 -15.343 -4.993 568 HB2 HIS 75 HB2 HIS 75 66.889 -10.763 -3.355 569 HB3 HIS 75 HB1 HIS 75 67.824 -10.537 -4.833 570 H1U RCY 76 H1U RCY 76 74.673 -5.630 5.575 571 H1S RCY 76 H1S RCY 76 71.049 -7.453 3.839 572 HB1 RCY 76 HB1 RCY 76 71.303 -10.102 1.012 573 HB2 RCY 76 HB2 RCY 76 70.417 -10.162 2.535 574 HA RCY 76 HA RCY 76 68.952 -11.153 0.951 575 HN1 RCY 76 HN1 RCY 76 69.938 -9.134 -0.974 576 H GLU 77 HN GLU 77 66.670 -10.497 0.466 577 HA GLU 77 HA GLU 77 65.628 -7.916 1.023 578 HB2 GLU 77 HB2 GLU 77 64.525 -10.674 0.827 579 HB3 GLU 77 HB1 GLU 77 63.531 -9.499 1.687 580 HG2 GLU 77 HG2 GLU 77 63.574 -7.992 -0.224 581 HG3 GLU 77 HG1 GLU 77 64.693 -9.055 -1.079 582 H LEU 78 HN LEU 78 66.939 -7.370 2.966 583 HA LEU 78 HA LEU 78 65.381 -7.781 5.388 584 HG LEU 78 HG LEU 78 68.043 -9.556 3.795 585 HB2 LEU 78 HB2 LEU 78 67.535 -8.604 6.634 586 HB3 LEU 78 HB1 LEU 78 66.553 -9.777 5.761 587 HD11 LEU 78 HD11 LEU 78 69.372 -7.545 5.604 588 HD12 LEU 78 HD12 LEU 78 68.908 -7.369 3.912 589 HD13 LEU 78 HD13 LEU 78 70.294 -8.370 4.347 590 HD21 LEU 78 HD21 LEU 78 68.487 -11.035 5.987 591 HD22 LEU 78 HD22 LEU 78 69.934 -10.029 6.058 592 HD23 LEU 78 HD23 LEU 78 69.618 -11.021 4.633 593 H HIS 79 HN HIS 79 67.300 -6.914 7.258 594 HA HIS 79 HA HIS 79 68.792 -4.661 6.185 595 HD1 HIS 79 HD1 HIS 79 68.785 -2.882 5.061 596 HD2 HIS 79 HD2 HIS 79 66.904 -1.146 8.355 597 HE1 HIS 79 HE1 HIS 79 69.571 -0.476 5.148 598 HE2 HIS 79 HE2 HIS 79 68.434 0.592 7.149 599 HB2 HIS 79 HB2 HIS 79 66.251 -4.010 6.221 600 HB3 HIS 79 HB1 HIS 79 66.498 -3.855 7.959 601 H GLU 80 HN GLU 80 68.552 -7.010 8.333 602 HA GLU 80 HA GLU 80 70.187 -5.536 10.335 603 HB2 GLU 80 HB2 GLU 80 67.750 -7.228 10.953 604 HB3 GLU 80 HB1 GLU 80 68.965 -6.816 12.162 605 HG2 GLU 80 HG2 GLU 80 67.439 -4.782 10.511 606 HG3 GLU 80 HG1 GLU 80 67.022 -5.239 12.163 607 H LEU 81 HN LEU 81 69.596 -8.284 8.427 608 HA LEU 81 HA LEU 81 71.474 -9.964 10.020 609 HG LEU 81 HG LEU 81 69.281 -12.665 9.377 610 HB2 LEU 81 HB2 LEU 81 69.235 -10.506 8.221 611 HB3 LEU 81 HB1 LEU 81 70.673 -11.404 7.740 612 HD11 LEU 81 HD11 LEU 81 71.135 -13.535 10.402 613 HD12 LEU 81 HD12 LEU 81 71.688 -11.958 10.966 614 HD13 LEU 81 HD13 LEU 81 71.983 -12.451 9.299 615 HD21 LEU 81 HD21 LEU 81 70.125 -10.805 11.553 616 HD22 LEU 81 HD22 LEU 81 68.683 -11.814 11.435 617 HD23 LEU 81 HD23 LEU 81 68.773 -10.297 10.541 618 H ALA 82 HN ALA 82 72.036 -7.526 8.256 619 HA ALA 82 HA ALA 82 73.323 -8.179 5.863 620 HB1 ALA 82 HB1 ALA 82 73.040 -5.877 7.055 621 HB2 ALA 82 HB2 ALA 82 74.470 -6.131 6.056 622 HB3 ALA 82 HB3 ALA 82 74.587 -6.258 7.811 623 H GLN 83 HN GLN 83 74.336 -10.245 6.046 624 HA GLN 83 HA GLN 83 76.082 -11.728 6.525 625 HB2 GLN 83 HB2 GLN 83 77.229 -9.583 5.509 626 HB3 GLN 83 HB1 GLN 83 77.828 -9.352 7.148 627 HG2 GLN 83 HG2 GLN 83 78.884 -11.529 7.142 628 HG3 GLN 83 HG1 GLN 83 78.142 -11.933 5.593 629 HE21 GLN 83 HE21 GLN 83 80.261 -9.366 7.005 630 HE22 GLN 83 HE22 GLN 83 81.223 -9.197 5.617 631 H TYR 84 HN TYR 84 77.235 -9.197 8.739 632 HA TYR 84 HA TYR 84 77.007 -11.154 10.953 633 HD1 TYR 84 HD2 TYR 84 79.109 -11.719 12.381 634 HD2 TYR 84 HD1 TYR 84 80.079 -9.075 9.138 635 HE1 TYR 84 HE2 TYR 84 81.053 -13.144 11.801 636 HE2 TYR 84 HE1 TYR 84 82.024 -10.500 8.558 637 HH TYR 84 HH TYR 84 82.422 -13.593 9.640 638 HB2 TYR 84 HB2 TYR 84 78.386 -8.474 10.670 639 HB3 TYR 84 HB1 TYR 84 78.244 -9.302 12.220 640 H GLY 85 HN GLY 85 76.286 -7.658 10.536 641 HA2 GLY 85 HA2 GLY 85 73.655 -7.447 11.007 642 HA3 GLY 85 HA1 GLY 85 74.203 -7.902 12.619 643 H ILE 86 HN ILE 86 76.093 -5.873 10.427 644 HA ILE 86 HA ILE 86 75.878 -3.683 12.439 645 HB ILE 86 HB ILE 86 78.160 -4.203 12.045 646 HG12 ILE 86 HG12 ILE 86 77.858 -2.065 9.964 647 HG13 ILE 86 HG11 ILE 86 77.306 -1.728 11.605 648 HG21 ILE 86 HG21 ILE 86 78.730 -4.003 9.360 649 HG22 ILE 86 HG22 ILE 86 77.153 -4.792 9.341 650 HG23 ILE 86 HG23 ILE 86 78.493 -5.521 10.226 651 HD11 ILE 86 HD11 ILE 86 80.015 -2.952 11.211 652 HD12 ILE 86 HD12 ILE 86 79.443 -1.901 12.506 653 HD13 ILE 86 HD13 ILE 86 79.808 -1.225 10.919 654 H1U RCY 87 H1U RCY 87 79.105 -3.155 3.275 655 H1S RCY 87 H1S RCY 87 76.023 0.029 4.184 656 HB1 RCY 87 HB1 RCY 87 76.162 -2.370 6.452 657 HB2 RCY 87 HB2 RCY 87 77.078 -1.399 7.606 658 HA RCY 87 HA RCY 87 74.770 -1.095 8.800 659 HN1 RCY 87 HN1 RCY 87 76.673 -3.294 9.018 Start of MODEL 70 1 HA MET 1 HA MET 1 69.621 -22.359 13.014 2 HB2 MET 1 HB2 MET 1 72.124 -23.175 14.509 3 HB3 MET 1 HB1 MET 1 71.365 -21.595 14.707 4 HG2 MET 1 HG2 MET 1 69.327 -22.582 15.512 5 HG3 MET 1 HG1 MET 1 69.867 -24.201 15.068 6 HE1 MET 1 HE1 MET 1 70.847 -21.687 18.705 7 HE2 MET 1 HE2 MET 1 69.262 -22.023 18.012 8 HE3 MET 1 HE3 MET 1 70.436 -21.083 17.095 9 H ASN 2 HN ASN 2 73.150 -22.832 12.594 10 HA ASN 2 HA ASN 2 74.692 -21.582 11.345 11 HB2 ASN 2 HB2 ASN 2 73.186 -22.640 9.553 12 HB3 ASN 2 HB1 ASN 2 72.396 -21.066 9.448 13 HD21 ASN 2 HD21 ASN 2 75.196 -19.867 10.192 14 HD22 ASN 2 HD22 ASN 2 76.013 -19.859 8.704 15 H LEU 3 HN LEU 3 73.045 -19.394 9.582 16 HA LEU 3 HA LEU 3 73.922 -17.131 10.987 17 HG LEU 3 HG LEU 3 72.273 -18.744 8.408 18 HB2 LEU 3 HB2 LEU 3 71.769 -16.068 9.750 19 HB3 LEU 3 HB1 LEU 3 73.245 -16.488 8.887 20 HD11 LEU 3 HD11 LEU 3 70.680 -19.152 10.070 21 HD12 LEU 3 HD12 LEU 3 69.662 -18.719 8.696 22 HD13 LEU 3 HD13 LEU 3 69.999 -17.529 9.953 23 HD21 LEU 3 HD21 LEU 3 72.082 -16.934 6.751 24 HD22 LEU 3 HD22 LEU 3 70.602 -16.368 7.525 25 HD23 LEU 3 HD23 LEU 3 70.634 -17.940 6.726 26 H GLU 4 HN GLU 4 73.185 -16.036 12.759 27 HA GLU 4 HA GLU 4 71.219 -17.232 14.464 28 HB2 GLU 4 HB2 GLU 4 71.477 -15.193 15.835 29 HB3 GLU 4 HB1 GLU 4 73.042 -15.834 15.337 30 HG2 GLU 4 HG2 GLU 4 73.423 -13.679 14.676 31 HG3 GLU 4 HG1 GLU 4 72.511 -14.171 13.248 32 HA PRO 5 HA PRO 5 67.572 -15.876 12.165 33 HB2 PRO 5 HB2 PRO 5 66.433 -16.131 14.930 34 HB3 PRO 5 HB1 PRO 5 65.781 -16.718 13.387 35 HG2 PRO 5 HG2 PRO 5 67.002 -18.354 15.105 36 HG3 PRO 5 HG1 PRO 5 67.162 -18.556 13.353 37 HD2 PRO 5 HD2 PRO 5 69.173 -17.593 15.317 38 HD3 PRO 5 HD1 PRO 5 69.419 -18.350 13.728 39 HA PRO 6 HA PRO 6 67.502 -11.550 13.223 40 HB2 PRO 6 HB2 PRO 6 65.189 -10.782 11.996 41 HB3 PRO 6 HB1 PRO 6 66.662 -11.195 11.097 42 HG2 PRO 6 HG2 PRO 6 64.234 -12.844 11.592 43 HG3 PRO 6 HG1 PRO 6 65.214 -12.688 10.125 44 HD2 PRO 6 HD2 PRO 6 65.433 -14.809 11.855 45 HD3 PRO 6 HD1 PRO 6 66.777 -14.235 10.843 46 H LYS 7 HN LYS 7 66.314 -9.969 14.519 47 HA LYS 7 HA LYS 7 64.116 -11.150 16.179 48 HB2 LYS 7 HB2 LYS 7 66.434 -10.930 17.303 49 HB3 LYS 7 HB1 LYS 7 66.157 -9.191 17.242 50 HG2 LYS 7 HG2 LYS 7 65.201 -9.610 19.295 51 HG3 LYS 7 HG1 LYS 7 63.795 -9.940 18.282 52 HD2 LYS 7 HD2 LYS 7 64.010 -11.804 19.780 53 HD3 LYS 7 HD1 LYS 7 64.561 -12.361 18.200 54 HE2 LYS 7 HE2 LYS 7 66.003 -12.760 20.429 55 HE3 LYS 7 HE1 LYS 7 66.761 -12.495 18.859 56 HZ1 LYS 7 HZ1 LYS 7 67.661 -11.076 20.650 57 HZ2 LYS 7 HZ2 LYS 7 66.139 -10.336 20.797 58 HZ3 LYS 7 HZ3 LYS 7 67.022 -10.189 19.353 59 H ALA 8 HN ALA 8 65.227 -8.582 14.221 60 HA ALA 8 HA ALA 8 63.830 -6.352 15.262 61 HB1 ALA 8 HB1 ALA 8 64.076 -6.965 12.310 62 HB2 ALA 8 HB2 ALA 8 65.445 -6.416 13.278 63 HB3 ALA 8 HB3 ALA 8 64.028 -5.383 13.088 64 H GLU 9 HN GLU 9 61.704 -5.596 14.960 65 HA GLU 9 HA GLU 9 59.782 -6.952 13.278 66 HB2 GLU 9 HB2 GLU 9 60.145 -8.543 15.282 67 HB3 GLU 9 HB1 GLU 9 59.311 -7.320 16.240 68 HG2 GLU 9 HG2 GLU 9 57.625 -8.861 15.521 69 HG3 GLU 9 HG1 GLU 9 57.438 -7.424 14.514 70 H1U RCY 10 H1U RCY 10 65.237 -1.699 12.106 71 H1S RCY 10 H1S RCY 10 62.917 -1.079 15.374 72 HB1 RCY 10 HB1 RCY 10 59.524 -0.865 14.155 73 HB2 RCY 10 HB2 RCY 10 60.745 -1.967 13.519 74 HA RCY 10 HA RCY 10 58.441 -2.969 15.195 75 HN1 RCY 10 HN1 RCY 10 60.492 -4.280 13.509 76 H ARG 11 HN ARG 11 57.135 -1.183 14.076 77 HA ARG 11 HA ARG 11 55.446 -0.694 12.521 78 HE ARG 11 HE ARG 11 55.039 3.116 10.400 79 HB2 ARG 11 HB2 ARG 11 57.953 -1.131 11.024 80 HB3 ARG 11 HB1 ARG 11 56.501 -1.318 10.044 81 HG2 ARG 11 HG2 ARG 11 56.830 1.051 11.880 82 HG3 ARG 11 HG1 ARG 11 57.520 1.060 10.257 83 HD2 ARG 11 HD2 ARG 11 55.159 0.332 9.473 84 HD3 ARG 11 HD1 ARG 11 54.620 0.872 11.063 85 HH11 ARG 11 HH21 ARG 11 56.303 0.790 8.191 86 HH12 ARG 11 HH22 ARG 11 56.665 1.956 6.963 87 HH21 ARG 11 HH11 ARG 11 55.504 4.652 8.809 88 HH22 ARG 11 HH12 ARG 11 56.213 4.143 7.313 89 H SER 12 HN SER 12 56.818 -3.230 10.488 90 HA SER 12 HA SER 12 54.991 -5.297 11.370 91 HG SER 12 HG SER 12 54.723 -3.945 7.879 92 HB2 SER 12 HB2 SER 12 53.702 -5.319 9.164 93 HB3 SER 12 HB1 SER 12 53.282 -4.025 10.283 94 H ALA 13 HN ALA 13 55.776 -4.663 7.986 95 HA ALA 13 HA ALA 13 57.029 -5.985 6.492 96 HB1 ALA 13 HB1 ALA 13 59.027 -6.099 8.759 97 HB2 ALA 13 HB2 ALA 13 58.753 -4.630 7.822 98 HB3 ALA 13 HB3 ALA 13 59.351 -6.086 7.025 99 H THR 14 HN THR 14 55.418 -7.776 6.845 100 HA THR 14 HA THR 14 55.959 -9.883 8.731 101 HB THR 14 HB THR 14 53.740 -9.692 7.788 102 HG1 THR 14 HG1 THR 14 54.207 -11.790 8.178 103 HG21 THR 14 HG21 THR 14 55.097 -10.135 5.114 104 HG22 THR 14 HG22 THR 14 54.351 -8.635 5.663 105 HG23 THR 14 HG23 THR 14 53.353 -10.058 5.365 106 H ARG 15 HN ARG 15 57.334 -9.025 5.682 107 HA ARG 15 HA ARG 15 59.144 -11.353 5.870 108 HE ARG 15 HE ARG 15 58.373 -12.519 1.083 109 HB2 ARG 15 HB2 ARG 15 58.828 -11.882 3.443 110 HB3 ARG 15 HB1 ARG 15 57.400 -12.225 4.417 111 HG2 ARG 15 HG2 ARG 15 56.168 -10.781 3.201 112 HG3 ARG 15 HG1 ARG 15 57.319 -9.483 3.520 113 HD2 ARG 15 HD2 ARG 15 57.107 -9.915 1.094 114 HD3 ARG 15 HD1 ARG 15 58.737 -10.268 1.668 115 HH11 ARG 15 HH21 ARG 15 55.412 -10.797 1.474 116 HH12 ARG 15 HH22 ARG 15 54.421 -12.117 0.948 117 HH21 ARG 15 HH11 ARG 15 57.096 -14.252 0.393 118 HH22 ARG 15 HH12 ARG 15 55.374 -14.073 0.336 119 H VAL 16 HN VAL 16 60.631 -9.600 6.407 120 HA VAL 16 HA VAL 16 61.171 -7.310 4.903 121 HB VAL 16 HB VAL 16 63.505 -7.500 5.719 122 HG11 VAL 16 HG11 VAL 16 62.934 -7.728 8.157 123 HG12 VAL 16 HG12 VAL 16 61.335 -8.298 7.681 124 HG13 VAL 16 HG13 VAL 16 61.844 -6.658 7.276 125 HG21 VAL 16 HG21 VAL 16 63.982 -9.821 5.427 126 HG22 VAL 16 HG22 VAL 16 62.579 -10.304 6.380 127 HG23 VAL 16 HG23 VAL 16 63.970 -9.563 7.171 128 H MET 17 HN MET 17 61.587 -10.608 3.991 129 HA MET 17 HA MET 17 63.618 -10.190 1.968 130 HB2 MET 17 HB2 MET 17 62.829 -12.414 3.082 131 HB3 MET 17 HB1 MET 17 61.555 -12.388 1.862 132 HG2 MET 17 HG2 MET 17 63.347 -13.653 0.908 133 HG3 MET 17 HG1 MET 17 63.403 -12.071 0.129 134 HE1 MET 17 HE1 MET 17 66.126 -13.854 3.306 135 HE2 MET 17 HE2 MET 17 65.680 -14.718 1.837 136 HE3 MET 17 HE3 MET 17 64.427 -14.206 2.966 137 H GLY 18 HN GLY 18 61.334 -8.314 1.919 138 HA2 GLY 18 HA2 GLY 18 60.982 -7.878 -0.790 139 HA3 GLY 18 HA1 GLY 18 59.683 -8.998 -0.376 140 H GLY 19 HN GLY 19 58.585 -8.275 1.852 141 HA2 GLY 19 HA2 GLY 19 57.404 -6.616 3.040 142 HA3 GLY 19 HA1 GLY 19 58.465 -5.408 2.313 143 HA PRO 20 HA PRO 20 54.112 -4.846 0.650 144 HB2 PRO 20 HB2 PRO 20 55.328 -2.120 0.426 145 HB3 PRO 20 HB1 PRO 20 53.708 -2.590 0.978 146 HG2 PRO 20 HG2 PRO 20 55.601 -1.849 2.694 147 HG3 PRO 20 HG1 PRO 20 54.438 -3.126 3.089 148 HD2 PRO 20 HD2 PRO 20 57.329 -3.368 2.383 149 HD3 PRO 20 HD1 PRO 20 56.332 -4.399 3.434 150 H1U RCY 21 H1U RCY 21 62.609 -2.237 2.296 151 H1S RCY 21 H1S RCY 21 59.716 -1.206 -0.910 152 HB1 RCY 21 HB1 RCY 21 57.442 -1.833 -2.400 153 HB2 RCY 21 HB2 RCY 21 57.866 -2.420 -4.007 154 HA RCY 21 HA RCY 21 56.216 -3.944 -3.346 155 HN1 RCY 21 HN1 RCY 21 57.274 -3.767 -0.557 156 H THR 22 HN THR 22 57.334 -5.247 -4.869 157 HA THR 22 HA THR 22 58.783 -7.500 -3.674 158 HB THR 22 HB THR 22 57.212 -8.109 -5.362 159 HG1 THR 22 HG1 THR 22 59.260 -8.234 -7.119 160 HG21 THR 22 HG21 THR 22 58.525 -5.916 -6.978 161 HG22 THR 22 HG22 THR 22 56.843 -6.014 -6.455 162 HG23 THR 22 HG23 THR 22 57.448 -7.114 -7.694 163 HA PRO 23 HA PRO 23 62.936 -6.084 -4.329 164 HB2 PRO 23 HB2 PRO 23 63.416 -8.715 -5.667 165 HB3 PRO 23 HB1 PRO 23 64.305 -7.948 -4.338 166 HG2 PRO 23 HG2 PRO 23 62.618 -9.975 -3.920 167 HG3 PRO 23 HG1 PRO 23 62.816 -8.662 -2.749 168 HD2 PRO 23 HD2 PRO 23 60.538 -9.210 -4.589 169 HD3 PRO 23 HD1 PRO 23 60.546 -8.382 -3.016 170 H ARG 24 HN ARG 24 64.689 -6.391 -6.331 171 HA ARG 24 HA ARG 24 63.232 -5.326 -8.696 172 HE ARG 24 HE ARG 24 66.110 -1.054 -9.916 173 HB2 ARG 24 HB2 ARG 24 65.300 -4.201 -7.545 174 HB3 ARG 24 HB1 ARG 24 66.233 -5.411 -8.425 175 HG2 ARG 24 HG2 ARG 24 65.083 -4.664 -10.534 176 HG3 ARG 24 HG1 ARG 24 64.349 -3.353 -9.609 177 HD2 ARG 24 HD2 ARG 24 66.928 -3.012 -8.886 178 HD3 ARG 24 HD1 ARG 24 67.167 -3.702 -10.492 179 HH11 ARG 24 HH21 ARG 24 66.101 -3.753 -12.061 180 HH12 ARG 24 HH22 ARG 24 65.653 -2.818 -13.449 181 HH21 ARG 24 HH11 ARG 24 65.525 0.183 -11.716 182 HH22 ARG 24 HH12 ARG 24 65.327 -0.590 -13.253 183 H LYS 25 HN LYS 25 64.021 -6.076 -10.871 184 HA LYS 25 HA LYS 25 63.968 -8.949 -11.023 185 HB2 LYS 25 HB2 LYS 25 64.735 -6.921 -13.147 186 HB3 LYS 25 HB1 LYS 25 64.328 -8.611 -13.442 187 HG2 LYS 25 HG2 LYS 25 62.390 -6.876 -11.941 188 HG3 LYS 25 HG1 LYS 25 62.470 -6.762 -13.700 189 HD2 LYS 25 HD2 LYS 25 62.049 -9.160 -13.909 190 HD3 LYS 25 HD1 LYS 25 62.064 -9.340 -12.154 191 HE2 LYS 25 HE2 LYS 25 60.196 -7.458 -12.283 192 HE3 LYS 25 HE1 LYS 25 59.987 -8.095 -13.914 193 HZ1 LYS 25 HZ1 LYS 25 60.192 -10.043 -11.758 194 HZ2 LYS 25 HZ2 LYS 25 59.223 -10.062 -13.154 195 HZ3 LYS 25 HZ3 LYS 25 58.767 -9.123 -11.813 196 H GLY 26 HN GLY 26 66.586 -6.606 -11.761 197 HA2 GLY 26 HA2 GLY 26 68.562 -8.526 -10.746 198 HA3 GLY 26 HA1 GLY 26 68.660 -8.228 -12.482 199 HA PRO 27 HA PRO 27 71.032 -5.072 -9.620 200 HB2 PRO 27 HB2 PRO 27 73.125 -6.023 -11.543 201 HB3 PRO 27 HB1 PRO 27 73.286 -5.583 -9.832 202 HG2 PRO 27 HG2 PRO 27 73.235 -8.130 -10.636 203 HG3 PRO 27 HG1 PRO 27 72.528 -7.614 -9.096 204 HD2 PRO 27 HD2 PRO 27 71.162 -8.482 -11.584 205 HD3 PRO 27 HD1 PRO 27 70.577 -8.510 -9.907 206 HA PRO 28 HA PRO 28 70.516 -1.652 -12.389 207 HB2 PRO 28 HB2 PRO 28 73.449 -1.128 -12.042 208 HB3 PRO 28 HB1 PRO 28 72.079 -0.008 -11.896 209 HG2 PRO 28 HG2 PRO 28 73.310 -1.017 -9.750 210 HG3 PRO 28 HG1 PRO 28 71.568 -0.697 -9.770 211 HD2 PRO 28 HD2 PRO 28 72.991 -3.300 -9.809 212 HD3 PRO 28 HD1 PRO 28 71.337 -2.926 -9.278 213 H LYS 29 HN LYS 29 71.263 -0.807 -14.536 214 HA LYS 29 HA LYS 29 72.288 -3.023 -16.200 215 HB2 LYS 29 HB2 LYS 29 70.283 -1.696 -16.896 216 HB3 LYS 29 HB1 LYS 29 71.319 -0.275 -17.036 217 HG2 LYS 29 HG2 LYS 29 72.599 -1.262 -18.796 218 HG3 LYS 29 HG1 LYS 29 71.893 -2.853 -18.510 219 HD2 LYS 29 HD2 LYS 29 70.914 -1.678 -20.498 220 HD3 LYS 29 HD1 LYS 29 69.717 -2.082 -19.267 221 HE2 LYS 29 HE2 LYS 29 69.563 0.146 -18.512 222 HE3 LYS 29 HE1 LYS 29 71.092 0.600 -19.263 223 HZ1 LYS 29 HZ1 LYS 29 70.076 1.054 -21.169 224 HZ2 LYS 29 HZ2 LYS 29 68.602 0.941 -20.331 225 HZ3 LYS 29 HZ3 LYS 29 69.215 -0.408 -21.163 226 H1U RCY 30 H1U RCY 30 74.635 4.143 -11.235 227 H1S RCY 30 H1S RCY 30 77.013 2.230 -14.589 228 HB1 RCY 30 HB1 RCY 30 77.213 -0.390 -14.833 229 HB2 RCY 30 HB2 RCY 30 75.471 -0.288 -14.582 230 HA RCY 30 HA RCY 30 76.208 -1.355 -17.221 231 HN1 RCY 30 HN1 RCY 30 74.526 -3.024 -15.659 232 H LYS 31 HN LYS 31 76.031 -3.074 -14.115 233 HA LYS 31 HA LYS 31 77.404 -4.760 -13.229 234 HB2 LYS 31 HB2 LYS 31 78.455 -5.162 -16.036 235 HB3 LYS 31 HB1 LYS 31 78.309 -6.353 -14.749 236 HG2 LYS 31 HG2 LYS 31 76.065 -6.682 -15.115 237 HG3 LYS 31 HG1 LYS 31 75.792 -5.004 -15.584 238 HD2 LYS 31 HD2 LYS 31 76.462 -5.366 -17.786 239 HD3 LYS 31 HD1 LYS 31 77.436 -6.775 -17.364 240 HE2 LYS 31 HE2 LYS 31 74.425 -6.756 -17.093 241 HE3 LYS 31 HE1 LYS 31 75.235 -7.257 -18.578 242 HZ1 LYS 31 HZ1 LYS 31 74.668 -9.024 -16.827 243 HZ2 LYS 31 HZ2 LYS 31 76.010 -8.417 -15.981 244 HZ3 LYS 31 HZ3 LYS 31 76.207 -9.061 -17.541 245 H GLN 32 HN GLN 32 78.575 -2.005 -14.716 246 HA GLN 32 HA GLN 32 81.418 -2.620 -14.072 247 HB2 GLN 32 HB2 GLN 32 80.060 -0.514 -15.750 248 HB3 GLN 32 HB1 GLN 32 81.730 -0.313 -15.220 249 HG2 GLN 32 HG2 GLN 32 82.272 -2.537 -16.225 250 HG3 GLN 32 HG1 GLN 32 80.623 -2.619 -16.849 251 HE21 GLN 32 HE21 GLN 32 83.722 -0.917 -17.175 252 HE22 GLN 32 HE22 GLN 32 83.346 -0.156 -18.645 253 H ARG 33 HN ARG 33 81.848 -2.178 -11.961 254 HA ARG 33 HA ARG 33 80.554 0.170 -10.674 255 HE ARG 33 HE ARG 33 78.462 -4.450 -8.349 256 HB2 ARG 33 HB2 ARG 33 82.443 -1.780 -9.344 257 HB3 ARG 33 HB1 ARG 33 81.196 -0.778 -8.598 258 HG2 ARG 33 HG2 ARG 33 79.519 -2.110 -10.029 259 HG3 ARG 33 HG1 ARG 33 80.839 -3.250 -10.295 260 HD2 ARG 33 HD2 ARG 33 81.107 -3.329 -7.759 261 HD3 ARG 33 HD1 ARG 33 79.571 -2.467 -7.662 262 HH11 ARG 33 HH21 ARG 33 81.883 -4.614 -8.748 263 HH12 ARG 33 HH22 ARG 33 81.895 -6.310 -9.099 264 HH21 ARG 33 HH11 ARG 33 78.458 -6.664 -8.806 265 HH22 ARG 33 HH12 ARG 33 79.955 -7.470 -9.132 266 H GLN 34 HN GLN 34 83.258 -0.525 -12.456 267 HA GLN 34 HA GLN 34 85.320 0.533 -12.765 268 HB2 GLN 34 HB2 GLN 34 84.063 2.870 -11.314 269 HB3 GLN 34 HB1 GLN 34 85.316 2.909 -12.551 270 HG2 GLN 34 HG2 GLN 34 83.530 3.365 -13.919 271 HG3 GLN 34 HG1 GLN 34 83.385 1.607 -13.924 272 HE21 GLN 34 HE21 GLN 34 80.992 2.525 -14.384 273 HE22 GLN 34 HE22 GLN 34 80.015 2.668 -13.004 274 H THR 35 HN THR 35 87.166 1.630 -11.546 275 HA THR 35 HA THR 35 87.141 1.579 -8.648 276 HB THR 35 HB THR 35 88.869 -0.547 -9.919 277 HG1 THR 35 HG1 THR 35 86.264 -0.832 -8.834 278 HG21 THR 35 HG21 THR 35 89.204 0.430 -7.550 279 HG22 THR 35 HG22 THR 35 89.138 -1.326 -7.706 280 HG23 THR 35 HG23 THR 35 87.727 -0.437 -7.131 281 H ARG 36 HN ARG 36 87.881 3.527 -10.515 282 HA ARG 36 HA ARG 36 90.610 4.074 -9.670 283 HE ARG 36 HE ARG 36 91.680 3.688 -14.545 284 HB2 ARG 36 HB2 ARG 36 91.106 2.565 -11.531 285 HB3 ARG 36 HB1 ARG 36 90.053 3.493 -12.597 286 HG2 ARG 36 HG2 ARG 36 92.117 5.096 -11.221 287 HG3 ARG 36 HG1 ARG 36 92.751 3.911 -12.363 288 HD2 ARG 36 HD2 ARG 36 90.453 5.688 -13.148 289 HD3 ARG 36 HD1 ARG 36 92.110 6.283 -13.248 290 HH11 ARG 36 HH21 ARG 36 91.694 7.128 -14.775 291 HH12 ARG 36 HH22 ARG 36 91.936 7.145 -16.490 292 HH21 ARG 36 HH11 ARG 36 91.996 3.690 -16.783 293 HH22 ARG 36 HH12 ARG 36 92.107 5.199 -17.627 294 H GLN 37 HN GLN 37 87.607 4.932 -11.026 295 HA GLN 37 HA GLN 37 88.466 7.658 -11.785 296 HB2 GLN 37 HB2 GLN 37 85.996 7.930 -12.295 297 HB3 GLN 37 HB1 GLN 37 86.808 6.667 -13.222 298 HG2 GLN 37 HG2 GLN 37 85.964 4.953 -11.710 299 HG3 GLN 37 HG1 GLN 37 85.244 6.183 -10.670 300 HE21 GLN 37 HE21 GLN 37 83.028 5.570 -11.009 301 HE22 GLN 37 HE22 GLN 37 82.263 5.705 -12.518 302 H1U RCY 38 H1U RCY 38 84.530 2.726 -6.123 303 H1S RCY 38 H1S RCY 38 83.420 7.177 -6.786 304 HB1 RCY 38 HB1 RCY 38 84.769 8.993 -7.120 305 HB2 RCY 38 HB2 RCY 38 85.865 7.686 -7.569 306 HA RCY 38 HA RCY 38 85.383 10.269 -9.082 307 HN1 RCY 38 HN1 RCY 38 86.113 9.030 -10.935 308 H LYS 39 HN LYS 39 86.885 11.806 -8.559 309 HA LYS 39 HA LYS 39 89.104 10.980 -6.726 310 HB2 LYS 39 HB2 LYS 39 90.515 12.719 -7.798 311 HB3 LYS 39 HB1 LYS 39 90.044 11.461 -8.937 312 HG2 LYS 39 HG2 LYS 39 89.253 13.107 -10.268 313 HG3 LYS 39 HG1 LYS 39 87.968 13.334 -9.081 314 HD2 LYS 39 HD2 LYS 39 88.915 15.479 -9.240 315 HD3 LYS 39 HD1 LYS 39 89.712 14.801 -7.819 316 HE2 LYS 39 HE2 LYS 39 91.479 15.726 -9.101 317 HE3 LYS 39 HE1 LYS 39 91.540 13.998 -9.448 318 HZ1 LYS 39 HZ1 LYS 39 91.513 15.821 -11.346 319 HZ2 LYS 39 HZ2 LYS 39 89.835 15.635 -11.153 320 HZ3 LYS 39 HZ3 LYS 39 90.800 14.294 -11.548 321 H SER 40 HN SER 40 88.535 11.820 -4.787 322 HA SER 40 HA SER 40 88.519 14.536 -4.161 323 HG SER 40 HG SER 40 84.833 13.645 -5.517 324 HB2 SER 40 HB2 SER 40 85.872 14.641 -3.772 325 HB3 SER 40 HB1 SER 40 86.595 15.147 -5.294 326 H LYS 41 HN LYS 41 89.059 14.330 -2.046 327 HA LYS 41 HA LYS 41 88.484 11.989 -0.502 328 HB2 LYS 41 HB2 LYS 41 89.329 14.752 0.412 329 HB3 LYS 41 HB1 LYS 41 89.379 13.296 1.405 330 HG2 LYS 41 HG2 LYS 41 90.867 12.257 -0.363 331 HG3 LYS 41 HG1 LYS 41 90.957 13.848 -1.120 332 HD2 LYS 41 HD2 LYS 41 92.819 13.960 0.249 333 HD3 LYS 41 HD1 LYS 41 91.598 14.600 1.350 334 HE2 LYS 41 HE2 LYS 41 92.889 12.902 2.520 335 HE3 LYS 41 HE1 LYS 41 91.260 12.285 2.241 336 HZ1 LYS 41 HZ1 LYS 41 93.358 10.862 1.655 337 HZ2 LYS 41 HZ2 LYS 41 93.316 11.769 0.218 338 HZ3 LYS 41 HZ3 LYS 41 91.978 10.823 0.668 339 HA PRO 42 HA PRO 42 84.328 13.241 0.675 340 HB2 PRO 42 HB2 PRO 42 83.732 11.123 2.277 341 HB3 PRO 42 HB1 PRO 42 83.795 10.989 0.509 342 HG2 PRO 42 HG2 PRO 42 85.815 10.173 2.533 343 HG3 PRO 42 HG1 PRO 42 85.321 9.361 1.039 344 HD2 PRO 42 HD2 PRO 42 87.615 10.885 1.275 345 HD3 PRO 42 HD1 PRO 42 86.771 10.593 -0.262 346 HA PRO 43 HA PRO 43 84.582 15.363 4.538 347 HB2 PRO 43 HB2 PRO 43 82.204 14.478 5.780 348 HB3 PRO 43 HB1 PRO 43 82.368 15.882 4.712 349 HG2 PRO 43 HG2 PRO 43 81.385 13.158 4.108 350 HG3 PRO 43 HG1 PRO 43 80.901 14.718 3.423 351 HD2 PRO 43 HD2 PRO 43 82.456 12.981 2.042 352 HD3 PRO 43 HD1 PRO 43 82.656 14.742 1.885 353 H LYS 44 HN LYS 44 84.924 15.025 6.869 354 HA LYS 44 HA LYS 44 85.739 13.798 8.693 355 HB2 LYS 44 HB2 LYS 44 83.403 12.584 8.006 356 HB3 LYS 44 HB1 LYS 44 84.521 11.246 7.757 357 HG2 LYS 44 HG2 LYS 44 84.367 12.907 10.292 358 HG3 LYS 44 HG1 LYS 44 83.621 11.321 10.087 359 HD2 LYS 44 HD2 LYS 44 85.878 10.381 9.556 360 HD3 LYS 44 HD1 LYS 44 86.581 11.957 9.920 361 HE2 LYS 44 HE2 LYS 44 85.164 10.065 11.800 362 HE3 LYS 44 HE1 LYS 44 86.791 10.731 11.941 363 HZ1 LYS 44 HZ1 LYS 44 85.719 12.960 12.117 364 HZ2 LYS 44 HZ2 LYS 44 85.404 11.921 13.424 365 HZ3 LYS 44 HZ3 LYS 44 84.219 12.177 12.234 366 H LYS 45 HN LYS 45 87.234 13.945 6.185 367 HA LYS 45 HA LYS 45 88.882 12.755 4.940 368 HB2 LYS 45 HB2 LYS 45 90.614 11.871 6.749 369 HB3 LYS 45 HB1 LYS 45 90.349 13.599 6.527 370 HG2 LYS 45 HG2 LYS 45 88.714 13.597 8.373 371 HG3 LYS 45 HG1 LYS 45 88.960 11.864 8.593 372 HD2 LYS 45 HD2 LYS 45 91.370 12.295 9.053 373 HD3 LYS 45 HD1 LYS 45 91.059 14.027 8.927 374 HE2 LYS 45 HE2 LYS 45 91.034 13.278 11.286 375 HE3 LYS 45 HE1 LYS 45 89.457 13.889 10.789 376 HZ1 LYS 45 HZ1 LYS 45 89.531 11.690 12.039 377 HZ2 LYS 45 HZ2 LYS 45 90.127 11.019 10.597 378 HZ3 LYS 45 HZ3 LYS 45 88.594 11.750 10.626 379 H GLY 46 HN GLY 46 87.547 11.014 4.089 380 HA2 GLY 46 HA2 GLY 46 87.625 8.466 5.622 381 HA3 GLY 46 HA1 GLY 46 86.620 8.775 4.206 382 H VAL 47 HN VAL 47 89.750 9.966 3.746 383 HA VAL 47 HA VAL 47 91.500 9.250 2.367 384 HB VAL 47 HB VAL 47 90.845 7.036 4.145 385 HG11 VAL 47 HG11 VAL 47 91.960 6.343 1.410 386 HG12 VAL 47 HG12 VAL 47 90.427 5.787 2.080 387 HG13 VAL 47 HG13 VAL 47 91.947 5.256 2.799 388 HG21 VAL 47 HG21 VAL 47 92.828 8.466 4.362 389 HG22 VAL 47 HG22 VAL 47 93.399 7.943 2.777 390 HG23 VAL 47 HG23 VAL 47 93.323 6.792 4.111 391 H GLN 48 HN GLN 48 91.897 8.215 0.282 392 HA GLN 48 HA GLN 48 91.261 7.450 -1.839 393 HB2 GLN 48 HB2 GLN 48 90.121 5.644 -0.293 394 HB3 GLN 48 HB1 GLN 48 88.633 6.475 -0.747 395 HG2 GLN 48 HG2 GLN 48 89.378 6.238 -3.168 396 HG3 GLN 48 HG1 GLN 48 90.644 5.157 -2.584 397 HE21 GLN 48 HE21 GLN 48 89.869 3.122 -3.279 398 HE22 GLN 48 HE22 GLN 48 88.352 2.492 -2.850 399 H GLY 49 HN GLY 49 89.795 8.080 -3.582 400 HA2 GLY 49 HA2 GLY 49 88.515 10.671 -3.018 401 HA3 GLY 49 HA1 GLY 49 88.774 9.970 -4.616 402 H1U RCY 50 H1U RCY 50 87.067 4.235 -1.475 403 H1S RCY 50 H1S RCY 50 85.100 7.684 -2.409 404 HB1 RCY 50 HB1 RCY 50 82.971 10.731 -2.727 405 HB2 RCY 50 HB2 RCY 50 84.535 11.055 -1.981 406 HA RCY 50 HA RCY 50 84.564 8.663 -3.678 407 HN1 RCY 50 HN1 RCY 50 86.291 11.112 -3.669 408 H GLY 51 HN GLY 51 85.554 11.377 -5.405 409 HA2 GLY 51 HA2 GLY 51 84.840 12.043 -7.564 410 HA3 GLY 51 HA1 GLY 51 83.481 10.928 -7.424 411 H ASP 52 HN ASP 52 84.268 14.156 -7.530 412 HA ASP 52 HA ASP 52 81.936 14.988 -5.863 413 HB2 ASP 52 HB2 ASP 52 83.956 16.204 -5.333 414 HB3 ASP 52 HB1 ASP 52 84.257 16.546 -7.037 415 H ASP 53 HN ASP 53 83.078 14.727 -9.140 416 HA ASP 53 HA ASP 53 81.114 16.572 -10.260 417 HB2 ASP 53 HB2 ASP 53 81.822 15.523 -12.441 418 HB3 ASP 53 HB1 ASP 53 83.156 16.192 -11.501 419 H ILE 54 HN ILE 54 79.134 15.742 -9.337 420 HA ILE 54 HA ILE 54 78.018 13.503 -10.908 421 HB ILE 54 HB ILE 54 77.017 12.602 -8.673 422 HG12 ILE 54 HG12 ILE 54 79.038 13.003 -6.927 423 HG13 ILE 54 HG11 ILE 54 79.083 14.549 -7.775 424 HG21 ILE 54 HG21 ILE 54 78.951 11.128 -8.365 425 HG22 ILE 54 HG22 ILE 54 79.980 12.265 -9.237 426 HG23 ILE 54 HG23 ILE 54 78.688 11.415 -10.086 427 HD11 ILE 54 HD11 ILE 54 76.446 14.413 -7.422 428 HD12 ILE 54 HD12 ILE 54 77.504 15.044 -6.160 429 HD13 ILE 54 HD13 ILE 54 76.920 13.382 -6.072 430 HA PRO 55 HA PRO 55 74.489 16.172 -10.821 431 HB2 PRO 55 HB2 PRO 55 72.459 14.359 -11.166 432 HB3 PRO 55 HB1 PRO 55 73.557 14.850 -12.470 433 HG2 PRO 55 HG2 PRO 55 73.610 12.396 -10.786 434 HG3 PRO 55 HG1 PRO 55 73.928 12.585 -12.519 435 HD2 PRO 55 HD2 PRO 55 75.930 12.339 -10.673 436 HD3 PRO 55 HD1 PRO 55 76.122 13.259 -12.182 437 H GLY 56 HN GLY 56 74.467 13.365 -8.671 438 HA2 GLY 56 HA2 GLY 56 72.220 14.031 -7.076 439 HA3 GLY 56 HA1 GLY 56 73.612 13.112 -6.501 440 H MET 57 HN MET 57 75.471 14.348 -5.687 441 HA MET 57 HA MET 57 76.438 16.105 -4.463 442 HB2 MET 57 HB2 MET 57 75.430 17.355 -6.610 443 HB3 MET 57 HB1 MET 57 74.359 18.049 -5.396 444 HG2 MET 57 HG2 MET 57 77.361 18.004 -5.038 445 HG3 MET 57 HG1 MET 57 76.538 19.329 -5.862 446 HE1 MET 57 HE1 MET 57 77.162 18.684 -1.512 447 HE2 MET 57 HE2 MET 57 78.279 18.924 -2.853 448 HE3 MET 57 HE3 MET 57 77.337 17.439 -2.755 449 H GLU 58 HN GLU 58 73.151 15.218 -4.230 450 HA GLU 58 HA GLU 58 73.088 16.226 -1.418 451 HB2 GLU 58 HB2 GLU 58 71.688 17.632 -3.047 452 HB3 GLU 58 HB1 GLU 58 70.653 16.213 -3.212 453 HG2 GLU 58 HG2 GLU 58 69.681 17.560 -1.481 454 HG3 GLU 58 HG1 GLU 58 70.463 16.200 -0.675 455 H GLY 59 HN GLY 59 71.905 14.865 0.022 456 HA2 GLY 59 HA2 GLY 59 71.831 12.062 -0.791 457 HA3 GLY 59 HA1 GLY 59 71.425 12.686 0.809 458 H1U RCY 60 H1U RCY 60 71.353 9.891 0.672 459 H1S RCY 60 H1S RCY 60 70.318 10.779 -3.964 460 HB1 RCY 60 HB1 RCY 60 66.531 12.236 -2.870 461 HB2 RCY 60 HB2 RCY 60 67.798 11.391 -1.981 462 HA RCY 60 HA RCY 60 67.589 14.395 -2.357 463 HN1 RCY 60 HN1 RCY 60 69.864 14.279 -1.788 464 H GLY 61 HN GLY 61 68.102 14.927 0.352 465 HA2 GLY 61 HA2 GLY 61 66.592 15.359 2.155 466 HA3 GLY 61 HA1 GLY 61 65.513 14.120 1.517 467 H THR 62 HN THR 62 68.974 13.960 2.430 468 HA THR 62 HA THR 62 68.317 12.235 4.724 469 HB THR 62 HB THR 62 69.809 10.388 3.856 470 HG1 THR 62 HG1 THR 62 70.779 10.747 2.051 471 HG21 THR 62 HG21 THR 62 68.064 9.336 2.608 472 HG22 THR 62 HG22 THR 62 67.422 10.888 2.070 473 HG23 THR 62 HG23 THR 62 67.262 10.406 3.759 474 H ASP 63 HN ASP 63 69.416 14.210 5.624 475 HA ASP 63 HA ASP 63 72.185 14.750 5.036 476 HB2 ASP 63 HB2 ASP 63 70.723 16.410 6.129 477 HB3 ASP 63 HB1 ASP 63 70.577 15.358 7.537 478 H ILE 64 HN ILE 64 70.658 12.222 6.728 479 HA ILE 64 HA ILE 64 72.750 11.695 8.670 480 HB ILE 64 HB ILE 64 70.558 9.935 7.560 481 HG12 ILE 64 HG12 ILE 64 70.152 12.096 9.035 482 HG13 ILE 64 HG11 ILE 64 69.273 10.606 9.383 483 HG21 ILE 64 HG21 ILE 64 72.175 8.425 8.383 484 HG22 ILE 64 HG22 ILE 64 71.094 8.663 9.757 485 HG23 ILE 64 HG23 ILE 64 72.643 9.505 9.697 486 HD11 ILE 64 HD11 ILE 64 70.672 10.067 11.209 487 HD12 ILE 64 HD12 ILE 64 70.424 11.806 11.367 488 HD13 ILE 64 HD13 ILE 64 71.930 11.188 10.688 489 H THR 65 HN THR 65 72.707 11.460 5.363 490 HA THR 65 HA THR 65 73.665 9.537 4.044 491 HB THR 65 HB THR 65 75.917 11.356 4.893 492 HG1 THR 65 HG1 THR 65 74.935 12.972 3.969 493 HG21 THR 65 HG21 THR 65 75.152 10.288 2.167 494 HG22 THR 65 HG22 THR 65 76.269 9.455 3.248 495 HG23 THR 65 HG23 THR 65 76.668 11.060 2.634 496 H VAL 66 HN VAL 66 76.031 10.428 6.576 497 HA VAL 66 HA VAL 66 77.711 8.336 6.673 498 HB VAL 66 HB VAL 66 76.330 8.966 9.271 499 HG11 VAL 66 HG11 VAL 66 79.276 8.950 8.617 500 HG12 VAL 66 HG12 VAL 66 78.405 7.454 8.954 501 HG13 VAL 66 HG13 VAL 66 78.499 8.716 10.183 502 HG21 VAL 66 HG21 VAL 66 77.963 10.838 7.545 503 HG22 VAL 66 HG22 VAL 66 77.819 11.056 9.289 504 HG23 VAL 66 HG23 VAL 66 76.382 11.132 8.269 505 H ILE 67 HN ILE 67 74.853 7.983 8.804 506 HA ILE 67 HA ILE 67 74.511 5.225 7.708 507 HB ILE 67 HB ILE 67 74.559 5.903 10.661 508 HG12 ILE 67 HG12 ILE 67 76.483 4.236 9.010 509 HG13 ILE 67 HG11 ILE 67 76.803 5.889 9.537 510 HG21 ILE 67 HG21 ILE 67 74.418 3.412 10.892 511 HG22 ILE 67 HG22 ILE 67 74.164 3.303 9.151 512 HG23 ILE 67 HG23 ILE 67 72.977 4.121 10.165 513 HD11 ILE 67 HD11 ILE 67 76.479 5.149 11.903 514 HD12 ILE 67 HD12 ILE 67 77.835 4.344 11.113 515 HD13 ILE 67 HD13 ILE 67 76.306 3.492 11.326 516 H1U RCY 68 H1U RCY 68 74.345 2.400 2.888 517 H1S RCY 68 H1S RCY 68 73.452 5.921 5.308 518 HB1 RCY 68 HB1 RCY 68 69.787 8.054 6.353 519 HB2 RCY 68 HB2 RCY 68 69.618 6.466 5.605 520 HA RCY 68 HA RCY 68 70.424 7.100 8.300 521 HN1 RCY 68 HN1 RCY 68 72.626 6.043 6.641 522 HA PRO 69 HA PRO 69 68.160 3.439 9.140 523 HB2 PRO 69 HB2 PRO 69 65.822 3.972 7.557 524 HB3 PRO 69 HB1 PRO 69 66.034 4.221 9.298 525 HG2 PRO 69 HG2 PRO 69 66.182 6.154 7.097 526 HG3 PRO 69 HG1 PRO 69 65.840 6.413 8.814 527 HD2 PRO 69 HD2 PRO 69 68.193 7.168 7.664 528 HD3 PRO 69 HD1 PRO 69 68.085 6.653 9.364 529 H TRP 70 HN TRP 70 68.384 4.420 5.760 530 HA TRP 70 HA TRP 70 67.581 1.938 4.579 531 HD1 TRP 70 HD1 TRP 70 66.842 1.833 1.897 532 HE1 TRP 70 HE1 TRP 70 64.732 3.121 1.170 533 HE3 TRP 70 HE3 TRP 70 67.833 6.393 3.972 534 HZ2 TRP 70 HZ2 TRP 70 63.610 5.743 1.433 535 HZ3 TRP 70 HZ3 TRP 70 66.232 8.263 3.719 536 HH2 TRP 70 HH2 TRP 70 64.124 7.948 2.455 537 HB2 TRP 70 HB2 TRP 70 69.204 4.299 3.693 538 HB3 TRP 70 HB1 TRP 70 69.281 2.828 2.725 539 H GLU 71 HN GLU 71 70.522 2.976 6.138 540 HA GLU 71 HA GLU 71 72.124 0.763 5.082 541 HB2 GLU 71 HB2 GLU 71 72.646 2.708 7.352 542 HB3 GLU 71 HB1 GLU 71 73.824 1.565 6.705 543 HG2 GLU 71 HG2 GLU 71 73.319 2.661 4.410 544 HG3 GLU 71 HG1 GLU 71 72.606 3.970 5.354 545 H ALA 72 HN ALA 72 69.616 0.821 7.184 546 HA ALA 72 HA ALA 72 70.697 -0.844 9.318 547 HB1 ALA 72 HB1 ALA 72 68.386 -1.037 10.058 548 HB2 ALA 72 HB2 ALA 72 67.804 -0.429 8.509 549 HB3 ALA 72 HB3 ALA 72 68.692 0.638 9.597 550 H1U RCY 73 H1U RCY 73 74.578 0.108 0.856 551 H1S RCY 73 H1S RCY 73 72.821 -1.835 4.696 552 HB1 RCY 73 HB1 RCY 73 70.988 -2.757 4.448 553 HB2 RCY 73 HB2 RCY 73 70.703 -4.482 4.229 554 HA RCY 73 HA RCY 73 69.365 -4.018 6.086 555 HN1 RCY 73 HN1 RCY 73 71.192 -1.815 6.608 556 H ASN 74 HN ASN 74 72.435 -3.626 7.782 557 HA ASN 74 HA ASN 74 73.552 -5.076 9.244 558 HB2 ASN 74 HB2 ASN 74 71.041 -5.325 9.992 559 HB3 ASN 74 HB1 ASN 74 71.162 -6.908 9.226 560 HD21 ASN 74 HD21 ASN 74 70.799 -7.417 11.734 561 HD22 ASN 74 HD22 ASN 74 72.221 -7.643 12.634 562 H HIS 75 HN HIS 75 71.496 -7.385 7.436 563 HA HIS 75 HA HIS 75 73.778 -9.115 6.931 564 HD1 HIS 75 HD1 HIS 75 73.760 -11.016 7.702 565 HD2 HIS 75 HD2 HIS 75 69.607 -10.722 7.953 566 HE1 HIS 75 HE1 HIS 75 73.058 -12.455 9.665 567 HE2 HIS 75 HE2 HIS 75 70.532 -12.285 9.828 568 HB2 HIS 75 HB2 HIS 75 70.884 -9.107 6.088 569 HB3 HIS 75 HB1 HIS 75 72.024 -10.221 5.333 570 H1U RCY 76 H1U RCY 76 68.642 -5.150 2.785 571 H1S RCY 76 H1S RCY 76 72.613 -6.652 2.122 572 HB1 RCY 76 HB1 RCY 76 76.412 -7.312 2.716 573 HB2 RCY 76 HB2 RCY 76 75.587 -6.965 4.233 574 HA RCY 76 HA RCY 76 73.718 -8.136 2.370 575 HN1 RCY 76 HN1 RCY 76 74.289 -9.783 4.604 576 H GLU 77 HN GLU 77 73.827 -10.051 1.200 577 HA GLU 77 HA GLU 77 75.750 -12.094 1.428 578 HB2 GLU 77 HB2 GLU 77 74.497 -11.179 -1.176 579 HB3 GLU 77 HB1 GLU 77 75.070 -12.799 -0.778 580 HG2 GLU 77 HG2 GLU 77 72.760 -11.351 0.552 581 HG3 GLU 77 HG1 GLU 77 72.627 -12.705 -0.571 582 H LEU 78 HN LEU 78 77.772 -10.934 1.807 583 HA LEU 78 HA LEU 78 79.385 -10.679 -0.553 584 HG LEU 78 HG LEU 78 78.625 -9.219 -2.081 585 HB2 LEU 78 HB2 LEU 78 77.920 -8.323 0.226 586 HB3 LEU 78 HB1 LEU 78 79.633 -8.033 0.511 587 HD11 LEU 78 HD11 LEU 78 78.778 -6.925 -3.018 588 HD12 LEU 78 HD12 LEU 78 79.077 -6.298 -1.397 589 HD13 LEU 78 HD13 LEU 78 77.526 -7.044 -1.782 590 HD21 LEU 78 HD21 LEU 78 80.783 -8.543 -2.916 591 HD22 LEU 78 HD22 LEU 78 81.061 -9.385 -1.392 592 HD23 LEU 78 HD23 LEU 78 81.123 -7.623 -1.450 593 H HIS 79 HN HIS 79 81.417 -11.177 0.118 594 HA HIS 79 HA HIS 79 82.343 -10.255 2.783 595 HD1 HIS 79 HD1 HIS 79 84.719 -11.031 3.127 596 HD2 HIS 79 HD2 HIS 79 82.731 -14.115 5.110 597 HE1 HIS 79 HE1 HIS 79 86.156 -11.642 5.121 598 HE2 HIS 79 HE2 HIS 79 84.957 -13.518 6.337 599 HB2 HIS 79 HB2 HIS 79 81.328 -12.518 3.108 600 HB3 HIS 79 HB1 HIS 79 82.464 -13.162 1.923 601 H GLU 80 HN GLU 80 83.817 -8.932 1.580 602 HA GLU 80 HA GLU 80 86.153 -10.446 0.551 603 HB2 GLU 80 HB2 GLU 80 86.244 -8.741 -1.379 604 HB3 GLU 80 HB1 GLU 80 85.045 -10.026 -1.505 605 HG2 GLU 80 HG2 GLU 80 83.301 -8.535 -0.668 606 HG3 GLU 80 HG1 GLU 80 84.484 -7.252 -0.416 607 H LEU 81 HN LEU 81 86.339 -7.258 -0.409 608 HA LEU 81 HA LEU 81 88.343 -6.617 1.545 609 HG LEU 81 HG LEU 81 85.603 -5.179 -0.182 610 HB2 LEU 81 HB2 LEU 81 88.068 -4.259 0.593 611 HB3 LEU 81 HB1 LEU 81 88.514 -5.514 -0.560 612 HD11 LEU 81 HD11 LEU 81 86.066 -2.848 -0.079 613 HD12 LEU 81 HD12 LEU 81 85.670 -3.158 -1.769 614 HD13 LEU 81 HD13 LEU 81 87.353 -2.972 -1.278 615 HD21 LEU 81 HD21 LEU 81 85.576 -5.601 -2.527 616 HD22 LEU 81 HD22 LEU 81 86.882 -6.606 -1.898 617 HD23 LEU 81 HD23 LEU 81 87.253 -5.088 -2.715 618 H ALA 82 HN ALA 82 84.881 -6.120 1.418 619 HA ALA 82 HA ALA 82 84.637 -4.045 3.351 620 HB1 ALA 82 HB1 ALA 82 82.351 -4.771 3.608 621 HB2 ALA 82 HB2 ALA 82 82.738 -6.381 3.002 622 HB3 ALA 82 HB3 ALA 82 82.780 -4.995 1.913 623 H GLN 83 HN GLN 83 84.707 -7.585 3.747 624 HA GLN 83 HA GLN 83 85.211 -8.905 5.603 625 HB2 GLN 83 HB2 GLN 83 87.319 -7.679 5.603 626 HB3 GLN 83 HB1 GLN 83 86.580 -6.349 6.492 627 HG2 GLN 83 HG2 GLN 83 87.889 -7.906 7.957 628 HG3 GLN 83 HG1 GLN 83 86.191 -7.782 8.417 629 HE21 GLN 83 HE21 GLN 83 85.228 -9.778 8.785 630 HE22 GLN 83 HE22 GLN 83 85.690 -11.237 8.051 631 H TYR 84 HN TYR 84 83.581 -5.858 6.126 632 HA TYR 84 HA TYR 84 82.177 -7.117 8.440 633 HD1 TYR 84 HD1 TYR 84 82.908 -6.974 10.859 634 HD2 TYR 84 HD2 TYR 84 81.033 -3.314 9.620 635 HE1 TYR 84 HE1 TYR 84 81.526 -6.985 12.918 636 HE2 TYR 84 HE2 TYR 84 79.651 -3.325 11.679 637 HH TYR 84 HH TYR 84 79.244 -5.989 13.604 638 HB2 TYR 84 HB2 TYR 84 83.930 -5.341 9.108 639 HB3 TYR 84 HB1 TYR 84 82.834 -4.168 8.380 640 H GLY 85 HN GLY 85 81.886 -3.929 6.856 641 HA2 GLY 85 HA2 GLY 85 79.594 -4.652 5.278 642 HA3 GLY 85 HA1 GLY 85 79.074 -3.905 6.789 643 H ILE 86 HN ILE 86 81.558 -2.214 6.854 644 HA ILE 86 HA ILE 86 80.547 -0.117 5.011 645 HB ILE 86 HB ILE 86 80.858 0.425 7.418 646 HG12 ILE 86 HG12 ILE 86 81.507 1.959 5.258 647 HG13 ILE 86 HG11 ILE 86 81.530 2.553 6.919 648 HG21 ILE 86 HG21 ILE 86 83.727 -0.288 6.769 649 HG22 ILE 86 HG22 ILE 86 82.697 -0.995 8.013 650 HG23 ILE 86 HG23 ILE 86 83.274 0.662 8.184 651 HD11 ILE 86 HD11 ILE 86 83.949 1.183 5.767 652 HD12 ILE 86 HD12 ILE 86 83.859 2.331 7.103 653 HD13 ILE 86 HD13 ILE 86 83.656 2.891 5.443 654 H1U RCY 87 H1U RCY 87 77.677 3.786 0.268 655 H1S RCY 87 H1S RCY 87 81.371 1.452 2.173 656 HB1 RCY 87 HB1 RCY 87 83.075 1.037 1.025 657 HB2 RCY 87 HB2 RCY 87 84.698 1.671 1.295 658 HA RCY 87 HA RCY 87 84.059 -0.583 2.427 659 HN1 RCY 87 HN1 RCY 87 82.227 1.205 3.834 Start of MODEL 71 1 HA MET 1 HA MET 1 56.338 -9.450 25.160 2 HB2 MET 1 HB2 MET 1 54.651 -10.785 23.034 3 HB3 MET 1 HB1 MET 1 56.236 -11.404 23.501 4 HG2 MET 1 HG2 MET 1 54.516 -12.549 24.800 5 HG3 MET 1 HG1 MET 1 55.455 -11.508 25.870 6 HE1 MET 1 HE1 MET 1 53.017 -12.491 27.044 7 HE2 MET 1 HE2 MET 1 52.194 -12.808 25.519 8 HE3 MET 1 HE3 MET 1 51.457 -11.732 26.703 9 H ASN 2 HN ASN 2 57.252 -7.311 24.257 10 HA ASN 2 HA ASN 2 57.860 -7.251 21.404 11 HB2 ASN 2 HB2 ASN 2 57.673 -5.279 23.176 12 HB3 ASN 2 HB1 ASN 2 59.388 -5.617 23.406 13 HD21 ASN 2 HD21 ASN 2 57.880 -3.307 21.984 14 HD22 ASN 2 HD22 ASN 2 58.630 -3.217 20.464 15 H LEU 3 HN LEU 3 60.471 -6.672 21.124 16 HA LEU 3 HA LEU 3 62.287 -8.300 22.639 17 HG LEU 3 HG LEU 3 62.155 -10.543 22.839 18 HB2 LEU 3 HB2 LEU 3 60.689 -9.798 20.920 19 HB3 LEU 3 HB1 LEU 3 62.153 -9.551 19.974 20 HD11 LEU 3 HD11 LEU 3 61.046 -12.189 21.404 21 HD12 LEU 3 HD12 LEU 3 62.658 -12.764 21.833 22 HD13 LEU 3 HD13 LEU 3 62.361 -12.083 20.233 23 HD21 LEU 3 HD21 LEU 3 64.481 -11.122 22.343 24 HD22 LEU 3 HD22 LEU 3 64.219 -9.410 22.010 25 HD23 LEU 3 HD23 LEU 3 64.289 -10.566 20.681 26 H GLU 4 HN GLU 4 63.927 -8.944 20.237 27 HA GLU 4 HA GLU 4 65.506 -6.645 20.040 28 HB2 GLU 4 HB2 GLU 4 65.136 -9.105 18.422 29 HB3 GLU 4 HB1 GLU 4 65.876 -7.757 17.562 30 HG2 GLU 4 HG2 GLU 4 67.547 -7.533 19.385 31 HG3 GLU 4 HG1 GLU 4 66.828 -8.926 20.194 32 HA PRO 5 HA PRO 5 63.741 -3.393 17.672 33 HB2 PRO 5 HB2 PRO 5 65.517 -4.306 15.423 34 HB3 PRO 5 HB1 PRO 5 65.209 -2.659 16.008 35 HG2 PRO 5 HG2 PRO 5 67.413 -4.051 16.681 36 HG3 PRO 5 HG1 PRO 5 66.659 -2.867 17.760 37 HD2 PRO 5 HD2 PRO 5 66.803 -5.781 18.053 38 HD3 PRO 5 HD1 PRO 5 66.322 -4.560 19.251 39 HA PRO 6 HA PRO 6 60.544 -5.318 15.282 40 HB2 PRO 6 HB2 PRO 6 59.706 -3.208 13.732 41 HB3 PRO 6 HB1 PRO 6 59.323 -3.375 15.456 42 HG2 PRO 6 HG2 PRO 6 61.411 -1.712 14.141 43 HG3 PRO 6 HG1 PRO 6 60.365 -1.332 15.520 44 HD2 PRO 6 HD2 PRO 6 62.978 -2.070 15.819 45 HD3 PRO 6 HD1 PRO 6 61.733 -2.429 17.037 46 H LYS 7 HN LYS 7 60.607 -6.621 13.508 47 HA LYS 7 HA LYS 7 62.313 -5.779 11.191 48 HB2 LYS 7 HB2 LYS 7 61.641 -8.629 11.958 49 HB3 LYS 7 HB1 LYS 7 62.878 -8.074 10.830 50 HG2 LYS 7 HG2 LYS 7 63.888 -6.829 12.865 51 HG3 LYS 7 HG1 LYS 7 62.864 -7.883 13.840 52 HD2 LYS 7 HD2 LYS 7 63.882 -9.825 12.479 53 HD3 LYS 7 HD1 LYS 7 65.106 -8.659 11.975 54 HE2 LYS 7 HE2 LYS 7 66.074 -9.612 13.888 55 HE3 LYS 7 HE1 LYS 7 65.322 -8.151 14.528 56 HZ1 LYS 7 HZ1 LYS 7 64.651 -10.922 14.981 57 HZ2 LYS 7 HZ2 LYS 7 63.312 -9.925 14.663 58 HZ3 LYS 7 HZ3 LYS 7 64.359 -9.561 15.951 59 H ALA 8 HN ALA 8 60.901 -8.546 10.274 60 HA ALA 8 HA ALA 8 58.188 -8.160 9.841 61 HB1 ALA 8 HB1 ALA 8 58.243 -6.129 8.742 62 HB2 ALA 8 HB2 ALA 8 58.501 -7.184 7.353 63 HB3 ALA 8 HB3 ALA 8 59.875 -6.392 8.126 64 H GLU 9 HN GLU 9 61.116 -9.585 9.172 65 HA GLU 9 HA GLU 9 61.658 -11.608 8.114 66 HB2 GLU 9 HB2 GLU 9 59.258 -12.144 9.031 67 HB3 GLU 9 HB1 GLU 9 58.768 -11.974 7.345 68 HG2 GLU 9 HG2 GLU 9 59.274 -14.291 7.651 69 HG3 GLU 9 HG1 GLU 9 60.642 -13.607 6.771 70 H1U RCY 10 H1U RCY 10 61.316 -8.116 -1.111 71 H1S RCY 10 H1S RCY 10 61.725 -11.485 2.359 72 HB1 RCY 10 HB1 RCY 10 58.484 -10.384 2.624 73 HB2 RCY 10 HB2 RCY 10 58.014 -11.163 4.135 74 HA RCY 10 HA RCY 10 60.787 -10.047 3.896 75 HN1 RCY 10 HN1 RCY 10 58.952 -10.170 6.256 76 H ARG 11 HN ARG 11 59.079 -8.716 2.161 77 HA ARG 11 HA ARG 11 58.386 -6.205 3.642 78 HE ARG 11 HE ARG 11 60.611 -3.260 3.259 79 HB2 ARG 11 HB2 ARG 11 59.542 -6.267 0.846 80 HB3 ARG 11 HB1 ARG 11 59.356 -4.875 1.909 81 HG2 ARG 11 HG2 ARG 11 61.062 -7.220 2.733 82 HG3 ARG 11 HG1 ARG 11 61.717 -5.945 1.704 83 HD2 ARG 11 HD2 ARG 11 60.321 -5.362 4.323 84 HD3 ARG 11 HD1 ARG 11 62.062 -5.625 4.212 85 HH11 ARG 11 HH21 ARG 11 63.426 -5.245 3.113 86 HH12 ARG 11 HH22 ARG 11 64.448 -3.981 2.514 87 HH21 ARG 11 HH11 ARG 11 61.929 -1.598 2.478 88 HH22 ARG 11 HH12 ARG 11 63.601 -1.917 2.155 89 H SER 12 HN SER 12 56.524 -5.146 2.916 90 HA SER 12 HA SER 12 54.417 -6.630 1.838 91 HG SER 12 HG SER 12 53.623 -5.453 3.419 92 HB2 SER 12 HB2 SER 12 54.945 -3.653 1.737 93 HB3 SER 12 HB1 SER 12 53.431 -4.373 1.197 94 H ALA 13 HN ALA 13 54.394 -7.655 -0.102 95 HA ALA 13 HA ALA 13 54.746 -8.068 -2.388 96 HB1 ALA 13 HB1 ALA 13 54.534 -5.059 -2.649 97 HB2 ALA 13 HB2 ALA 13 53.133 -6.103 -2.408 98 HB3 ALA 13 HB3 ALA 13 54.121 -6.275 -3.859 99 H THR 14 HN THR 14 57.032 -8.618 -1.804 100 HA THR 14 HA THR 14 59.065 -6.560 -2.326 101 HB THR 14 HB THR 14 59.611 -9.516 -2.061 102 HG1 THR 14 HG1 THR 14 58.204 -8.908 -0.377 103 HG21 THR 14 HG21 THR 14 61.654 -8.649 -0.949 104 HG22 THR 14 HG22 THR 14 61.087 -7.003 -1.226 105 HG23 THR 14 HG23 THR 14 61.490 -8.038 -2.595 106 H ARG 15 HN ARG 15 57.277 -7.115 -4.523 107 HA ARG 15 HA ARG 15 58.496 -8.902 -6.422 108 HE ARG 15 HE ARG 15 54.858 -10.503 -9.323 109 HB2 ARG 15 HB2 ARG 15 56.109 -7.765 -6.388 110 HB3 ARG 15 HB1 ARG 15 56.926 -6.489 -7.285 111 HG2 ARG 15 HG2 ARG 15 56.169 -7.909 -8.996 112 HG3 ARG 15 HG1 ARG 15 57.835 -8.440 -8.764 113 HD2 ARG 15 HD2 ARG 15 57.186 -10.367 -7.576 114 HD3 ARG 15 HD1 ARG 15 55.586 -9.718 -7.218 115 HH11 ARG 15 HH21 ARG 15 58.295 -10.381 -9.088 116 HH12 ARG 15 HH22 ARG 15 58.560 -11.184 -10.599 117 HH21 ARG 15 HH11 ARG 15 55.184 -11.553 -11.298 118 HH22 ARG 15 HH12 ARG 15 56.799 -11.848 -11.851 119 H VAL 16 HN VAL 16 58.449 -6.754 -8.589 120 HA VAL 16 HA VAL 16 60.796 -5.106 -7.906 121 HB VAL 16 HB VAL 16 62.008 -6.000 -9.978 122 HG11 VAL 16 HG11 VAL 16 61.625 -7.999 -7.733 123 HG12 VAL 16 HG12 VAL 16 62.582 -6.527 -7.568 124 HG13 VAL 16 HG13 VAL 16 63.065 -7.767 -8.725 125 HG21 VAL 16 HG21 VAL 16 60.053 -8.280 -9.532 126 HG22 VAL 16 HG22 VAL 16 61.406 -8.289 -10.663 127 HG23 VAL 16 HG23 VAL 16 60.048 -7.194 -10.921 128 H MET 17 HN MET 17 60.741 -3.209 -9.059 129 HA MET 17 HA MET 17 58.456 -2.516 -10.603 130 HB2 MET 17 HB2 MET 17 60.070 -0.611 -11.420 131 HB3 MET 17 HB1 MET 17 59.600 -0.672 -9.721 132 HG2 MET 17 HG2 MET 17 61.668 -1.640 -9.069 133 HG3 MET 17 HG1 MET 17 62.083 -2.067 -10.729 134 HE1 MET 17 HE1 MET 17 63.538 -0.873 -12.106 135 HE2 MET 17 HE2 MET 17 64.446 -1.026 -10.604 136 HE3 MET 17 HE3 MET 17 64.504 0.483 -11.511 137 H GLY 18 HN GLY 18 61.362 -1.781 -12.311 138 HA2 GLY 18 HA2 GLY 18 62.304 -3.115 -14.165 139 HA3 GLY 18 HA1 GLY 18 60.710 -3.840 -14.378 140 H GLY 19 HN GLY 19 59.829 -0.834 -13.773 141 HA2 GLY 19 HA2 GLY 19 59.530 -0.177 -16.614 142 HA3 GLY 19 HA1 GLY 19 58.862 0.742 -15.262 143 HA PRO 20 HA PRO 20 62.887 2.549 -17.428 144 HB2 PRO 20 HB2 PRO 20 60.858 4.749 -17.631 145 HB3 PRO 20 HB1 PRO 20 62.168 4.321 -18.748 146 HG2 PRO 20 HG2 PRO 20 59.619 3.657 -19.226 147 HG3 PRO 20 HG1 PRO 20 60.972 2.626 -19.716 148 HD2 PRO 20 HD2 PRO 20 58.974 2.185 -17.578 149 HD3 PRO 20 HD1 PRO 20 60.002 1.006 -18.420 150 H1U RCY 21 H1U RCY 21 66.394 2.854 -6.946 151 H1S RCY 21 H1S RCY 21 64.804 2.711 -11.084 152 HB1 RCY 21 HB1 RCY 21 65.870 4.642 -13.980 153 HB2 RCY 21 HB2 RCY 21 64.689 3.342 -13.826 154 HA RCY 21 HA RCY 21 62.985 5.413 -13.924 155 HN1 RCY 21 HN1 RCY 21 64.094 4.350 -16.479 156 H THR 22 HN THR 22 63.455 7.560 -13.635 157 HA THR 22 HA THR 22 65.279 8.830 -15.638 158 HB THR 22 HB THR 22 63.203 9.839 -15.965 159 HG1 THR 22 HG1 THR 22 64.016 11.442 -13.810 160 HG21 THR 22 HG21 THR 22 61.905 8.761 -14.283 161 HG22 THR 22 HG22 THR 22 61.752 10.488 -13.961 162 HG23 THR 22 HG23 THR 22 62.840 9.502 -12.984 163 HA PRO 23 HA PRO 23 67.870 9.057 -11.847 164 HB2 PRO 23 HB2 PRO 23 69.458 10.616 -13.859 165 HB3 PRO 23 HB1 PRO 23 70.004 9.387 -12.700 166 HG2 PRO 23 HG2 PRO 23 69.702 8.816 -15.279 167 HG3 PRO 23 HG1 PRO 23 69.289 7.638 -14.022 168 HD2 PRO 23 HD2 PRO 23 67.473 9.246 -15.759 169 HD3 PRO 23 HD1 PRO 23 67.210 7.650 -15.021 170 H ARG 24 HN ARG 24 69.055 11.101 -10.877 171 HA ARG 24 HA ARG 24 67.152 13.393 -11.095 172 HE ARG 24 HE ARG 24 65.948 10.941 -8.978 173 HB2 ARG 24 HB2 ARG 24 68.007 11.984 -8.869 174 HB3 ARG 24 HB1 ARG 24 69.048 13.402 -8.842 175 HG2 ARG 24 HG2 ARG 24 67.126 14.072 -7.628 176 HG3 ARG 24 HG1 ARG 24 66.888 14.766 -9.232 177 HD2 ARG 24 HD2 ARG 24 64.875 13.546 -8.230 178 HD3 ARG 24 HD1 ARG 24 65.350 13.051 -9.855 179 HH11 ARG 24 HH21 ARG 24 65.601 13.332 -6.519 180 HH12 ARG 24 HH22 ARG 24 65.757 12.204 -5.214 181 HH21 ARG 24 HH11 ARG 24 66.153 9.454 -7.288 182 HH22 ARG 24 HH12 ARG 24 66.069 10.008 -5.650 183 H LYS 25 HN LYS 25 70.573 13.057 -10.134 184 HA LYS 25 HA LYS 25 71.434 15.616 -10.789 185 HB2 LYS 25 HB2 LYS 25 72.686 13.341 -9.945 186 HB3 LYS 25 HB1 LYS 25 73.309 13.452 -11.588 187 HG2 LYS 25 HG2 LYS 25 74.852 14.748 -10.394 188 HG3 LYS 25 HG1 LYS 25 73.724 15.969 -10.984 189 HD2 LYS 25 HD2 LYS 25 72.596 16.078 -8.873 190 HD3 LYS 25 HD1 LYS 25 73.431 14.642 -8.281 191 HE2 LYS 25 HE2 LYS 25 74.972 17.092 -9.125 192 HE3 LYS 25 HE1 LYS 25 74.304 16.956 -7.498 193 HZ1 LYS 25 HZ1 LYS 25 75.634 14.566 -8.276 194 HZ2 LYS 25 HZ2 LYS 25 75.903 15.556 -6.921 195 HZ3 LYS 25 HZ3 LYS 25 76.675 15.900 -8.395 196 H GLY 26 HN GLY 26 72.142 12.890 -12.994 197 HA2 GLY 26 HA2 GLY 26 71.020 13.212 -15.321 198 HA3 GLY 26 HA1 GLY 26 71.801 14.794 -15.269 199 HA PRO 27 HA PRO 27 75.742 13.571 -16.765 200 HB2 PRO 27 HB2 PRO 27 76.810 13.593 -13.961 201 HB3 PRO 27 HB1 PRO 27 77.487 14.328 -15.428 202 HG2 PRO 27 HG2 PRO 27 76.193 15.779 -13.602 203 HG3 PRO 27 HG1 PRO 27 76.078 16.137 -15.333 204 HD2 PRO 27 HD2 PRO 27 74.029 14.984 -13.524 205 HD3 PRO 27 HD1 PRO 27 73.818 15.854 -15.059 206 HA PRO 28 HA PRO 28 75.283 9.080 -16.308 207 HB2 PRO 28 HB2 PRO 28 77.978 9.241 -17.620 208 HB3 PRO 28 HB1 PRO 28 76.595 8.198 -18.012 209 HG2 PRO 28 HG2 PRO 28 77.166 10.361 -19.460 210 HG3 PRO 28 HG1 PRO 28 75.494 9.865 -19.152 211 HD2 PRO 28 HD2 PRO 28 76.999 12.171 -18.032 212 HD3 PRO 28 HD1 PRO 28 75.247 11.963 -18.245 213 H LYS 29 HN LYS 29 75.972 7.689 -14.697 214 HA LYS 29 HA LYS 29 77.125 6.988 -12.778 215 HB2 LYS 29 HB2 LYS 29 79.571 8.149 -14.131 216 HB3 LYS 29 HB1 LYS 29 79.497 6.791 -13.007 217 HG2 LYS 29 HG2 LYS 29 78.002 5.636 -14.742 218 HG3 LYS 29 HG1 LYS 29 78.515 6.897 -15.864 219 HD2 LYS 29 HD2 LYS 29 80.918 6.274 -15.234 220 HD3 LYS 29 HD1 LYS 29 80.235 4.838 -14.471 221 HE2 LYS 29 HE2 LYS 29 79.180 4.203 -16.614 222 HE3 LYS 29 HE1 LYS 29 79.881 5.630 -17.377 223 HZ1 LYS 29 HZ1 LYS 29 81.052 3.171 -17.160 224 HZ2 LYS 29 HZ2 LYS 29 81.835 4.099 -15.972 225 HZ3 LYS 29 HZ3 LYS 29 81.829 4.616 -17.590 226 H1U RCY 30 H1U RCY 30 74.140 11.131 -5.476 227 H1S RCY 30 H1S RCY 30 76.603 8.582 -8.102 228 HB1 RCY 30 HB1 RCY 30 75.793 9.981 -10.010 229 HB2 RCY 30 HB2 RCY 30 76.385 11.538 -9.432 230 HA RCY 30 HA RCY 30 76.250 11.820 -11.773 231 HN1 RCY 30 HN1 RCY 30 76.056 9.758 -12.903 232 H LYS 31 HN LYS 31 78.078 12.775 -9.913 233 HA LYS 31 HA LYS 31 80.331 13.410 -11.631 234 HB2 LYS 31 HB2 LYS 31 79.899 14.009 -8.687 235 HB3 LYS 31 HB1 LYS 31 81.126 14.746 -9.715 236 HG2 LYS 31 HG2 LYS 31 78.247 14.871 -10.559 237 HG3 LYS 31 HG1 LYS 31 78.831 15.987 -9.324 238 HD2 LYS 31 HD2 LYS 31 80.416 15.644 -11.849 239 HD3 LYS 31 HD1 LYS 31 78.973 16.658 -11.870 240 HE2 LYS 31 HE2 LYS 31 81.085 16.998 -9.743 241 HE3 LYS 31 HE1 LYS 31 81.228 17.799 -11.308 242 HZ1 LYS 31 HZ1 LYS 31 80.047 19.016 -9.400 243 HZ2 LYS 31 HZ2 LYS 31 78.735 17.995 -9.750 244 HZ3 LYS 31 HZ3 LYS 31 79.337 19.047 -10.940 245 H GLN 32 HN GLN 32 82.016 12.040 -11.906 246 HA GLN 32 HA GLN 32 82.561 9.943 -9.922 247 HB2 GLN 32 HB2 GLN 32 82.720 9.644 -12.457 248 HB3 GLN 32 HB1 GLN 32 84.199 10.602 -12.379 249 HG2 GLN 32 HG2 GLN 32 85.024 8.420 -12.185 250 HG3 GLN 32 HG1 GLN 32 84.881 8.911 -10.496 251 HE21 GLN 32 HE21 GLN 32 84.444 6.221 -12.160 252 HE22 GLN 32 HE22 GLN 32 83.013 5.615 -11.475 253 H ARG 33 HN ARG 33 83.841 10.352 -8.194 254 HA ARG 33 HA ARG 33 86.393 11.704 -8.500 255 HE ARG 33 HE ARG 33 81.314 13.782 -6.170 256 HB2 ARG 33 HB2 ARG 33 85.803 13.505 -6.788 257 HB3 ARG 33 HB1 ARG 33 85.115 13.723 -8.396 258 HG2 ARG 33 HG2 ARG 33 82.995 12.729 -7.643 259 HG3 ARG 33 HG1 ARG 33 83.677 12.467 -6.038 260 HD2 ARG 33 HD2 ARG 33 83.805 14.790 -5.588 261 HD3 ARG 33 HD1 ARG 33 83.602 15.213 -7.288 262 HH11 ARG 33 HH21 ARG 33 82.908 16.800 -6.658 263 HH12 ARG 33 HH22 ARG 33 81.456 17.737 -6.544 264 HH21 ARG 33 HH11 ARG 33 79.408 14.988 -6.017 265 HH22 ARG 33 HH12 ARG 33 79.474 16.711 -6.181 266 H GLN 34 HN GLN 34 85.569 12.462 -5.443 267 HA GLN 34 HA GLN 34 86.114 11.478 -3.383 268 HB2 GLN 34 HB2 GLN 34 84.668 9.263 -4.842 269 HB3 GLN 34 HB1 GLN 34 85.271 9.040 -3.200 270 HG2 GLN 34 HG2 GLN 34 83.530 11.391 -3.961 271 HG3 GLN 34 HG1 GLN 34 82.849 9.856 -3.420 272 HE21 GLN 34 HE21 GLN 34 84.691 9.121 -1.411 273 HE22 GLN 34 HE22 GLN 34 84.645 10.267 -0.161 274 H THR 35 HN THR 35 88.309 11.324 -3.133 275 HA THR 35 HA THR 35 90.498 10.481 -3.346 276 HB THR 35 HB THR 35 90.525 7.906 -3.227 277 HG1 THR 35 HG1 THR 35 88.414 7.726 -4.179 278 HG21 THR 35 HG21 THR 35 89.604 7.942 -0.887 279 HG22 THR 35 HG22 THR 35 89.012 9.573 -1.200 280 HG23 THR 35 HG23 THR 35 90.744 9.245 -1.223 281 H ARG 36 HN ARG 36 89.883 7.568 -4.913 282 HA ARG 36 HA ARG 36 90.297 8.756 -7.623 283 HE ARG 36 HE ARG 36 93.607 6.385 -4.532 284 HB2 ARG 36 HB2 ARG 36 91.902 6.506 -6.365 285 HB3 ARG 36 HB1 ARG 36 91.967 6.939 -8.072 286 HG2 ARG 36 HG2 ARG 36 93.705 8.258 -7.355 287 HG3 ARG 36 HG1 ARG 36 92.390 9.377 -6.992 288 HD2 ARG 36 HD2 ARG 36 93.746 9.244 -5.013 289 HD3 ARG 36 HD1 ARG 36 92.277 8.325 -4.684 290 HH11 ARG 36 HH21 ARG 36 95.217 8.928 -6.214 291 HH12 ARG 36 HH22 ARG 36 96.719 8.075 -6.336 292 HH21 ARG 36 HH11 ARG 36 95.560 5.257 -4.682 293 HH22 ARG 36 HH12 ARG 36 96.914 5.997 -5.469 294 H GLN 37 HN GLN 37 87.846 8.072 -7.250 295 HA GLN 37 HA GLN 37 86.180 6.691 -8.184 296 HB2 GLN 37 HB2 GLN 37 88.339 6.055 -9.702 297 HB3 GLN 37 HB1 GLN 37 88.076 4.506 -8.902 298 HG2 GLN 37 HG2 GLN 37 85.953 6.073 -10.400 299 HG3 GLN 37 HG1 GLN 37 86.809 4.667 -11.032 300 HE21 GLN 37 HE21 GLN 37 84.215 5.696 -8.931 301 HE22 GLN 37 HE22 GLN 37 83.726 4.146 -8.444 302 H1U RCY 38 H1U RCY 38 82.239 1.007 0.793 303 H1S RCY 38 H1S RCY 38 83.602 3.797 -2.239 304 HB1 RCY 38 HB1 RCY 38 85.249 3.944 -4.690 305 HB2 RCY 38 HB2 RCY 38 85.673 5.542 -4.077 306 HA RCY 38 HA RCY 38 88.072 4.542 -3.825 307 HN1 RCY 38 HN1 RCY 38 88.256 5.972 -5.677 308 H LYS 39 HN LYS 39 89.382 2.792 -4.318 309 HA LYS 39 HA LYS 39 88.010 0.411 -5.460 310 HB2 LYS 39 HB2 LYS 39 90.234 -0.035 -6.719 311 HB3 LYS 39 HB1 LYS 39 89.128 1.157 -7.402 312 HG2 LYS 39 HG2 LYS 39 90.419 2.979 -6.607 313 HG3 LYS 39 HG1 LYS 39 91.321 1.957 -5.488 314 HD2 LYS 39 HD2 LYS 39 92.423 0.823 -7.343 315 HD3 LYS 39 HD1 LYS 39 91.453 1.725 -8.508 316 HE2 LYS 39 HE2 LYS 39 93.867 2.567 -7.965 317 HE3 LYS 39 HE1 LYS 39 92.558 3.744 -8.062 318 HZ1 LYS 39 HZ1 LYS 39 93.400 2.458 -5.528 319 HZ2 LYS 39 HZ2 LYS 39 92.368 3.793 -5.722 320 HZ3 LYS 39 HZ3 LYS 39 94.025 3.940 -6.066 321 H SER 40 HN SER 40 90.780 1.758 -3.700 322 HA SER 40 HA SER 40 92.058 -0.603 -2.883 323 HG SER 40 HG SER 40 90.580 1.295 -0.615 324 HB2 SER 40 HB2 SER 40 93.006 0.661 -1.124 325 HB3 SER 40 HB1 SER 40 92.643 1.867 -2.355 326 H LYS 41 HN LYS 41 91.617 -2.169 -1.319 327 HA LYS 41 HA LYS 41 88.864 -2.504 -0.526 328 HB2 LYS 41 HB2 LYS 41 91.272 -3.957 0.592 329 HB3 LYS 41 HB1 LYS 41 89.603 -4.525 0.558 330 HG2 LYS 41 HG2 LYS 41 89.730 -4.341 -1.985 331 HG3 LYS 41 HG1 LYS 41 91.470 -4.128 -1.788 332 HD2 LYS 41 HD2 LYS 41 91.375 -6.430 -2.028 333 HD3 LYS 41 HD1 LYS 41 91.218 -6.299 -0.276 334 HE2 LYS 41 HE2 LYS 41 89.450 -7.738 -0.866 335 HE3 LYS 41 HE1 LYS 41 88.663 -6.164 -0.738 336 HZ1 LYS 41 HZ1 LYS 41 88.165 -7.526 -2.793 337 HZ2 LYS 41 HZ2 LYS 41 89.749 -7.175 -3.297 338 HZ3 LYS 41 HZ3 LYS 41 88.635 -5.916 -3.049 339 HA PRO 42 HA PRO 42 89.208 -0.085 3.228 340 HB2 PRO 42 HB2 PRO 42 86.768 -0.636 4.293 341 HB3 PRO 42 HB1 PRO 42 86.974 0.419 2.881 342 HG2 PRO 42 HG2 PRO 42 86.120 -2.428 2.998 343 HG3 PRO 42 HG1 PRO 42 85.536 -1.114 1.964 344 HD2 PRO 42 HD2 PRO 42 87.330 -3.050 1.133 345 HD3 PRO 42 HD1 PRO 42 87.195 -1.437 0.399 346 HA PRO 43 HA PRO 43 90.525 -2.787 6.481 347 HB2 PRO 43 HB2 PRO 43 89.598 -1.423 8.714 348 HB3 PRO 43 HB1 PRO 43 91.067 -0.999 7.816 349 HG2 PRO 43 HG2 PRO 43 88.355 0.209 7.680 350 HG3 PRO 43 HG1 PRO 43 89.946 0.984 7.593 351 HD2 PRO 43 HD2 PRO 43 88.434 0.549 5.377 352 HD3 PRO 43 HD1 PRO 43 90.211 0.500 5.333 353 H LYS 44 HN LYS 44 89.751 -4.389 7.976 354 HA LYS 44 HA LYS 44 86.933 -5.103 7.585 355 HB2 LYS 44 HB2 LYS 44 88.787 -6.796 7.585 356 HB3 LYS 44 HB1 LYS 44 89.040 -6.463 9.295 357 HG2 LYS 44 HG2 LYS 44 87.086 -7.508 9.933 358 HG3 LYS 44 HG1 LYS 44 86.256 -7.104 8.430 359 HD2 LYS 44 HD2 LYS 44 88.582 -8.964 8.252 360 HD3 LYS 44 HD1 LYS 44 87.089 -9.595 8.948 361 HE2 LYS 44 HE2 LYS 44 87.282 -9.886 6.442 362 HE3 LYS 44 HE1 LYS 44 85.837 -9.026 6.970 363 HZ1 LYS 44 HZ1 LYS 44 86.979 -6.933 6.527 364 HZ2 LYS 44 HZ2 LYS 44 86.880 -7.891 5.127 365 HZ3 LYS 44 HZ3 LYS 44 88.344 -7.779 5.982 366 H LYS 45 HN LYS 45 88.190 -5.907 10.680 367 HA LYS 45 HA LYS 45 86.165 -4.137 11.941 368 HB2 LYS 45 HB2 LYS 45 87.730 -6.546 12.875 369 HB3 LYS 45 HB1 LYS 45 86.872 -5.514 14.018 370 HG2 LYS 45 HG2 LYS 45 84.783 -5.851 12.675 371 HG3 LYS 45 HG1 LYS 45 85.664 -7.000 11.667 372 HD2 LYS 45 HD2 LYS 45 86.192 -8.316 13.741 373 HD3 LYS 45 HD1 LYS 45 85.133 -7.230 14.642 374 HE2 LYS 45 HE2 LYS 45 83.742 -9.063 14.077 375 HE3 LYS 45 HE1 LYS 45 83.337 -7.826 12.887 376 HZ1 LYS 45 HZ1 LYS 45 84.953 -10.265 12.545 377 HZ2 LYS 45 HZ2 LYS 45 85.179 -8.939 11.508 378 HZ3 LYS 45 HZ3 LYS 45 83.662 -9.698 11.602 379 H GLY 46 HN GLY 46 87.702 -2.271 11.376 380 HA2 GLY 46 HA2 GLY 46 89.016 -1.345 13.712 381 HA3 GLY 46 HA1 GLY 46 90.249 -2.017 12.645 382 H VAL 47 HN VAL 47 87.275 -0.227 11.821 383 HA VAL 47 HA VAL 47 88.408 1.284 9.740 384 HB VAL 47 HB VAL 47 86.533 2.877 10.105 385 HG11 VAL 47 HG11 VAL 47 84.757 1.282 9.717 386 HG12 VAL 47 HG12 VAL 47 85.666 0.002 10.521 387 HG13 VAL 47 HG13 VAL 47 86.223 0.641 8.974 388 HG21 VAL 47 HG21 VAL 47 86.401 3.060 12.470 389 HG22 VAL 47 HG22 VAL 47 86.321 1.310 12.681 390 HG23 VAL 47 HG23 VAL 47 84.940 2.182 12.014 391 H GLN 48 HN GLN 48 89.902 2.889 9.731 392 HA GLN 48 HA GLN 48 91.065 3.864 12.193 393 HB2 GLN 48 HB2 GLN 48 91.359 4.926 9.365 394 HB3 GLN 48 HB1 GLN 48 92.415 5.307 10.726 395 HG2 GLN 48 HG2 GLN 48 91.949 2.508 9.659 396 HG3 GLN 48 HG1 GLN 48 93.338 3.512 9.243 397 HE21 GLN 48 HE21 GLN 48 92.506 1.035 11.266 398 HE22 GLN 48 HE22 GLN 48 93.558 1.349 12.560 399 H GLY 49 HN GLY 49 88.144 4.554 10.907 400 HA2 GLY 49 HA2 GLY 49 86.634 6.239 11.642 401 HA3 GLY 49 HA1 GLY 49 87.994 7.115 12.345 402 H1U RCY 50 H1U RCY 50 84.519 3.916 2.635 403 H1S RCY 50 H1S RCY 50 86.256 6.743 5.230 404 HB1 RCY 50 HB1 RCY 50 87.469 6.156 6.615 405 HB2 RCY 50 HB2 RCY 50 89.210 6.409 6.716 406 HA RCY 50 HA RCY 50 88.877 8.483 7.961 407 HN1 RCY 50 HN1 RCY 50 88.174 5.983 9.047 408 H GLY 51 HN GLY 51 85.898 7.547 9.216 409 HA2 GLY 51 HA2 GLY 51 84.551 9.926 8.984 410 HA3 GLY 51 HA1 GLY 51 84.209 9.142 7.440 411 H ASP 52 HN ASP 52 84.448 7.943 10.805 412 HA ASP 52 HA ASP 52 81.710 6.772 10.459 413 HB2 ASP 52 HB2 ASP 52 84.179 5.604 11.762 414 HB3 ASP 52 HB1 ASP 52 82.559 4.975 12.066 415 H ASP 53 HN ASP 53 80.417 6.716 12.387 416 HA ASP 53 HA ASP 53 81.168 7.508 14.971 417 HB2 ASP 53 HB2 ASP 53 80.919 9.754 13.064 418 HB3 ASP 53 HB1 ASP 53 79.993 9.962 14.549 419 H ILE 54 HN ILE 54 78.565 9.095 13.140 420 HA ILE 54 HA ILE 54 76.607 7.114 14.110 421 HB ILE 54 HB ILE 54 76.696 8.618 16.010 422 HG12 ILE 54 HG12 ILE 54 74.330 9.342 14.251 423 HG13 ILE 54 HG11 ILE 54 74.446 7.884 15.237 424 HG21 ILE 54 HG21 ILE 54 76.564 10.994 15.826 425 HG22 ILE 54 HG22 ILE 54 76.097 10.909 14.128 426 HG23 ILE 54 HG23 ILE 54 77.741 10.493 14.612 427 HD11 ILE 54 HD11 ILE 54 73.193 9.497 16.512 428 HD12 ILE 54 HD12 ILE 54 74.391 10.754 16.203 429 HD13 ILE 54 HD13 ILE 54 74.794 9.389 17.245 430 HA PRO 55 HA PRO 55 75.116 8.446 10.091 431 HB2 PRO 55 HB2 PRO 55 72.851 6.901 10.004 432 HB3 PRO 55 HB1 PRO 55 74.475 6.260 9.693 433 HG2 PRO 55 HG2 PRO 55 72.813 6.073 12.149 434 HG3 PRO 55 HG1 PRO 55 73.896 4.875 11.422 435 HD2 PRO 55 HD2 PRO 55 74.581 6.411 13.602 436 HD3 PRO 55 HD1 PRO 55 75.768 5.742 12.460 437 H GLY 56 HN GLY 56 72.583 8.972 9.343 438 HA2 GLY 56 HA2 GLY 56 71.887 11.297 10.910 439 HA3 GLY 56 HA1 GLY 56 70.943 10.649 9.567 440 H MET 57 HN MET 57 71.864 8.872 12.514 441 HA MET 57 HA MET 57 70.437 7.616 13.923 442 HB2 MET 57 HB2 MET 57 69.332 10.428 13.969 443 HB3 MET 57 HB1 MET 57 68.690 9.158 15.012 444 HG2 MET 57 HG2 MET 57 71.629 9.876 14.890 445 HG3 MET 57 HG1 MET 57 70.511 10.569 16.066 446 HE1 MET 57 HE1 MET 57 70.307 9.617 18.356 447 HE2 MET 57 HE2 MET 57 69.690 7.976 18.537 448 HE3 MET 57 HE3 MET 57 68.883 9.099 17.445 449 H GLU 58 HN GLU 58 69.609 7.941 10.946 450 HA GLU 58 HA GLU 58 67.252 6.332 11.074 451 HB2 GLU 58 HB2 GLU 58 66.758 9.109 11.428 452 HB3 GLU 58 HB1 GLU 58 66.239 8.723 9.790 453 HG2 GLU 58 HG2 GLU 58 65.404 7.228 12.295 454 HG3 GLU 58 HG1 GLU 58 64.402 8.376 11.407 455 H GLY 59 HN GLY 59 68.080 5.111 9.399 456 HA2 GLY 59 HA2 GLY 59 67.678 5.310 6.797 457 HA3 GLY 59 HA1 GLY 59 68.970 6.506 6.926 458 H1U RCY 60 H1U RCY 60 75.386 4.861 1.378 459 H1S RCY 60 H1S RCY 60 73.284 2.977 5.340 460 HB1 RCY 60 HB1 RCY 60 73.361 4.141 9.295 461 HB2 RCY 60 HB2 RCY 60 73.087 5.319 8.013 462 HA RCY 60 HA RCY 60 71.794 3.154 6.979 463 HN1 RCY 60 HN1 RCY 60 70.853 5.511 8.457 464 H GLY 61 HN GLY 61 70.879 3.980 10.304 465 HA2 GLY 61 HA2 GLY 61 70.561 2.595 12.185 466 HA3 GLY 61 HA1 GLY 61 69.693 1.591 11.023 467 H THR 62 HN THR 62 72.892 2.165 12.449 468 HA THR 62 HA THR 62 74.120 -0.143 11.218 469 HB THR 62 HB THR 62 75.813 0.169 13.115 470 HG1 THR 62 HG1 THR 62 74.115 1.238 14.420 471 HG21 THR 62 HG21 THR 62 76.195 1.170 10.941 472 HG22 THR 62 HG22 THR 62 76.605 2.359 12.178 473 HG23 THR 62 HG23 THR 62 75.077 2.485 11.306 474 H ASP 63 HN ASP 63 71.503 -0.588 12.574 475 HA ASP 63 HA ASP 63 71.710 -1.903 15.045 476 HB2 ASP 63 HB2 ASP 63 69.929 -2.330 12.649 477 HB3 ASP 63 HB1 ASP 63 69.806 -3.391 14.052 478 H ILE 64 HN ILE 64 72.857 -2.898 11.906 479 HA ILE 64 HA ILE 64 74.081 -5.263 13.166 480 HB ILE 64 HB ILE 64 72.190 -5.377 10.851 481 HG12 ILE 64 HG12 ILE 64 72.584 -7.062 13.347 482 HG13 ILE 64 HG11 ILE 64 71.327 -5.845 13.116 483 HG21 ILE 64 HG21 ILE 64 73.081 -7.746 10.556 484 HG22 ILE 64 HG22 ILE 64 74.464 -7.256 11.535 485 HG23 ILE 64 HG23 ILE 64 74.149 -6.461 9.992 486 HD11 ILE 64 HD11 ILE 64 71.376 -8.605 12.231 487 HD12 ILE 64 HD12 ILE 64 71.156 -7.515 10.862 488 HD13 ILE 64 HD13 ILE 64 70.035 -7.459 12.223 489 H THR 65 HN THR 65 74.195 -2.695 10.986 490 HA THR 65 HA THR 65 75.846 -1.999 9.494 491 HB THR 65 HB THR 65 77.557 -3.698 11.325 492 HG1 THR 65 HG1 THR 65 77.569 -0.968 11.544 493 HG21 THR 65 HG21 THR 65 79.336 -2.043 10.577 494 HG22 THR 65 HG22 THR 65 78.216 -1.539 9.311 495 HG23 THR 65 HG23 THR 65 78.815 -3.197 9.348 496 H VAL 66 HN VAL 66 77.536 -5.048 10.076 497 HA VAL 66 HA VAL 66 78.157 -5.677 7.484 498 HB VAL 66 HB VAL 66 77.558 -8.187 8.267 499 HG11 VAL 66 HG11 VAL 66 79.761 -6.449 9.422 500 HG12 VAL 66 HG12 VAL 66 79.818 -7.311 7.885 501 HG13 VAL 66 HG13 VAL 66 79.769 -8.212 9.400 502 HG21 VAL 66 HG21 VAL 66 76.258 -7.344 10.226 503 HG22 VAL 66 HG22 VAL 66 77.728 -6.591 10.844 504 HG23 VAL 66 HG23 VAL 66 77.626 -8.347 10.709 505 H ILE 67 HN ILE 67 75.096 -6.801 9.003 506 HA ILE 67 HA ILE 67 73.844 -6.529 6.310 507 HB ILE 67 HB ILE 67 73.603 -8.918 8.151 508 HG12 ILE 67 HG12 ILE 67 74.434 -8.750 5.242 509 HG13 ILE 67 HG11 ILE 67 75.587 -8.741 6.577 510 HG21 ILE 67 HG21 ILE 67 72.122 -9.707 6.157 511 HG22 ILE 67 HG22 ILE 67 71.962 -7.987 5.803 512 HG23 ILE 67 HG23 ILE 67 71.411 -8.623 7.353 513 HD11 ILE 67 HD11 ILE 67 73.606 -10.934 5.903 514 HD12 ILE 67 HD12 ILE 67 74.591 -10.908 7.366 515 HD13 ILE 67 HD13 ILE 67 75.364 -11.023 5.785 516 H1U RCY 68 H1U RCY 68 73.593 1.934 3.796 517 H1S RCY 68 H1S RCY 68 73.208 -2.456 5.283 518 HB1 RCY 68 HB1 RCY 68 70.597 -2.368 8.657 519 HB2 RCY 68 HB2 RCY 68 70.403 -2.946 7.001 520 HA RCY 68 HA RCY 68 71.223 -4.452 9.449 521 HN1 RCY 68 HN1 RCY 68 72.824 -4.612 7.096 522 HA PRO 69 HA PRO 69 67.937 -7.157 8.142 523 HB2 PRO 69 HB2 PRO 69 66.043 -6.456 9.996 524 HB3 PRO 69 HB1 PRO 69 67.449 -7.470 10.374 525 HG2 PRO 69 HG2 PRO 69 67.030 -4.567 10.883 526 HG3 PRO 69 HG1 PRO 69 67.794 -5.795 11.906 527 HD2 PRO 69 HD2 PRO 69 69.232 -4.005 10.415 528 HD3 PRO 69 HD1 PRO 69 69.833 -5.629 10.817 529 H TRP 70 HN TRP 70 67.322 -3.701 8.553 530 HA TRP 70 HA TRP 70 64.784 -3.772 7.130 531 HD1 TRP 70 HD1 TRP 70 67.951 -1.930 9.456 532 HE1 TRP 70 HE1 TRP 70 69.913 -0.489 8.612 533 HE3 TRP 70 HE3 TRP 70 65.931 -0.144 5.120 534 HZ2 TRP 70 HZ2 TRP 70 70.545 1.201 6.388 535 HZ3 TRP 70 HZ3 TRP 70 67.230 1.375 3.661 536 HH2 TRP 70 HH2 TRP 70 69.531 2.051 4.286 537 HB2 TRP 70 HB2 TRP 70 64.926 -1.333 7.203 538 HB3 TRP 70 HB1 TRP 70 65.377 -1.992 8.776 539 H GLU 71 HN GLU 71 67.827 -4.390 6.080 540 HA GLU 71 HA GLU 71 67.149 -4.113 3.308 541 HB2 GLU 71 HB2 GLU 71 67.521 -1.720 3.694 542 HB3 GLU 71 HB1 GLU 71 69.089 -2.059 4.425 543 HG2 GLU 71 HG2 GLU 71 69.248 -1.335 2.026 544 HG3 GLU 71 HG1 GLU 71 69.941 -2.930 2.322 545 H ALA 72 HN ALA 72 67.909 -6.295 3.488 546 HA ALA 72 HA ALA 72 70.405 -7.092 4.523 547 HB1 ALA 72 HB1 ALA 72 69.128 -8.342 2.088 548 HB2 ALA 72 HB2 ALA 72 68.480 -8.568 3.713 549 HB3 ALA 72 HB3 ALA 72 70.107 -9.129 3.326 550 H1U RCY 73 H1U RCY 73 73.420 -1.814 5.025 551 H1S RCY 73 H1S RCY 73 76.212 -3.931 1.653 552 HB1 RCY 73 HB1 RCY 73 74.618 -8.139 1.674 553 HB2 RCY 73 HB2 RCY 73 74.646 -7.320 3.233 554 HA RCY 73 HA RCY 73 73.438 -5.389 1.869 555 HN1 RCY 73 HN1 RCY 73 72.453 -7.387 3.559 556 H ASN 74 HN ASN 74 71.370 -7.951 1.041 557 HA ASN 74 HA ASN 74 72.239 -8.201 -1.742 558 HB2 ASN 74 HB2 ASN 74 71.002 -9.977 -0.314 559 HB3 ASN 74 HB1 ASN 74 69.546 -9.046 -0.667 560 HD21 ASN 74 HD21 ASN 74 72.308 -10.647 -2.338 561 HD22 ASN 74 HD22 ASN 74 71.433 -11.021 -3.744 562 H HIS 75 HN HIS 75 69.559 -8.149 -2.895 563 HA HIS 75 HA HIS 75 68.049 -6.630 -3.852 564 HD1 HIS 75 HD1 HIS 75 65.764 -6.093 -0.840 565 HD2 HIS 75 HD2 HIS 75 66.594 -3.981 -4.340 566 HE1 HIS 75 HE1 HIS 75 63.525 -5.465 -1.845 567 HE2 HIS 75 HE2 HIS 75 64.017 -4.180 -3.977 568 HB2 HIS 75 HB2 HIS 75 68.212 -5.862 -1.195 569 HB3 HIS 75 HB1 HIS 75 68.635 -4.375 -2.041 570 H1U RCY 76 H1U RCY 76 72.267 -2.549 2.482 571 H1S RCY 76 H1S RCY 76 70.831 -2.729 -1.354 572 HB1 RCY 76 HB1 RCY 76 72.193 -2.581 -5.255 573 HB2 RCY 76 HB2 RCY 76 71.813 -3.803 -4.046 574 HA RCY 76 HA RCY 76 69.600 -2.156 -5.243 575 HN1 RCY 76 HN1 RCY 76 68.474 -3.706 -3.890 576 H GLU 77 HN GLU 77 69.651 -2.063 -7.445 577 HA GLU 77 HA GLU 77 69.447 -4.309 -9.123 578 HB2 GLU 77 HB2 GLU 77 70.710 -1.652 -9.873 579 HB3 GLU 77 HB1 GLU 77 69.971 -2.813 -10.975 580 HG2 GLU 77 HG2 GLU 77 68.230 -1.283 -10.656 581 HG3 GLU 77 HG1 GLU 77 67.858 -2.514 -9.447 582 H LEU 78 HN LEU 78 70.927 -5.804 -9.811 583 HA LEU 78 HA LEU 78 73.781 -5.082 -9.980 584 HG LEU 78 HG LEU 78 71.764 -7.729 -8.760 585 HB2 LEU 78 HB2 LEU 78 74.559 -6.792 -8.485 586 HB3 LEU 78 HB1 LEU 78 73.366 -5.835 -7.610 587 HD11 LEU 78 HD11 LEU 78 73.684 -8.963 -9.669 588 HD12 LEU 78 HD12 LEU 78 72.894 -9.911 -8.409 589 HD13 LEU 78 HD13 LEU 78 74.399 -9.061 -8.060 590 HD21 LEU 78 HD21 LEU 78 71.943 -8.879 -6.485 591 HD22 LEU 78 HD22 LEU 78 71.593 -7.151 -6.441 592 HD23 LEU 78 HD23 LEU 78 73.226 -7.729 -6.109 593 H HIS 79 HN HIS 79 74.874 -6.335 -11.484 594 HA HIS 79 HA HIS 79 73.968 -8.912 -12.392 595 HD1 HIS 79 HD1 HIS 79 72.477 -10.227 -13.345 596 HD2 HIS 79 HD2 HIS 79 73.235 -8.028 -16.807 597 HE1 HIS 79 HE1 HIS 79 72.220 -11.835 -15.284 598 HE2 HIS 79 HE2 HIS 79 72.679 -10.509 -17.398 599 HB2 HIS 79 HB2 HIS 79 72.219 -7.281 -13.358 600 HB3 HIS 79 HB1 HIS 79 73.516 -6.702 -14.404 601 H GLU 80 HN GLU 80 76.029 -6.166 -12.532 602 HA GLU 80 HA GLU 80 78.089 -7.813 -13.881 603 HB2 GLU 80 HB2 GLU 80 78.704 -5.887 -15.371 604 HB3 GLU 80 HB1 GLU 80 77.133 -6.591 -15.744 605 HG2 GLU 80 HG2 GLU 80 76.695 -4.274 -15.737 606 HG3 GLU 80 HG1 GLU 80 76.183 -4.788 -14.129 607 H LEU 81 HN LEU 81 77.169 -5.140 -11.836 608 HA LEU 81 HA LEU 81 79.915 -4.285 -11.320 609 HG LEU 81 HG LEU 81 76.676 -4.815 -10.019 610 HB2 LEU 81 HB2 LEU 81 78.722 -3.127 -9.311 611 HB3 LEU 81 HB1 LEU 81 78.352 -2.566 -10.940 612 HD11 LEU 81 HD11 LEU 81 76.533 -2.089 -8.698 613 HD12 LEU 81 HD12 LEU 81 76.830 -3.633 -7.899 614 HD13 LEU 81 HD13 LEU 81 75.253 -3.300 -8.616 615 HD21 LEU 81 HD21 LEU 81 76.119 -2.091 -11.238 616 HD22 LEU 81 HD22 LEU 81 74.919 -3.365 -11.018 617 HD23 LEU 81 HD23 LEU 81 76.273 -3.610 -12.121 618 H ALA 82 HN ALA 82 77.973 -6.880 -10.334 619 HA ALA 82 HA ALA 82 78.893 -7.218 -7.631 620 HB1 ALA 82 HB1 ALA 82 77.893 -9.274 -9.621 621 HB2 ALA 82 HB2 ALA 82 76.892 -8.361 -8.491 622 HB3 ALA 82 HB3 ALA 82 78.062 -9.532 -7.885 623 H GLN 83 HN GLN 83 81.220 -6.572 -8.766 624 HA GLN 83 HA GLN 83 82.730 -8.725 -9.905 625 HB2 GLN 83 HB2 GLN 83 83.233 -6.116 -9.617 626 HB3 GLN 83 HB1 GLN 83 84.077 -6.679 -8.177 627 HG2 GLN 83 HG2 GLN 83 84.554 -7.591 -11.029 628 HG3 GLN 83 HG1 GLN 83 85.656 -6.651 -10.023 629 HE21 GLN 83 HE21 GLN 83 84.478 -9.883 -10.695 630 HE22 GLN 83 HE22 GLN 83 85.488 -10.690 -9.595 631 H TYR 84 HN TYR 84 82.851 -7.411 -6.566 632 HA TYR 84 HA TYR 84 82.895 -10.118 -5.452 633 HD1 TYR 84 HD2 TYR 84 85.746 -7.181 -6.683 634 HD2 TYR 84 HD1 TYR 84 85.324 -8.581 -2.644 635 HE1 TYR 84 HE2 TYR 84 86.729 -5.063 -5.846 636 HE2 TYR 84 HE1 TYR 84 86.307 -6.464 -1.807 637 HH TYR 84 HH TYR 84 86.901 -3.751 -3.926 638 HB2 TYR 84 HB2 TYR 84 85.076 -10.103 -4.525 639 HB3 TYR 84 HB1 TYR 84 85.309 -9.554 -6.183 640 H GLY 85 HN GLY 85 81.641 -9.943 -3.664 641 HA2 GLY 85 HA2 GLY 85 81.413 -8.994 -1.378 642 HA3 GLY 85 HA1 GLY 85 81.795 -7.416 -2.069 643 H ILE 86 HN ILE 86 80.133 -7.619 -4.401 644 HA ILE 86 HA ILE 86 77.929 -7.128 -5.045 645 HB ILE 86 HB ILE 86 77.156 -8.982 -2.769 646 HG12 ILE 86 HG12 ILE 86 77.719 -9.708 -5.658 647 HG13 ILE 86 HG11 ILE 86 78.884 -9.940 -4.354 648 HG21 ILE 86 HG21 ILE 86 75.737 -8.677 -5.400 649 HG22 ILE 86 HG22 ILE 86 75.465 -7.491 -4.124 650 HG23 ILE 86 HG23 ILE 86 75.092 -9.192 -3.842 651 HD11 ILE 86 HD11 ILE 86 77.573 -12.003 -4.809 652 HD12 ILE 86 HD12 ILE 86 76.094 -11.127 -4.416 653 HD13 ILE 86 HD13 ILE 86 77.314 -11.401 -3.172 654 H1U RCY 87 H1U RCY 87 80.738 -5.104 -2.060 655 H1S RCY 87 H1S RCY 87 77.999 -4.684 -5.047 656 HB1 RCY 87 HB1 RCY 87 75.723 -2.268 -3.193 657 HB2 RCY 87 HB2 RCY 87 74.500 -3.459 -3.636 658 HA RCY 87 HA RCY 87 77.092 -3.839 -2.225 659 HN1 RCY 87 HN1 RCY 87 76.600 -5.393 -4.578 Start of MODEL 72 1 HA MET 1 HA MET 1 49.539 -1.124 -6.558 2 HB2 MET 1 HB2 MET 1 51.397 -2.498 -4.593 3 HB3 MET 1 HB1 MET 1 51.863 -1.360 -5.859 4 HG2 MET 1 HG2 MET 1 50.311 0.324 -4.735 5 HG3 MET 1 HG1 MET 1 50.225 -0.800 -3.378 6 HE1 MET 1 HE1 MET 1 51.782 -0.062 -1.284 7 HE2 MET 1 HE2 MET 1 50.807 1.157 -2.102 8 HE3 MET 1 HE3 MET 1 52.459 1.537 -1.621 9 H ASN 2 HN ASN 2 48.345 -2.893 -7.800 10 HA ASN 2 HA ASN 2 48.428 -4.765 -9.211 11 HB2 ASN 2 HB2 ASN 2 51.421 -4.736 -8.796 12 HB3 ASN 2 HB1 ASN 2 50.519 -5.226 -10.231 13 HD21 ASN 2 HD21 ASN 2 48.790 -2.631 -9.415 14 HD22 ASN 2 HD22 ASN 2 49.658 -1.395 -10.190 15 H LEU 3 HN LEU 3 50.012 -7.029 -9.217 16 HA LEU 3 HA LEU 3 48.994 -8.467 -6.945 17 HG LEU 3 HG LEU 3 48.549 -8.650 -9.497 18 HB2 LEU 3 HB2 LEU 3 51.269 -9.453 -8.661 19 HB3 LEU 3 HB1 LEU 3 49.966 -10.378 -7.917 20 HD11 LEU 3 HD11 LEU 3 49.618 -8.299 -11.565 21 HD12 LEU 3 HD12 LEU 3 50.859 -9.507 -11.231 22 HD13 LEU 3 HD13 LEU 3 50.891 -7.955 -10.394 23 HD21 LEU 3 HD21 LEU 3 48.494 -10.631 -11.123 24 HD22 LEU 3 HD22 LEU 3 48.069 -10.989 -9.449 25 HD23 LEU 3 HD23 LEU 3 49.671 -11.403 -10.060 26 H GLU 4 HN GLU 4 50.055 -6.761 -5.423 27 HA GLU 4 HA GLU 4 52.710 -7.833 -4.560 28 HB2 GLU 4 HB2 GLU 4 51.778 -4.960 -4.704 29 HB3 GLU 4 HB1 GLU 4 53.166 -5.463 -3.740 30 HG2 GLU 4 HG2 GLU 4 52.896 -6.081 -6.691 31 HG3 GLU 4 HG1 GLU 4 53.731 -4.654 -6.078 32 HA PRO 5 HA PRO 5 50.280 -8.869 -0.907 33 HB2 PRO 5 HB2 PRO 5 52.994 -8.498 0.322 34 HB3 PRO 5 HB1 PRO 5 51.816 -9.803 0.569 35 HG2 PRO 5 HG2 PRO 5 53.952 -10.122 -0.998 36 HG3 PRO 5 HG1 PRO 5 52.394 -10.871 -1.383 37 HD2 PRO 5 HD2 PRO 5 53.753 -8.593 -2.717 38 HD3 PRO 5 HD1 PRO 5 52.537 -9.717 -3.363 39 HA PRO 6 HA PRO 6 49.733 -4.713 0.703 40 HB2 PRO 6 HB2 PRO 6 47.926 -5.261 2.668 41 HB3 PRO 6 HB1 PRO 6 47.500 -5.279 0.945 42 HG2 PRO 6 HG2 PRO 6 48.091 -7.560 2.763 43 HG3 PRO 6 HG1 PRO 6 46.865 -7.416 1.492 44 HD2 PRO 6 HD2 PRO 6 49.249 -8.753 1.155 45 HD3 PRO 6 HD1 PRO 6 48.340 -8.013 -0.181 46 H LYS 7 HN LYS 7 50.172 -3.480 2.694 47 HA LYS 7 HA LYS 7 52.435 -4.422 4.156 48 HB2 LYS 7 HB2 LYS 7 51.749 -2.476 5.751 49 HB3 LYS 7 HB1 LYS 7 52.208 -2.080 4.095 50 HG2 LYS 7 HG2 LYS 7 49.968 -1.762 3.420 51 HG3 LYS 7 HG1 LYS 7 49.332 -2.632 4.817 52 HD2 LYS 7 HD2 LYS 7 49.052 -0.166 5.034 53 HD3 LYS 7 HD1 LYS 7 50.067 -0.840 6.310 54 HE2 LYS 7 HE2 LYS 7 50.933 1.292 5.178 55 HE3 LYS 7 HE1 LYS 7 52.065 -0.057 5.277 56 HZ1 LYS 7 HZ1 LYS 7 51.655 -0.627 3.038 57 HZ2 LYS 7 HZ2 LYS 7 51.909 1.052 3.058 58 HZ3 LYS 7 HZ3 LYS 7 50.333 0.430 2.922 59 H ALA 8 HN ALA 8 51.794 -6.512 4.973 60 HA ALA 8 HA ALA 8 50.056 -6.339 7.407 61 HB1 ALA 8 HB1 ALA 8 49.372 -8.713 6.889 62 HB2 ALA 8 HB2 ALA 8 50.161 -8.537 5.322 63 HB3 ALA 8 HB3 ALA 8 48.777 -7.524 5.731 64 H GLU 9 HN GLU 9 52.608 -8.214 5.747 65 HA GLU 9 HA GLU 9 53.424 -9.693 8.057 66 HB2 GLU 9 HB2 GLU 9 55.208 -8.834 5.764 67 HB3 GLU 9 HB1 GLU 9 55.403 -10.247 6.801 68 HG2 GLU 9 HG2 GLU 9 53.307 -11.194 5.930 69 HG3 GLU 9 HG1 GLU 9 53.081 -9.774 4.909 70 H1U RCY 10 H1U RCY 10 57.653 -4.106 1.295 71 H1S RCY 10 H1S RCY 10 57.091 -4.226 5.677 72 HB1 RCY 10 HB1 RCY 10 56.493 -4.021 8.266 73 HB2 RCY 10 HB2 RCY 10 55.425 -4.463 6.936 74 HA RCY 10 HA RCY 10 55.716 -6.059 9.500 75 HN1 RCY 10 HN1 RCY 10 53.655 -6.399 7.358 76 H ARG 11 HN ARG 11 55.100 -3.040 8.698 77 HA ARG 11 HA ARG 11 52.450 -2.381 9.267 78 HE ARG 11 HE ARG 11 52.590 -3.033 14.350 79 HB2 ARG 11 HB2 ARG 11 53.826 -3.469 11.605 80 HB3 ARG 11 HB1 ARG 11 53.275 -1.823 11.900 81 HG2 ARG 11 HG2 ARG 11 51.024 -2.371 11.540 82 HG3 ARG 11 HG1 ARG 11 51.424 -3.816 10.610 83 HD2 ARG 11 HD2 ARG 11 50.654 -4.574 12.755 84 HD3 ARG 11 HD1 ARG 11 52.405 -4.784 12.744 85 HH11 ARG 11 HH21 ARG 11 49.416 -3.381 13.051 86 HH12 ARG 11 HH22 ARG 11 48.678 -2.343 14.225 87 HH21 ARG 11 HH11 ARG 11 51.645 -1.676 15.891 88 HH22 ARG 11 HH12 ARG 11 49.939 -1.378 15.833 89 H SER 12 HN SER 12 52.459 -0.140 10.669 90 HA SER 12 HA SER 12 53.779 1.783 9.144 91 HG SER 12 HG SER 12 51.566 1.535 10.084 92 HB2 SER 12 HB2 SER 12 53.162 2.010 12.103 93 HB3 SER 12 HB1 SER 12 53.379 3.348 10.978 94 H ALA 13 HN ALA 13 55.695 3.080 9.563 95 HA ALA 13 HA ALA 13 57.583 2.625 11.614 96 HB1 ALA 13 HB1 ALA 13 58.064 0.433 10.977 97 HB2 ALA 13 HB2 ALA 13 59.257 1.323 10.033 98 HB3 ALA 13 HB3 ALA 13 57.771 0.758 9.268 99 H THR 14 HN THR 14 56.778 3.636 8.403 100 HA THR 14 HA THR 14 58.375 6.019 8.615 101 HB THR 14 HB THR 14 60.323 4.828 8.092 102 HG1 THR 14 HG1 THR 14 59.927 6.458 6.536 103 HG21 THR 14 HG21 THR 14 59.473 2.631 7.777 104 HG22 THR 14 HG22 THR 14 60.271 3.036 6.257 105 HG23 THR 14 HG23 THR 14 58.514 3.121 6.380 106 H ARG 15 HN ARG 15 57.073 7.435 7.566 107 HA ARG 15 HA ARG 15 55.004 6.645 5.758 108 HE ARG 15 HE ARG 15 55.657 6.464 8.371 109 HB2 ARG 15 HB2 ARG 15 56.243 9.401 5.859 110 HB3 ARG 15 HB1 ARG 15 54.577 8.972 5.470 111 HG2 ARG 15 HG2 ARG 15 55.932 8.711 8.169 112 HG3 ARG 15 HG1 ARG 15 54.634 9.826 7.743 113 HD2 ARG 15 HD2 ARG 15 53.481 8.076 8.802 114 HD3 ARG 15 HD1 ARG 15 53.317 7.671 7.093 115 HH11 ARG 15 HH21 ARG 15 52.299 6.256 7.622 116 HH12 ARG 15 HH22 ARG 15 52.247 4.527 7.724 117 HH21 ARG 15 HH11 ARG 15 55.610 4.209 8.509 118 HH22 ARG 15 HH12 ARG 15 54.122 3.368 8.227 119 H VAL 16 HN VAL 16 56.448 5.263 4.353 120 HA VAL 16 HA VAL 16 57.940 4.967 2.518 121 HB VAL 16 HB VAL 16 56.915 6.032 0.482 122 HG11 VAL 16 HG11 VAL 16 56.081 3.888 1.394 123 HG12 VAL 16 HG12 VAL 16 54.770 4.838 0.693 124 HG13 VAL 16 HG13 VAL 16 54.973 4.772 2.444 125 HG21 VAL 16 HG21 VAL 16 54.948 7.186 2.479 126 HG22 VAL 16 HG22 VAL 16 54.956 7.423 0.731 127 HG23 VAL 16 HG23 VAL 16 56.232 8.129 1.723 128 H MET 17 HN MET 17 59.350 6.602 4.120 129 HA MET 17 HA MET 17 61.145 8.111 4.017 130 HB2 MET 17 HB2 MET 17 61.211 7.111 1.583 131 HB3 MET 17 HB1 MET 17 60.541 8.676 1.122 132 HG2 MET 17 HG2 MET 17 62.451 9.708 2.508 133 HG3 MET 17 HG1 MET 17 63.177 8.101 2.480 134 HE1 MET 17 HE1 MET 17 64.792 10.428 1.420 135 HE2 MET 17 HE2 MET 17 63.336 11.356 1.067 136 HE3 MET 17 HE3 MET 17 64.488 11.011 -0.221 137 H GLY 18 HN GLY 18 58.544 9.288 1.847 138 HA2 GLY 18 HA2 GLY 18 57.382 11.226 3.393 139 HA3 GLY 18 HA1 GLY 18 58.865 12.019 2.855 140 H GLY 19 HN GLY 19 58.675 13.137 0.977 141 HA2 GLY 19 HA2 GLY 19 56.295 13.159 -0.590 142 HA3 GLY 19 HA1 GLY 19 57.846 13.819 -1.113 143 HA PRO 20 HA PRO 20 56.489 10.087 -3.754 144 HB2 PRO 20 HB2 PRO 20 57.835 11.929 -5.695 145 HB3 PRO 20 HB1 PRO 20 56.383 10.932 -5.910 146 HG2 PRO 20 HG2 PRO 20 56.233 13.568 -5.527 147 HG3 PRO 20 HG1 PRO 20 55.019 12.456 -4.874 148 HD2 PRO 20 HD2 PRO 20 57.147 13.963 -3.440 149 HD3 PRO 20 HD1 PRO 20 55.580 13.375 -2.842 150 H1U RCY 21 H1U RCY 21 61.262 1.861 0.117 151 H1S RCY 21 H1S RCY 21 60.182 5.167 -3.087 152 HB1 RCY 21 HB1 RCY 21 59.957 6.589 -5.314 153 HB2 RCY 21 HB2 RCY 21 59.318 7.125 -3.760 154 HA RCY 21 HA RCY 21 60.911 9.225 -4.290 155 HN1 RCY 21 HN1 RCY 21 58.162 9.036 -5.457 156 H THR 22 HN THR 22 61.772 10.389 -6.026 157 HA THR 22 HA THR 22 61.380 9.306 -8.763 158 HB THR 22 HB THR 22 62.370 11.389 -9.534 159 HG1 THR 22 HG1 THR 22 63.920 11.574 -7.868 160 HG21 THR 22 HG21 THR 22 60.688 12.899 -8.804 161 HG22 THR 22 HG22 THR 22 60.566 12.121 -7.226 162 HG23 THR 22 HG23 THR 22 59.957 11.300 -8.663 163 HA PRO 23 HA PRO 23 65.133 6.904 -8.730 164 HB2 PRO 23 HB2 PRO 23 65.540 8.297 -11.359 165 HB3 PRO 23 HB1 PRO 23 65.720 6.577 -10.959 166 HG2 PRO 23 HG2 PRO 23 63.553 7.527 -12.216 167 HG3 PRO 23 HG1 PRO 23 63.466 6.179 -11.071 168 HD2 PRO 23 HD2 PRO 23 62.467 8.943 -10.765 169 HD3 PRO 23 HD1 PRO 23 62.011 7.476 -9.872 170 H ARG 24 HN ARG 24 67.161 7.335 -7.920 171 HA ARG 24 HA ARG 24 68.209 10.132 -8.200 172 HE ARG 24 HE ARG 24 65.032 9.719 -3.424 173 HB2 ARG 24 HB2 ARG 24 68.635 8.246 -5.863 174 HB3 ARG 24 HB1 ARG 24 69.156 9.928 -5.973 175 HG2 ARG 24 HG2 ARG 24 66.866 10.704 -6.015 176 HG3 ARG 24 HG1 ARG 24 66.260 9.051 -6.129 177 HD2 ARG 24 HD2 ARG 24 67.028 8.530 -3.911 178 HD3 ARG 24 HD1 ARG 24 67.922 10.046 -3.802 179 HH11 ARG 24 HH21 ARG 24 67.688 11.790 -4.163 180 HH12 ARG 24 HH22 ARG 24 66.870 13.235 -3.671 181 HH21 ARG 24 HH11 ARG 24 63.949 11.594 -2.777 182 HH22 ARG 24 HH12 ARG 24 64.753 13.125 -2.887 183 H LYS 25 HN LYS 25 69.921 10.048 -9.575 184 HA LYS 25 HA LYS 25 71.806 9.195 -10.706 185 HB2 LYS 25 HB2 LYS 25 72.566 8.142 -7.975 186 HB3 LYS 25 HB1 LYS 25 73.635 8.701 -9.258 187 HG2 LYS 25 HG2 LYS 25 73.615 10.715 -8.228 188 HG3 LYS 25 HG1 LYS 25 71.955 10.880 -8.801 189 HD2 LYS 25 HD2 LYS 25 71.668 11.181 -6.509 190 HD3 LYS 25 HD1 LYS 25 71.390 9.446 -6.662 191 HE2 LYS 25 HE2 LYS 25 74.091 10.658 -6.022 192 HE3 LYS 25 HE1 LYS 25 72.967 10.074 -4.795 193 HZ1 LYS 25 HZ1 LYS 25 72.988 7.905 -5.974 194 HZ2 LYS 25 HZ2 LYS 25 74.485 8.334 -5.295 195 HZ3 LYS 25 HZ3 LYS 25 74.230 8.496 -6.967 196 H GLY 26 HN GLY 26 70.847 7.538 -11.975 197 HA2 GLY 26 HA2 GLY 26 70.479 4.865 -10.807 198 HA3 GLY 26 HA1 GLY 26 70.150 5.318 -12.480 199 HA PRO 27 HA PRO 27 73.868 3.748 -14.204 200 HB2 PRO 27 HB2 PRO 27 74.937 6.535 -14.474 201 HB3 PRO 27 HB1 PRO 27 74.838 5.245 -15.689 202 HG2 PRO 27 HG2 PRO 27 73.121 7.295 -15.654 203 HG3 PRO 27 HG1 PRO 27 72.639 5.667 -16.157 204 HD2 PRO 27 HD2 PRO 27 71.939 7.142 -13.682 205 HD3 PRO 27 HD1 PRO 27 71.086 5.801 -14.475 206 HA PRO 28 HA PRO 28 76.942 3.240 -11.045 207 HB2 PRO 28 HB2 PRO 28 78.977 3.843 -13.161 208 HB3 PRO 28 HB1 PRO 28 78.905 2.484 -12.023 209 HG2 PRO 28 HG2 PRO 28 78.219 2.225 -14.600 210 HG3 PRO 28 HG1 PRO 28 77.428 1.305 -13.310 211 HD2 PRO 28 HD2 PRO 28 76.358 3.541 -14.934 212 HD3 PRO 28 HD1 PRO 28 75.485 2.276 -14.043 213 H LYS 29 HN LYS 29 78.628 4.499 -9.868 214 HA LYS 29 HA LYS 29 78.276 7.421 -10.328 215 HB2 LYS 29 HB2 LYS 29 79.353 5.885 -7.942 216 HB3 LYS 29 HB1 LYS 29 79.193 7.639 -8.022 217 HG2 LYS 29 HG2 LYS 29 76.801 5.925 -8.614 218 HG3 LYS 29 HG1 LYS 29 77.269 6.200 -6.936 219 HD2 LYS 29 HD2 LYS 29 77.115 8.556 -8.779 220 HD3 LYS 29 HD1 LYS 29 75.611 7.868 -8.163 221 HE2 LYS 29 HE2 LYS 29 76.294 8.206 -5.883 222 HE3 LYS 29 HE1 LYS 29 77.935 8.626 -6.376 223 HZ1 LYS 29 HZ1 LYS 29 75.716 10.197 -7.462 224 HZ2 LYS 29 HZ2 LYS 29 77.303 10.675 -7.089 225 HZ3 LYS 29 HZ3 LYS 29 76.163 10.463 -5.847 226 H1U RCY 30 H1U RCY 30 77.181 6.264 -8.956 227 H1S RCY 30 H1S RCY 30 78.887 7.558 -12.941 228 HB1 RCY 30 HB1 RCY 30 83.369 7.473 -12.874 229 HB2 RCY 30 HB2 RCY 30 82.441 8.262 -11.598 230 HA RCY 30 HA RCY 30 82.477 5.326 -12.331 231 HN1 RCY 30 HN1 RCY 30 80.269 5.267 -11.542 232 H LYS 31 HN LYS 31 81.932 4.803 -9.483 233 HA LYS 31 HA LYS 31 84.539 5.727 -8.326 234 HB2 LYS 31 HB2 LYS 31 81.864 5.225 -7.003 235 HB3 LYS 31 HB1 LYS 31 83.369 5.348 -6.091 236 HG2 LYS 31 HG2 LYS 31 83.753 7.597 -6.935 237 HG3 LYS 31 HG1 LYS 31 82.342 7.479 -7.987 238 HD2 LYS 31 HD2 LYS 31 80.835 7.528 -6.172 239 HD3 LYS 31 HD1 LYS 31 82.089 7.106 -5.005 240 HE2 LYS 31 HE2 LYS 31 81.262 9.606 -5.213 241 HE3 LYS 31 HE1 LYS 31 82.974 9.257 -4.972 242 HZ1 LYS 31 HZ1 LYS 31 82.074 10.791 -6.931 243 HZ2 LYS 31 HZ2 LYS 31 82.035 9.289 -7.724 244 HZ3 LYS 31 HZ3 LYS 31 83.490 9.867 -7.063 245 H GLN 32 HN GLN 32 85.536 3.806 -9.262 246 HA GLN 32 HA GLN 32 85.097 1.411 -7.560 247 HB2 GLN 32 HB2 GLN 32 83.865 1.363 -9.910 248 HB3 GLN 32 HB1 GLN 32 85.479 0.987 -10.510 249 HG2 GLN 32 HG2 GLN 32 85.618 -0.873 -8.847 250 HG3 GLN 32 HG1 GLN 32 83.951 -0.537 -8.379 251 HE21 GLN 32 HE21 GLN 32 83.053 0.108 -11.124 252 HE22 GLN 32 HE22 GLN 32 83.016 -1.361 -11.974 253 H ARG 33 HN ARG 33 87.178 3.293 -7.416 254 HA ARG 33 HA ARG 33 89.485 1.550 -8.026 255 HE ARG 33 HE ARG 33 87.188 1.496 -12.163 256 HB2 ARG 33 HB2 ARG 33 89.078 4.299 -9.219 257 HB3 ARG 33 HB1 ARG 33 90.695 3.653 -8.959 258 HG2 ARG 33 HG2 ARG 33 90.443 2.697 -11.006 259 HG3 ARG 33 HG1 ARG 33 89.415 1.531 -10.172 260 HD2 ARG 33 HD2 ARG 33 87.494 3.195 -10.563 261 HD3 ARG 33 HD1 ARG 33 88.576 3.996 -11.703 262 HH11 ARG 33 HH21 ARG 33 90.069 3.299 -12.738 263 HH12 ARG 33 HH22 ARG 33 90.431 2.499 -14.231 264 HH21 ARG 33 HH11 ARG 33 87.643 0.441 -14.109 265 HH22 ARG 33 HH12 ARG 33 89.057 0.881 -15.007 266 H GLN 34 HN GLN 34 89.092 1.603 -5.579 267 HA GLN 34 HA GLN 34 90.442 3.994 -4.376 268 HB2 GLN 34 HB2 GLN 34 88.338 2.136 -3.242 269 HB3 GLN 34 HB1 GLN 34 89.259 3.266 -2.250 270 HG2 GLN 34 HG2 GLN 34 88.487 5.083 -3.900 271 HG3 GLN 34 HG1 GLN 34 87.319 3.895 -4.479 272 HE21 GLN 34 HE21 GLN 34 85.432 4.948 -3.611 273 HE22 GLN 34 HE22 GLN 34 85.163 5.102 -1.942 274 H THR 35 HN THR 35 89.756 0.733 -3.150 275 HA THR 35 HA THR 35 92.644 0.090 -3.148 276 HB THR 35 HB THR 35 92.671 -0.403 -0.743 277 HG1 THR 35 HG1 THR 35 90.902 -0.009 0.500 278 HG21 THR 35 HG21 THR 35 92.753 1.846 0.060 279 HG22 THR 35 HG22 THR 35 91.567 2.385 -1.128 280 HG23 THR 35 HG23 THR 35 93.188 1.923 -1.647 281 H ARG 36 HN ARG 36 89.301 -0.816 -2.913 282 HA ARG 36 HA ARG 36 88.246 -2.900 -3.097 283 HE ARG 36 HE ARG 36 87.970 -6.869 -6.816 284 HB2 ARG 36 HB2 ARG 36 89.604 -2.838 -5.225 285 HB3 ARG 36 HB1 ARG 36 90.858 -3.745 -4.380 286 HG2 ARG 36 HG2 ARG 36 89.455 -5.638 -4.097 287 HG3 ARG 36 HG1 ARG 36 88.001 -4.720 -4.489 288 HD2 ARG 36 HD2 ARG 36 88.571 -4.590 -6.791 289 HD3 ARG 36 HD1 ARG 36 90.237 -5.082 -6.487 290 HH11 ARG 36 HH21 ARG 36 91.015 -6.347 -5.285 291 HH12 ARG 36 HH22 ARG 36 91.367 -8.034 -5.112 292 HH21 ARG 36 HH11 ARG 36 88.413 -9.075 -6.599 293 HH22 ARG 36 HH12 ARG 36 89.894 -9.579 -5.856 294 H GLN 37 HN GLN 37 88.799 -2.774 -0.608 295 HA GLN 37 HA GLN 37 89.529 -5.407 0.248 296 HB2 GLN 37 HB2 GLN 37 91.814 -4.781 -0.233 297 HB3 GLN 37 HB1 GLN 37 91.618 -3.236 0.593 298 HG2 GLN 37 HG2 GLN 37 92.820 -4.978 1.962 299 HG3 GLN 37 HG1 GLN 37 91.368 -4.338 2.734 300 HE21 GLN 37 HE21 GLN 37 91.372 -6.689 0.046 301 HE22 GLN 37 HE22 GLN 37 90.696 -7.962 0.943 302 H1U RCY 38 H1U RCY 38 85.087 -0.260 2.682 303 H1S RCY 38 H1S RCY 38 84.670 -3.160 5.549 304 HB1 RCY 38 HB1 RCY 38 86.838 -6.040 3.684 305 HB2 RCY 38 HB2 RCY 38 86.058 -4.508 3.292 306 HA RCY 38 HA RCY 38 87.994 -3.253 3.862 307 HN1 RCY 38 HN1 RCY 38 88.998 -5.698 2.447 308 H LYS 39 HN LYS 39 89.515 -6.438 4.179 309 HA LYS 39 HA LYS 39 89.928 -6.205 7.040 310 HB2 LYS 39 HB2 LYS 39 90.550 -8.123 4.920 311 HB3 LYS 39 HB1 LYS 39 91.895 -7.947 6.044 312 HG2 LYS 39 HG2 LYS 39 90.446 -9.682 6.901 313 HG3 LYS 39 HG1 LYS 39 90.252 -8.265 7.934 314 HD2 LYS 39 HD2 LYS 39 88.176 -7.681 6.913 315 HD3 LYS 39 HD1 LYS 39 88.432 -8.810 5.582 316 HE2 LYS 39 HE2 LYS 39 86.840 -9.491 7.555 317 HE3 LYS 39 HE1 LYS 39 87.967 -10.681 6.904 318 HZ1 LYS 39 HZ1 LYS 39 89.302 -10.557 8.722 319 HZ2 LYS 39 HZ2 LYS 39 87.816 -10.200 9.464 320 HZ3 LYS 39 HZ3 LYS 39 88.895 -8.948 9.071 321 H SER 40 HN SER 40 90.835 -3.982 5.187 322 HA SER 40 HA SER 40 93.760 -4.010 5.478 323 HG SER 40 HG SER 40 93.417 -3.997 3.435 324 HB2 SER 40 HB2 SER 40 91.749 -2.161 4.239 325 HB3 SER 40 HB1 SER 40 93.355 -1.545 4.620 326 H LYS 41 HN LYS 41 91.044 -2.033 6.756 327 HA LYS 41 HA LYS 41 92.635 -1.626 9.223 328 HB2 LYS 41 HB2 LYS 41 91.484 0.911 8.649 329 HB3 LYS 41 HB1 LYS 41 93.197 0.502 8.712 330 HG2 LYS 41 HG2 LYS 41 93.258 -0.017 6.378 331 HG3 LYS 41 HG1 LYS 41 91.499 0.004 6.258 332 HD2 LYS 41 HD2 LYS 41 91.545 2.436 6.877 333 HD3 LYS 41 HD1 LYS 41 93.307 2.376 6.798 334 HE2 LYS 41 HE2 LYS 41 92.410 3.198 4.671 335 HE3 LYS 41 HE1 LYS 41 93.152 1.615 4.436 336 HZ1 LYS 41 HZ1 LYS 41 91.225 0.952 3.603 337 HZ2 LYS 41 HZ2 LYS 41 90.459 2.406 4.033 338 HZ3 LYS 41 HZ3 LYS 41 90.535 1.123 5.143 339 HA PRO 42 HA PRO 42 88.659 -1.950 11.103 340 HB2 PRO 42 HB2 PRO 42 88.955 -0.440 13.359 341 HB3 PRO 42 HB1 PRO 42 89.762 -2.003 13.132 342 HG2 PRO 42 HG2 PRO 42 90.855 0.746 12.841 343 HG3 PRO 42 HG1 PRO 42 91.616 -0.709 13.505 344 HD2 PRO 42 HD2 PRO 42 92.104 0.247 10.964 345 HD3 PRO 42 HD1 PRO 42 92.297 -1.456 11.434 346 HA PRO 43 HA PRO 43 86.093 1.509 10.043 347 HB2 PRO 43 HB2 PRO 43 83.992 1.199 11.768 348 HB3 PRO 43 HB1 PRO 43 84.273 0.123 10.385 349 HG2 PRO 43 HG2 PRO 43 84.907 -0.301 13.263 350 HG3 PRO 43 HG1 PRO 43 84.270 -1.442 12.066 351 HD2 PRO 43 HD2 PRO 43 86.905 -1.392 12.821 352 HD3 PRO 43 HD1 PRO 43 86.366 -1.930 11.215 353 H LYS 44 HN LYS 44 86.307 3.655 10.546 354 HA LYS 44 HA LYS 44 87.572 4.662 12.822 355 HB2 LYS 44 HB2 LYS 44 86.898 5.864 10.618 356 HB3 LYS 44 HB1 LYS 44 85.393 6.237 11.459 357 HG2 LYS 44 HG2 LYS 44 86.702 7.254 13.308 358 HG3 LYS 44 HG1 LYS 44 88.186 6.935 12.410 359 HD2 LYS 44 HD2 LYS 44 87.598 8.453 10.683 360 HD3 LYS 44 HD1 LYS 44 85.914 8.519 11.205 361 HE2 LYS 44 HE2 LYS 44 88.293 9.583 12.759 362 HE3 LYS 44 HE1 LYS 44 87.105 10.559 11.894 363 HZ1 LYS 44 HZ1 LYS 44 85.860 10.518 13.705 364 HZ2 LYS 44 HZ2 LYS 44 86.945 9.475 14.492 365 HZ3 LYS 44 HZ3 LYS 44 85.688 8.839 13.543 366 H LYS 45 HN LYS 45 84.595 3.135 12.809 367 HA LYS 45 HA LYS 45 82.991 2.877 14.504 368 HB2 LYS 45 HB2 LYS 45 85.234 3.156 15.883 369 HB3 LYS 45 HB1 LYS 45 84.545 4.724 16.297 370 HG2 LYS 45 HG2 LYS 45 82.493 3.613 17.104 371 HG3 LYS 45 HG1 LYS 45 83.183 2.042 16.694 372 HD2 LYS 45 HD2 LYS 45 83.767 2.157 18.931 373 HD3 LYS 45 HD1 LYS 45 85.187 2.914 18.208 374 HE2 LYS 45 HE2 LYS 45 84.540 4.395 19.946 375 HE3 LYS 45 HE1 LYS 45 83.923 5.140 18.471 376 HZ1 LYS 45 HZ1 LYS 45 82.491 4.092 20.717 377 HZ2 LYS 45 HZ2 LYS 45 81.929 3.458 19.244 378 HZ3 LYS 45 HZ3 LYS 45 81.962 5.138 19.491 379 H GLY 46 HN GLY 46 81.336 4.052 13.480 380 HA2 GLY 46 HA2 GLY 46 81.276 6.993 13.799 381 HA3 GLY 46 HA1 GLY 46 80.148 6.036 12.838 382 H VAL 47 HN VAL 47 78.332 7.064 13.862 383 HA VAL 47 HA VAL 47 77.998 6.996 16.744 384 HB VAL 47 HB VAL 47 76.025 7.457 14.487 385 HG11 VAL 47 HG11 VAL 47 74.684 8.498 16.436 386 HG12 VAL 47 HG12 VAL 47 75.727 7.542 17.490 387 HG13 VAL 47 HG13 VAL 47 74.693 6.739 16.308 388 HG21 VAL 47 HG21 VAL 47 76.309 9.780 14.971 389 HG22 VAL 47 HG22 VAL 47 77.939 9.109 14.915 390 HG23 VAL 47 HG23 VAL 47 77.173 9.435 16.469 391 H GLN 48 HN GLN 48 77.814 4.615 14.367 392 HA GLN 48 HA GLN 48 76.583 2.743 16.275 393 HB2 GLN 48 HB2 GLN 48 75.072 1.949 14.247 394 HB3 GLN 48 HB1 GLN 48 74.531 3.259 15.297 395 HG2 GLN 48 HG2 GLN 48 74.297 3.799 12.866 396 HG3 GLN 48 HG1 GLN 48 75.351 4.925 13.723 397 HE21 GLN 48 HE21 GLN 48 75.528 1.905 11.760 398 HE22 GLN 48 HE22 GLN 48 77.040 2.263 11.078 399 H GLY 49 HN GLY 49 78.638 3.506 13.702 400 HA2 GLY 49 HA2 GLY 49 80.473 1.685 13.538 401 HA3 GLY 49 HA1 GLY 49 79.135 0.627 13.076 402 H1U RCY 50 H1U RCY 50 84.269 4.245 6.327 403 H1S RCY 50 H1S RCY 50 80.847 3.387 8.404 404 HB1 RCY 50 HB1 RCY 50 78.644 5.196 9.427 405 HB2 RCY 50 HB2 RCY 50 78.073 3.687 10.134 406 HA RCY 50 HA RCY 50 80.712 3.128 9.412 407 HN1 RCY 50 HN1 RCY 50 80.357 3.873 12.183 408 H GLY 51 HN GLY 51 80.232 5.762 8.348 409 HA2 GLY 51 HA2 GLY 51 82.552 7.145 9.549 410 HA3 GLY 51 HA1 GLY 51 81.780 7.563 8.017 411 H ASP 52 HN ASP 52 79.076 7.566 9.085 412 HA ASP 52 HA ASP 52 77.604 9.203 9.912 413 HB2 ASP 52 HB2 ASP 52 78.552 8.021 12.001 414 HB3 ASP 52 HB1 ASP 52 79.565 9.451 12.198 415 H ASP 53 HN ASP 53 78.148 10.763 8.239 416 HA ASP 53 HA ASP 53 79.085 13.282 9.296 417 HB2 ASP 53 HB2 ASP 53 81.259 12.061 8.948 418 HB3 ASP 53 HB1 ASP 53 80.873 11.970 7.229 419 H ILE 54 HN ILE 54 79.442 11.881 6.033 420 HA ILE 54 HA ILE 54 77.534 13.953 5.035 421 HB ILE 54 HB ILE 54 79.401 12.256 3.374 422 HG12 ILE 54 HG12 ILE 54 79.918 14.938 4.698 423 HG13 ILE 54 HG11 ILE 54 80.771 13.428 5.022 424 HG21 ILE 54 HG21 ILE 54 78.308 15.031 2.863 425 HG22 ILE 54 HG22 ILE 54 77.452 13.572 2.363 426 HG23 ILE 54 HG23 ILE 54 79.049 13.927 1.704 427 HD11 ILE 54 HD11 ILE 54 80.825 15.091 2.499 428 HD12 ILE 54 HD12 ILE 54 81.378 13.416 2.530 429 HD13 ILE 54 HD13 ILE 54 82.182 14.629 3.527 430 HA PRO 55 HA PRO 55 75.025 9.979 5.255 431 HB2 PRO 55 HB2 PRO 55 72.974 11.906 4.347 432 HB3 PRO 55 HB1 PRO 55 72.951 10.808 5.735 433 HG2 PRO 55 HG2 PRO 55 73.485 13.585 5.734 434 HG3 PRO 55 HG1 PRO 55 73.552 12.466 7.099 435 HD2 PRO 55 HD2 PRO 55 75.749 13.800 5.940 436 HD3 PRO 55 HD1 PRO 55 75.834 12.436 7.077 437 H GLY 56 HN GLY 56 75.879 8.961 3.432 438 HA2 GLY 56 HA2 GLY 56 76.418 9.427 0.920 439 HA3 GLY 56 HA1 GLY 56 75.311 8.096 1.234 440 H MET 57 HN MET 57 75.393 11.579 0.538 441 HA MET 57 HA MET 57 73.621 12.970 -0.257 442 HB2 MET 57 HB2 MET 57 74.087 10.749 -2.246 443 HB3 MET 57 HB1 MET 57 72.981 12.077 -2.598 444 HG2 MET 57 HG2 MET 57 75.849 12.495 -1.720 445 HG3 MET 57 HG1 MET 57 75.352 12.437 -3.412 446 HE1 MET 57 HE1 MET 57 75.848 16.048 -1.168 447 HE2 MET 57 HE2 MET 57 76.807 14.631 -1.589 448 HE3 MET 57 HE3 MET 57 75.691 14.559 -0.228 449 H GLU 58 HN GLU 58 72.529 11.191 1.695 450 HA GLU 58 HA GLU 58 69.772 10.997 0.629 451 HB2 GLU 58 HB2 GLU 58 70.861 8.754 0.294 452 HB3 GLU 58 HB1 GLU 58 71.099 8.661 2.038 453 HG2 GLU 58 HG2 GLU 58 69.054 7.478 1.495 454 HG3 GLU 58 HG1 GLU 58 68.619 8.972 2.325 455 H GLY 59 HN GLY 59 70.900 9.418 3.567 456 HA2 GLY 59 HA2 GLY 59 70.696 11.495 5.432 457 HA3 GLY 59 HA1 GLY 59 69.046 10.922 5.187 458 H1U RCY 60 H1U RCY 60 68.928 11.605 6.624 459 H1S RCY 60 H1S RCY 60 68.557 7.528 6.308 460 HB1 RCY 60 HB1 RCY 60 72.304 5.733 6.369 461 HB2 RCY 60 HB2 RCY 60 71.446 6.644 5.128 462 HA RCY 60 HA RCY 60 71.281 7.839 7.819 463 HN1 RCY 60 HN1 RCY 60 72.208 9.261 5.398 464 H GLY 61 HN GLY 61 73.309 5.956 7.976 465 HA2 GLY 61 HA2 GLY 61 75.718 7.711 8.139 466 HA3 GLY 61 HA1 GLY 61 75.430 6.308 9.169 467 H THR 62 HN THR 62 76.744 7.394 6.171 468 HA THR 62 HA THR 62 78.226 4.990 5.755 469 HB THR 62 HB THR 62 76.272 3.860 5.054 470 HG1 THR 62 HG1 THR 62 76.688 4.670 2.518 471 HG21 THR 62 HG21 THR 62 75.548 6.505 3.798 472 HG22 THR 62 HG22 THR 62 74.645 5.573 4.993 473 HG23 THR 62 HG23 THR 62 74.739 5.011 3.324 474 H ASP 63 HN ASP 63 78.772 7.760 5.750 475 HA ASP 63 HA ASP 63 78.920 8.817 3.066 476 HB2 ASP 63 HB2 ASP 63 80.612 10.394 4.120 477 HB3 ASP 63 HB1 ASP 63 79.030 10.372 4.897 478 H ILE 64 HN ILE 64 79.815 6.410 2.498 479 HA ILE 64 HA ILE 64 81.637 5.154 1.752 480 HB ILE 64 HB ILE 64 82.808 7.935 1.496 481 HG12 ILE 64 HG12 ILE 64 82.180 7.483 -0.951 482 HG13 ILE 64 HG11 ILE 64 81.207 6.144 -0.342 483 HG21 ILE 64 HG21 ILE 64 83.711 5.221 0.533 484 HG22 ILE 64 HG22 ILE 64 84.652 6.462 1.361 485 HG23 ILE 64 HG23 ILE 64 84.175 6.693 -0.321 486 HD11 ILE 64 HD11 ILE 64 79.688 7.538 0.700 487 HD12 ILE 64 HD12 ILE 64 80.170 8.583 -0.636 488 HD13 ILE 64 HD13 ILE 64 80.879 8.812 0.963 489 H THR 65 HN THR 65 81.933 4.245 3.892 490 HA THR 65 HA THR 65 83.795 5.455 5.761 491 HB THR 65 HB THR 65 82.804 2.591 5.526 492 HG1 THR 65 HG1 THR 65 81.313 4.414 5.996 493 HG21 THR 65 HG21 THR 65 83.483 3.011 8.147 494 HG22 THR 65 HG22 THR 65 84.734 3.927 7.308 495 HG23 THR 65 HG23 THR 65 84.518 2.210 6.965 496 H VAL 66 HN VAL 66 84.883 5.499 3.242 497 HA VAL 66 HA VAL 66 86.930 5.070 2.202 498 HB VAL 66 HB VAL 66 87.668 3.071 4.322 499 HG11 VAL 66 HG11 VAL 66 89.874 4.117 4.019 500 HG12 VAL 66 HG12 VAL 66 89.169 5.312 2.931 501 HG13 VAL 66 HG13 VAL 66 89.215 3.613 2.463 502 HG21 VAL 66 HG21 VAL 66 87.011 5.942 4.731 503 HG22 VAL 66 HG22 VAL 66 88.516 5.379 5.458 504 HG23 VAL 66 HG23 VAL 66 86.988 4.609 5.885 505 H ILE 67 HN ILE 67 84.690 2.634 3.152 506 HA ILE 67 HA ILE 67 85.537 1.001 0.803 507 HB ILE 67 HB ILE 67 85.072 0.034 3.625 508 HG12 ILE 67 HG12 ILE 67 87.088 -1.422 2.761 509 HG13 ILE 67 HG11 ILE 67 87.214 -0.169 1.525 510 HG21 ILE 67 HG21 ILE 67 85.161 -2.293 2.425 511 HG22 ILE 67 HG22 ILE 67 84.579 -1.394 1.024 512 HG23 ILE 67 HG23 ILE 67 83.625 -1.430 2.507 513 HD11 ILE 67 HD11 ILE 67 88.313 -0.040 4.071 514 HD12 ILE 67 HD12 ILE 67 86.851 0.935 4.211 515 HD13 ILE 67 HD13 ILE 67 88.061 1.331 2.990 516 H1U RCY 68 H1U RCY 68 75.352 3.481 -1.391 517 H1S RCY 68 H1S RCY 68 79.029 1.902 -0.006 518 HB1 RCY 68 HB1 RCY 68 80.414 1.998 -1.626 519 HB2 RCY 68 HB2 RCY 68 82.049 2.641 -1.518 520 HA RCY 68 HA RCY 68 81.082 0.782 0.632 521 HN1 RCY 68 HN1 RCY 68 83.805 1.206 -0.546 522 HA PRO 69 HA PRO 69 80.473 -2.890 -1.705 523 HB2 PRO 69 HB2 PRO 69 78.334 -1.472 -3.254 524 HB3 PRO 69 HB1 PRO 69 78.287 -3.064 -2.467 525 HG2 PRO 69 HG2 PRO 69 77.140 -0.942 -1.353 526 HG3 PRO 69 HG1 PRO 69 77.975 -2.155 -0.368 527 HD2 PRO 69 HD2 PRO 69 78.833 0.616 -1.058 528 HD3 PRO 69 HD1 PRO 69 79.226 -0.364 0.371 529 H TRP 70 HN TRP 70 80.542 0.069 -3.650 530 HA TRP 70 HA TRP 70 81.342 -1.381 -6.061 531 HD1 TRP 70 HD1 TRP 70 79.995 -1.167 -7.873 532 HE1 TRP 70 HE1 TRP 70 77.479 -0.839 -8.324 533 HE3 TRP 70 HE3 TRP 70 79.106 2.934 -4.964 534 HZ2 TRP 70 HZ2 TRP 70 75.364 0.933 -7.552 535 HZ3 TRP 70 HZ3 TRP 70 76.839 3.920 -4.840 536 HH2 TRP 70 HH2 TRP 70 74.968 2.928 -6.127 537 HB2 TRP 70 HB2 TRP 70 81.125 1.547 -5.346 538 HB3 TRP 70 HB1 TRP 70 81.784 1.012 -6.890 539 H GLU 71 HN GLU 71 83.070 -1.766 -3.696 540 HA GLU 71 HA GLU 71 85.612 -0.997 -4.999 541 HB2 GLU 71 HB2 GLU 71 84.774 -0.065 -2.247 542 HB3 GLU 71 HB1 GLU 71 86.468 -0.183 -2.713 543 HG2 GLU 71 HG2 GLU 71 85.995 2.026 -3.298 544 HG3 GLU 71 HG1 GLU 71 85.682 1.194 -4.822 545 H ALA 72 HN ALA 72 84.948 -2.040 -1.664 546 HA ALA 72 HA ALA 72 86.971 -4.003 -1.607 547 HB1 ALA 72 HB1 ALA 72 85.904 -3.104 0.404 548 HB2 ALA 72 HB2 ALA 72 85.841 -4.864 0.398 549 HB3 ALA 72 HB3 ALA 72 84.403 -3.928 -0.011 550 H1U RCY 73 H1U RCY 73 80.299 -6.207 2.272 551 H1S RCY 73 H1S RCY 73 82.615 -6.814 0.783 552 HB1 RCY 73 HB1 RCY 73 84.329 -9.357 -0.945 553 HB2 RCY 73 HB2 RCY 73 82.849 -8.402 -0.892 554 HA RCY 73 HA RCY 73 85.246 -8.011 -2.513 555 HN1 RCY 73 HN1 RCY 73 85.125 -6.120 -0.475 556 H ASN 74 HN ASN 74 84.571 -7.206 -4.526 557 HA ASN 74 HA ASN 74 81.924 -6.034 -4.870 558 HB2 ASN 74 HB2 ASN 74 82.467 -5.974 -7.233 559 HB3 ASN 74 HB1 ASN 74 83.892 -5.472 -6.323 560 HD21 ASN 74 HD21 ASN 74 82.997 -7.424 -8.870 561 HD22 ASN 74 HD22 ASN 74 84.250 -8.567 -8.799 562 H HIS 75 HN HIS 75 83.419 -9.188 -5.677 563 HA HIS 75 HA HIS 75 80.879 -10.236 -6.666 564 HD1 HIS 75 HD1 HIS 75 81.546 -13.693 -7.969 565 HD2 HIS 75 HD2 HIS 75 82.671 -9.859 -9.165 566 HE1 HIS 75 HE1 HIS 75 81.056 -13.545 -10.449 567 HE2 HIS 75 HE2 HIS 75 81.737 -11.216 -11.190 568 HB2 HIS 75 HB2 HIS 75 83.655 -11.116 -6.584 569 HB3 HIS 75 HB1 HIS 75 82.575 -12.418 -6.094 570 H1U RCY 76 H1U RCY 76 81.286 -5.815 0.708 571 H1S RCY 76 H1S RCY 76 78.247 -9.395 -0.507 572 HB1 RCY 76 HB1 RCY 76 81.406 -10.413 -2.172 573 HB2 RCY 76 HB2 RCY 76 81.517 -11.554 -0.834 574 HA RCY 76 HA RCY 76 82.018 -13.152 -2.350 575 HN1 RCY 76 HN1 RCY 76 82.643 -12.237 -4.415 576 H GLU 77 HN GLU 77 79.206 -11.723 -4.034 577 HA GLU 77 HA GLU 77 77.219 -13.460 -3.100 578 HB2 GLU 77 HB2 GLU 77 76.849 -11.461 -4.569 579 HB3 GLU 77 HB1 GLU 77 77.450 -12.401 -5.933 580 HG2 GLU 77 HG2 GLU 77 75.025 -12.527 -5.928 581 HG3 GLU 77 HG1 GLU 77 75.666 -14.106 -5.470 582 H LEU 78 HN LEU 78 77.663 -14.002 -6.480 583 HA LEU 78 HA LEU 78 78.221 -15.936 -7.699 584 HG LEU 78 HG LEU 78 79.260 -18.101 -7.736 585 HB2 LEU 78 HB2 LEU 78 80.195 -15.894 -5.932 586 HB3 LEU 78 HB1 LEU 78 79.316 -17.251 -5.228 587 HD11 LEU 78 HD11 LEU 78 81.284 -17.460 -8.967 588 HD12 LEU 78 HD12 LEU 78 81.747 -16.364 -7.664 589 HD13 LEU 78 HD13 LEU 78 80.307 -16.031 -8.627 590 HD21 LEU 78 HD21 LEU 78 81.756 -18.202 -6.010 591 HD22 LEU 78 HD22 LEU 78 81.348 -19.344 -7.291 592 HD23 LEU 78 HD23 LEU 78 80.350 -19.254 -5.839 593 H HIS 79 HN HIS 79 75.655 -15.666 -6.728 594 HA HIS 79 HA HIS 79 74.796 -18.439 -6.582 595 HD1 HIS 79 HD1 HIS 79 72.276 -17.687 -2.934 596 HD2 HIS 79 HD2 HIS 79 74.086 -20.499 -5.427 597 HE1 HIS 79 HE1 HIS 79 70.896 -19.803 -2.746 598 HE2 HIS 79 HE2 HIS 79 71.988 -21.523 -4.259 599 HB2 HIS 79 HB2 HIS 79 75.494 -17.902 -4.203 600 HB3 HIS 79 HB1 HIS 79 74.201 -16.703 -4.172 601 H GLU 80 HN GLU 80 73.651 -15.162 -5.652 602 HA GLU 80 HA GLU 80 71.103 -15.726 -7.064 603 HB2 GLU 80 HB2 GLU 80 71.377 -14.675 -4.674 604 HB3 GLU 80 HB1 GLU 80 71.694 -13.187 -5.557 605 HG2 GLU 80 HG2 GLU 80 69.379 -13.075 -5.320 606 HG3 GLU 80 HG1 GLU 80 69.520 -13.864 -6.892 607 H LEU 81 HN LEU 81 71.598 -12.421 -6.965 608 HA LEU 81 HA LEU 81 71.698 -12.170 -9.821 609 HG LEU 81 HG LEU 81 69.930 -9.374 -8.301 610 HB2 LEU 81 HB2 LEU 81 72.060 -10.225 -7.542 611 HB3 LEU 81 HB1 LEU 81 72.262 -9.714 -9.217 612 HD11 LEU 81 HD11 LEU 81 69.683 -11.398 -10.477 613 HD12 LEU 81 HD12 LEU 81 70.712 -10.002 -10.793 614 HD13 LEU 81 HD13 LEU 81 69.015 -9.769 -10.376 615 HD21 LEU 81 HD21 LEU 81 69.695 -12.378 -8.552 616 HD22 LEU 81 HD22 LEU 81 68.541 -11.250 -7.840 617 HD23 LEU 81 HD23 LEU 81 70.058 -11.601 -7.011 618 H ALA 82 HN ALA 82 73.982 -13.644 -8.462 619 HA ALA 82 HA ALA 82 76.391 -12.230 -8.492 620 HB1 ALA 82 HB1 ALA 82 77.398 -14.442 -9.312 621 HB2 ALA 82 HB2 ALA 82 75.744 -15.056 -9.347 622 HB3 ALA 82 HB3 ALA 82 76.452 -14.514 -7.825 623 H GLN 83 HN GLN 83 77.463 -11.142 -10.057 624 HA GLN 83 HA GLN 83 77.464 -12.018 -12.838 625 HB2 GLN 83 HB2 GLN 83 75.259 -10.744 -12.518 626 HB3 GLN 83 HB1 GLN 83 76.250 -9.303 -12.288 627 HG2 GLN 83 HG2 GLN 83 75.681 -9.362 -14.615 628 HG3 GLN 83 HG1 GLN 83 77.368 -9.863 -14.504 629 HE21 GLN 83 HE21 GLN 83 77.825 -11.715 -15.691 630 HE22 GLN 83 HE22 GLN 83 76.711 -12.943 -16.056 631 H TYR 84 HN TYR 84 77.832 -8.934 -11.065 632 HA TYR 84 HA TYR 84 80.750 -9.021 -11.542 633 HD1 TYR 84 HD1 TYR 84 82.436 -8.143 -13.006 634 HD2 TYR 84 HD2 TYR 84 78.595 -7.885 -14.911 635 HE1 TYR 84 HE1 TYR 84 83.391 -9.138 -15.068 636 HE2 TYR 84 HE2 TYR 84 79.550 -8.879 -16.973 637 HH TYR 84 HH TYR 84 82.664 -8.985 -17.688 638 HB2 TYR 84 HB2 TYR 84 78.859 -7.024 -12.762 639 HB3 TYR 84 HB1 TYR 84 80.468 -6.493 -12.274 640 H GLY 85 HN GLY 85 78.443 -8.841 -9.396 641 HA2 GLY 85 HA2 GLY 85 78.795 -8.213 -7.097 642 HA3 GLY 85 HA1 GLY 85 79.982 -7.022 -7.631 643 H ILE 86 HN ILE 86 76.642 -7.515 -8.797 644 HA ILE 86 HA ILE 86 75.996 -4.792 -9.015 645 HB ILE 86 HB ILE 86 74.531 -6.570 -9.880 646 HG12 ILE 86 HG12 ILE 86 73.034 -4.995 -7.770 647 HG13 ILE 86 HG11 ILE 86 73.640 -4.265 -9.257 648 HG21 ILE 86 HG21 ILE 86 74.756 -8.211 -8.109 649 HG22 ILE 86 HG22 ILE 86 73.052 -7.775 -8.240 650 HG23 ILE 86 HG23 ILE 86 74.036 -7.107 -6.938 651 HD11 ILE 86 HD11 ILE 86 72.216 -5.558 -10.617 652 HD12 ILE 86 HD12 ILE 86 71.195 -5.140 -9.241 653 HD13 ILE 86 HD13 ILE 86 71.926 -6.742 -9.343 654 H1U RCY 87 H1U RCY 87 73.364 -3.412 1.025 655 H1S RCY 87 H1S RCY 87 72.736 -5.479 -2.900 656 HB1 RCY 87 HB1 RCY 87 75.787 -6.484 -2.651 657 HB2 RCY 87 HB2 RCY 87 76.163 -7.518 -4.030 658 HA RCY 87 HA RCY 87 74.783 -4.881 -4.461 659 HN1 RCY 87 HN1 RCY 87 76.122 -6.836 -6.181 Start of MODEL 73 1 HA MET 1 HA MET 1 45.522 -0.244 -8.165 2 HB2 MET 1 HB2 MET 1 47.689 -1.087 -9.251 3 HB3 MET 1 HB1 MET 1 46.184 -1.554 -10.043 4 HG2 MET 1 HG2 MET 1 47.658 0.946 -10.862 5 HG3 MET 1 HG1 MET 1 48.090 -0.626 -11.534 6 HE1 MET 1 HE1 MET 1 45.360 2.103 -13.382 7 HE2 MET 1 HE2 MET 1 47.052 2.072 -12.892 8 HE3 MET 1 HE3 MET 1 45.800 2.398 -11.695 9 H ASN 2 HN ASN 2 48.157 -0.225 -7.565 10 HA ASN 2 HA ASN 2 49.691 1.063 -6.332 11 HB2 ASN 2 HB2 ASN 2 49.258 2.823 -8.765 12 HB3 ASN 2 HB1 ASN 2 50.556 3.052 -7.592 13 HD21 ASN 2 HD21 ASN 2 49.190 0.441 -9.685 14 HD22 ASN 2 HD22 ASN 2 50.694 -0.263 -10.035 15 H LEU 3 HN LEU 3 46.722 1.551 -5.946 16 HA LEU 3 HA LEU 3 46.421 4.383 -5.401 17 HG LEU 3 HG LEU 3 44.868 3.242 -6.972 18 HB2 LEU 3 HB2 LEU 3 44.844 1.914 -4.672 19 HB3 LEU 3 HB1 LEU 3 44.411 3.495 -4.022 20 HD11 LEU 3 HD11 LEU 3 42.363 2.738 -7.141 21 HD12 LEU 3 HD12 LEU 3 42.449 2.257 -5.447 22 HD13 LEU 3 HD13 LEU 3 43.394 1.391 -6.658 23 HD21 LEU 3 HD21 LEU 3 44.395 5.403 -5.657 24 HD22 LEU 3 HD22 LEU 3 42.759 4.779 -5.445 25 HD23 LEU 3 HD23 LEU 3 43.379 5.097 -7.065 26 H GLU 4 HN GLU 4 48.774 3.847 -4.228 27 HA GLU 4 HA GLU 4 48.498 3.023 -1.452 28 HB2 GLU 4 HB2 GLU 4 50.792 4.592 -2.640 29 HB3 GLU 4 HB1 GLU 4 50.828 3.495 -1.259 30 HG2 GLU 4 HG2 GLU 4 50.292 2.709 -4.139 31 HG3 GLU 4 HG1 GLU 4 51.773 2.388 -3.236 32 HA PRO 5 HA PRO 5 46.658 6.915 -0.090 33 HB2 PRO 5 HB2 PRO 5 48.074 6.078 2.420 34 HB3 PRO 5 HB1 PRO 5 46.411 6.660 2.209 35 HG2 PRO 5 HG2 PRO 5 46.962 4.070 2.551 36 HG3 PRO 5 HG1 PRO 5 45.644 4.616 1.502 37 HD2 PRO 5 HD2 PRO 5 48.256 3.420 0.754 38 HD3 PRO 5 HD1 PRO 5 46.730 3.455 -0.155 39 HA PRO 6 HA PRO 6 50.084 9.721 -0.354 40 HB2 PRO 6 HB2 PRO 6 49.113 11.896 0.997 41 HB3 PRO 6 HB1 PRO 6 48.547 11.421 -0.617 42 HG2 PRO 6 HG2 PRO 6 47.288 10.950 2.037 43 HG3 PRO 6 HG1 PRO 6 46.538 11.384 0.492 44 HD2 PRO 6 HD2 PRO 6 46.535 8.828 1.483 45 HD3 PRO 6 HD1 PRO 6 46.492 9.194 -0.255 46 H LYS 7 HN LYS 7 51.904 10.420 0.820 47 HA LYS 7 HA LYS 7 53.452 10.247 2.588 48 HB2 LYS 7 HB2 LYS 7 51.130 11.158 4.291 49 HB3 LYS 7 HB1 LYS 7 52.843 11.528 4.496 50 HG2 LYS 7 HG2 LYS 7 51.102 12.443 2.188 51 HG3 LYS 7 HG1 LYS 7 51.654 13.453 3.525 52 HD2 LYS 7 HD2 LYS 7 54.038 12.735 2.828 53 HD3 LYS 7 HD1 LYS 7 53.293 12.201 1.321 54 HE2 LYS 7 HE2 LYS 7 54.113 14.502 1.084 55 HE3 LYS 7 HE1 LYS 7 52.351 14.475 1.002 56 HZ1 LYS 7 HZ1 LYS 7 53.592 16.160 2.540 57 HZ2 LYS 7 HZ2 LYS 7 53.632 14.842 3.613 58 HZ3 LYS 7 HZ3 LYS 7 52.144 15.434 3.045 59 H ALA 8 HN ALA 8 52.368 7.776 2.048 60 HA ALA 8 HA ALA 8 52.418 6.545 4.742 61 HB1 ALA 8 HB1 ALA 8 50.384 5.397 4.549 62 HB2 ALA 8 HB2 ALA 8 50.310 5.622 2.801 63 HB3 ALA 8 HB3 ALA 8 49.983 6.978 3.880 64 H GLU 9 HN GLU 9 51.850 3.926 3.936 65 HA GLU 9 HA GLU 9 52.777 2.072 2.835 66 HB2 GLU 9 HB2 GLU 9 52.394 3.723 0.800 67 HB3 GLU 9 HB1 GLU 9 54.153 3.850 0.842 68 HG2 GLU 9 HG2 GLU 9 52.530 1.304 0.563 69 HG3 GLU 9 HG1 GLU 9 53.542 2.050 -0.675 70 H1U RCY 10 H1U RCY 10 63.278 1.903 2.639 71 H1S RCY 10 H1S RCY 10 58.981 3.304 3.557 72 HB1 RCY 10 HB1 RCY 10 56.838 5.902 4.878 73 HB2 RCY 10 HB2 RCY 10 56.938 6.077 3.126 74 HA RCY 10 HA RCY 10 57.405 3.532 3.095 75 HN1 RCY 10 HN1 RCY 10 54.937 4.901 3.054 76 H ARG 11 HN ARG 11 58.671 2.692 4.830 77 HA ARG 11 HA ARG 11 59.044 1.632 6.885 78 HE ARG 11 HE ARG 11 58.912 5.390 9.331 79 HB2 ARG 11 HB2 ARG 11 57.638 3.948 7.521 80 HB3 ARG 11 HB1 ARG 11 56.678 2.686 8.285 81 HG2 ARG 11 HG2 ARG 11 58.271 3.218 9.936 82 HG3 ARG 11 HG1 ARG 11 58.957 1.788 9.162 83 HD2 ARG 11 HD2 ARG 11 60.748 3.362 9.310 84 HD3 ARG 11 HD1 ARG 11 60.220 3.396 7.627 85 HH11 ARG 11 HH21 ARG 11 61.557 4.558 7.282 86 HH12 ARG 11 HH22 ARG 11 61.923 6.199 6.865 87 HH21 ARG 11 HH11 ARG 11 59.375 7.537 8.799 88 HH22 ARG 11 HH12 ARG 11 60.688 7.886 7.725 89 H SER 12 HN SER 12 57.877 0.078 5.058 90 HA SER 12 HA SER 12 55.319 -0.972 5.445 91 HG SER 12 HG SER 12 58.756 -2.082 4.293 92 HB2 SER 12 HB2 SER 12 56.233 -3.112 4.569 93 HB3 SER 12 HB1 SER 12 56.785 -1.726 3.634 94 H ALA 13 HN ALA 13 58.199 -2.635 6.779 95 HA ALA 13 HA ALA 13 56.917 -2.819 9.418 96 HB1 ALA 13 HB1 ALA 13 56.834 -5.254 9.465 97 HB2 ALA 13 HB2 ALA 13 57.491 -5.338 7.830 98 HB3 ALA 13 HB3 ALA 13 55.879 -4.675 8.100 99 H THR 14 HN THR 14 58.838 -5.473 9.158 100 HA THR 14 HA THR 14 61.025 -4.208 10.585 101 HB THR 14 HB THR 14 62.045 -6.468 10.530 102 HG1 THR 14 HG1 THR 14 59.818 -7.010 8.862 103 HG21 THR 14 HG21 THR 14 60.427 -7.513 11.917 104 HG22 THR 14 HG22 THR 14 59.087 -6.743 11.069 105 HG23 THR 14 HG23 THR 14 60.138 -5.784 12.112 106 H ARG 15 HN ARG 15 60.598 -3.139 7.911 107 HA ARG 15 HA ARG 15 61.863 -2.521 6.034 108 HE ARG 15 HE ARG 15 67.029 -0.595 5.145 109 HB2 ARG 15 HB2 ARG 15 63.490 -2.114 8.006 110 HB3 ARG 15 HB1 ARG 15 64.267 -3.613 7.499 111 HG2 ARG 15 HG2 ARG 15 64.618 -2.699 5.249 112 HG3 ARG 15 HG1 ARG 15 63.792 -1.210 5.710 113 HD2 ARG 15 HD2 ARG 15 65.544 -1.031 7.592 114 HD3 ARG 15 HD1 ARG 15 66.443 -2.260 6.703 115 HH11 ARG 15 HH21 ARG 15 64.240 0.280 6.974 116 HH12 ARG 15 HH22 ARG 15 64.132 1.870 6.298 117 HH21 ARG 15 HH11 ARG 15 66.904 1.477 4.252 118 HH22 ARG 15 HH12 ARG 15 65.640 2.549 4.757 119 H VAL 16 HN VAL 16 60.637 -5.029 5.837 120 HA VAL 16 HA VAL 16 62.569 -6.418 4.055 121 HB VAL 16 HB VAL 16 62.684 -7.612 6.212 122 HG11 VAL 16 HG11 VAL 16 60.326 -6.891 6.879 123 HG12 VAL 16 HG12 VAL 16 60.749 -8.564 7.245 124 HG13 VAL 16 HG13 VAL 16 59.738 -8.195 5.847 125 HG21 VAL 16 HG21 VAL 16 62.683 -8.803 3.936 126 HG22 VAL 16 HG22 VAL 16 61.013 -9.246 4.291 127 HG23 VAL 16 HG23 VAL 16 62.316 -9.802 5.342 128 H MET 17 HN MET 17 61.555 -7.394 2.278 129 HA MET 17 HA MET 17 59.857 -7.576 0.661 130 HB2 MET 17 HB2 MET 17 59.214 -9.390 2.230 131 HB3 MET 17 HB1 MET 17 58.229 -8.240 3.134 132 HG2 MET 17 HG2 MET 17 56.752 -7.906 1.278 133 HG3 MET 17 HG1 MET 17 57.837 -8.757 0.179 134 HE1 MET 17 HE1 MET 17 55.230 -10.442 3.520 135 HE2 MET 17 HE2 MET 17 55.769 -8.787 3.251 136 HE3 MET 17 HE3 MET 17 56.877 -9.965 3.951 137 H GLY 18 HN GLY 18 59.756 -5.326 0.108 138 HA2 GLY 18 HA2 GLY 18 57.255 -4.084 0.216 139 HA3 GLY 18 HA1 GLY 18 58.148 -3.443 1.597 140 H GLY 19 HN GLY 19 57.653 -3.164 -1.762 141 HA2 GLY 19 HA2 GLY 19 58.920 -0.753 -2.162 142 HA3 GLY 19 HA1 GLY 19 60.220 -1.924 -2.393 143 HA PRO 20 HA PRO 20 56.535 -2.824 -5.635 144 HB2 PRO 20 HB2 PRO 20 55.904 0.092 -5.914 145 HB3 PRO 20 HB1 PRO 20 54.831 -1.313 -6.065 146 HG2 PRO 20 HG2 PRO 20 54.813 0.216 -3.890 147 HG3 PRO 20 HG1 PRO 20 54.589 -1.538 -3.788 148 HD2 PRO 20 HD2 PRO 20 56.965 0.099 -3.033 149 HD3 PRO 20 HD1 PRO 20 56.400 -1.448 -2.365 150 H1U RCY 21 H1U RCY 21 61.444 7.044 -5.905 151 H1S RCY 21 H1S RCY 21 61.904 2.889 -4.748 152 HB1 RCY 21 HB1 RCY 21 59.319 1.510 -7.829 153 HB2 RCY 21 HB2 RCY 21 61.065 1.266 -7.886 154 HA RCY 21 HA RCY 21 59.564 -0.785 -8.354 155 HN1 RCY 21 HN1 RCY 21 59.184 -0.738 -5.383 156 H THR 22 HN THR 22 60.909 -2.562 -8.534 157 HA THR 22 HA THR 22 63.032 -3.074 -6.607 158 HB THR 22 HB THR 22 63.419 -5.047 -7.796 159 HG1 THR 22 HG1 THR 22 63.057 -3.381 -9.913 160 HG21 THR 22 HG21 THR 22 61.021 -4.829 -7.049 161 HG22 THR 22 HG22 THR 22 61.262 -5.952 -8.387 162 HG23 THR 22 HG23 THR 22 60.615 -4.340 -8.694 163 HA PRO 23 HA PRO 23 66.091 -0.225 -8.160 164 HB2 PRO 23 HB2 PRO 23 67.883 -2.611 -7.802 165 HB3 PRO 23 HB1 PRO 23 68.131 -0.930 -7.293 166 HG2 PRO 23 HG2 PRO 23 67.360 -2.830 -5.578 167 HG3 PRO 23 HG1 PRO 23 66.801 -1.156 -5.440 168 HD2 PRO 23 HD2 PRO 23 65.286 -3.566 -6.260 169 HD3 PRO 23 HD1 PRO 23 64.686 -2.021 -5.619 170 H ARG 24 HN ARG 24 67.608 -3.206 -9.276 171 HA ARG 24 HA ARG 24 66.601 -3.491 -11.860 172 HE ARG 24 HE ARG 24 66.355 0.523 -11.741 173 HB2 ARG 24 HB2 ARG 24 68.125 -1.019 -11.557 174 HB3 ARG 24 HB1 ARG 24 68.883 -2.078 -12.740 175 HG2 ARG 24 HG2 ARG 24 66.970 -2.126 -14.113 176 HG3 ARG 24 HG1 ARG 24 65.910 -1.586 -12.810 177 HD2 ARG 24 HD2 ARG 24 68.131 0.154 -13.895 178 HD3 ARG 24 HD1 ARG 24 66.509 0.165 -14.587 179 HH11 ARG 24 HH21 ARG 24 67.258 2.055 -14.694 180 HH12 ARG 24 HH22 ARG 24 66.922 3.655 -14.122 181 HH21 ARG 24 HH11 ARG 24 65.911 2.603 -10.976 182 HH22 ARG 24 HH12 ARG 24 66.159 3.965 -12.017 183 H LYS 25 HN LYS 25 67.661 -5.231 -12.799 184 HA LYS 25 HA LYS 25 69.489 -6.780 -11.357 185 HB2 LYS 25 HB2 LYS 25 69.721 -8.111 -13.276 186 HB3 LYS 25 HB1 LYS 25 68.171 -7.321 -13.555 187 HG2 LYS 25 HG2 LYS 25 69.513 -5.501 -14.787 188 HG3 LYS 25 HG1 LYS 25 70.854 -6.647 -14.771 189 HD2 LYS 25 HD2 LYS 25 69.038 -8.315 -15.715 190 HD3 LYS 25 HD1 LYS 25 68.224 -6.828 -16.202 191 HE2 LYS 25 HE2 LYS 25 69.654 -7.571 -18.026 192 HE3 LYS 25 HE1 LYS 25 70.335 -6.100 -17.331 193 HZ1 LYS 25 HZ1 LYS 25 71.243 -8.523 -16.069 194 HZ2 LYS 25 HZ2 LYS 25 72.132 -7.181 -16.613 195 HZ3 LYS 25 HZ3 LYS 25 71.684 -8.405 -17.703 196 H GLY 26 HN GLY 26 70.108 -4.109 -13.566 197 HA2 GLY 26 HA2 GLY 26 73.031 -4.351 -12.978 198 HA3 GLY 26 HA1 GLY 26 72.373 -3.563 -14.415 199 HA PRO 27 HA PRO 27 72.035 -0.886 -10.239 200 HB2 PRO 27 HB2 PRO 27 75.010 -0.850 -10.039 201 HB3 PRO 27 HB1 PRO 27 73.793 -0.891 -8.749 202 HG2 PRO 27 HG2 PRO 27 75.217 -3.045 -9.383 203 HG3 PRO 27 HG1 PRO 27 73.515 -3.170 -8.906 204 HD2 PRO 27 HD2 PRO 27 74.727 -3.395 -11.638 205 HD3 PRO 27 HD1 PRO 27 73.328 -4.251 -10.949 206 HA PRO 28 HA PRO 28 72.501 2.272 -13.453 207 HB2 PRO 28 HB2 PRO 28 72.177 4.004 -11.025 208 HB3 PRO 28 HB1 PRO 28 71.373 4.117 -12.604 209 HG2 PRO 28 HG2 PRO 28 70.134 3.100 -10.471 210 HG3 PRO 28 HG1 PRO 28 69.861 2.461 -12.100 211 HD2 PRO 28 HD2 PRO 28 71.346 1.239 -9.834 212 HD3 PRO 28 HD1 PRO 28 70.548 0.454 -11.214 213 H LYS 29 HN LYS 29 74.419 3.080 -14.209 214 HA LYS 29 HA LYS 29 76.832 3.001 -12.692 215 HB2 LYS 29 HB2 LYS 29 76.253 4.684 -15.149 216 HB3 LYS 29 HB1 LYS 29 77.843 4.189 -14.568 217 HG2 LYS 29 HG2 LYS 29 76.981 1.773 -14.790 218 HG3 LYS 29 HG1 LYS 29 75.664 2.460 -15.741 219 HD2 LYS 29 HD2 LYS 29 78.608 2.870 -16.338 220 HD3 LYS 29 HD1 LYS 29 77.573 1.701 -17.159 221 HE2 LYS 29 HE2 LYS 29 76.032 3.711 -17.669 222 HE3 LYS 29 HE1 LYS 29 77.412 4.714 -17.222 223 HZ1 LYS 29 HZ1 LYS 29 78.246 2.650 -18.955 224 HZ2 LYS 29 HZ2 LYS 29 78.331 4.332 -19.181 225 HZ3 LYS 29 HZ3 LYS 29 76.942 3.477 -19.658 226 H1U RCY 30 H1U RCY 30 76.560 6.156 -2.956 227 H1S RCY 30 H1S RCY 30 76.929 7.556 -7.525 228 HB1 RCY 30 HB1 RCY 30 77.975 7.171 -9.144 229 HB2 RCY 30 HB2 RCY 30 77.812 5.448 -9.473 230 HA RCY 30 HA RCY 30 76.580 7.325 -11.434 231 HN1 RCY 30 HN1 RCY 30 78.138 4.838 -11.967 232 H LYS 31 HN LYS 31 79.828 6.105 -10.574 233 HA LYS 31 HA LYS 31 80.982 8.645 -11.564 234 HB2 LYS 31 HB2 LYS 31 82.139 6.285 -10.058 235 HB3 LYS 31 HB1 LYS 31 83.144 7.584 -10.698 236 HG2 LYS 31 HG2 LYS 31 82.556 8.028 -8.348 237 HG3 LYS 31 HG1 LYS 31 81.827 9.234 -9.409 238 HD2 LYS 31 HD2 LYS 31 79.688 8.432 -9.085 239 HD3 LYS 31 HD1 LYS 31 80.238 6.778 -8.811 240 HE2 LYS 31 HE2 LYS 31 79.351 8.174 -6.780 241 HE3 LYS 31 HE1 LYS 31 80.805 7.196 -6.578 242 HZ1 LYS 31 HZ1 LYS 31 81.697 9.585 -7.572 243 HZ2 LYS 31 HZ2 LYS 31 81.806 9.060 -5.960 244 HZ3 LYS 31 HZ3 LYS 31 80.500 10.028 -6.455 245 H GLN 32 HN GLN 32 83.406 6.508 -11.953 246 HA GLN 32 HA GLN 32 82.670 5.390 -14.562 247 HB2 GLN 32 HB2 GLN 32 84.652 7.670 -14.309 248 HB3 GLN 32 HB1 GLN 32 84.571 6.609 -15.715 249 HG2 GLN 32 HG2 GLN 32 82.076 7.217 -15.827 250 HG3 GLN 32 HG1 GLN 32 82.459 8.515 -14.696 251 HE21 GLN 32 HE21 GLN 32 84.791 9.595 -15.541 252 HE22 GLN 32 HE22 GLN 32 84.710 10.097 -17.161 253 H ARG 33 HN ARG 33 83.305 3.648 -12.859 254 HA ARG 33 HA ARG 33 84.846 2.038 -12.132 255 HE ARG 33 HE ARG 33 85.726 2.921 -17.270 256 HB2 ARG 33 HB2 ARG 33 86.425 3.127 -14.487 257 HB3 ARG 33 HB1 ARG 33 86.760 1.613 -13.646 258 HG2 ARG 33 HG2 ARG 33 84.559 0.744 -14.269 259 HG3 ARG 33 HG1 ARG 33 84.153 2.275 -15.047 260 HD2 ARG 33 HD2 ARG 33 86.370 0.373 -15.862 261 HD3 ARG 33 HD1 ARG 33 84.878 0.687 -16.749 262 HH11 ARG 33 HH21 ARG 33 87.858 0.788 -15.600 263 HH12 ARG 33 HH22 ARG 33 89.285 1.680 -16.009 264 HH21 ARG 33 HH11 ARG 33 87.577 4.098 -17.814 265 HH22 ARG 33 HH12 ARG 33 89.126 3.554 -17.262 266 H GLN 34 HN GLN 34 86.838 1.832 -10.906 267 HA GLN 34 HA GLN 34 88.178 2.738 -9.184 268 HB2 GLN 34 HB2 GLN 34 90.078 4.009 -10.067 269 HB3 GLN 34 HB1 GLN 34 89.692 2.672 -11.147 270 HG2 GLN 34 HG2 GLN 34 88.562 4.133 -12.689 271 HG3 GLN 34 HG1 GLN 34 88.624 5.478 -11.550 272 HE21 GLN 34 HE21 GLN 34 90.845 3.264 -13.335 273 HE22 GLN 34 HE22 GLN 34 92.072 4.421 -13.535 274 H THR 35 HN THR 35 85.620 4.204 -9.851 275 HA THR 35 HA THR 35 84.766 6.461 -9.693 276 HB THR 35 HB THR 35 84.128 5.269 -7.702 277 HG1 THR 35 HG1 THR 35 84.316 7.764 -7.804 278 HG21 THR 35 HG21 THR 35 86.963 5.855 -6.836 279 HG22 THR 35 HG22 THR 35 86.178 4.284 -6.995 280 HG23 THR 35 HG23 THR 35 85.708 5.376 -5.692 281 H ARG 36 HN ARG 36 86.069 7.750 -7.093 282 HA ARG 36 HA ARG 36 88.492 8.914 -8.324 283 HE ARG 36 HE ARG 36 83.418 12.094 -9.042 284 HB2 ARG 36 HB2 ARG 36 87.562 11.242 -7.696 285 HB3 ARG 36 HB1 ARG 36 86.927 10.491 -9.160 286 HG2 ARG 36 HG2 ARG 36 84.920 9.808 -8.055 287 HG3 ARG 36 HG1 ARG 36 85.585 10.188 -6.466 288 HD2 ARG 36 HD2 ARG 36 85.055 12.383 -6.648 289 HD3 ARG 36 HD1 ARG 36 85.633 12.468 -8.312 290 HH11 ARG 36 HH21 ARG 36 83.861 11.273 -5.723 291 HH12 ARG 36 HH22 ARG 36 82.177 10.997 -5.429 292 HH21 ARG 36 HH11 ARG 36 81.216 11.739 -8.677 293 HH22 ARG 36 HH12 ARG 36 80.679 11.261 -7.101 294 H GLN 37 HN GLN 37 87.868 7.185 -6.037 295 HA GLN 37 HA GLN 37 88.523 6.967 -3.795 296 HB2 GLN 37 HB2 GLN 37 89.946 9.616 -4.155 297 HB3 GLN 37 HB1 GLN 37 90.344 8.319 -3.030 298 HG2 GLN 37 HG2 GLN 37 90.913 6.837 -4.902 299 HG3 GLN 37 HG1 GLN 37 90.466 8.098 -6.052 300 HE21 GLN 37 HE21 GLN 37 91.855 10.049 -6.134 301 HE22 GLN 37 HE22 GLN 37 93.444 9.995 -5.540 302 H1U RCY 38 H1U RCY 38 83.716 4.593 1.899 303 H1S RCY 38 H1S RCY 38 83.339 8.442 0.723 304 HB1 RCY 38 HB1 RCY 38 84.179 7.358 -1.733 305 HB2 RCY 38 HB2 RCY 38 83.831 8.240 -3.220 306 HA RCY 38 HA RCY 38 85.408 10.032 -2.472 307 HN1 RCY 38 HN1 RCY 38 86.290 7.329 -3.159 308 H LYS 39 HN LYS 39 87.861 8.941 -1.173 309 HA LYS 39 HA LYS 39 86.989 8.721 1.665 310 HB2 LYS 39 HB2 LYS 39 89.595 8.171 0.231 311 HB3 LYS 39 HB1 LYS 39 89.495 8.248 1.990 312 HG2 LYS 39 HG2 LYS 39 89.229 5.935 1.371 313 HG3 LYS 39 HG1 LYS 39 87.641 6.525 1.863 314 HD2 LYS 39 HD2 LYS 39 86.876 6.677 -0.369 315 HD3 LYS 39 HD1 LYS 39 88.512 6.601 -1.025 316 HE2 LYS 39 HE2 LYS 39 87.053 4.346 0.385 317 HE3 LYS 39 HE1 LYS 39 87.380 4.448 -1.345 318 HZ1 LYS 39 HZ1 LYS 39 89.167 3.790 0.844 319 HZ2 LYS 39 HZ2 LYS 39 89.822 4.799 -0.356 320 HZ3 LYS 39 HZ3 LYS 39 89.193 3.276 -0.773 321 H SER 40 HN SER 40 88.024 10.106 3.263 322 HA SER 40 HA SER 40 89.839 12.162 2.874 323 HG SER 40 HG SER 40 87.533 14.107 3.698 324 HB2 SER 40 HB2 SER 40 88.754 13.390 1.257 325 HB3 SER 40 HB1 SER 40 87.164 12.798 1.728 326 H LYS 41 HN LYS 41 86.863 11.101 4.400 327 HA LYS 41 HA LYS 41 87.041 13.038 6.568 328 HB2 LYS 41 HB2 LYS 41 85.497 10.436 6.466 329 HB3 LYS 41 HB1 LYS 41 85.203 11.793 7.555 330 HG2 LYS 41 HG2 LYS 41 85.029 13.138 5.267 331 HG3 LYS 41 HG1 LYS 41 84.613 11.544 4.635 332 HD2 LYS 41 HD2 LYS 41 82.507 12.222 5.276 333 HD3 LYS 41 HD1 LYS 41 83.042 11.528 6.807 334 HE2 LYS 41 HE2 LYS 41 82.906 14.428 6.001 335 HE3 LYS 41 HE1 LYS 41 82.241 13.649 7.437 336 HZ1 LYS 41 HZ1 LYS 41 84.402 13.366 8.331 337 HZ2 LYS 41 HZ2 LYS 41 84.293 14.983 7.821 338 HZ3 LYS 41 HZ3 LYS 41 85.147 13.850 6.886 339 HA PRO 42 HA PRO 42 89.948 11.047 9.236 340 HB2 PRO 42 HB2 PRO 42 88.090 11.353 11.529 341 HB3 PRO 42 HB1 PRO 42 89.703 12.046 11.289 342 HG2 PRO 42 HG2 PRO 42 87.466 13.517 11.146 343 HG3 PRO 42 HG1 PRO 42 88.904 13.868 10.175 344 HD2 PRO 42 HD2 PRO 42 86.322 12.614 9.331 345 HD3 PRO 42 HD1 PRO 42 87.417 13.672 8.413 346 HA PRO 43 HA PRO 43 88.698 6.854 9.961 347 HB2 PRO 43 HB2 PRO 43 90.263 6.074 12.047 348 HB3 PRO 43 HB1 PRO 43 90.921 6.415 10.434 349 HG2 PRO 43 HG2 PRO 43 90.948 8.103 12.880 350 HG3 PRO 43 HG1 PRO 43 92.192 7.893 11.637 351 HD2 PRO 43 HD2 PRO 43 90.475 10.063 11.761 352 HD3 PRO 43 HD1 PRO 43 91.288 9.516 10.279 353 H LYS 44 HN LYS 44 87.700 5.316 11.556 354 HA LYS 44 HA LYS 44 86.753 6.414 14.099 355 HB2 LYS 44 HB2 LYS 44 85.233 7.036 11.888 356 HB3 LYS 44 HB1 LYS 44 84.456 5.557 12.446 357 HG2 LYS 44 HG2 LYS 44 85.079 7.925 14.236 358 HG3 LYS 44 HG1 LYS 44 83.507 7.641 13.487 359 HD2 LYS 44 HD2 LYS 44 83.436 5.401 14.603 360 HD3 LYS 44 HD1 LYS 44 84.932 5.813 15.442 361 HE2 LYS 44 HE2 LYS 44 83.908 7.513 16.700 362 HE3 LYS 44 HE1 LYS 44 82.551 7.652 15.581 363 HZ1 LYS 44 HZ1 LYS 44 82.259 6.402 17.816 364 HZ2 LYS 44 HZ2 LYS 44 83.009 5.117 16.996 365 HZ3 LYS 44 HZ3 LYS 44 81.558 5.773 16.405 366 H LYS 45 HN LYS 45 86.607 3.842 11.662 367 HA LYS 45 HA LYS 45 86.756 1.852 13.839 368 HB2 LYS 45 HB2 LYS 45 84.331 2.134 13.503 369 HB3 LYS 45 HB1 LYS 45 84.528 1.821 11.779 370 HG2 LYS 45 HG2 LYS 45 85.103 -0.436 12.128 371 HG3 LYS 45 HG1 LYS 45 85.503 -0.167 13.825 372 HD2 LYS 45 HD2 LYS 45 82.710 0.448 12.997 373 HD3 LYS 45 HD1 LYS 45 83.164 -1.256 13.054 374 HE2 LYS 45 HE2 LYS 45 82.235 -0.127 15.222 375 HE3 LYS 45 HE1 LYS 45 83.640 -1.186 15.348 376 HZ1 LYS 45 HZ1 LYS 45 84.451 0.609 16.432 377 HZ2 LYS 45 HZ2 LYS 45 83.466 1.715 15.599 378 HZ3 LYS 45 HZ3 LYS 45 84.861 1.089 14.858 379 H GLY 46 HN GLY 46 85.692 1.209 10.536 380 HA2 GLY 46 HA2 GLY 46 87.929 -0.598 10.120 381 HA3 GLY 46 HA1 GLY 46 86.699 -0.188 8.925 382 H VAL 47 HN VAL 47 89.757 0.863 10.350 383 HA VAL 47 HA VAL 47 90.031 2.994 8.314 384 HB VAL 47 HB VAL 47 91.993 3.678 9.529 385 HG11 VAL 47 HG11 VAL 47 89.811 2.737 11.414 386 HG12 VAL 47 HG12 VAL 47 89.893 4.299 10.601 387 HG13 VAL 47 HG13 VAL 47 91.073 3.891 11.846 388 HG21 VAL 47 HG21 VAL 47 93.143 1.657 9.967 389 HG22 VAL 47 HG22 VAL 47 91.747 0.936 10.768 390 HG23 VAL 47 HG23 VAL 47 92.657 2.219 11.566 391 H GLN 48 HN GLN 48 91.104 2.652 6.425 392 HA GLN 48 HA GLN 48 93.424 0.964 6.199 393 HB2 GLN 48 HB2 GLN 48 91.638 -0.786 6.390 394 HB3 GLN 48 HB1 GLN 48 90.892 -0.129 4.936 395 HG2 GLN 48 HG2 GLN 48 93.139 -0.476 3.780 396 HG3 GLN 48 HG1 GLN 48 93.617 -1.413 5.195 397 HE21 GLN 48 HE21 GLN 48 91.444 -2.935 5.823 398 HE22 GLN 48 HE22 GLN 48 90.959 -3.899 4.512 399 H GLY 49 HN GLY 49 91.275 0.750 3.516 400 HA2 GLY 49 HA2 GLY 49 91.318 3.144 2.197 401 HA3 GLY 49 HA1 GLY 49 92.973 2.574 1.975 402 H1U RCY 50 H1U RCY 50 87.013 -4.986 -3.689 403 H1S RCY 50 H1S RCY 50 89.650 -1.239 -2.111 404 HB1 RCY 50 HB1 RCY 50 91.156 -0.985 -0.583 405 HB2 RCY 50 HB2 RCY 50 92.759 -0.315 -0.882 406 HA RCY 50 HA RCY 50 91.491 1.478 -2.286 407 HN1 RCY 50 HN1 RCY 50 91.915 2.746 -0.352 408 H GLY 51 HN GLY 51 89.450 1.658 0.430 409 HA2 GLY 51 HA2 GLY 51 87.067 2.137 -0.768 410 HA3 GLY 51 HA1 GLY 51 87.149 0.380 -0.894 411 H ASP 52 HN ASP 52 87.817 2.831 1.643 412 HA ASP 52 HA ASP 52 85.751 1.932 3.388 413 HB2 ASP 52 HB2 ASP 52 87.437 0.871 5.097 414 HB3 ASP 52 HB1 ASP 52 86.815 -0.117 3.775 415 H ASP 53 HN ASP 53 88.692 2.235 5.093 416 HA ASP 53 HA ASP 53 89.647 4.002 6.301 417 HB2 ASP 53 HB2 ASP 53 88.225 5.907 4.433 418 HB3 ASP 53 HB1 ASP 53 89.733 6.158 5.311 419 H ILE 54 HN ILE 54 86.280 4.603 5.317 420 HA ILE 54 HA ILE 54 85.543 4.940 8.149 421 HB ILE 54 HB ILE 54 86.157 7.233 7.421 422 HG12 ILE 54 HG12 ILE 54 83.843 8.270 7.795 423 HG13 ILE 54 HG11 ILE 54 83.223 6.619 7.835 424 HG21 ILE 54 HG21 ILE 54 83.871 7.383 5.537 425 HG22 ILE 54 HG22 ILE 54 85.273 6.478 4.967 426 HG23 ILE 54 HG23 ILE 54 85.451 8.163 5.455 427 HD11 ILE 54 HD11 ILE 54 85.548 7.442 9.569 428 HD12 ILE 54 HD12 ILE 54 84.453 6.075 9.773 429 HD13 ILE 54 HD13 ILE 54 83.885 7.714 10.090 430 HA PRO 55 HA PRO 55 82.393 2.865 5.488 431 HB2 PRO 55 HB2 PRO 55 82.312 0.488 6.789 432 HB3 PRO 55 HB1 PRO 55 83.554 0.864 5.580 433 HG2 PRO 55 HG2 PRO 55 83.752 0.805 8.535 434 HG3 PRO 55 HG1 PRO 55 84.963 0.400 7.310 435 HD2 PRO 55 HD2 PRO 55 84.817 2.822 8.737 436 HD3 PRO 55 HD1 PRO 55 85.776 2.535 7.269 437 H GLY 56 HN GLY 56 81.263 4.699 6.843 438 HA2 GLY 56 HA2 GLY 56 79.019 3.500 8.205 439 HA3 GLY 56 HA1 GLY 56 80.093 4.303 9.352 440 H MET 57 HN MET 57 80.689 6.106 6.799 441 HA MET 57 HA MET 57 78.200 7.660 6.656 442 HB2 MET 57 HB2 MET 57 79.055 9.670 7.656 443 HB3 MET 57 HB1 MET 57 79.340 8.367 8.808 444 HG2 MET 57 HG2 MET 57 81.630 8.266 7.301 445 HG3 MET 57 HG1 MET 57 81.283 9.996 7.298 446 HE1 MET 57 HE1 MET 57 79.987 10.829 9.420 447 HE2 MET 57 HE2 MET 57 81.570 11.580 9.604 448 HE3 MET 57 HE3 MET 57 80.795 10.822 10.993 449 H GLU 58 HN GLU 58 81.374 6.864 5.579 450 HA GLU 58 HA GLU 58 80.846 8.001 2.963 451 HB2 GLU 58 HB2 GLU 58 82.202 9.651 4.908 452 HB3 GLU 58 HB1 GLU 58 83.322 9.252 3.608 453 HG2 GLU 58 HG2 GLU 58 80.516 10.259 3.090 454 HG3 GLU 58 HG1 GLU 58 81.905 11.338 3.232 455 H GLY 59 HN GLY 59 83.403 8.050 1.912 456 HA2 GLY 59 HA2 GLY 59 85.329 6.711 1.490 457 HA3 GLY 59 HA1 GLY 59 84.852 5.653 2.819 458 H1U RCY 60 H1U RCY 60 79.675 -2.087 1.852 459 H1S RCY 60 H1S RCY 60 81.980 0.967 3.132 460 HB1 RCY 60 HB1 RCY 60 82.995 1.245 0.549 461 HB2 RCY 60 HB2 RCY 60 81.875 2.433 -0.112 462 HA RCY 60 HA RCY 60 84.722 2.340 -0.403 463 HN1 RCY 60 HN1 RCY 60 85.287 3.845 1.331 464 H GLY 61 HN GLY 61 85.298 4.494 -1.753 465 HA2 GLY 61 HA2 GLY 61 83.117 5.784 -3.126 466 HA3 GLY 61 HA1 GLY 61 84.806 5.815 -3.634 467 H THR 62 HN THR 62 85.371 3.189 -4.137 468 HA THR 62 HA THR 62 84.014 2.752 -6.653 469 HB THR 62 HB THR 62 86.398 2.108 -6.192 470 HG1 THR 62 HG1 THR 62 85.522 -0.319 -6.843 471 HG21 THR 62 HG21 THR 62 85.582 1.103 -3.880 472 HG22 THR 62 HG22 THR 62 86.965 0.407 -4.724 473 HG23 THR 62 HG23 THR 62 85.383 -0.362 -4.841 474 H ASP 63 HN ASP 63 82.141 2.760 -4.479 475 HA ASP 63 HA ASP 63 81.445 0.057 -3.728 476 HB2 ASP 63 HB2 ASP 63 80.720 2.305 -2.631 477 HB3 ASP 63 HB1 ASP 63 79.460 2.324 -3.862 478 H ILE 64 HN ILE 64 80.804 2.038 -6.525 479 HA ILE 64 HA ILE 64 78.691 0.183 -7.463 480 HB ILE 64 HB ILE 64 77.953 2.301 -8.006 481 HG12 ILE 64 HG12 ILE 64 78.607 0.884 -10.135 482 HG13 ILE 64 HG11 ILE 64 78.096 2.562 -10.322 483 HG21 ILE 64 HG21 ILE 64 80.886 2.994 -8.229 484 HG22 ILE 64 HG22 ILE 64 79.707 3.599 -7.065 485 HG23 ILE 64 HG23 ILE 64 79.623 4.109 -8.751 486 HD11 ILE 64 HD11 ILE 64 80.364 1.638 -11.422 487 HD12 ILE 64 HD12 ILE 64 80.996 2.075 -9.834 488 HD13 ILE 64 HD13 ILE 64 80.215 3.296 -10.839 489 H THR 65 HN THR 65 81.730 -0.293 -7.272 490 HA THR 65 HA THR 65 83.226 -0.539 -9.459 491 HB THR 65 HB THR 65 82.528 -3.171 -8.183 492 HG1 THR 65 HG1 THR 65 83.479 -2.557 -6.314 493 HG21 THR 65 HG21 THR 65 85.249 -1.937 -8.521 494 HG22 THR 65 HG22 THR 65 84.423 -2.649 -9.907 495 HG23 THR 65 HG23 THR 65 84.798 -3.642 -8.499 496 H VAL 66 HN VAL 66 81.530 -0.126 -11.159 497 HA VAL 66 HA VAL 66 80.472 -0.883 -13.103 498 HB VAL 66 HB VAL 66 81.060 -3.746 -12.470 499 HG11 VAL 66 HG11 VAL 66 81.474 -1.989 -14.909 500 HG12 VAL 66 HG12 VAL 66 80.092 -3.050 -14.634 501 HG13 VAL 66 HG13 VAL 66 81.701 -3.737 -14.853 502 HG21 VAL 66 HG21 VAL 66 83.163 -3.159 -11.779 503 HG22 VAL 66 HG22 VAL 66 83.072 -1.564 -12.526 504 HG23 VAL 66 HG23 VAL 66 83.448 -2.978 -13.510 505 H ILE 67 HN ILE 67 79.943 -2.888 -10.214 506 HA ILE 67 HA ILE 67 77.016 -2.734 -10.738 507 HB ILE 67 HB ILE 67 78.591 -5.239 -10.061 508 HG12 ILE 67 HG12 ILE 67 76.560 -4.748 -12.253 509 HG13 ILE 67 HG11 ILE 67 78.290 -4.491 -12.483 510 HG21 ILE 67 HG21 ILE 67 76.442 -4.840 -8.699 511 HG22 ILE 67 HG22 ILE 67 76.547 -6.356 -9.595 512 HG23 ILE 67 HG23 ILE 67 75.582 -5.022 -10.228 513 HD11 ILE 67 HD11 ILE 67 77.119 -7.104 -11.496 514 HD12 ILE 67 HD12 ILE 67 78.775 -6.803 -12.024 515 HD13 ILE 67 HD13 ILE 67 77.458 -6.776 -13.196 516 H1U RCY 68 H1U RCY 68 73.017 -1.719 -1.614 517 H1S RCY 68 H1S RCY 68 76.160 -1.240 -4.404 518 HB1 RCY 68 HB1 RCY 68 75.251 -0.347 -6.443 519 HB2 RCY 68 HB2 RCY 68 76.414 0.340 -7.577 520 HA RCY 68 HA RCY 68 77.897 -1.663 -6.449 521 HN1 RCY 68 HN1 RCY 68 76.537 -1.368 -8.992 522 HA PRO 69 HA PRO 69 75.384 -5.113 -5.165 523 HB2 PRO 69 HB2 PRO 69 76.228 -5.279 -2.573 524 HB3 PRO 69 HB1 PRO 69 77.215 -5.817 -3.946 525 HG2 PRO 69 HG2 PRO 69 77.378 -3.286 -2.389 526 HG3 PRO 69 HG1 PRO 69 78.678 -4.307 -3.025 527 HD2 PRO 69 HD2 PRO 69 77.859 -1.987 -4.247 528 HD3 PRO 69 HD1 PRO 69 78.583 -3.350 -5.129 529 H TRP 70 HN TRP 70 75.104 -1.933 -3.963 530 HA TRP 70 HA TRP 70 73.037 -2.519 -1.981 531 HD1 TRP 70 HD1 TRP 70 73.065 -1.235 0.317 532 HE1 TRP 70 HE1 TRP 70 71.105 0.059 1.377 533 HE3 TRP 70 HE3 TRP 70 71.759 1.757 -3.609 534 HZ2 TRP 70 HZ2 TRP 70 69.227 2.098 0.655 535 HZ3 TRP 70 HZ3 TRP 70 69.887 3.362 -3.398 536 HH2 TRP 70 HH2 TRP 70 68.619 3.538 -1.275 537 HB2 TRP 70 HB2 TRP 70 74.594 -0.508 -1.915 538 HB3 TRP 70 HB1 TRP 70 73.644 0.163 -3.242 539 H GLU 71 HN GLU 71 72.954 -2.803 -5.255 540 HA GLU 71 HA GLU 71 70.114 -1.821 -5.370 541 HB2 GLU 71 HB2 GLU 71 72.145 -2.038 -7.606 542 HB3 GLU 71 HB1 GLU 71 70.462 -1.559 -7.812 543 HG2 GLU 71 HG2 GLU 71 72.334 -0.117 -5.926 544 HG3 GLU 71 HG1 GLU 71 72.152 0.351 -7.617 545 H ALA 72 HN ALA 72 72.104 -4.034 -7.358 546 HA ALA 72 HA ALA 72 69.843 -5.848 -7.651 547 HB1 ALA 72 HB1 ALA 72 72.757 -6.175 -8.424 548 HB2 ALA 72 HB2 ALA 72 71.473 -5.566 -9.468 549 HB3 ALA 72 HB3 ALA 72 71.447 -7.243 -8.923 550 H1U RCY 73 H1U RCY 73 76.259 -2.466 -3.611 551 H1S RCY 73 H1S RCY 73 76.580 -6.069 -5.427 552 HB1 RCY 73 HB1 RCY 73 74.470 -8.484 -3.760 553 HB2 RCY 73 HB2 RCY 73 74.483 -6.720 -3.779 554 HA RCY 73 HA RCY 73 72.342 -8.595 -4.782 555 HN1 RCY 73 HN1 RCY 73 72.969 -5.978 -5.923 556 H ASN 74 HN ASN 74 70.273 -6.801 -4.202 557 HA ASN 74 HA ASN 74 68.978 -6.067 -2.392 558 HB2 ASN 74 HB2 ASN 74 70.900 -7.535 -0.589 559 HB3 ASN 74 HB1 ASN 74 69.164 -7.295 -0.385 560 HD21 ASN 74 HD21 ASN 74 71.299 -9.689 -1.108 561 HD22 ASN 74 HD22 ASN 74 70.346 -10.639 -2.142 562 H HIS 75 HN HIS 75 70.219 -5.728 0.344 563 HA HIS 75 HA HIS 75 71.053 -2.959 -0.026 564 HD1 HIS 75 HD1 HIS 75 72.840 -2.217 2.982 565 HD2 HIS 75 HD2 HIS 75 68.813 -1.489 2.177 566 HE1 HIS 75 HE1 HIS 75 72.401 0.189 3.643 567 HE2 HIS 75 HE2 HIS 75 69.953 0.644 3.158 568 HB2 HIS 75 HB2 HIS 75 69.732 -4.132 1.958 569 HB3 HIS 75 HB1 HIS 75 71.355 -4.399 2.591 570 H1U RCY 76 H1U RCY 76 77.570 1.072 4.081 571 H1S RCY 76 H1S RCY 76 78.366 -3.258 2.194 572 HB1 RCY 76 HB1 RCY 76 75.737 -1.811 1.270 573 HB2 RCY 76 HB2 RCY 76 74.984 -2.604 -0.113 574 HA RCY 76 HA RCY 76 75.207 -4.758 1.420 575 HN1 RCY 76 HN1 RCY 76 72.945 -3.182 2.323 576 H GLU 77 HN GLU 77 73.508 -3.106 3.729 577 HA GLU 77 HA GLU 77 75.504 -2.039 5.441 578 HB2 GLU 77 HB2 GLU 77 72.829 -2.109 5.582 579 HB3 GLU 77 HB1 GLU 77 73.174 -3.451 6.672 580 HG2 GLU 77 HG2 GLU 77 73.171 -1.590 8.110 581 HG3 GLU 77 HG1 GLU 77 74.886 -1.826 7.768 582 H LEU 78 HN LEU 78 75.007 -3.598 7.870 583 HA LEU 78 HA LEU 78 76.106 -6.270 7.285 584 HG LEU 78 HG LEU 78 79.528 -6.041 8.262 585 HB2 LEU 78 HB2 LEU 78 77.924 -4.272 7.569 586 HB3 LEU 78 HB1 LEU 78 77.713 -4.719 9.258 587 HD11 LEU 78 HD11 LEU 78 77.783 -7.023 9.913 588 HD12 LEU 78 HD12 LEU 78 78.824 -8.153 9.048 589 HD13 LEU 78 HD13 LEU 78 77.164 -7.897 8.512 590 HD21 LEU 78 HD21 LEU 78 79.383 -7.051 6.221 591 HD22 LEU 78 HD22 LEU 78 78.050 -5.925 5.961 592 HD23 LEU 78 HD23 LEU 78 77.720 -7.573 6.493 593 H HIS 79 HN HIS 79 74.626 -3.972 9.432 594 HA HIS 79 HA HIS 79 73.743 -6.225 11.130 595 HD1 HIS 79 HD1 HIS 79 76.341 -5.632 14.584 596 HD2 HIS 79 HD2 HIS 79 72.488 -6.404 13.182 597 HE1 HIS 79 HE1 HIS 79 75.242 -7.133 16.302 598 HE2 HIS 79 HE2 HIS 79 72.896 -7.611 15.461 599 HB2 HIS 79 HB2 HIS 79 75.937 -5.040 12.017 600 HB3 HIS 79 HB1 HIS 79 74.799 -3.810 12.566 601 H GLU 80 HN GLU 80 73.646 -2.653 10.767 602 HA GLU 80 HA GLU 80 71.124 -2.329 12.066 603 HB2 GLU 80 HB2 GLU 80 72.111 -0.594 9.794 604 HB3 GLU 80 HB1 GLU 80 71.087 -0.127 11.149 605 HG2 GLU 80 HG2 GLU 80 73.066 -0.800 12.652 606 HG3 GLU 80 HG1 GLU 80 74.033 -0.789 11.177 607 H LEU 81 HN LEU 81 71.569 -1.849 8.555 608 HA LEU 81 HA LEU 81 68.837 -2.930 8.149 609 HG LEU 81 HG LEU 81 71.005 -0.254 7.611 610 HB2 LEU 81 HB2 LEU 81 70.488 -1.873 5.887 611 HB3 LEU 81 HB1 LEU 81 68.758 -1.704 6.186 612 HD11 LEU 81 HD11 LEU 81 69.956 1.740 6.681 613 HD12 LEU 81 HD12 LEU 81 68.653 0.770 5.994 614 HD13 LEU 81 HD13 LEU 81 70.295 0.607 5.372 615 HD21 LEU 81 HD21 LEU 81 69.576 -0.383 9.390 616 HD22 LEU 81 HD22 LEU 81 68.198 -0.812 8.377 617 HD23 LEU 81 HD23 LEU 81 68.695 0.874 8.522 618 H ALA 82 HN ALA 82 71.285 -4.620 8.718 619 HA ALA 82 HA ALA 82 71.999 -5.992 6.282 620 HB1 ALA 82 HB1 ALA 82 72.896 -6.047 8.889 621 HB2 ALA 82 HB2 ALA 82 73.371 -7.200 7.644 622 HB3 ALA 82 HB3 ALA 82 72.061 -7.595 8.757 623 H GLN 83 HN GLN 83 69.108 -5.604 6.672 624 HA GLN 83 HA GLN 83 67.627 -7.793 7.510 625 HB2 GLN 83 HB2 GLN 83 67.166 -6.460 4.830 626 HB3 GLN 83 HB1 GLN 83 65.960 -7.185 5.893 627 HG2 GLN 83 HG2 GLN 83 67.611 -4.709 6.481 628 HG3 GLN 83 HG1 GLN 83 65.884 -4.752 6.122 629 HE21 GLN 83 HE21 GLN 83 68.026 -4.588 8.688 630 HE22 GLN 83 HE22 GLN 83 67.038 -5.233 9.908 631 H TYR 84 HN TYR 84 68.511 -7.479 4.068 632 HA TYR 84 HA TYR 84 68.218 -10.265 3.539 633 HD1 TYR 84 HD1 TYR 84 68.383 -6.408 2.547 634 HD2 TYR 84 HD2 TYR 84 67.106 -10.050 0.663 635 HE1 TYR 84 HE1 TYR 84 66.289 -5.297 1.819 636 HE2 TYR 84 HE2 TYR 84 65.012 -8.940 -0.065 637 HH TYR 84 HH TYR 84 64.589 -5.637 -0.065 638 HB2 TYR 84 HB2 TYR 84 69.968 -8.266 2.068 639 HB3 TYR 84 HB1 TYR 84 69.373 -9.800 1.433 640 H GLY 85 HN GLY 85 71.131 -8.292 4.192 641 HA2 GLY 85 HA2 GLY 85 73.340 -8.994 4.666 642 HA3 GLY 85 HA1 GLY 85 72.516 -10.054 5.814 643 H ILE 86 HN ILE 86 71.696 -10.466 2.523 644 HA ILE 86 HA ILE 86 73.013 -13.111 2.530 645 HB ILE 86 HB ILE 86 70.542 -12.694 1.914 646 HG12 ILE 86 HG12 ILE 86 72.198 -14.104 -0.196 647 HG13 ILE 86 HG11 ILE 86 71.934 -14.773 1.415 648 HG21 ILE 86 HG21 ILE 86 71.342 -10.742 0.360 649 HG22 ILE 86 HG22 ILE 86 70.018 -11.775 -0.176 650 HG23 ILE 86 HG23 ILE 86 71.645 -12.030 -0.805 651 HD11 ILE 86 HD11 ILE 86 69.411 -14.368 0.923 652 HD12 ILE 86 HD12 ILE 86 70.203 -15.742 0.150 653 HD13 ILE 86 HD13 ILE 86 69.916 -14.260 -0.763 654 H1U RCY 87 H1U RCY 87 76.542 -7.429 1.707 655 H1S RCY 87 H1S RCY 87 79.259 -10.356 -0.985 656 HB1 RCY 87 HB1 RCY 87 77.046 -13.977 0.424 657 HB2 RCY 87 HB2 RCY 87 77.552 -12.719 1.553 658 HA RCY 87 HA RCY 87 76.276 -11.048 0.232 659 HN1 RCY 87 HN1 RCY 87 75.087 -13.024 1.857 Start of MODEL 74 1 HA MET 1 HA MET 1 54.288 -21.734 2.411 2 HB2 MET 1 HB2 MET 1 53.976 -24.297 2.071 3 HB3 MET 1 HB1 MET 1 55.605 -24.252 1.396 4 HG2 MET 1 HG2 MET 1 56.000 -24.682 3.672 5 HG3 MET 1 HG1 MET 1 56.211 -22.935 3.563 6 HE1 MET 1 HE1 MET 1 55.456 -21.619 5.402 7 HE2 MET 1 HE2 MET 1 55.968 -23.095 6.215 8 HE3 MET 1 HE3 MET 1 54.486 -22.288 6.720 9 H ASN 2 HN ASN 2 55.651 -22.278 -0.765 10 HA ASN 2 HA ASN 2 58.354 -21.480 -0.018 11 HB2 ASN 2 HB2 ASN 2 57.777 -22.942 -2.002 12 HB3 ASN 2 HB1 ASN 2 57.121 -21.503 -2.786 13 HD21 ASN 2 HD21 ASN 2 60.086 -23.143 -1.866 14 HD22 ASN 2 HD22 ASN 2 61.149 -22.032 -2.586 15 H LEU 3 HN LEU 3 59.352 -19.506 -1.136 16 HA LEU 3 HA LEU 3 57.731 -17.168 -0.468 17 HG LEU 3 HG LEU 3 60.574 -18.642 0.111 18 HB2 LEU 3 HB2 LEU 3 60.425 -17.168 -1.845 19 HB3 LEU 3 HB1 LEU 3 59.716 -15.896 -0.850 20 HD11 LEU 3 HD11 LEU 3 62.362 -16.892 -0.403 21 HD12 LEU 3 HD12 LEU 3 62.346 -17.508 1.249 22 HD13 LEU 3 HD13 LEU 3 61.655 -15.926 0.892 23 HD21 LEU 3 HD21 LEU 3 60.092 -17.486 2.379 24 HD22 LEU 3 HD22 LEU 3 58.708 -18.047 1.442 25 HD23 LEU 3 HD23 LEU 3 59.142 -16.337 1.436 26 H GLU 4 HN GLU 4 56.025 -17.199 -2.019 27 HA GLU 4 HA GLU 4 56.497 -17.403 -4.853 28 HB2 GLU 4 HB2 GLU 4 54.155 -16.035 -3.510 29 HB3 GLU 4 HB1 GLU 4 54.190 -16.783 -5.107 30 HG2 GLU 4 HG2 GLU 4 54.566 -18.988 -4.081 31 HG3 GLU 4 HG1 GLU 4 54.561 -18.250 -2.479 32 HA PRO 5 HA PRO 5 58.588 -13.417 -5.335 33 HB2 PRO 5 HB2 PRO 5 57.262 -13.767 -8.009 34 HB3 PRO 5 HB1 PRO 5 58.912 -13.226 -7.635 35 HG2 PRO 5 HG2 PRO 5 58.410 -15.721 -8.426 36 HG3 PRO 5 HG1 PRO 5 59.656 -15.365 -7.219 37 HD2 PRO 5 HD2 PRO 5 57.022 -16.675 -6.850 38 HD3 PRO 5 HD1 PRO 5 58.479 -16.768 -5.837 39 HA PRO 6 HA PRO 6 54.627 -11.169 -4.827 40 HB2 PRO 6 HB2 PRO 6 55.292 -9.748 -2.642 41 HB3 PRO 6 HB1 PRO 6 54.896 -11.475 -2.533 42 HG2 PRO 6 HG2 PRO 6 57.541 -10.139 -2.431 43 HG3 PRO 6 HG1 PRO 6 56.971 -11.589 -1.591 44 HD2 PRO 6 HD2 PRO 6 58.546 -11.537 -3.940 45 HD3 PRO 6 HD1 PRO 6 57.713 -12.955 -3.265 46 H LYS 7 HN LYS 7 54.129 -8.806 -4.908 47 HA LYS 7 HA LYS 7 56.385 -7.205 -6.061 48 HB2 LYS 7 HB2 LYS 7 53.446 -7.164 -6.814 49 HB3 LYS 7 HB1 LYS 7 54.670 -6.070 -7.458 50 HG2 LYS 7 HG2 LYS 7 55.904 -7.957 -8.406 51 HG3 LYS 7 HG1 LYS 7 54.753 -9.092 -7.700 52 HD2 LYS 7 HD2 LYS 7 53.898 -6.906 -9.605 53 HD3 LYS 7 HD1 LYS 7 54.387 -8.505 -10.166 54 HE2 LYS 7 HE2 LYS 7 52.324 -9.277 -9.714 55 HE3 LYS 7 HE1 LYS 7 52.568 -8.889 -8.011 56 HZ1 LYS 7 HZ1 LYS 7 50.779 -7.584 -8.486 57 HZ2 LYS 7 HZ2 LYS 7 51.234 -7.331 -10.103 58 HZ3 LYS 7 HZ3 LYS 7 52.023 -6.491 -8.855 59 H ALA 8 HN ALA 8 53.832 -7.417 -3.766 60 HA ALA 8 HA ALA 8 54.012 -4.510 -3.135 61 HB1 ALA 8 HB1 ALA 8 51.758 -5.641 -3.335 62 HB2 ALA 8 HB2 ALA 8 52.034 -4.837 -1.790 63 HB3 ALA 8 HB3 ALA 8 52.180 -6.591 -1.911 64 H GLU 9 HN GLU 9 56.279 -4.967 -2.350 65 HA GLU 9 HA GLU 9 57.043 -6.649 -0.282 66 HB2 GLU 9 HB2 GLU 9 58.574 -5.081 -1.430 67 HB3 GLU 9 HB1 GLU 9 57.819 -3.732 -0.584 68 HG2 GLU 9 HG2 GLU 9 58.565 -5.769 1.320 69 HG3 GLU 9 HG1 GLU 9 59.962 -5.340 0.332 70 H1U RCY 10 H1U RCY 10 57.278 -3.932 6.341 71 H1S RCY 10 H1S RCY 10 52.973 -5.515 6.334 72 HB1 RCY 10 HB1 RCY 10 53.331 -7.403 2.831 73 HB2 RCY 10 HB2 RCY 10 52.786 -6.041 1.853 74 HA RCY 10 HA RCY 10 54.604 -4.653 2.918 75 HN1 RCY 10 HN1 RCY 10 55.411 -7.008 1.264 76 H ARG 11 HN ARG 11 54.577 -4.975 5.271 77 HA ARG 11 HA ARG 11 56.943 -5.969 6.363 78 HE ARG 11 HE ARG 11 52.123 -6.116 9.820 79 HB2 ARG 11 HB2 ARG 11 55.495 -6.246 8.537 80 HB3 ARG 11 HB1 ARG 11 55.738 -4.642 7.858 81 HG2 ARG 11 HG2 ARG 11 53.432 -4.611 8.104 82 HG3 ARG 11 HG1 ARG 11 53.548 -5.277 6.475 83 HD2 ARG 11 HD2 ARG 11 52.118 -6.814 7.483 84 HD3 ARG 11 HD1 ARG 11 53.683 -7.582 7.749 85 HH11 ARG 11 HH21 ARG 11 54.750 -8.095 8.789 86 HH12 ARG 11 HH22 ARG 11 55.201 -8.563 10.395 87 HH21 ARG 11 HH11 ARG 11 52.697 -6.715 11.923 88 HH22 ARG 11 HH12 ARG 11 54.039 -7.782 12.169 89 H SER 12 HN SER 12 54.336 -7.782 5.119 90 HA SER 12 HA SER 12 55.017 -10.194 6.703 91 HG SER 12 HG SER 12 53.468 -11.660 6.695 92 HB2 SER 12 HB2 SER 12 52.621 -9.513 6.050 93 HB3 SER 12 HB1 SER 12 53.041 -10.035 4.421 94 H ALA 13 HN ALA 13 56.639 -8.762 4.415 95 HA ALA 13 HA ALA 13 56.811 -10.719 2.297 96 HB1 ALA 13 HB1 ALA 13 58.701 -9.465 1.525 97 HB2 ALA 13 HB2 ALA 13 58.980 -8.777 3.125 98 HB3 ALA 13 HB3 ALA 13 57.569 -8.287 2.188 99 H THR 14 HN THR 14 59.441 -11.382 2.007 100 HA THR 14 HA THR 14 59.846 -13.261 4.274 101 HB THR 14 HB THR 14 60.350 -14.686 2.592 102 HG1 THR 14 HG1 THR 14 62.343 -14.198 1.424 103 HG21 THR 14 HG21 THR 14 60.425 -12.251 0.786 104 HG22 THR 14 HG22 THR 14 59.010 -13.253 1.111 105 HG23 THR 14 HG23 THR 14 60.387 -13.927 0.238 106 H ARG 15 HN ARG 15 61.910 -13.400 5.329 107 HA ARG 15 HA ARG 15 63.229 -10.826 5.618 108 HE ARG 15 HE ARG 15 61.434 -15.578 7.997 109 HB2 ARG 15 HB2 ARG 15 64.758 -13.008 6.776 110 HB3 ARG 15 HB1 ARG 15 63.916 -11.694 7.591 111 HG2 ARG 15 HG2 ARG 15 62.753 -13.554 8.396 112 HG3 ARG 15 HG1 ARG 15 61.760 -13.094 7.013 113 HD2 ARG 15 HD2 ARG 15 62.859 -14.759 5.613 114 HD3 ARG 15 HD1 ARG 15 63.971 -15.166 6.920 115 HH11 ARG 15 HH21 ARG 15 63.245 -16.635 5.260 116 HH12 ARG 15 HH22 ARG 15 62.480 -18.187 5.186 117 HH21 ARG 15 HH11 ARG 15 60.424 -17.599 7.917 118 HH22 ARG 15 HH12 ARG 15 60.883 -18.733 6.690 119 H VAL 16 HN VAL 16 63.712 -13.620 3.656 120 HA VAL 16 HA VAL 16 66.523 -13.413 3.191 121 HB VAL 16 HB VAL 16 64.551 -14.229 1.058 122 HG11 VAL 16 HG11 VAL 16 66.289 -15.622 0.311 123 HG12 VAL 16 HG12 VAL 16 67.095 -15.614 1.880 124 HG13 VAL 16 HG13 VAL 16 67.153 -14.183 0.852 125 HG21 VAL 16 HG21 VAL 16 65.284 -15.691 3.607 126 HG22 VAL 16 HG22 VAL 16 64.648 -16.518 2.185 127 HG23 VAL 16 HG23 VAL 16 63.669 -15.305 3.010 128 H MET 17 HN MET 17 65.881 -13.164 0.137 129 HA MET 17 HA MET 17 65.047 -10.547 -0.479 130 HB2 MET 17 HB2 MET 17 67.626 -10.613 0.832 131 HB3 MET 17 HB1 MET 17 67.835 -10.057 -0.825 132 HG2 MET 17 HG2 MET 17 66.229 -8.292 -0.523 133 HG3 MET 17 HG1 MET 17 65.726 -8.939 1.038 134 HE1 MET 17 HE1 MET 17 67.322 -5.813 2.361 135 HE2 MET 17 HE2 MET 17 66.285 -7.144 2.867 136 HE3 MET 17 HE3 MET 17 65.983 -6.335 1.332 137 H GLY 18 HN GLY 18 64.367 -12.228 -2.093 138 HA2 GLY 18 HA2 GLY 18 66.343 -12.323 -4.318 139 HA3 GLY 18 HA1 GLY 18 65.546 -13.819 -3.826 140 H GLY 19 HN GLY 19 63.879 -14.305 -5.161 141 HA2 GLY 19 HA2 GLY 19 61.983 -14.031 -6.517 142 HA3 GLY 19 HA1 GLY 19 61.668 -12.552 -5.606 143 HA PRO 20 HA PRO 20 64.128 -12.116 -9.985 144 HB2 PRO 20 HB2 PRO 20 61.331 -12.264 -11.069 145 HB3 PRO 20 HB1 PRO 20 62.863 -12.716 -11.842 146 HG2 PRO 20 HG2 PRO 20 61.222 -14.551 -10.823 147 HG3 PRO 20 HG1 PRO 20 62.982 -14.726 -10.729 148 HD2 PRO 20 HD2 PRO 20 61.044 -14.096 -8.564 149 HD3 PRO 20 HD1 PRO 20 62.650 -14.849 -8.457 150 H1U RCY 21 H1U RCY 21 65.389 -2.167 -3.597 151 H1S RCY 21 H1S RCY 21 63.688 -5.696 -5.175 152 HB1 RCY 21 HB1 RCY 21 64.779 -7.457 -7.843 153 HB2 RCY 21 HB2 RCY 21 63.670 -8.441 -6.887 154 HA RCY 21 HA RCY 21 62.071 -8.139 -8.956 155 HN1 RCY 21 HN1 RCY 21 64.231 -10.099 -8.585 156 H THR 22 HN THR 22 62.651 -5.932 -9.844 157 HA THR 22 HA THR 22 64.500 -6.229 -12.185 158 HB THR 22 HB THR 22 62.028 -4.512 -11.827 159 HG1 THR 22 HG1 THR 22 61.530 -6.622 -12.307 160 HG21 THR 22 HG21 THR 22 64.088 -4.668 -14.034 161 HG22 THR 22 HG22 THR 22 63.558 -3.240 -13.146 162 HG23 THR 22 HG23 THR 22 62.469 -4.019 -14.293 163 HA PRO 23 HA PRO 23 66.642 -3.156 -9.496 164 HB2 PRO 23 HB2 PRO 23 68.792 -3.670 -11.485 165 HB3 PRO 23 HB1 PRO 23 68.857 -3.734 -9.714 166 HG2 PRO 23 HG2 PRO 23 68.890 -5.945 -11.217 167 HG3 PRO 23 HG1 PRO 23 68.098 -5.895 -9.633 168 HD2 PRO 23 HD2 PRO 23 66.858 -5.860 -12.362 169 HD3 PRO 23 HD1 PRO 23 66.262 -6.604 -10.860 170 H ARG 24 HN ARG 24 68.693 -1.754 -11.183 171 HA ARG 24 HA ARG 24 66.815 0.123 -12.520 172 HE ARG 24 HE ARG 24 70.077 2.693 -9.647 173 HB2 ARG 24 HB2 ARG 24 69.022 1.508 -12.666 174 HB3 ARG 24 HB1 ARG 24 68.251 1.320 -11.091 175 HG2 ARG 24 HG2 ARG 24 69.763 -0.493 -10.510 176 HG3 ARG 24 HG1 ARG 24 70.472 -0.466 -12.125 177 HD2 ARG 24 HD2 ARG 24 71.981 0.762 -10.740 178 HD3 ARG 24 HD1 ARG 24 71.088 1.971 -11.663 179 HH11 ARG 24 HH21 ARG 24 71.651 -0.357 -9.324 180 HH12 ARG 24 HH22 ARG 24 71.475 -0.415 -7.602 181 HH21 ARG 24 HH11 ARG 24 69.839 2.635 -7.400 182 HH22 ARG 24 HH12 ARG 24 70.449 1.279 -6.513 183 H LYS 25 HN LYS 25 69.561 -1.995 -13.182 184 HA LYS 25 HA LYS 25 68.952 -1.762 -16.081 185 HB2 LYS 25 HB2 LYS 25 71.614 -1.197 -14.772 186 HB3 LYS 25 HB1 LYS 25 71.531 -1.776 -16.433 187 HG2 LYS 25 HG2 LYS 25 71.255 0.393 -17.027 188 HG3 LYS 25 HG1 LYS 25 69.625 0.250 -16.367 189 HD2 LYS 25 HD2 LYS 25 70.502 2.105 -15.216 190 HD3 LYS 25 HD1 LYS 25 70.749 0.778 -14.080 191 HE2 LYS 25 HE2 LYS 25 73.061 0.570 -14.697 192 HE3 LYS 25 HE1 LYS 25 72.857 1.663 -16.066 193 HZ1 LYS 25 HZ1 LYS 25 72.078 3.301 -14.234 194 HZ2 LYS 25 HZ2 LYS 25 73.739 3.046 -14.485 195 HZ3 LYS 25 HZ3 LYS 25 72.946 2.280 -13.193 196 H GLY 26 HN GLY 26 71.669 -3.272 -14.334 197 HA2 GLY 26 HA2 GLY 26 70.464 -5.931 -14.532 198 HA3 GLY 26 HA1 GLY 26 71.788 -5.670 -15.668 199 HA PRO 27 HA PRO 27 73.218 -7.347 -11.401 200 HB2 PRO 27 HB2 PRO 27 75.172 -8.798 -12.960 201 HB3 PRO 27 HB1 PRO 27 73.841 -9.451 -11.992 202 HG2 PRO 27 HG2 PRO 27 74.012 -9.020 -14.877 203 HG3 PRO 27 HG1 PRO 27 72.934 -10.075 -13.951 204 HD2 PRO 27 HD2 PRO 27 72.062 -7.807 -15.199 205 HD3 PRO 27 HD1 PRO 27 71.312 -8.433 -13.712 206 HA PRO 28 HA PRO 28 76.755 -4.822 -10.662 207 HB2 PRO 28 HB2 PRO 28 78.487 -7.266 -10.905 208 HB3 PRO 28 HB1 PRO 28 78.510 -5.992 -9.669 209 HG2 PRO 28 HG2 PRO 28 77.365 -8.366 -9.225 210 HG3 PRO 28 HG1 PRO 28 76.712 -6.868 -8.543 211 HD2 PRO 28 HD2 PRO 28 75.603 -8.571 -10.692 212 HD3 PRO 28 HD1 PRO 28 74.782 -7.377 -9.665 213 H LYS 29 HN LYS 29 77.757 -3.494 -12.117 214 HA LYS 29 HA LYS 29 79.368 -4.580 -14.305 215 HB2 LYS 29 HB2 LYS 29 78.030 -3.378 -16.068 216 HB3 LYS 29 HB1 LYS 29 77.186 -4.748 -15.349 217 HG2 LYS 29 HG2 LYS 29 75.922 -3.272 -13.890 218 HG3 LYS 29 HG1 LYS 29 76.843 -1.875 -14.448 219 HD2 LYS 29 HD2 LYS 29 74.808 -1.815 -15.684 220 HD3 LYS 29 HD1 LYS 29 76.012 -2.459 -16.802 221 HE2 LYS 29 HE2 LYS 29 74.406 -4.340 -15.094 222 HE3 LYS 29 HE1 LYS 29 73.702 -3.678 -16.570 223 HZ1 LYS 29 HZ1 LYS 29 75.733 -5.674 -16.255 224 HZ2 LYS 29 HZ2 LYS 29 76.199 -4.439 -17.325 225 HZ3 LYS 29 HZ3 LYS 29 74.770 -5.314 -17.605 226 H1U RCY 30 H1U RCY 30 77.292 4.335 -9.083 227 H1S RCY 30 H1S RCY 30 76.542 2.723 -13.294 228 HB1 RCY 30 HB1 RCY 30 79.642 1.507 -13.585 229 HB2 RCY 30 HB2 RCY 30 79.174 0.024 -12.753 230 HA RCY 30 HA RCY 30 79.753 0.241 -15.724 231 HN1 RCY 30 HN1 RCY 30 78.650 -1.836 -15.664 232 H LYS 31 HN LYS 31 81.492 1.485 -13.977 233 HA LYS 31 HA LYS 31 83.815 -0.390 -14.005 234 HB2 LYS 31 HB2 LYS 31 85.059 1.887 -13.654 235 HB3 LYS 31 HB1 LYS 31 84.403 1.515 -15.249 236 HG2 LYS 31 HG2 LYS 31 82.439 2.863 -14.832 237 HG3 LYS 31 HG1 LYS 31 82.905 3.102 -13.147 238 HD2 LYS 31 HD2 LYS 31 84.985 4.250 -13.938 239 HD3 LYS 31 HD1 LYS 31 84.383 4.118 -15.591 240 HE2 LYS 31 HE2 LYS 31 83.247 5.723 -13.304 241 HE3 LYS 31 HE1 LYS 31 83.697 6.275 -14.918 242 HZ1 LYS 31 HZ1 LYS 31 81.491 4.369 -14.361 243 HZ2 LYS 31 HZ2 LYS 31 81.873 5.082 -15.855 244 HZ3 LYS 31 HZ3 LYS 31 81.274 6.036 -14.583 245 H GLN 32 HN GLN 32 84.732 -0.994 -12.077 246 HA GLN 32 HA GLN 32 84.018 0.561 -9.628 247 HB2 GLN 32 HB2 GLN 32 83.722 -1.592 -8.411 248 HB3 GLN 32 HB1 GLN 32 82.526 -1.375 -9.689 249 HG2 GLN 32 HG2 GLN 32 84.221 -2.667 -11.184 250 HG3 GLN 32 HG1 GLN 32 84.935 -3.183 -9.655 251 HE21 GLN 32 HE21 GLN 32 82.225 -3.635 -11.813 252 HE22 GLN 32 HE22 GLN 32 81.427 -4.811 -10.886 253 H ARG 33 HN ARG 33 86.315 -1.263 -11.446 254 HA ARG 33 HA ARG 33 88.211 -1.833 -9.385 255 HE ARG 33 HE ARG 33 88.898 -3.500 -9.328 256 HB2 ARG 33 HB2 ARG 33 88.303 -2.757 -11.716 257 HB3 ARG 33 HB1 ARG 33 88.790 -1.161 -12.283 258 HG2 ARG 33 HG2 ARG 33 90.915 -1.850 -11.892 259 HG3 ARG 33 HG1 ARG 33 90.536 -1.617 -10.184 260 HD2 ARG 33 HD2 ARG 33 90.048 -4.200 -11.694 261 HD3 ARG 33 HD1 ARG 33 91.469 -3.891 -10.695 262 HH11 ARG 33 HH21 ARG 33 91.513 -5.584 -10.168 263 HH12 ARG 33 HH22 ARG 33 91.252 -6.666 -8.841 264 HH21 ARG 33 HH11 ARG 33 88.542 -4.901 -7.590 265 HH22 ARG 33 HH12 ARG 33 89.570 -6.279 -7.381 266 H GLN 34 HN GLN 34 88.110 0.868 -11.697 267 HA GLN 34 HA GLN 34 89.205 2.955 -11.619 268 HB2 GLN 34 HB2 GLN 34 87.254 2.884 -9.794 269 HB3 GLN 34 HB1 GLN 34 88.613 3.065 -8.685 270 HG2 GLN 34 HG2 GLN 34 89.371 5.055 -9.944 271 HG3 GLN 34 HG1 GLN 34 87.996 4.882 -11.036 272 HE21 GLN 34 HE21 GLN 34 88.016 4.425 -7.475 273 HE22 GLN 34 HE22 GLN 34 86.903 5.665 -7.155 274 H THR 35 HN THR 35 90.345 3.950 -8.985 275 HA THR 35 HA THR 35 92.898 2.384 -9.093 276 HB THR 35 HB THR 35 92.679 5.246 -8.160 277 HG1 THR 35 HG1 THR 35 91.837 5.233 -10.228 278 HG21 THR 35 HG21 THR 35 95.045 5.270 -8.911 279 HG22 THR 35 HG22 THR 35 94.896 3.575 -9.377 280 HG23 THR 35 HG23 THR 35 94.755 4.040 -7.681 281 H ARG 36 HN ARG 36 90.224 2.895 -7.217 282 HA ARG 36 HA ARG 36 89.782 2.660 -4.920 283 HE ARG 36 HE ARG 36 90.065 -0.541 -2.939 284 HB2 ARG 36 HB2 ARG 36 92.293 0.997 -5.249 285 HB3 ARG 36 HB1 ARG 36 91.343 1.031 -3.763 286 HG2 ARG 36 HG2 ARG 36 89.326 0.389 -5.160 287 HG3 ARG 36 HG1 ARG 36 90.437 0.115 -6.503 288 HD2 ARG 36 HD2 ARG 36 89.959 -1.983 -5.267 289 HD3 ARG 36 HD1 ARG 36 91.665 -1.544 -5.175 290 HH11 ARG 36 HH21 ARG 36 91.935 -3.106 -4.284 291 HH12 ARG 36 HH22 ARG 36 92.345 -3.791 -2.747 292 HH21 ARG 36 HH11 ARG 36 90.590 -1.421 -0.924 293 HH22 ARG 36 HH12 ARG 36 91.584 -2.837 -0.845 294 H GLN 37 HN GLN 37 90.072 4.777 -4.156 295 HA GLN 37 HA GLN 37 92.568 5.216 -2.633 296 HB2 GLN 37 HB2 GLN 37 92.755 6.230 -5.008 297 HB3 GLN 37 HB1 GLN 37 91.553 7.397 -4.463 298 HG2 GLN 37 HG2 GLN 37 93.182 8.585 -3.458 299 HG3 GLN 37 HG1 GLN 37 93.527 7.204 -2.416 300 HE21 GLN 37 HE21 GLN 37 94.121 8.059 -5.884 301 HE22 GLN 37 HE22 GLN 37 95.735 7.534 -5.882 302 H1U RCY 38 H1U RCY 38 86.761 4.231 -0.535 303 H1S RCY 38 H1S RCY 38 88.945 6.124 -2.154 304 HB1 RCY 38 HB1 RCY 38 88.908 8.359 -2.528 305 HB2 RCY 38 HB2 RCY 38 88.444 9.426 -1.205 306 HA RCY 38 HA RCY 38 90.644 9.256 -0.621 307 HN1 RCY 38 HN1 RCY 38 91.935 7.996 -2.112 308 H LYS 39 HN LYS 39 91.413 6.116 -0.188 309 HA LYS 39 HA LYS 39 89.920 5.802 2.372 310 HB2 LYS 39 HB2 LYS 39 91.189 3.497 2.254 311 HB3 LYS 39 HB1 LYS 39 89.783 3.768 1.226 312 HG2 LYS 39 HG2 LYS 39 91.173 4.298 -0.670 313 HG3 LYS 39 HG1 LYS 39 92.625 4.314 0.333 314 HD2 LYS 39 HD2 LYS 39 90.964 1.828 0.307 315 HD3 LYS 39 HD1 LYS 39 91.974 2.167 -1.100 316 HE2 LYS 39 HE2 LYS 39 93.110 2.342 1.686 317 HE3 LYS 39 HE1 LYS 39 93.013 0.793 0.848 318 HZ1 LYS 39 HZ1 LYS 39 94.223 3.173 -0.422 319 HZ2 LYS 39 HZ2 LYS 39 94.408 1.538 -0.845 320 HZ3 LYS 39 HZ3 LYS 39 95.131 2.139 0.570 321 H SER 40 HN SER 40 91.136 5.371 4.327 322 HA SER 40 HA SER 40 92.946 5.646 5.804 323 HG SER 40 HG SER 40 94.547 3.374 3.955 324 HB2 SER 40 HB2 SER 40 94.877 5.924 3.527 325 HB3 SER 40 HB1 SER 40 95.070 5.077 5.060 326 H LYS 41 HN LYS 41 92.615 7.713 3.006 327 HA LYS 41 HA LYS 41 93.362 10.053 4.693 328 HB2 LYS 41 HB2 LYS 41 94.302 10.994 2.431 329 HB3 LYS 41 HB1 LYS 41 95.303 9.906 3.393 330 HG2 LYS 41 HG2 LYS 41 94.710 8.019 2.016 331 HG3 LYS 41 HG1 LYS 41 93.486 8.959 1.163 332 HD2 LYS 41 HD2 LYS 41 95.569 8.742 -0.169 333 HD3 LYS 41 HD1 LYS 41 95.224 10.424 0.237 334 HE2 LYS 41 HE2 LYS 41 97.649 9.527 0.592 335 HE3 LYS 41 HE1 LYS 41 96.919 10.515 1.858 336 HZ1 LYS 41 HZ1 LYS 41 98.027 8.200 2.375 337 HZ2 LYS 41 HZ2 LYS 41 96.481 7.628 1.963 338 HZ3 LYS 41 HZ3 LYS 41 96.667 8.744 3.230 339 HA PRO 42 HA PRO 42 89.165 10.486 2.800 340 HB2 PRO 42 HB2 PRO 42 88.378 12.430 4.650 341 HB3 PRO 42 HB1 PRO 42 88.096 10.687 4.805 342 HG2 PRO 42 HG2 PRO 42 90.179 12.382 6.058 343 HG3 PRO 42 HG1 PRO 42 89.341 10.959 6.696 344 HD2 PRO 42 HD2 PRO 42 91.908 10.854 5.783 345 HD3 PRO 42 HD1 PRO 42 90.797 9.471 5.667 346 HA PRO 43 HA PRO 43 90.006 14.128 0.426 347 HB2 PRO 43 HB2 PRO 43 87.475 14.845 -0.333 348 HB3 PRO 43 HB1 PRO 43 88.329 13.441 -1.005 349 HG2 PRO 43 HG2 PRO 43 86.239 13.538 1.113 350 HG3 PRO 43 HG1 PRO 43 86.453 12.381 -0.211 351 HD2 PRO 43 HD2 PRO 43 87.212 11.841 2.362 352 HD3 PRO 43 HD1 PRO 43 88.029 11.139 0.948 353 H LYS 44 HN LYS 44 89.517 16.501 0.303 354 HA LYS 44 HA LYS 44 89.782 17.933 2.611 355 HB2 LYS 44 HB2 LYS 44 88.154 19.668 1.314 356 HB3 LYS 44 HB1 LYS 44 89.821 19.373 0.819 357 HG2 LYS 44 HG2 LYS 44 89.178 17.924 -0.924 358 HG3 LYS 44 HG1 LYS 44 87.574 17.664 -0.237 359 HD2 LYS 44 HD2 LYS 44 87.589 19.195 -2.237 360 HD3 LYS 44 HD1 LYS 44 86.902 19.923 -0.785 361 HE2 LYS 44 HE2 LYS 44 89.836 20.238 -1.340 362 HE3 LYS 44 HE1 LYS 44 88.680 21.259 -2.195 363 HZ1 LYS 44 HZ1 LYS 44 89.563 21.424 0.495 364 HZ2 LYS 44 HZ2 LYS 44 87.873 21.258 0.437 365 HZ3 LYS 44 HZ3 LYS 44 88.634 22.528 -0.397 366 H LYS 45 HN LYS 45 86.568 17.225 1.182 367 HA LYS 45 HA LYS 45 85.183 18.142 3.571 368 HB2 LYS 45 HB2 LYS 45 83.166 17.274 2.458 369 HB3 LYS 45 HB1 LYS 45 84.131 18.226 1.329 370 HG2 LYS 45 HG2 LYS 45 85.231 15.959 0.695 371 HG3 LYS 45 HG1 LYS 45 83.829 15.231 1.482 372 HD2 LYS 45 HD2 LYS 45 82.345 16.597 0.009 373 HD3 LYS 45 HD1 LYS 45 83.778 17.192 -0.830 374 HE2 LYS 45 HE2 LYS 45 83.145 15.390 -2.179 375 HE3 LYS 45 HE1 LYS 45 84.340 14.647 -1.115 376 HZ1 LYS 45 HZ1 LYS 45 82.126 13.460 -1.413 377 HZ2 LYS 45 HZ2 LYS 45 81.468 14.675 -0.425 378 HZ3 LYS 45 HZ3 LYS 45 82.693 13.661 0.173 379 H GLY 46 HN GLY 46 83.275 15.821 3.507 380 HA2 GLY 46 HA2 GLY 46 82.965 13.929 4.872 381 HA3 GLY 46 HA1 GLY 46 84.430 13.345 4.080 382 H VAL 47 HN VAL 47 83.946 16.062 6.348 383 HA VAL 47 HA VAL 47 86.363 15.560 7.777 384 HB VAL 47 HB VAL 47 85.404 17.067 9.502 385 HG11 VAL 47 HG11 VAL 47 86.407 18.180 7.645 386 HG12 VAL 47 HG12 VAL 47 84.853 18.978 7.887 387 HG13 VAL 47 HG13 VAL 47 85.046 17.799 6.590 388 HG21 VAL 47 HG21 VAL 47 82.899 16.677 7.841 389 HG22 VAL 47 HG22 VAL 47 83.096 17.998 8.994 390 HG23 VAL 47 HG23 VAL 47 83.113 16.326 9.556 391 H GLN 48 HN GLN 48 86.717 14.495 9.781 392 HA GLN 48 HA GLN 48 85.402 12.062 10.236 393 HB2 GLN 48 HB2 GLN 48 86.431 12.095 12.485 394 HB3 GLN 48 HB1 GLN 48 87.575 12.618 11.250 395 HG2 GLN 48 HG2 GLN 48 87.899 14.341 12.739 396 HG3 GLN 48 HG1 GLN 48 86.514 15.013 11.876 397 HE21 GLN 48 HE21 GLN 48 85.434 16.074 13.602 398 HE22 GLN 48 HE22 GLN 48 84.868 15.273 14.987 399 H GLY 49 HN GLY 49 83.368 11.639 10.907 400 HA2 GLY 49 HA2 GLY 49 81.868 12.109 12.984 401 HA3 GLY 49 HA1 GLY 49 81.887 13.769 12.385 402 H1U RCY 50 H1U RCY 50 77.365 4.824 5.377 403 H1S RCY 50 H1S RCY 50 79.476 7.546 8.457 404 HB1 RCY 50 HB1 RCY 50 78.460 10.591 8.828 405 HB2 RCY 50 HB2 RCY 50 79.664 10.356 10.094 406 HA RCY 50 HA RCY 50 80.401 12.201 7.874 407 HN1 RCY 50 HN1 RCY 50 81.974 12.602 9.562 408 H GLY 51 HN GLY 51 79.027 13.753 7.201 409 HA2 GLY 51 HA2 GLY 51 76.820 14.593 9.035 410 HA3 GLY 51 HA1 GLY 51 77.771 15.797 8.161 411 H ASP 52 HN ASP 52 75.187 15.976 7.599 412 HA ASP 52 HA ASP 52 74.281 14.200 5.496 413 HB2 ASP 52 HB2 ASP 52 72.590 16.099 5.118 414 HB3 ASP 52 HB1 ASP 52 72.573 15.332 6.707 415 H ASP 53 HN ASP 53 76.767 14.823 4.672 416 HA ASP 53 HA ASP 53 77.277 17.128 3.190 417 HB2 ASP 53 HB2 ASP 53 77.971 14.243 2.591 418 HB3 ASP 53 HB1 ASP 53 78.591 15.590 1.636 419 H ILE 54 HN ILE 54 77.240 17.239 0.680 420 HA ILE 54 HA ILE 54 74.595 17.376 -0.238 421 HB ILE 54 HB ILE 54 75.524 17.578 -2.485 422 HG12 ILE 54 HG12 ILE 54 77.981 16.346 -1.204 423 HG13 ILE 54 HG11 ILE 54 77.026 15.690 -2.535 424 HG21 ILE 54 HG21 ILE 54 75.938 19.365 -0.686 425 HG22 ILE 54 HG22 ILE 54 76.986 19.417 -2.104 426 HG23 ILE 54 HG23 ILE 54 77.581 18.729 -0.592 427 HD11 ILE 54 HD11 ILE 54 78.851 18.095 -2.554 428 HD12 ILE 54 HD12 ILE 54 77.623 17.857 -3.797 429 HD13 ILE 54 HD13 ILE 54 78.910 16.669 -3.590 430 HA PRO 55 HA PRO 55 73.613 13.085 -0.923 431 HB2 PRO 55 HB2 PRO 55 71.444 13.365 -2.549 432 HB3 PRO 55 HB1 PRO 55 71.398 13.758 -0.820 433 HG2 PRO 55 HG2 PRO 55 71.677 15.585 -3.156 434 HG3 PRO 55 HG1 PRO 55 70.720 15.781 -1.677 435 HD2 PRO 55 HD2 PRO 55 73.153 16.995 -2.058 436 HD3 PRO 55 HD1 PRO 55 72.524 16.559 -0.453 437 H GLY 56 HN GLY 56 75.781 13.951 -2.531 438 HA2 GLY 56 HA2 GLY 56 76.915 13.253 -4.468 439 HA3 GLY 56 HA1 GLY 56 75.587 12.125 -4.750 440 H MET 57 HN MET 57 75.119 15.591 -4.399 441 HA MET 57 HA MET 57 74.187 17.143 -5.887 442 HB2 MET 57 HB2 MET 57 76.483 16.690 -6.918 443 HB3 MET 57 HB1 MET 57 75.666 15.590 -8.025 444 HG2 MET 57 HG2 MET 57 74.361 18.219 -7.795 445 HG3 MET 57 HG1 MET 57 75.993 18.291 -8.461 446 HE1 MET 57 HE1 MET 57 74.013 19.350 -10.283 447 HE2 MET 57 HE2 MET 57 72.675 18.526 -9.485 448 HE3 MET 57 HE3 MET 57 72.952 18.278 -11.207 449 H GLU 58 HN GLU 58 72.393 15.213 -5.256 450 HA GLU 58 HA GLU 58 70.938 14.846 -7.822 451 HB2 GLU 58 HB2 GLU 58 72.280 12.729 -6.746 452 HB3 GLU 58 HB1 GLU 58 70.732 12.571 -5.920 453 HG2 GLU 58 HG2 GLU 58 70.415 11.335 -7.901 454 HG3 GLU 58 HG1 GLU 58 69.687 12.896 -8.277 455 H GLY 59 HN GLY 59 70.419 13.790 -4.436 456 HA2 GLY 59 HA2 GLY 59 68.852 15.579 -3.252 457 HA3 GLY 59 HA1 GLY 59 67.749 15.087 -4.538 458 H1U RCY 60 H1U RCY 60 73.800 9.531 -3.437 459 H1S RCY 60 H1S RCY 60 71.646 10.537 -5.449 460 HB1 RCY 60 HB1 RCY 60 68.660 9.101 -2.881 461 HB2 RCY 60 HB2 RCY 60 70.114 9.989 -2.426 462 HA RCY 60 HA RCY 60 67.305 10.975 -2.742 463 HN1 RCY 60 HN1 RCY 60 69.413 12.362 -4.033 464 H GLY 61 HN GLY 61 69.371 13.237 -1.413 465 HA2 GLY 61 HA2 GLY 61 70.158 12.267 1.083 466 HA3 GLY 61 HA1 GLY 61 69.635 13.931 0.820 467 H THR 62 HN THR 62 66.921 13.230 0.032 468 HA THR 62 HA THR 62 65.667 13.227 2.592 469 HB THR 62 HB THR 62 64.594 14.098 0.526 470 HG1 THR 62 HG1 THR 62 63.346 12.073 2.034 471 HG21 THR 62 HG21 THR 62 63.886 12.703 -1.222 472 HG22 THR 62 HG22 THR 62 63.989 11.249 -0.230 473 HG23 THR 62 HG23 THR 62 65.462 12.031 -0.804 474 H ASP 63 HN ASP 63 65.959 10.602 0.174 475 HA ASP 63 HA ASP 63 64.704 8.638 1.880 476 HB2 ASP 63 HB2 ASP 63 64.985 8.531 -0.664 477 HB3 ASP 63 HB1 ASP 63 66.652 8.046 -0.355 478 H ILE 64 HN ILE 64 67.302 10.262 2.666 479 HA ILE 64 HA ILE 64 68.732 7.877 3.780 480 HB ILE 64 HB ILE 64 69.896 10.497 2.793 481 HG12 ILE 64 HG12 ILE 64 70.514 7.647 1.969 482 HG13 ILE 64 HG11 ILE 64 69.338 8.658 1.128 483 HG21 ILE 64 HG21 ILE 64 72.055 9.035 3.415 484 HG22 ILE 64 HG22 ILE 64 70.943 8.380 4.617 485 HG23 ILE 64 HG23 ILE 64 71.291 10.109 4.587 486 HD11 ILE 64 HD11 ILE 64 70.990 10.210 0.444 487 HD12 ILE 64 HD12 ILE 64 71.747 8.635 0.202 488 HD13 ILE 64 HD13 ILE 64 72.162 9.605 1.615 489 H THR 65 HN THR 65 68.000 11.336 4.257 490 HA THR 65 HA THR 65 67.928 12.600 6.251 491 HB THR 65 HB THR 65 66.313 11.805 7.731 492 HG1 THR 65 HG1 THR 65 66.099 9.548 8.144 493 HG21 THR 65 HG21 THR 65 65.920 9.928 5.387 494 HG22 THR 65 HG22 THR 65 65.558 11.653 5.326 495 HG23 THR 65 HG23 THR 65 64.673 10.605 6.434 496 H VAL 66 HN VAL 66 70.337 10.867 5.771 497 HA VAL 66 HA VAL 66 72.327 10.397 6.914 498 HB VAL 66 HB VAL 66 71.077 11.639 9.370 499 HG11 VAL 66 HG11 VAL 66 73.918 11.667 8.312 500 HG12 VAL 66 HG12 VAL 66 73.321 10.500 9.492 501 HG13 VAL 66 HG13 VAL 66 73.370 12.216 9.896 502 HG21 VAL 66 HG21 VAL 66 72.166 13.780 8.421 503 HG22 VAL 66 HG22 VAL 66 70.636 13.273 7.705 504 HG23 VAL 66 HG23 VAL 66 72.152 12.946 6.867 505 H ILE 67 HN ILE 67 69.271 9.622 8.483 506 HA ILE 67 HA ILE 67 70.539 7.110 9.504 507 HB ILE 67 HB ILE 67 68.313 8.695 10.821 508 HG12 ILE 67 HG12 ILE 67 71.163 8.214 11.740 509 HG13 ILE 67 HG11 ILE 67 70.609 9.709 10.985 510 HG21 ILE 67 HG21 ILE 67 68.684 7.041 12.670 511 HG22 ILE 67 HG22 ILE 67 69.762 6.147 11.598 512 HG23 ILE 67 HG23 ILE 67 68.052 6.307 11.197 513 HD11 ILE 67 HD11 ILE 67 68.831 9.823 12.808 514 HD12 ILE 67 HD12 ILE 67 70.491 10.078 13.347 515 HD13 ILE 67 HD13 ILE 67 69.706 8.523 13.618 516 H1U RCY 68 H1U RCY 68 73.859 3.978 1.683 517 H1S RCY 68 H1S RCY 68 70.273 4.641 3.388 518 HB1 RCY 68 HB1 RCY 68 68.645 6.189 5.296 519 HB2 RCY 68 HB2 RCY 68 67.425 4.946 5.031 520 HA RCY 68 HA RCY 68 66.913 5.818 7.178 521 HN1 RCY 68 HN1 RCY 68 69.848 5.944 7.671 522 HA PRO 69 HA PRO 69 66.060 2.009 9.210 523 HB2 PRO 69 HB2 PRO 69 65.674 0.936 6.427 524 HB3 PRO 69 HB1 PRO 69 64.668 0.698 7.871 525 HG2 PRO 69 HG2 PRO 69 64.052 2.486 5.959 526 HG3 PRO 69 HG1 PRO 69 63.657 2.739 7.666 527 HD2 PRO 69 HD2 PRO 69 65.602 4.175 6.001 528 HD3 PRO 69 HD1 PRO 69 64.969 4.605 7.605 529 H TRP 70 HN TRP 70 68.275 1.942 6.439 530 HA TRP 70 HA TRP 70 69.440 -0.618 7.250 531 HD1 TRP 70 HD1 TRP 70 69.723 -2.388 5.229 532 HE1 TRP 70 HE1 TRP 70 67.893 -2.984 3.517 533 HE3 TRP 70 HE3 TRP 70 68.366 2.298 3.722 534 HZ2 TRP 70 HZ2 TRP 70 66.087 -1.649 1.738 535 HZ3 TRP 70 HZ3 TRP 70 66.593 2.608 2.022 536 HH2 TRP 70 HH2 TRP 70 65.452 0.645 1.029 537 HB2 TRP 70 HB2 TRP 70 70.223 1.440 5.179 538 HB3 TRP 70 HB1 TRP 70 71.154 -0.025 5.477 539 H GLU 71 HN GLU 71 70.322 2.827 7.517 540 HA GLU 71 HA GLU 71 72.944 2.571 8.489 541 HB2 GLU 71 HB2 GLU 71 70.742 4.496 9.287 542 HB3 GLU 71 HB1 GLU 71 72.391 4.640 9.886 543 HG2 GLU 71 HG2 GLU 71 71.313 5.420 7.299 544 HG3 GLU 71 HG1 GLU 71 72.880 5.805 8.010 545 H ALA 72 HN ALA 72 69.947 1.680 10.004 546 HA ALA 72 HA ALA 72 71.059 1.498 12.694 547 HB1 ALA 72 HB1 ALA 72 68.621 1.804 12.274 548 HB2 ALA 72 HB2 ALA 72 68.954 0.375 13.252 549 HB3 ALA 72 HB3 ALA 72 68.569 0.201 11.540 550 H1U RCY 73 H1U RCY 73 77.653 -2.547 4.503 551 H1S RCY 73 H1S RCY 73 73.110 -1.522 5.827 552 HB1 RCY 73 HB1 RCY 73 74.172 -2.878 9.525 553 HB2 RCY 73 HB2 RCY 73 74.013 -1.124 9.433 554 HA RCY 73 HA RCY 73 71.735 -2.823 10.442 555 HN1 RCY 73 HN1 RCY 73 71.997 -0.061 10.084 556 H ASN 74 HN ASN 74 74.046 -0.622 12.026 557 HA ASN 74 HA ASN 74 74.102 -2.214 14.427 558 HB2 ASN 74 HB2 ASN 74 75.525 -3.568 12.759 559 HB3 ASN 74 HB1 ASN 74 76.696 -2.255 12.877 560 HD21 ASN 74 HD21 ASN 74 76.376 -1.621 15.659 561 HD22 ASN 74 HD22 ASN 74 76.930 -2.940 16.572 562 H HIS 75 HN HIS 75 73.606 0.456 14.055 563 HA HIS 75 HA HIS 75 74.286 2.598 14.722 564 HD1 HIS 75 HD1 HIS 75 73.197 1.630 18.021 565 HD2 HIS 75 HD2 HIS 75 75.787 4.653 16.776 566 HE1 HIS 75 HE1 HIS 75 72.413 3.755 19.155 567 HE2 HIS 75 HE2 HIS 75 73.982 5.603 18.406 568 HB2 HIS 75 HB2 HIS 75 75.113 0.726 16.667 569 HB3 HIS 75 HB1 HIS 75 76.497 1.792 16.436 570 H1U RCY 76 H1U RCY 76 75.567 0.194 8.615 571 H1S RCY 76 H1S RCY 76 77.293 4.015 8.981 572 HB1 RCY 76 HB1 RCY 76 77.676 4.264 12.669 573 HB2 RCY 76 HB2 RCY 76 76.584 4.099 11.296 574 HA RCY 76 HA RCY 76 77.417 1.768 10.962 575 HN1 RCY 76 HN1 RCY 76 75.591 1.373 12.383 576 H GLU 77 HN GLU 77 78.189 -0.076 12.679 577 HA GLU 77 HA GLU 77 80.359 0.690 14.430 578 HB2 GLU 77 HB2 GLU 77 78.880 -1.503 14.354 579 HB3 GLU 77 HB1 GLU 77 80.142 -2.071 13.265 580 HG2 GLU 77 HG2 GLU 77 81.852 -1.538 14.969 581 HG3 GLU 77 HG1 GLU 77 80.582 -0.991 16.064 582 H LEU 78 HN LEU 78 81.928 -1.719 13.075 583 HA LEU 78 HA LEU 78 82.970 -0.376 10.675 584 HG LEU 78 HG LEU 78 83.546 -0.193 14.170 585 HB2 LEU 78 HB2 LEU 78 85.365 -0.602 11.774 586 HB3 LEU 78 HB1 LEU 78 84.383 0.829 12.080 587 HD11 LEU 78 HD11 LEU 78 83.602 -2.514 13.821 588 HD12 LEU 78 HD12 LEU 78 84.956 -2.260 14.922 589 HD13 LEU 78 HD13 LEU 78 85.251 -2.475 13.197 590 HD21 LEU 78 HD21 LEU 78 85.542 1.216 14.294 591 HD22 LEU 78 HD22 LEU 78 86.567 -0.159 13.883 592 HD23 LEU 78 HD23 LEU 78 85.706 -0.130 15.422 593 H HIS 79 HN HIS 79 84.821 -1.708 9.744 594 HA HIS 79 HA HIS 79 84.693 -3.959 8.662 595 HD1 HIS 79 HD1 HIS 79 88.156 -6.038 10.725 596 HD2 HIS 79 HD2 HIS 79 86.080 -5.228 7.199 597 HE1 HIS 79 HE1 HIS 79 88.715 -7.915 9.119 598 HE2 HIS 79 HE2 HIS 79 87.457 -7.434 6.968 599 HB2 HIS 79 HB2 HIS 79 86.909 -3.099 9.518 600 HB3 HIS 79 HB1 HIS 79 86.640 -4.057 10.973 601 H GLU 80 HN GLU 80 84.897 -4.330 12.217 602 HA GLU 80 HA GLU 80 84.399 -6.926 12.687 603 HB2 GLU 80 HB2 GLU 80 84.234 -4.881 14.303 604 HB3 GLU 80 HB1 GLU 80 82.503 -4.986 13.989 605 HG2 GLU 80 HG2 GLU 80 82.758 -6.371 15.866 606 HG3 GLU 80 HG1 GLU 80 82.808 -7.525 14.533 607 H LEU 81 HN LEU 81 81.747 -4.722 11.662 608 HA LEU 81 HA LEU 81 79.839 -6.909 11.564 609 HG LEU 81 HG LEU 81 80.365 -4.357 9.182 610 HB2 LEU 81 HB2 LEU 81 78.284 -5.321 10.644 611 HB3 LEU 81 HB1 LEU 81 79.194 -4.503 11.909 612 HD11 LEU 81 HD11 LEU 81 77.738 -3.071 9.942 613 HD12 LEU 81 HD12 LEU 81 78.124 -3.986 8.484 614 HD13 LEU 81 HD13 LEU 81 78.795 -2.372 8.716 615 HD21 LEU 81 HD21 LEU 81 81.210 -2.347 9.974 616 HD22 LEU 81 HD22 LEU 81 81.002 -3.211 11.498 617 HD23 LEU 81 HD23 LEU 81 79.798 -2.030 10.981 618 H ALA 82 HN ALA 82 82.387 -7.070 9.922 619 HA ALA 82 HA ALA 82 81.633 -6.900 7.142 620 HB1 ALA 82 HB1 ALA 82 83.971 -6.918 7.614 621 HB2 ALA 82 HB2 ALA 82 83.637 -8.475 6.856 622 HB3 ALA 82 HB3 ALA 82 83.835 -8.370 8.605 623 H GLN 83 HN GLN 83 79.441 -8.066 7.977 624 HA GLN 83 HA GLN 83 79.655 -10.988 8.042 625 HB2 GLN 83 HB2 GLN 83 77.185 -10.930 8.149 626 HB3 GLN 83 HB1 GLN 83 77.900 -9.846 9.342 627 HG2 GLN 83 HG2 GLN 83 77.685 -8.047 7.444 628 HG3 GLN 83 HG1 GLN 83 76.495 -9.162 6.772 629 HE21 GLN 83 HE21 GLN 83 75.493 -6.729 7.600 630 HE22 GLN 83 HE22 GLN 83 74.637 -6.895 9.056 631 H TYR 84 HN TYR 84 78.069 -8.655 5.819 632 HA TYR 84 HA TYR 84 77.822 -10.710 3.756 633 HD1 TYR 84 HD2 TYR 84 75.640 -11.017 3.335 634 HD2 TYR 84 HD1 TYR 84 75.610 -7.050 4.983 635 HE1 TYR 84 HE2 TYR 84 73.466 -11.489 4.432 636 HE2 TYR 84 HE1 TYR 84 73.436 -7.522 6.079 637 HH TYR 84 HH TYR 84 71.597 -8.981 5.959 638 HB2 TYR 84 HB2 TYR 84 77.398 -7.707 3.648 639 HB3 TYR 84 HB1 TYR 84 76.986 -8.826 2.353 640 H GLY 85 HN GLY 85 79.360 -7.494 3.495 641 HA2 GLY 85 HA2 GLY 85 81.984 -7.943 3.132 642 HA3 GLY 85 HA1 GLY 85 81.356 -8.670 1.653 643 H ILE 86 HN ILE 86 81.140 -5.622 3.520 644 HA ILE 86 HA ILE 86 81.567 -4.127 1.028 645 HB ILE 86 HB ILE 86 79.552 -2.723 1.287 646 HG12 ILE 86 HG12 ILE 86 79.255 -2.980 3.715 647 HG13 ILE 86 HG11 ILE 86 77.779 -3.452 2.872 648 HG21 ILE 86 HG21 ILE 86 78.821 -5.665 1.247 649 HG22 ILE 86 HG22 ILE 86 79.524 -4.807 -0.124 650 HG23 ILE 86 HG23 ILE 86 77.936 -4.343 0.487 651 HD11 ILE 86 HD11 ILE 86 78.017 -5.258 4.304 652 HD12 ILE 86 HD12 ILE 86 79.778 -5.164 4.296 653 HD13 ILE 86 HD13 ILE 86 78.926 -5.847 2.912 654 H1U RCY 87 H1U RCY 87 80.249 1.380 0.279 655 H1S RCY 87 H1S RCY 87 79.214 1.004 4.969 656 HB1 RCY 87 HB1 RCY 87 81.418 -1.014 6.876 657 HB2 RCY 87 HB2 RCY 87 80.795 -2.660 6.831 658 HA RCY 87 HA RCY 87 82.222 -1.207 4.587 659 HN1 RCY 87 HN1 RCY 87 80.538 -3.605 4.445 Start of MODEL 75 1 HA MET 1 HA MET 1 60.842 -25.218 -2.861 2 HB2 MET 1 HB2 MET 1 58.014 -24.199 -3.250 3 HB3 MET 1 HB1 MET 1 59.079 -24.889 -4.476 4 HG2 MET 1 HG2 MET 1 57.994 -26.362 -2.056 5 HG3 MET 1 HG1 MET 1 57.425 -26.553 -3.714 6 HE1 MET 1 HE1 MET 1 57.861 -28.833 -2.366 7 HE2 MET 1 HE2 MET 1 59.225 -29.840 -2.845 8 HE3 MET 1 HE3 MET 1 58.080 -29.280 -4.062 9 H ASN 2 HN ASN 2 59.071 -22.882 -4.203 10 HA ASN 2 HA ASN 2 61.143 -20.866 -3.831 11 HB2 ASN 2 HB2 ASN 2 59.546 -19.480 -5.278 12 HB3 ASN 2 HB1 ASN 2 60.169 -20.961 -6.007 13 HD21 ASN 2 HD21 ASN 2 57.979 -21.784 -3.561 14 HD22 ASN 2 HD22 ASN 2 56.597 -22.002 -4.523 15 H LEU 3 HN LEU 3 59.343 -21.720 -1.523 16 HA LEU 3 HA LEU 3 57.674 -19.427 -0.914 17 HG LEU 3 HG LEU 3 57.336 -19.233 1.588 18 HB2 LEU 3 HB2 LEU 3 57.460 -21.800 0.044 19 HB3 LEU 3 HB1 LEU 3 58.815 -21.381 1.092 20 HD11 LEU 3 HD11 LEU 3 55.195 -21.298 1.046 21 HD12 LEU 3 HD12 LEU 3 55.631 -20.067 -0.140 22 HD13 LEU 3 HD13 LEU 3 54.986 -19.590 1.431 23 HD21 LEU 3 HD21 LEU 3 56.252 -20.554 3.463 24 HD22 LEU 3 HD22 LEU 3 57.997 -20.766 3.328 25 HD23 LEU 3 HD23 LEU 3 56.907 -22.012 2.719 26 H GLU 4 HN GLU 4 58.293 -17.519 0.015 27 HA GLU 4 HA GLU 4 61.108 -16.981 0.423 28 HB2 GLU 4 HB2 GLU 4 58.810 -15.248 1.346 29 HB3 GLU 4 HB1 GLU 4 60.439 -14.739 0.899 30 HG2 GLU 4 HG2 GLU 4 58.357 -15.917 -0.965 31 HG3 GLU 4 HG1 GLU 4 58.896 -14.238 -0.932 32 HA PRO 5 HA PRO 5 61.593 -18.622 4.562 33 HB2 PRO 5 HB2 PRO 5 63.166 -16.081 4.850 34 HB3 PRO 5 HB1 PRO 5 63.591 -17.730 5.353 35 HG2 PRO 5 HG2 PRO 5 64.589 -16.633 3.130 36 HG3 PRO 5 HG1 PRO 5 64.209 -18.359 3.234 37 HD2 PRO 5 HD2 PRO 5 62.827 -16.238 1.701 38 HD3 PRO 5 HD1 PRO 5 62.804 -17.998 1.461 39 HA PRO 6 HA PRO 6 58.519 -15.713 6.323 40 HB2 PRO 6 HB2 PRO 6 56.880 -17.556 7.420 41 HB3 PRO 6 HB1 PRO 6 56.878 -17.227 5.676 42 HG2 PRO 6 HG2 PRO 6 58.067 -19.501 7.163 43 HG3 PRO 6 HG1 PRO 6 57.311 -19.467 5.563 44 HD2 PRO 6 HD2 PRO 6 60.078 -19.447 6.065 45 HD3 PRO 6 HD1 PRO 6 59.300 -19.024 4.524 46 H LYS 7 HN LYS 7 58.817 -14.746 8.303 47 HA LYS 7 HA LYS 7 59.472 -16.439 10.652 48 HB2 LYS 7 HB2 LYS 7 61.114 -14.156 10.941 49 HB3 LYS 7 HB1 LYS 7 61.645 -15.811 10.660 50 HG2 LYS 7 HG2 LYS 7 62.596 -14.417 8.921 51 HG3 LYS 7 HG1 LYS 7 61.340 -15.417 8.191 52 HD2 LYS 7 HD2 LYS 7 60.633 -13.410 7.349 53 HD3 LYS 7 HD1 LYS 7 59.851 -13.279 8.925 54 HE2 LYS 7 HE2 LYS 7 62.605 -12.204 8.247 55 HE3 LYS 7 HE1 LYS 7 61.138 -11.234 8.382 56 HZ1 LYS 7 HZ1 LYS 7 60.962 -12.274 10.696 57 HZ2 LYS 7 HZ2 LYS 7 62.115 -11.050 10.458 58 HZ3 LYS 7 HZ3 LYS 7 62.598 -12.678 10.501 59 H ALA 8 HN ALA 8 57.996 -13.694 9.241 60 HA ALA 8 HA ALA 8 56.206 -13.174 11.310 61 HB1 ALA 8 HB1 ALA 8 57.714 -12.475 12.922 62 HB2 ALA 8 HB2 ALA 8 57.446 -10.935 12.108 63 HB3 ALA 8 HB3 ALA 8 58.876 -11.894 11.730 64 H GLU 9 HN GLU 9 56.783 -12.947 8.360 65 HA GLU 9 HA GLU 9 56.092 -11.586 6.581 66 HB2 GLU 9 HB2 GLU 9 54.032 -11.533 8.126 67 HB3 GLU 9 HB1 GLU 9 54.602 -9.945 8.637 68 HG2 GLU 9 HG2 GLU 9 53.085 -9.525 6.847 69 HG3 GLU 9 HG1 GLU 9 54.696 -9.339 6.151 70 H1U RCY 10 H1U RCY 10 61.098 -3.031 7.423 71 H1S RCY 10 H1S RCY 10 59.557 -6.992 7.387 72 HB1 RCY 10 HB1 RCY 10 57.432 -5.837 6.275 73 HB2 RCY 10 HB2 RCY 10 56.404 -7.159 5.721 74 HA RCY 10 HA RCY 10 58.237 -7.694 8.021 75 HN1 RCY 10 HN1 RCY 10 55.437 -8.626 7.823 76 H ARG 11 HN ARG 11 55.944 -7.809 9.838 77 HA ARG 11 HA ARG 11 54.889 -6.434 11.413 78 HE ARG 11 HE ARG 11 56.910 -3.309 15.255 79 HB2 ARG 11 HB2 ARG 11 57.311 -5.570 11.476 80 HB3 ARG 11 HB1 ARG 11 56.738 -4.234 10.478 81 HG2 ARG 11 HG2 ARG 11 55.092 -3.621 12.172 82 HG3 ARG 11 HG1 ARG 11 55.545 -5.014 13.155 83 HD2 ARG 11 HD2 ARG 11 57.885 -4.080 13.258 84 HD3 ARG 11 HD1 ARG 11 57.278 -2.625 12.468 85 HH11 ARG 11 HH21 ARG 11 55.483 -1.844 12.480 86 HH12 ARG 11 HH22 ARG 11 54.479 -0.771 13.397 87 HH21 ARG 11 HH11 ARG 11 55.608 -1.916 16.469 88 HH22 ARG 11 HH12 ARG 11 54.550 -0.812 15.656 89 H SER 12 HN SER 12 55.713 -3.876 9.070 90 HA SER 12 HA SER 12 52.859 -3.120 8.987 91 HG SER 12 HG SER 12 52.775 -0.725 7.904 92 HB2 SER 12 HB2 SER 12 54.417 -1.296 9.229 93 HB3 SER 12 HB1 SER 12 55.367 -1.853 7.854 94 H ALA 13 HN ALA 13 55.364 -4.381 6.820 95 HA ALA 13 HA ALA 13 55.114 -5.522 4.778 96 HB1 ALA 13 HB1 ALA 13 53.113 -6.599 4.342 97 HB2 ALA 13 HB2 ALA 13 52.137 -5.211 4.819 98 HB3 ALA 13 HB3 ALA 13 52.876 -6.234 6.051 99 H THR 14 HN THR 14 55.289 -2.588 5.047 100 HA THR 14 HA THR 14 53.551 -1.338 3.120 101 HB THR 14 HB THR 14 56.342 -0.472 3.933 102 HG1 THR 14 HG1 THR 14 55.486 -0.170 5.807 103 HG21 THR 14 HG21 THR 14 55.289 0.669 1.966 104 HG22 THR 14 HG22 THR 14 55.569 1.748 3.332 105 HG23 THR 14 HG23 THR 14 53.947 1.137 3.010 106 H ARG 15 HN ARG 15 53.818 -3.205 1.513 107 HA ARG 15 HA ARG 15 56.343 -3.314 0.040 108 HE ARG 15 HE ARG 15 55.391 -8.188 -1.114 109 HB2 ARG 15 HB2 ARG 15 54.594 -5.214 0.355 110 HB3 ARG 15 HB1 ARG 15 53.717 -4.417 -0.951 111 HG2 ARG 15 HG2 ARG 15 55.895 -4.497 -2.283 112 HG3 ARG 15 HG1 ARG 15 56.505 -5.587 -1.037 113 HD2 ARG 15 HD2 ARG 15 53.932 -6.067 -2.563 114 HD3 ARG 15 HD1 ARG 15 55.486 -6.757 -3.031 115 HH11 ARG 15 HH21 ARG 15 52.846 -5.868 -1.269 116 HH12 ARG 15 HH22 ARG 15 51.895 -6.631 -0.040 117 HH21 ARG 15 HH11 ARG 15 54.164 -9.199 0.492 118 HH22 ARG 15 HH12 ARG 15 52.641 -8.518 0.958 119 H VAL 16 HN VAL 16 56.889 -1.904 -1.539 120 HA VAL 16 HA VAL 16 54.833 -0.810 -3.340 121 HB VAL 16 HB VAL 16 55.599 1.547 -2.914 122 HG11 VAL 16 HG11 VAL 16 53.546 0.439 -1.851 123 HG12 VAL 16 HG12 VAL 16 54.166 1.875 -1.037 124 HG13 VAL 16 HG13 VAL 16 54.522 0.272 -0.393 125 HG21 VAL 16 HG21 VAL 16 56.779 1.977 -0.772 126 HG22 VAL 16 HG22 VAL 16 57.760 1.008 -1.871 127 HG23 VAL 16 HG23 VAL 16 56.928 0.237 -0.520 128 H MET 17 HN MET 17 57.782 -2.130 -2.866 129 HA MET 17 HA MET 17 59.530 -0.595 -4.522 130 HB2 MET 17 HB2 MET 17 59.463 -3.578 -3.973 131 HB3 MET 17 HB1 MET 17 60.798 -2.738 -4.762 132 HG2 MET 17 HG2 MET 17 59.763 -1.913 -2.044 133 HG3 MET 17 HG1 MET 17 61.037 -3.116 -2.240 134 HE1 MET 17 HE1 MET 17 63.134 -0.210 -1.049 135 HE2 MET 17 HE2 MET 17 63.257 -1.950 -1.299 136 HE3 MET 17 HE3 MET 17 61.828 -1.277 -0.518 137 H GLY 18 HN GLY 18 58.561 -3.824 -5.587 138 HA2 GLY 18 HA2 GLY 18 57.421 -4.460 -7.582 139 HA3 GLY 18 HA1 GLY 18 57.257 -2.754 -8.002 140 H GLY 19 HN GLY 19 58.009 -4.058 -10.118 141 HA2 GLY 19 HA2 GLY 19 59.708 -3.960 -11.761 142 HA3 GLY 19 HA1 GLY 19 60.774 -3.231 -10.558 143 HA PRO 20 HA PRO 20 60.585 -8.212 -10.060 144 HB2 PRO 20 HB2 PRO 20 60.722 -8.543 -13.037 145 HB3 PRO 20 HB1 PRO 20 59.975 -9.597 -11.819 146 HG2 PRO 20 HG2 PRO 20 58.505 -7.997 -13.353 147 HG3 PRO 20 HG1 PRO 20 58.087 -8.289 -11.656 148 HD2 PRO 20 HD2 PRO 20 59.252 -5.847 -12.911 149 HD3 PRO 20 HD1 PRO 20 58.220 -5.994 -11.472 150 H1U RCY 21 H1U RCY 21 66.813 -5.597 -2.316 151 H1S RCY 21 H1S RCY 21 64.875 -7.072 -6.059 152 HB1 RCY 21 HB1 RCY 21 66.246 -8.313 -8.968 153 HB2 RCY 21 HB2 RCY 21 64.672 -8.678 -8.262 154 HA RCY 21 HA RCY 21 64.915 -7.095 -10.821 155 HN1 RCY 21 HN1 RCY 21 62.685 -8.061 -9.280 156 H THR 22 HN THR 22 65.226 -8.214 -12.750 157 HA THR 22 HA THR 22 64.879 -10.949 -13.250 158 HB THR 22 HB THR 22 66.941 -9.047 -14.390 159 HG1 THR 22 HG1 THR 22 65.349 -8.426 -15.595 160 HG21 THR 22 HG21 THR 22 66.871 -10.720 -16.324 161 HG22 THR 22 HG22 THR 22 66.110 -11.839 -15.193 162 HG23 THR 22 HG23 THR 22 67.738 -11.238 -14.879 163 HA PRO 23 HA PRO 23 67.999 -12.420 -10.259 164 HB2 PRO 23 HB2 PRO 23 67.238 -15.031 -11.485 165 HB3 PRO 23 HB1 PRO 23 67.297 -14.562 -9.776 166 HG2 PRO 23 HG2 PRO 23 64.985 -14.844 -11.078 167 HG3 PRO 23 HG1 PRO 23 65.210 -13.606 -9.831 168 HD2 PRO 23 HD2 PRO 23 65.115 -13.286 -12.807 169 HD3 PRO 23 HD1 PRO 23 64.554 -12.179 -11.534 170 H ARG 24 HN ARG 24 69.451 -11.302 -12.041 171 HA ARG 24 HA ARG 24 71.453 -13.221 -12.836 172 HE ARG 24 HE ARG 24 72.745 -15.199 -16.820 173 HB2 ARG 24 HB2 ARG 24 69.603 -13.500 -14.600 174 HB3 ARG 24 HB1 ARG 24 70.041 -11.884 -15.150 175 HG2 ARG 24 HG2 ARG 24 71.301 -13.449 -16.481 176 HG3 ARG 24 HG1 ARG 24 72.429 -12.702 -15.350 177 HD2 ARG 24 HD2 ARG 24 72.694 -14.630 -14.123 178 HD3 ARG 24 HD1 ARG 24 71.051 -15.185 -14.445 179 HH11 ARG 24 HH21 ARG 24 71.732 -16.851 -13.969 180 HH12 ARG 24 HH22 ARG 24 72.104 -18.425 -14.589 181 HH21 ARG 24 HH11 ARG 24 73.236 -17.244 -17.646 182 HH22 ARG 24 HH12 ARG 24 72.956 -18.648 -16.671 183 H LYS 25 HN LYS 25 73.396 -12.163 -13.189 184 HA LYS 25 HA LYS 25 73.431 -9.276 -12.700 185 HB2 LYS 25 HB2 LYS 25 75.440 -11.476 -12.868 186 HB3 LYS 25 HB1 LYS 25 76.017 -9.858 -13.258 187 HG2 LYS 25 HG2 LYS 25 76.345 -10.111 -10.903 188 HG3 LYS 25 HG1 LYS 25 74.917 -9.091 -11.079 189 HD2 LYS 25 HD2 LYS 25 74.043 -10.610 -9.596 190 HD3 LYS 25 HD1 LYS 25 73.716 -11.500 -11.083 191 HE2 LYS 25 HE2 LYS 25 76.240 -11.821 -9.436 192 HE3 LYS 25 HE1 LYS 25 74.841 -12.888 -9.319 193 HZ1 LYS 25 HZ1 LYS 25 76.757 -12.566 -11.514 194 HZ2 LYS 25 HZ2 LYS 25 75.160 -13.004 -11.891 195 HZ3 LYS 25 HZ3 LYS 25 76.092 -13.983 -10.862 196 H GLY 26 HN GLY 26 74.020 -7.686 -14.216 197 HA2 GLY 26 HA2 GLY 26 74.929 -8.400 -16.889 198 HA3 GLY 26 HA1 GLY 26 73.240 -7.893 -16.862 199 HA PRO 27 HA PRO 27 73.900 -3.558 -16.635 200 HB2 PRO 27 HB2 PRO 27 73.598 -3.570 -13.651 201 HB3 PRO 27 HB1 PRO 27 72.821 -2.524 -14.857 202 HG2 PRO 27 HG2 PRO 27 71.519 -4.554 -13.725 203 HG3 PRO 27 HG1 PRO 27 71.257 -4.109 -15.419 204 HD2 PRO 27 HD2 PRO 27 72.674 -6.471 -14.300 205 HD3 PRO 27 HD1 PRO 27 71.871 -6.277 -15.874 206 HA PRO 28 HA PRO 28 78.294 -3.032 -16.064 207 HB2 PRO 28 HB2 PRO 28 77.460 -0.279 -15.209 208 HB3 PRO 28 HB1 PRO 28 78.730 -0.766 -16.349 209 HG2 PRO 28 HG2 PRO 28 76.344 0.143 -17.169 210 HG3 PRO 28 HG1 PRO 28 77.254 -1.080 -18.068 211 HD2 PRO 28 HD2 PRO 28 74.754 -1.388 -16.526 212 HD3 PRO 28 HD1 PRO 28 75.438 -2.441 -17.783 213 H LYS 29 HN LYS 29 79.834 -2.769 -14.321 214 HA LYS 29 HA LYS 29 78.685 -3.290 -11.670 215 HB2 LYS 29 HB2 LYS 29 80.785 -4.405 -12.670 216 HB3 LYS 29 HB1 LYS 29 81.615 -2.893 -12.301 217 HG2 LYS 29 HG2 LYS 29 81.085 -3.102 -9.947 218 HG3 LYS 29 HG1 LYS 29 80.059 -4.503 -10.258 219 HD2 LYS 29 HD2 LYS 29 81.974 -5.813 -10.980 220 HD3 LYS 29 HD1 LYS 29 83.030 -4.405 -10.855 221 HE2 LYS 29 HE2 LYS 29 81.496 -5.572 -8.516 222 HE3 LYS 29 HE1 LYS 29 83.177 -5.963 -8.882 223 HZ1 LYS 29 HZ1 LYS 29 83.267 -4.223 -7.344 224 HZ2 LYS 29 HZ2 LYS 29 82.029 -3.348 -8.111 225 HZ3 LYS 29 HZ3 LYS 29 83.559 -3.477 -8.839 226 H1U RCY 30 H1U RCY 30 78.683 5.644 -9.942 227 H1S RCY 30 H1S RCY 30 80.169 1.224 -9.076 228 HB1 RCY 30 HB1 RCY 30 81.403 2.472 -12.032 229 HB2 RCY 30 HB2 RCY 30 81.820 0.921 -12.761 230 HA RCY 30 HA RCY 30 79.370 1.129 -11.032 231 HN1 RCY 30 HN1 RCY 30 79.603 -0.561 -13.448 232 H LYS 31 HN LYS 31 80.760 2.265 -14.025 233 HA LYS 31 HA LYS 31 79.943 3.804 -15.593 234 HB2 LYS 31 HB2 LYS 31 78.530 1.646 -15.989 235 HB3 LYS 31 HB1 LYS 31 77.228 2.546 -15.214 236 HG2 LYS 31 HG2 LYS 31 76.880 3.159 -17.423 237 HG3 LYS 31 HG1 LYS 31 77.980 4.443 -16.918 238 HD2 LYS 31 HD2 LYS 31 79.889 2.985 -17.728 239 HD3 LYS 31 HD1 LYS 31 78.677 1.919 -18.438 240 HE2 LYS 31 HE2 LYS 31 79.318 3.404 -20.191 241 HE3 LYS 31 HE1 LYS 31 77.756 3.994 -19.621 242 HZ1 LYS 31 HZ1 LYS 31 78.688 5.917 -19.105 243 HZ2 LYS 31 HZ2 LYS 31 80.177 5.369 -19.713 244 HZ3 LYS 31 HZ3 LYS 31 79.794 5.149 -18.072 245 H GLN 32 HN GLN 32 76.809 4.310 -15.229 246 HA GLN 32 HA GLN 32 76.922 6.066 -12.851 247 HB2 GLN 32 HB2 GLN 32 77.772 7.311 -14.955 248 HB3 GLN 32 HB1 GLN 32 76.099 7.239 -15.510 249 HG2 GLN 32 HG2 GLN 32 76.146 9.287 -14.377 250 HG3 GLN 32 HG1 GLN 32 75.546 8.192 -13.131 251 HE21 GLN 32 HE21 GLN 32 77.326 10.746 -13.035 252 HE22 GLN 32 HE22 GLN 32 78.643 10.270 -12.075 253 H ARG 33 HN ARG 33 75.262 4.598 -12.095 254 HA ARG 33 HA ARG 33 72.775 4.355 -13.633 255 HE ARG 33 HE ARG 33 74.922 -0.669 -12.250 256 HB2 ARG 33 HB2 ARG 33 73.163 3.607 -10.729 257 HB3 ARG 33 HB1 ARG 33 72.030 2.916 -11.892 258 HG2 ARG 33 HG2 ARG 33 74.054 2.146 -13.228 259 HG3 ARG 33 HG1 ARG 33 75.040 2.601 -11.838 260 HD2 ARG 33 HD2 ARG 33 73.481 1.122 -10.441 261 HD3 ARG 33 HD1 ARG 33 72.877 0.494 -11.974 262 HH11 ARG 33 HH21 ARG 33 75.071 1.713 -9.762 263 HH12 ARG 33 HH22 ARG 33 76.621 1.202 -9.182 264 HH21 ARG 33 HH11 ARG 33 76.945 -1.350 -11.507 265 HH22 ARG 33 HH12 ARG 33 77.682 -0.532 -10.170 266 H GLN 34 HN GLN 34 74.107 6.799 -11.859 267 HA GLN 34 HA GLN 34 71.513 8.128 -11.559 268 HB2 GLN 34 HB2 GLN 34 72.408 8.671 -9.048 269 HB3 GLN 34 HB1 GLN 34 71.285 7.362 -9.408 270 HG2 GLN 34 HG2 GLN 34 73.253 6.648 -8.013 271 HG3 GLN 34 HG1 GLN 34 73.096 5.756 -9.527 272 HE21 GLN 34 HE21 GLN 34 74.863 5.827 -10.960 273 HE22 GLN 34 HE22 GLN 34 76.211 6.839 -10.762 274 H THR 35 HN THR 35 74.118 9.125 -9.492 275 HA THR 35 HA THR 35 75.045 11.088 -11.548 276 HB THR 35 HB THR 35 74.617 11.868 -8.662 277 HG1 THR 35 HG1 THR 35 72.785 11.592 -10.730 278 HG21 THR 35 HG21 THR 35 74.462 13.642 -11.081 279 HG22 THR 35 HG22 THR 35 76.037 13.148 -10.461 280 HG23 THR 35 HG23 THR 35 74.928 14.050 -9.429 281 H ARG 36 HN ARG 36 76.404 12.116 -8.814 282 HA ARG 36 HA ARG 36 78.380 10.021 -8.347 283 HE ARG 36 HE ARG 36 83.035 9.875 -9.432 284 HB2 ARG 36 HB2 ARG 36 78.994 11.169 -10.589 285 HB3 ARG 36 HB1 ARG 36 79.439 12.557 -9.596 286 HG2 ARG 36 HG2 ARG 36 80.854 10.915 -8.218 287 HG3 ARG 36 HG1 ARG 36 80.619 9.776 -9.544 288 HD2 ARG 36 HD2 ARG 36 81.471 11.622 -11.095 289 HD3 ARG 36 HD1 ARG 36 81.979 12.475 -9.637 290 HH11 ARG 36 HH21 ARG 36 83.190 12.612 -11.523 291 HH12 ARG 36 HH22 ARG 36 84.817 12.300 -12.030 292 HH21 ARG 36 HH11 ARG 36 85.159 9.452 -10.081 293 HH22 ARG 36 HH12 ARG 36 85.932 10.511 -11.213 294 H GLN 37 HN GLN 37 76.897 13.023 -7.661 295 HA GLN 37 HA GLN 37 78.831 13.733 -5.540 296 HB2 GLN 37 HB2 GLN 37 76.189 15.037 -6.258 297 HB3 GLN 37 HB1 GLN 37 77.446 15.712 -5.222 298 HG2 GLN 37 HG2 GLN 37 79.019 15.707 -7.128 299 HG3 GLN 37 HG1 GLN 37 77.753 15.049 -8.166 300 HE21 GLN 37 HE21 GLN 37 75.575 16.653 -7.002 301 HE22 GLN 37 HE22 GLN 37 75.828 18.255 -7.502 302 H1U RCY 38 H1U RCY 38 79.947 5.229 0.968 303 H1S RCY 38 H1S RCY 38 79.713 9.449 -0.138 304 HB1 RCY 38 HB1 RCY 38 77.422 11.252 -0.519 305 HB2 RCY 38 HB2 RCY 38 78.521 12.530 -1.037 306 HA RCY 38 HA RCY 38 76.372 11.258 -2.763 307 HN1 RCY 38 HN1 RCY 38 78.621 12.885 -3.525 308 H LYS 39 HN LYS 39 76.621 14.560 -3.065 309 HA LYS 39 HA LYS 39 75.459 16.378 -2.124 310 HB2 LYS 39 HB2 LYS 39 73.730 14.603 -3.238 311 HB3 LYS 39 HB1 LYS 39 73.108 14.635 -1.590 312 HG2 LYS 39 HG2 LYS 39 71.963 16.367 -2.817 313 HG3 LYS 39 HG1 LYS 39 73.108 17.162 -1.737 314 HD2 LYS 39 HD2 LYS 39 74.432 17.888 -3.456 315 HD3 LYS 39 HD1 LYS 39 74.146 16.441 -4.423 316 HE2 LYS 39 HE2 LYS 39 73.123 18.630 -5.299 317 HE3 LYS 39 HE1 LYS 39 72.044 17.239 -5.192 318 HZ1 LYS 39 HZ1 LYS 39 72.267 18.979 -2.853 319 HZ2 LYS 39 HZ2 LYS 39 70.927 18.116 -3.441 320 HZ3 LYS 39 HZ3 LYS 39 71.400 19.567 -4.187 321 H SER 40 HN SER 40 76.811 14.361 -0.214 322 HA SER 40 HA SER 40 75.156 14.495 2.192 323 HG SER 40 HG SER 40 78.674 12.763 1.441 324 HB2 SER 40 HB2 SER 40 77.320 13.656 3.279 325 HB3 SER 40 HB1 SER 40 76.601 12.610 2.059 326 H LYS 41 HN LYS 41 75.264 16.039 3.782 327 HA LYS 41 HA LYS 41 76.476 18.569 3.232 328 HB2 LYS 41 HB2 LYS 41 75.174 17.308 5.629 329 HB3 LYS 41 HB1 LYS 41 76.020 18.842 5.825 330 HG2 LYS 41 HG2 LYS 41 74.638 19.888 4.128 331 HG3 LYS 41 HG1 LYS 41 73.875 18.345 3.742 332 HD2 LYS 41 HD2 LYS 41 73.109 18.262 6.172 333 HD3 LYS 41 HD1 LYS 41 73.624 19.944 6.298 334 HE2 LYS 41 HE2 LYS 41 72.138 20.489 4.357 335 HE3 LYS 41 HE1 LYS 41 71.548 18.828 4.392 336 HZ1 LYS 41 HZ1 LYS 41 70.763 19.158 6.627 337 HZ2 LYS 41 HZ2 LYS 41 70.114 20.365 5.623 338 HZ3 LYS 41 HZ3 LYS 41 71.403 20.728 6.669 339 HA PRO 42 HA PRO 42 80.724 18.477 4.391 340 HB2 PRO 42 HB2 PRO 42 79.894 20.234 6.686 341 HB3 PRO 42 HB1 PRO 42 81.257 20.425 5.566 342 HG2 PRO 42 HG2 PRO 42 78.967 21.808 5.305 343 HG3 PRO 42 HG1 PRO 42 79.955 21.321 3.920 344 HD2 PRO 42 HD2 PRO 42 77.299 20.350 4.719 345 HD3 PRO 42 HD1 PRO 42 78.150 20.141 3.173 346 HA PRO 43 HA PRO 43 81.091 15.388 7.550 347 HB2 PRO 43 HB2 PRO 43 83.638 15.887 8.495 348 HB3 PRO 43 HB1 PRO 43 83.291 15.051 6.970 349 HG2 PRO 43 HG2 PRO 43 84.061 17.886 7.432 350 HG3 PRO 43 HG1 PRO 43 84.555 16.775 6.143 351 HD2 PRO 43 HD2 PRO 43 82.675 18.706 5.752 352 HD3 PRO 43 HD1 PRO 43 82.629 17.148 4.896 353 H LYS 44 HN LYS 44 80.371 15.282 9.642 354 HA LYS 44 HA LYS 44 81.195 17.329 11.601 355 HB2 LYS 44 HB2 LYS 44 79.086 18.128 10.337 356 HB3 LYS 44 HB1 LYS 44 78.245 16.829 11.180 357 HG2 LYS 44 HG2 LYS 44 77.938 18.560 12.694 358 HG3 LYS 44 HG1 LYS 44 79.448 17.880 13.302 359 HD2 LYS 44 HD2 LYS 44 80.736 19.540 12.042 360 HD3 LYS 44 HD1 LYS 44 79.250 20.197 11.355 361 HE2 LYS 44 HE2 LYS 44 78.467 20.825 13.595 362 HE3 LYS 44 HE1 LYS 44 79.918 20.125 14.313 363 HZ1 LYS 44 HZ1 LYS 44 80.758 21.854 12.313 364 HZ2 LYS 44 HZ2 LYS 44 80.921 22.054 13.993 365 HZ3 LYS 44 HZ3 LYS 44 79.566 22.686 13.188 366 H LYS 45 HN LYS 45 81.694 14.504 11.379 367 HA LYS 45 HA LYS 45 81.530 12.528 12.643 368 HB2 LYS 45 HB2 LYS 45 80.786 14.573 14.757 369 HB3 LYS 45 HB1 LYS 45 81.269 12.909 15.084 370 HG2 LYS 45 HG2 LYS 45 83.479 13.304 14.581 371 HG3 LYS 45 HG1 LYS 45 83.092 14.522 13.365 372 HD2 LYS 45 HD2 LYS 45 84.080 15.711 15.189 373 HD3 LYS 45 HD1 LYS 45 82.347 16.020 15.293 374 HE2 LYS 45 HE2 LYS 45 83.806 13.867 16.852 375 HE3 LYS 45 HE1 LYS 45 83.346 15.440 17.504 376 HZ1 LYS 45 HZ1 LYS 45 81.526 14.261 18.098 377 HZ2 LYS 45 HZ2 LYS 45 81.679 13.144 16.827 378 HZ3 LYS 45 HZ3 LYS 45 81.024 14.684 16.534 379 H GLY 46 HN GLY 46 79.655 11.765 11.440 380 HA2 GLY 46 HA2 GLY 46 77.549 10.696 11.526 381 HA3 GLY 46 HA1 GLY 46 77.337 11.328 13.160 382 H VAL 47 HN VAL 47 75.077 11.653 12.094 383 HA VAL 47 HA VAL 47 73.467 13.154 11.283 384 HB VAL 47 HB VAL 47 75.555 15.292 11.709 385 HG11 VAL 47 HG11 VAL 47 72.548 15.237 12.111 386 HG12 VAL 47 HG12 VAL 47 73.362 15.912 10.700 387 HG13 VAL 47 HG13 VAL 47 73.598 16.643 12.288 388 HG21 VAL 47 HG21 VAL 47 74.702 15.343 14.079 389 HG22 VAL 47 HG22 VAL 47 75.628 13.894 13.690 390 HG23 VAL 47 HG23 VAL 47 73.867 13.823 13.757 391 H GLN 48 HN GLN 48 74.390 11.925 9.237 392 HA GLN 48 HA GLN 48 74.868 12.035 6.939 393 HB2 GLN 48 HB2 GLN 48 74.061 14.941 7.265 394 HB3 GLN 48 HB1 GLN 48 74.043 13.999 5.774 395 HG2 GLN 48 HG2 GLN 48 72.412 13.298 8.230 396 HG3 GLN 48 HG1 GLN 48 71.783 14.214 6.860 397 HE21 GLN 48 HE21 GLN 48 70.591 11.740 7.460 398 HE22 GLN 48 HE22 GLN 48 71.004 10.606 6.266 399 H GLY 49 HN GLY 49 77.188 11.819 7.712 400 HA2 GLY 49 HA2 GLY 49 78.985 13.309 6.244 401 HA3 GLY 49 HA1 GLY 49 78.836 14.225 7.745 402 H1U RCY 50 H1U RCY 50 81.583 3.464 3.233 403 H1S RCY 50 H1S RCY 50 82.567 7.846 4.756 404 HB1 RCY 50 HB1 RCY 50 82.790 9.075 7.189 405 HB2 RCY 50 HB2 RCY 50 82.837 10.508 6.162 406 HA RCY 50 HA RCY 50 80.988 10.005 8.510 407 HN1 RCY 50 HN1 RCY 50 80.541 11.759 6.260 408 H GLY 51 HN GLY 51 83.990 10.144 8.175 409 HA2 GLY 51 HA2 GLY 51 84.966 12.686 9.005 410 HA3 GLY 51 HA1 GLY 51 84.581 11.748 10.449 411 H ASP 52 HN ASP 52 85.302 9.453 8.258 412 HA ASP 52 HA ASP 52 87.697 8.591 9.414 413 HB2 ASP 52 HB2 ASP 52 86.732 8.265 6.557 414 HB3 ASP 52 HB1 ASP 52 88.099 7.382 7.238 415 H ASP 53 HN ASP 53 87.592 10.138 6.183 416 HA ASP 53 HA ASP 53 89.754 11.969 6.912 417 HB2 ASP 53 HB2 ASP 53 90.236 9.620 5.065 418 HB3 ASP 53 HB1 ASP 53 91.250 11.063 5.054 419 H ILE 54 HN ILE 54 88.184 10.416 4.091 420 HA ILE 54 HA ILE 54 88.161 13.034 2.708 421 HB ILE 54 HB ILE 54 87.056 10.435 1.638 422 HG12 ILE 54 HG12 ILE 54 89.292 9.896 2.390 423 HG13 ILE 54 HG11 ILE 54 89.358 10.120 0.642 424 HG21 ILE 54 HG21 ILE 54 88.280 12.906 0.372 425 HG22 ILE 54 HG22 ILE 54 86.575 12.453 0.345 426 HG23 ILE 54 HG23 ILE 54 87.761 11.474 -0.518 427 HD11 ILE 54 HD11 ILE 54 89.979 12.563 1.144 428 HD12 ILE 54 HD12 ILE 54 91.212 11.348 1.481 429 HD13 ILE 54 HD13 ILE 54 90.261 12.030 2.801 430 HA PRO 55 HA PRO 55 83.926 13.587 4.077 431 HB2 PRO 55 HB2 PRO 55 83.309 15.795 2.608 432 HB3 PRO 55 HB1 PRO 55 84.379 15.858 4.022 433 HG2 PRO 55 HG2 PRO 55 85.082 15.826 1.130 434 HG3 PRO 55 HG1 PRO 55 85.801 16.753 2.457 435 HD2 PRO 55 HD2 PRO 55 86.925 14.458 1.429 436 HD3 PRO 55 HD1 PRO 55 87.184 15.016 3.097 437 H GLY 56 HN GLY 56 82.060 12.610 3.364 438 HA2 GLY 56 HA2 GLY 56 81.791 11.210 0.979 439 HA3 GLY 56 HA1 GLY 56 80.406 11.833 1.878 440 H MET 57 HN MET 57 82.166 12.094 -1.014 441 HA MET 57 HA MET 57 80.404 14.287 -1.902 442 HB2 MET 57 HB2 MET 57 82.265 15.581 -1.096 443 HB3 MET 57 HB1 MET 57 83.428 14.486 -1.839 444 HG2 MET 57 HG2 MET 57 82.954 16.691 -3.086 445 HG3 MET 57 HG1 MET 57 82.870 15.207 -4.035 446 HE1 MET 57 HE1 MET 57 80.194 17.184 -5.756 447 HE2 MET 57 HE2 MET 57 81.917 16.854 -5.592 448 HE3 MET 57 HE3 MET 57 81.202 18.217 -4.735 449 H GLU 58 HN GLU 58 81.739 11.353 -2.402 450 HA GLU 58 HA GLU 58 81.479 11.597 -5.376 451 HB2 GLU 58 HB2 GLU 58 83.880 11.281 -4.430 452 HB3 GLU 58 HB1 GLU 58 83.360 9.639 -4.058 453 HG2 GLU 58 HG2 GLU 58 84.249 9.387 -6.209 454 HG3 GLU 58 HG1 GLU 58 82.533 9.618 -6.547 455 H GLY 59 HN GLY 59 79.275 10.843 -5.134 456 HA2 GLY 59 HA2 GLY 59 78.896 8.065 -5.441 457 HA3 GLY 59 HA1 GLY 59 78.580 8.431 -3.745 458 H1U RCY 60 H1U RCY 60 74.323 0.758 -5.309 459 H1S RCY 60 H1S RCY 60 73.359 5.169 -4.676 460 HB1 RCY 60 HB1 RCY 60 73.069 8.007 -5.879 461 HB2 RCY 60 HB2 RCY 60 73.496 7.539 -4.233 462 HA RCY 60 HA RCY 60 74.792 9.556 -6.033 463 HN1 RCY 60 HN1 RCY 60 76.330 7.749 -4.290 464 H GLY 61 HN GLY 61 73.971 8.414 -2.764 465 HA2 GLY 61 HA2 GLY 61 73.870 11.176 -1.754 466 HA3 GLY 61 HA1 GLY 61 72.309 10.365 -1.885 467 H THR 62 HN THR 62 72.401 10.746 0.533 468 HA THR 62 HA THR 62 73.082 10.110 2.739 469 HB THR 62 HB THR 62 71.191 8.742 2.513 470 HG1 THR 62 HG1 THR 62 73.398 7.010 2.926 471 HG21 THR 62 HG21 THR 62 72.807 7.111 0.535 472 HG22 THR 62 HG22 THR 62 71.465 8.190 0.154 473 HG23 THR 62 HG23 THR 62 71.175 6.710 1.068 474 H ASP 63 HN ASP 63 75.408 10.453 2.556 475 HA ASP 63 HA ASP 63 77.164 8.355 1.631 476 HB2 ASP 63 HB2 ASP 63 78.952 9.681 2.664 477 HB3 ASP 63 HB1 ASP 63 77.863 10.729 1.756 478 H ILE 64 HN ILE 64 75.568 9.011 4.679 479 HA ILE 64 HA ILE 64 76.465 6.424 5.687 480 HB ILE 64 HB ILE 64 78.369 7.996 6.217 481 HG12 ILE 64 HG12 ILE 64 78.031 7.477 8.854 482 HG13 ILE 64 HG11 ILE 64 76.801 6.406 8.181 483 HG21 ILE 64 HG21 ILE 64 76.670 9.910 6.658 484 HG22 ILE 64 HG22 ILE 64 78.074 9.791 7.719 485 HG23 ILE 64 HG23 ILE 64 76.506 9.196 8.262 486 HD11 ILE 64 HD11 ILE 64 78.668 5.020 8.114 487 HD12 ILE 64 HD12 ILE 64 79.775 6.355 7.793 488 HD13 ILE 64 HD13 ILE 64 78.734 5.744 6.507 489 H THR 65 HN THR 65 74.721 9.408 6.149 490 HA THR 65 HA THR 65 72.933 9.963 7.594 491 HB THR 65 HB THR 65 71.886 8.773 5.667 492 HG1 THR 65 HG1 THR 65 70.613 8.097 8.099 493 HG21 THR 65 HG21 THR 65 72.866 6.581 5.901 494 HG22 THR 65 HG22 THR 65 71.124 6.410 6.117 495 HG23 THR 65 HG23 THR 65 72.192 6.398 7.520 496 H VAL 66 HN VAL 66 75.101 8.524 8.948 497 HA VAL 66 HA VAL 66 75.446 7.773 11.135 498 HB VAL 66 HB VAL 66 72.470 7.557 11.548 499 HG11 VAL 66 HG11 VAL 66 73.088 8.219 13.825 500 HG12 VAL 66 HG12 VAL 66 74.764 8.444 13.325 501 HG13 VAL 66 HG13 VAL 66 74.053 6.830 13.325 502 HG21 VAL 66 HG21 VAL 66 72.388 9.711 10.744 503 HG22 VAL 66 HG22 VAL 66 74.108 9.990 11.021 504 HG23 VAL 66 HG23 VAL 66 72.972 10.078 12.368 505 H ILE 67 HN ILE 67 73.544 6.042 8.829 506 HA ILE 67 HA ILE 67 74.304 3.523 10.253 507 HB ILE 67 HB ILE 67 71.678 3.829 8.793 508 HG12 ILE 67 HG12 ILE 67 72.267 4.066 11.762 509 HG13 ILE 67 HG11 ILE 67 71.672 5.355 10.715 510 HG21 ILE 67 HG21 ILE 67 71.141 1.736 9.856 511 HG22 ILE 67 HG22 ILE 67 72.586 1.813 10.864 512 HG23 ILE 67 HG23 ILE 67 72.735 1.550 9.126 513 HD11 ILE 67 HD11 ILE 67 70.240 2.833 11.563 514 HD12 ILE 67 HD12 ILE 67 69.700 3.795 10.187 515 HD13 ILE 67 HD13 ILE 67 69.734 4.506 11.801 516 H1U RCY 68 H1U RCY 68 72.727 1.156 1.274 517 H1S RCY 68 H1S RCY 68 76.004 1.852 3.559 518 HB1 RCY 68 HB1 RCY 68 78.002 3.506 6.493 519 HB2 RCY 68 HB2 RCY 68 76.719 4.702 6.592 520 HA RCY 68 HA RCY 68 75.250 2.472 6.052 521 HN1 RCY 68 HN1 RCY 68 76.024 3.310 8.813 522 HA PRO 69 HA PRO 69 76.994 -1.537 6.686 523 HB2 PRO 69 HB2 PRO 69 79.149 -0.671 4.774 524 HB3 PRO 69 HB1 PRO 69 78.274 -2.214 4.850 525 HG2 PRO 69 HG2 PRO 69 77.612 -0.321 3.093 526 HG3 PRO 69 HG1 PRO 69 76.384 -1.335 3.866 527 HD2 PRO 69 HD2 PRO 69 76.950 1.541 4.279 528 HD3 PRO 69 HD1 PRO 69 75.476 0.619 4.650 529 H TRP 70 HN TRP 70 78.862 1.326 7.181 530 HA TRP 70 HA TRP 70 81.136 -0.033 8.408 531 HD1 TRP 70 HD1 TRP 70 82.697 1.484 10.573 532 HE1 TRP 70 HE1 TRP 70 85.219 1.496 10.043 533 HE3 TRP 70 HE3 TRP 70 82.551 2.716 5.620 534 HZ2 TRP 70 HZ2 TRP 70 86.950 1.967 7.810 535 HZ3 TRP 70 HZ3 TRP 70 84.644 2.939 4.318 536 HH2 TRP 70 HH2 TRP 70 86.841 2.567 5.402 537 HB2 TRP 70 HB2 TRP 70 80.789 2.458 7.340 538 HB3 TRP 70 HB1 TRP 70 80.649 2.822 9.059 539 H GLU 71 HN GLU 71 77.977 0.883 9.440 540 HA GLU 71 HA GLU 71 78.791 0.928 12.299 541 HB2 GLU 71 HB2 GLU 71 76.179 1.510 10.883 542 HB3 GLU 71 HB1 GLU 71 76.328 1.453 12.640 543 HG2 GLU 71 HG2 GLU 71 78.124 3.190 10.940 544 HG3 GLU 71 HG1 GLU 71 76.569 3.764 11.546 545 H ALA 72 HN ALA 72 76.643 -0.881 10.093 546 HA ALA 72 HA ALA 72 75.925 -2.813 12.152 547 HB1 ALA 72 HB1 ALA 72 74.931 -4.065 10.203 548 HB2 ALA 72 HB2 ALA 72 75.562 -2.804 9.144 549 HB3 ALA 72 HB3 ALA 72 74.350 -2.407 10.363 550 H1U RCY 73 H1U RCY 73 77.131 -5.834 4.132 551 H1S RCY 73 H1S RCY 73 79.236 -3.562 7.853 552 HB1 RCY 73 HB1 RCY 73 81.758 -3.563 10.341 553 HB2 RCY 73 HB2 RCY 73 80.634 -2.513 9.481 554 HA RCY 73 HA RCY 73 79.401 -5.073 9.681 555 HN1 RCY 73 HN1 RCY 73 78.718 -2.361 10.316 556 H ASN 74 HN ASN 74 79.959 -3.080 12.576 557 HA ASN 74 HA ASN 74 81.543 -5.054 13.949 558 HB2 ASN 74 HB2 ASN 74 81.192 -3.702 15.926 559 HB3 ASN 74 HB1 ASN 74 81.418 -2.613 14.558 560 HD21 ASN 74 HD21 ASN 74 78.721 -4.286 16.288 561 HD22 ASN 74 HD22 ASN 74 77.631 -2.994 16.133 562 H HIS 75 HN HIS 75 78.557 -5.507 12.843 563 HA HIS 75 HA HIS 75 77.964 -7.554 14.838 564 HD1 HIS 75 HD1 HIS 75 76.804 -8.475 16.392 565 HD2 HIS 75 HD2 HIS 75 73.510 -6.125 15.377 566 HE1 HIS 75 HE1 HIS 75 74.755 -9.725 17.204 567 HE2 HIS 75 HE2 HIS 75 72.744 -8.305 16.592 568 HB2 HIS 75 HB2 HIS 75 77.026 -5.493 15.896 569 HB3 HIS 75 HB1 HIS 75 75.994 -5.276 14.482 570 H1U RCY 76 H1U RCY 76 74.115 -5.879 3.603 571 H1S RCY 76 H1S RCY 76 76.812 -6.368 7.189 572 HB1 RCY 76 HB1 RCY 76 77.293 -8.682 8.884 573 HB2 RCY 76 HB2 RCY 76 78.318 -7.608 9.834 574 HA RCY 76 HA RCY 76 75.790 -8.614 11.083 575 HN1 RCY 76 HN1 RCY 76 78.484 -8.108 12.289 576 H GLU 77 HN GLU 77 78.342 -9.901 9.289 577 HA GLU 77 HA GLU 77 77.610 -12.613 10.001 578 HB2 GLU 77 HB2 GLU 77 78.517 -11.669 7.734 579 HB3 GLU 77 HB1 GLU 77 80.104 -11.904 8.466 580 HG2 GLU 77 HG2 GLU 77 79.614 -13.928 7.285 581 HG3 GLU 77 HG1 GLU 77 79.368 -14.287 8.995 582 H LEU 78 HN LEU 78 80.676 -13.231 9.655 583 HA LEU 78 HA LEU 78 81.243 -13.128 12.582 584 HG LEU 78 HG LEU 78 82.915 -16.297 12.588 585 HB2 LEU 78 HB2 LEU 78 81.264 -15.291 10.978 586 HB3 LEU 78 HB1 LEU 78 82.919 -14.753 10.714 587 HD11 LEU 78 HD11 LEU 78 83.035 -13.576 13.878 588 HD12 LEU 78 HD12 LEU 78 84.218 -14.043 12.656 589 HD13 LEU 78 HD13 LEU 78 84.077 -14.972 14.148 590 HD21 LEU 78 HD21 LEU 78 81.205 -14.551 14.283 591 HD22 LEU 78 HD22 LEU 78 81.341 -16.310 14.259 592 HD23 LEU 78 HD23 LEU 78 80.371 -15.484 13.039 593 H HIS 79 HN HIS 79 82.796 -12.623 9.413 594 HA HIS 79 HA HIS 79 85.059 -11.212 10.701 595 HD1 HIS 79 HD1 HIS 79 85.508 -14.507 8.081 596 HD2 HIS 79 HD2 HIS 79 87.598 -11.717 10.371 597 HE1 HIS 79 HE1 HIS 79 87.475 -15.742 9.091 598 HE2 HIS 79 HE2 HIS 79 88.756 -14.055 10.488 599 HB2 HIS 79 HB2 HIS 79 84.438 -12.269 7.976 600 HB3 HIS 79 HB1 HIS 79 85.612 -10.960 8.110 601 H GLU 80 HN GLU 80 85.633 -8.995 9.721 602 HA GLU 80 HA GLU 80 83.119 -7.415 9.533 603 HB2 GLU 80 HB2 GLU 80 85.173 -6.909 11.100 604 HB3 GLU 80 HB1 GLU 80 85.883 -6.225 9.641 605 HG2 GLU 80 HG2 GLU 80 84.789 -4.363 10.517 606 HG3 GLU 80 HG1 GLU 80 83.555 -5.004 9.432 607 H LEU 81 HN LEU 81 86.276 -7.661 7.912 608 HA LEU 81 HA LEU 81 85.084 -6.434 5.476 609 HG LEU 81 HG LEU 81 87.314 -6.266 7.921 610 HB2 LEU 81 HB2 LEU 81 87.797 -6.799 4.980 611 HB3 LEU 81 HB1 LEU 81 87.058 -5.312 5.565 612 HD11 LEU 81 HD11 LEU 81 88.708 -8.336 6.270 613 HD12 LEU 81 HD12 LEU 81 87.736 -8.535 7.728 614 HD13 LEU 81 HD13 LEU 81 89.389 -7.931 7.845 615 HD21 LEU 81 HD21 LEU 81 88.796 -4.512 7.100 616 HD22 LEU 81 HD22 LEU 81 89.774 -5.699 6.236 617 HD23 LEU 81 HD23 LEU 81 89.752 -5.690 8.000 618 H ALA 82 HN ALA 82 87.194 -9.160 6.384 619 HA ALA 82 HA ALA 82 87.006 -10.480 3.837 620 HB1 ALA 82 HB1 ALA 82 87.910 -11.279 6.597 621 HB2 ALA 82 HB2 ALA 82 88.871 -11.095 5.131 622 HB3 ALA 82 HB3 ALA 82 87.801 -12.485 5.313 623 H GLN 83 HN GLN 83 84.968 -11.029 3.142 624 HA GLN 83 HA GLN 83 83.528 -13.026 4.798 625 HB2 GLN 83 HB2 GLN 83 82.606 -10.491 4.840 626 HB3 GLN 83 HB1 GLN 83 81.831 -11.038 3.356 627 HG2 GLN 83 HG2 GLN 83 80.347 -11.468 5.250 628 HG3 GLN 83 HG1 GLN 83 80.918 -13.001 4.592 629 HE21 GLN 83 HE21 GLN 83 81.665 -14.428 6.160 630 HE22 GLN 83 HE22 GLN 83 82.307 -13.978 7.665 631 H TYR 84 HN TYR 84 85.233 -12.949 2.356 632 HA TYR 84 HA TYR 84 85.194 -13.649 0.101 633 HD1 TYR 84 HD2 TYR 84 84.756 -15.315 3.558 634 HD2 TYR 84 HD1 TYR 84 81.758 -16.354 0.663 635 HE1 TYR 84 HE2 TYR 84 83.191 -15.903 5.390 636 HE2 TYR 84 HE1 TYR 84 80.193 -16.941 2.495 637 HH TYR 84 HH TYR 84 80.213 -17.554 4.802 638 HB2 TYR 84 HB2 TYR 84 83.996 -15.918 -0.038 639 HB3 TYR 84 HB1 TYR 84 85.307 -15.771 1.131 640 H GLY 85 HN GLY 85 83.968 -11.886 -0.820 641 HA2 GLY 85 HA2 GLY 85 82.272 -11.184 -2.285 642 HA3 GLY 85 HA1 GLY 85 81.564 -12.793 -2.153 643 H ILE 86 HN ILE 86 82.202 -10.347 0.385 644 HA ILE 86 HA ILE 86 80.034 -10.718 2.009 645 HB ILE 86 HB ILE 86 81.646 -8.913 2.410 646 HG12 ILE 86 HG12 ILE 86 80.028 -7.112 3.055 647 HG13 ILE 86 HG11 ILE 86 78.779 -7.956 2.138 648 HG21 ILE 86 HG21 ILE 86 80.242 -7.510 0.114 649 HG22 ILE 86 HG22 ILE 86 81.871 -8.185 0.053 650 HG23 ILE 86 HG23 ILE 86 81.520 -6.822 1.116 651 HD11 ILE 86 HD11 ILE 86 78.723 -9.762 3.620 652 HD12 ILE 86 HD12 ILE 86 79.001 -8.406 4.713 653 HD13 ILE 86 HD13 ILE 86 80.346 -9.439 4.230 654 H1U RCY 87 H1U RCY 87 77.629 -6.012 2.262 655 H1S RCY 87 H1S RCY 87 77.185 -5.699 -2.466 656 HB1 RCY 87 HB1 RCY 87 77.684 -9.904 -3.667 657 HB2 RCY 87 HB2 RCY 87 79.236 -9.200 -3.225 658 HA RCY 87 HA RCY 87 77.349 -8.302 -1.295 659 HN1 RCY 87 HN1 RCY 87 79.903 -9.508 -1.268 Start of MODEL 76 1 HA MET 1 HA MET 1 58.894 -9.341 27.217 2 HB2 MET 1 HB2 MET 1 60.947 -7.410 26.105 3 HB3 MET 1 HB1 MET 1 59.346 -6.905 26.647 4 HG2 MET 1 HG2 MET 1 59.781 -7.494 28.884 5 HG3 MET 1 HG1 MET 1 61.127 -8.545 28.442 6 HE1 MET 1 HE1 MET 1 60.725 -4.969 26.698 7 HE2 MET 1 HE2 MET 1 61.049 -3.974 28.116 8 HE3 MET 1 HE3 MET 1 59.690 -5.096 28.126 9 H ASN 2 HN ASN 2 59.296 -10.866 24.692 10 HA ASN 2 HA ASN 2 58.523 -10.909 22.460 11 HB2 ASN 2 HB2 ASN 2 56.121 -10.157 22.315 12 HB3 ASN 2 HB1 ASN 2 56.447 -11.272 23.642 13 HD21 ASN 2 HD21 ASN 2 55.348 -8.064 22.859 14 HD22 ASN 2 HD22 ASN 2 55.156 -7.517 24.454 15 H LEU 3 HN LEU 3 59.797 -9.609 21.171 16 HA LEU 3 HA LEU 3 60.387 -6.986 21.114 17 HG LEU 3 HG LEU 3 58.234 -7.745 18.233 18 HB2 LEU 3 HB2 LEU 3 60.544 -7.045 18.716 19 HB3 LEU 3 HB1 LEU 3 60.922 -8.663 19.302 20 HD11 LEU 3 HD11 LEU 3 60.106 -8.110 16.563 21 HD12 LEU 3 HD12 LEU 3 58.704 -9.156 16.340 22 HD13 LEU 3 HD13 LEU 3 60.163 -9.789 17.102 23 HD21 LEU 3 HD21 LEU 3 57.698 -9.386 19.820 24 HD22 LEU 3 HD22 LEU 3 59.199 -10.273 19.551 25 HD23 LEU 3 HD23 LEU 3 57.906 -10.345 18.354 26 H GLU 4 HN GLU 4 59.419 -5.008 20.788 27 HA GLU 4 HA GLU 4 56.712 -4.606 21.334 28 HB2 GLU 4 HB2 GLU 4 58.758 -2.933 21.055 29 HB3 GLU 4 HB1 GLU 4 58.090 -2.725 19.439 30 HG2 GLU 4 HG2 GLU 4 56.292 -2.559 21.849 31 HG3 GLU 4 HG1 GLU 4 57.244 -1.159 21.354 32 HA PRO 5 HA PRO 5 54.446 -6.290 17.880 33 HB2 PRO 5 HB2 PRO 5 52.967 -3.689 18.168 34 HB3 PRO 5 HB1 PRO 5 52.322 -5.330 17.965 35 HG2 PRO 5 HG2 PRO 5 52.410 -4.118 20.353 36 HG3 PRO 5 HG1 PRO 5 52.627 -5.866 20.172 37 HD2 PRO 5 HD2 PRO 5 54.618 -3.817 20.915 38 HD3 PRO 5 HD1 PRO 5 54.679 -5.579 21.141 39 HA PRO 6 HA PRO 6 56.180 -4.224 14.347 40 HB2 PRO 6 HB2 PRO 6 54.495 -5.070 12.366 41 HB3 PRO 6 HB1 PRO 6 55.690 -6.131 13.138 42 HG2 PRO 6 HG2 PRO 6 52.763 -5.913 13.635 43 HG3 PRO 6 HG1 PRO 6 53.794 -7.353 13.564 44 HD2 PRO 6 HD2 PRO 6 52.971 -6.223 15.923 45 HD3 PRO 6 HD1 PRO 6 54.494 -7.125 15.759 46 H LYS 7 HN LYS 7 55.762 -2.496 12.783 47 HA LYS 7 HA LYS 7 53.990 -0.468 13.723 48 HB2 LYS 7 HB2 LYS 7 55.452 -0.867 11.108 49 HB3 LYS 7 HB1 LYS 7 54.432 0.542 11.395 50 HG2 LYS 7 HG2 LYS 7 55.766 1.193 13.312 51 HG3 LYS 7 HG1 LYS 7 56.709 -0.295 13.212 52 HD2 LYS 7 HD2 LYS 7 56.615 1.353 10.744 53 HD3 LYS 7 HD1 LYS 7 57.518 2.035 12.098 54 HE2 LYS 7 HE2 LYS 7 58.813 0.508 10.468 55 HE3 LYS 7 HE1 LYS 7 58.996 0.187 12.192 56 HZ1 LYS 7 HZ1 LYS 7 57.422 -1.299 10.191 57 HZ2 LYS 7 HZ2 LYS 7 57.019 -1.387 11.839 58 HZ3 LYS 7 HZ3 LYS 7 58.554 -1.887 11.309 59 H ALA 8 HN ALA 8 53.392 -3.266 11.861 60 HA ALA 8 HA ALA 8 51.520 -3.979 10.628 61 HB1 ALA 8 HB1 ALA 8 50.125 -2.049 12.508 62 HB2 ALA 8 HB2 ALA 8 50.551 -3.713 12.908 63 HB3 ALA 8 HB3 ALA 8 49.371 -3.386 11.639 64 H GLU 9 HN GLU 9 52.979 -1.652 9.579 65 HA GLU 9 HA GLU 9 50.793 -0.573 7.874 66 HB2 GLU 9 HB2 GLU 9 52.757 1.053 9.497 67 HB3 GLU 9 HB1 GLU 9 51.997 1.706 8.045 68 HG2 GLU 9 HG2 GLU 9 50.425 0.507 10.340 69 HG3 GLU 9 HG1 GLU 9 50.779 2.231 10.208 70 H1U RCY 10 H1U RCY 10 57.072 -4.894 11.010 71 H1S RCY 10 H1S RCY 10 57.954 -1.848 7.336 72 HB1 RCY 10 HB1 RCY 10 55.683 -2.972 5.282 73 HB2 RCY 10 HB2 RCY 10 54.966 -2.976 6.893 74 HA RCY 10 HA RCY 10 53.923 -1.046 4.845 75 HN1 RCY 10 HN1 RCY 10 52.170 -2.426 6.746 76 H ARG 11 HN ARG 11 51.540 -2.128 4.202 77 HA ARG 11 HA ARG 11 51.345 -4.871 3.635 78 HE ARG 11 HE ARG 11 49.476 -2.874 -0.766 79 HB2 ARG 11 HB2 ARG 11 49.599 -3.035 3.215 80 HB3 ARG 11 HB1 ARG 11 50.440 -2.735 1.693 81 HG2 ARG 11 HG2 ARG 11 50.206 -5.335 1.376 82 HG3 ARG 11 HG1 ARG 11 48.908 -5.171 2.558 83 HD2 ARG 11 HD2 ARG 11 47.824 -4.901 0.471 84 HD3 ARG 11 HD1 ARG 11 48.042 -3.253 1.060 85 HH11 ARG 11 HH21 ARG 11 49.160 -6.233 -0.059 86 HH12 ARG 11 HH22 ARG 11 50.093 -6.745 -1.426 87 HH21 ARG 11 HH11 ARG 11 50.696 -3.522 -2.555 88 HH22 ARG 11 HH12 ARG 11 50.962 -5.210 -2.839 89 H SER 12 HN SER 12 52.490 -6.206 2.300 90 HA SER 12 HA SER 12 53.849 -5.064 -0.074 91 HG SER 12 HG SER 12 54.344 -6.899 2.668 92 HB2 SER 12 HB2 SER 12 55.938 -6.430 0.663 93 HB3 SER 12 HB1 SER 12 55.657 -4.863 1.416 94 H ALA 13 HN ALA 13 53.973 -6.536 -1.743 95 HA ALA 13 HA ALA 13 53.927 -9.387 -1.411 96 HB1 ALA 13 HB1 ALA 13 51.629 -9.791 -2.302 97 HB2 ALA 13 HB2 ALA 13 51.299 -8.065 -2.158 98 HB3 ALA 13 HB3 ALA 13 51.611 -9.026 -0.713 99 H THR 14 HN THR 14 51.950 -9.128 -3.943 100 HA THR 14 HA THR 14 53.975 -9.411 -5.921 101 HB THR 14 HB THR 14 51.762 -10.234 -6.394 102 HG1 THR 14 HG1 THR 14 52.707 -9.529 -8.244 103 HG21 THR 14 HG21 THR 14 49.838 -8.661 -6.608 104 HG22 THR 14 HG22 THR 14 50.874 -7.361 -6.021 105 HG23 THR 14 HG23 THR 14 50.486 -8.723 -4.969 106 H ARG 15 HN ARG 15 53.056 -6.669 -4.233 107 HA ARG 15 HA ARG 15 53.028 -4.576 -6.095 108 HE ARG 15 HE ARG 15 55.184 -0.407 -3.988 109 HB2 ARG 15 HB2 ARG 15 52.686 -4.225 -3.686 110 HB3 ARG 15 HB1 ARG 15 54.375 -4.625 -3.377 111 HG2 ARG 15 HG2 ARG 15 55.103 -2.705 -4.716 112 HG3 ARG 15 HG1 ARG 15 53.426 -2.319 -5.104 113 HD2 ARG 15 HD2 ARG 15 52.957 -1.570 -2.956 114 HD3 ARG 15 HD1 ARG 15 54.222 -2.556 -2.224 115 HH11 ARG 15 HH21 ARG 15 54.352 -1.501 -0.826 116 HH12 ARG 15 HH22 ARG 15 55.322 -0.316 -0.016 117 HH21 ARG 15 HH11 ARG 15 56.455 1.147 -2.949 118 HH22 ARG 15 HH12 ARG 15 56.513 1.183 -1.218 119 H VAL 16 HN VAL 16 55.849 -6.260 -4.712 120 HA VAL 16 HA VAL 16 57.440 -5.328 -7.033 121 HB VAL 16 HB VAL 16 57.777 -3.659 -5.192 122 HG11 VAL 16 HG11 VAL 16 58.811 -4.306 -3.133 123 HG12 VAL 16 HG12 VAL 16 59.127 -5.937 -3.726 124 HG13 VAL 16 HG13 VAL 16 57.474 -5.430 -3.377 125 HG21 VAL 16 HG21 VAL 16 60.283 -5.305 -5.550 126 HG22 VAL 16 HG22 VAL 16 60.125 -3.550 -5.476 127 HG23 VAL 16 HG23 VAL 16 59.567 -4.426 -6.901 128 H MET 17 HN MET 17 56.496 -7.769 -4.984 129 HA MET 17 HA MET 17 58.830 -9.294 -4.524 130 HB2 MET 17 HB2 MET 17 56.479 -9.817 -3.716 131 HB3 MET 17 HB1 MET 17 56.148 -10.450 -5.329 132 HG2 MET 17 HG2 MET 17 58.190 -11.942 -5.029 133 HG3 MET 17 HG1 MET 17 58.189 -11.454 -3.334 134 HE1 MET 17 HE1 MET 17 55.834 -13.597 -1.637 135 HE2 MET 17 HE2 MET 17 56.319 -11.903 -1.645 136 HE3 MET 17 HE3 MET 17 57.536 -13.162 -1.837 137 H GLY 18 HN GLY 18 60.152 -8.907 -6.441 138 HA2 GLY 18 HA2 GLY 18 61.020 -9.508 -8.536 139 HA3 GLY 18 HA1 GLY 18 60.130 -11.018 -8.330 140 H GLY 19 HN GLY 19 59.575 -11.000 -10.600 141 HA2 GLY 19 HA2 GLY 19 57.873 -10.699 -12.217 142 HA3 GLY 19 HA1 GLY 19 57.104 -9.531 -11.141 143 HA PRO 20 HA PRO 20 59.110 -7.506 -14.989 144 HB2 PRO 20 HB2 PRO 20 56.562 -5.986 -14.557 145 HB3 PRO 20 HB1 PRO 20 57.337 -6.479 -16.076 146 HG2 PRO 20 HG2 PRO 20 55.215 -7.768 -15.107 147 HG3 PRO 20 HG1 PRO 20 56.516 -8.619 -15.956 148 HD2 PRO 20 HD2 PRO 20 55.861 -8.613 -13.054 149 HD3 PRO 20 HD1 PRO 20 56.679 -9.857 -14.024 150 H1U RCY 21 H1U RCY 21 62.279 -5.578 -5.329 151 H1S RCY 21 H1S RCY 21 62.495 -6.218 -9.472 152 HB1 RCY 21 HB1 RCY 21 61.338 -6.250 -11.243 153 HB2 RCY 21 HB2 RCY 21 60.424 -4.936 -10.506 154 HA RCY 21 HA RCY 21 60.027 -3.916 -12.515 155 HN1 RCY 21 HN1 RCY 21 60.773 -6.511 -13.779 156 H THR 22 HN THR 22 61.071 -2.427 -13.738 157 HA THR 22 HA THR 22 63.828 -3.081 -14.721 158 HB THR 22 HB THR 22 62.586 -2.736 -16.669 159 HG1 THR 22 HG1 THR 22 62.911 -0.305 -17.049 160 HG21 THR 22 HG21 THR 22 60.451 -2.189 -15.766 161 HG22 THR 22 HG22 THR 22 60.890 -0.823 -16.792 162 HG23 THR 22 HG23 THR 22 61.058 -0.701 -15.040 163 HA PRO 23 HA PRO 23 64.521 0.107 -11.469 164 HB2 PRO 23 HB2 PRO 23 67.326 -0.605 -12.203 165 HB3 PRO 23 HB1 PRO 23 66.575 -0.484 -10.600 166 HG2 PRO 23 HG2 PRO 23 67.128 -2.843 -11.711 167 HG3 PRO 23 HG1 PRO 23 65.685 -2.600 -10.711 168 HD2 PRO 23 HD2 PRO 23 65.895 -2.853 -13.686 169 HD3 PRO 23 HD1 PRO 23 64.587 -3.370 -12.598 170 H ARG 24 HN ARG 24 66.102 2.081 -11.541 171 HA ARG 24 HA ARG 24 65.665 3.468 -14.050 172 HE ARG 24 HE ARG 24 64.249 6.673 -12.816 173 HB2 ARG 24 HB2 ARG 24 67.423 4.273 -11.711 174 HB3 ARG 24 HB1 ARG 24 66.824 5.337 -12.984 175 HG2 ARG 24 HG2 ARG 24 64.466 4.558 -12.251 176 HG3 ARG 24 HG1 ARG 24 65.263 3.977 -10.789 177 HD2 ARG 24 HD2 ARG 24 64.768 6.121 -10.099 178 HD3 ARG 24 HD1 ARG 24 66.330 6.429 -10.856 179 HH11 ARG 24 HH21 ARG 24 65.626 8.171 -10.032 180 HH12 ARG 24 HH22 ARG 24 65.171 9.774 -10.505 181 HH21 ARG 24 HH11 ARG 24 63.646 8.757 -13.449 182 HH22 ARG 24 HH12 ARG 24 64.050 10.106 -12.440 183 H LYS 25 HN LYS 25 67.225 1.073 -14.367 184 HA LYS 25 HA LYS 25 69.195 0.323 -15.391 185 HB2 LYS 25 HB2 LYS 25 69.196 3.205 -16.339 186 HB3 LYS 25 HB1 LYS 25 70.204 1.925 -17.012 187 HG2 LYS 25 HG2 LYS 25 67.246 1.479 -16.831 188 HG3 LYS 25 HG1 LYS 25 67.870 2.509 -18.120 189 HD2 LYS 25 HD2 LYS 25 69.316 0.731 -18.918 190 HD3 LYS 25 HD1 LYS 25 68.877 -0.293 -17.550 191 HE2 LYS 25 HE2 LYS 25 66.643 -0.558 -18.332 192 HE3 LYS 25 HE1 LYS 25 66.814 0.759 -19.493 193 HZ1 LYS 25 HZ1 LYS 25 68.640 -0.660 -20.508 194 HZ2 LYS 25 HZ2 LYS 25 67.038 -1.175 -20.747 195 HZ3 LYS 25 HZ3 LYS 25 68.015 -1.940 -19.587 196 H GLY 26 HN GLY 26 70.430 3.612 -15.019 197 HA2 GLY 26 HA2 GLY 26 71.897 3.025 -12.579 198 HA3 GLY 26 HA1 GLY 26 72.926 2.942 -14.010 199 HA PRO 27 HA PRO 27 71.046 7.482 -13.471 200 HB2 PRO 27 HB2 PRO 27 71.140 7.470 -10.493 201 HB3 PRO 27 HB1 PRO 27 69.928 8.176 -11.581 202 HG2 PRO 27 HG2 PRO 27 69.433 5.958 -10.202 203 HG3 PRO 27 HG1 PRO 27 68.820 6.177 -11.852 204 HD2 PRO 27 HD2 PRO 27 71.125 4.504 -10.905 205 HD3 PRO 27 HD1 PRO 27 69.947 4.175 -12.197 206 HA PRO 28 HA PRO 28 75.490 8.339 -13.364 207 HB2 PRO 28 HB2 PRO 28 74.389 11.130 -13.377 208 HB3 PRO 28 HB1 PRO 28 75.693 10.429 -14.357 209 HG2 PRO 28 HG2 PRO 28 73.247 10.818 -15.351 210 HG3 PRO 28 HG1 PRO 28 74.232 9.423 -15.818 211 HD2 PRO 28 HD2 PRO 28 71.808 9.512 -14.102 212 HD3 PRO 28 HD1 PRO 28 72.470 8.163 -15.051 213 H LYS 29 HN LYS 29 76.987 9.529 -11.920 214 HA LYS 29 HA LYS 29 76.495 9.220 -9.189 215 HB2 LYS 29 HB2 LYS 29 78.265 11.193 -9.023 216 HB3 LYS 29 HB1 LYS 29 78.740 9.616 -9.652 217 HG2 LYS 29 HG2 LYS 29 78.500 10.373 -11.931 218 HG3 LYS 29 HG1 LYS 29 77.781 11.895 -11.403 219 HD2 LYS 29 HD2 LYS 29 79.983 12.553 -11.761 220 HD3 LYS 29 HD1 LYS 29 80.033 12.137 -10.048 221 HE2 LYS 29 HE2 LYS 29 81.926 11.066 -11.064 222 HE3 LYS 29 HE1 LYS 29 80.739 9.799 -10.751 223 HZ1 LYS 29 HZ1 LYS 29 81.657 10.901 -13.279 224 HZ2 LYS 29 HZ2 LYS 29 79.995 10.560 -13.177 225 HZ3 LYS 29 HZ3 LYS 29 81.136 9.331 -12.903 226 H1U RCY 30 H1U RCY 30 75.169 15.975 -10.614 227 H1S RCY 30 H1S RCY 30 72.103 14.339 -8.014 228 HB1 RCY 30 HB1 RCY 30 74.074 11.524 -5.954 229 HB2 RCY 30 HB2 RCY 30 72.727 10.833 -6.857 230 HA RCY 30 HA RCY 30 73.249 12.307 -8.766 231 HN1 RCY 30 HN1 RCY 30 74.818 10.121 -8.065 232 H LYS 31 HN LYS 31 75.793 12.551 -6.279 233 HA LYS 31 HA LYS 31 77.050 14.824 -7.465 234 HB2 LYS 31 HB2 LYS 31 74.947 15.943 -6.810 235 HB3 LYS 31 HB1 LYS 31 75.148 15.372 -5.158 236 HG2 LYS 31 HG2 LYS 31 75.920 17.793 -5.696 237 HG3 LYS 31 HG1 LYS 31 77.019 16.768 -4.772 238 HD2 LYS 31 HD2 LYS 31 78.318 16.261 -6.742 239 HD3 LYS 31 HD1 LYS 31 77.138 17.056 -7.786 240 HE2 LYS 31 HE2 LYS 31 77.605 19.200 -6.538 241 HE3 LYS 31 HE1 LYS 31 78.925 18.365 -5.719 242 HZ1 LYS 31 HZ1 LYS 31 79.845 19.465 -7.580 243 HZ2 LYS 31 HZ2 LYS 31 78.637 18.883 -8.623 244 HZ3 LYS 31 HZ3 LYS 31 79.794 17.818 -7.981 245 H GLN 32 HN GLN 32 77.965 12.418 -6.378 246 HA GLN 32 HA GLN 32 78.714 12.316 -3.698 247 HB2 GLN 32 HB2 GLN 32 80.734 11.680 -5.843 248 HB3 GLN 32 HB1 GLN 32 80.429 10.833 -4.327 249 HG2 GLN 32 HG2 GLN 32 78.681 10.865 -6.799 250 HG3 GLN 32 HG1 GLN 32 79.491 9.475 -6.076 251 HE21 GLN 32 HE21 GLN 32 78.084 8.203 -4.874 252 HE22 GLN 32 HE22 GLN 32 76.730 8.774 -4.024 253 H ARG 33 HN ARG 33 80.912 12.838 -2.750 254 HA ARG 33 HA ARG 33 81.905 15.472 -3.779 255 HE ARG 33 HE ARG 33 83.649 18.712 -0.676 256 HB2 ARG 33 HB2 ARG 33 80.594 15.688 -1.678 257 HB3 ARG 33 HB1 ARG 33 81.697 14.561 -0.893 258 HG2 ARG 33 HG2 ARG 33 83.114 16.253 -0.443 259 HG3 ARG 33 HG1 ARG 33 83.270 16.581 -2.170 260 HD2 ARG 33 HD2 ARG 33 81.208 17.960 -2.077 261 HD3 ARG 33 HD1 ARG 33 81.110 17.670 -0.340 262 HH11 ARG 33 HH21 ARG 33 80.449 19.612 -1.593 263 HH12 ARG 33 HH22 ARG 33 80.769 21.314 -1.538 264 HH21 ARG 33 HH11 ARG 33 84.085 20.929 -0.599 265 HH22 ARG 33 HH12 ARG 33 82.828 22.059 -0.975 266 H GLN 34 HN GLN 34 83.218 13.746 -1.042 267 HA GLN 34 HA GLN 34 85.174 12.119 -2.173 268 HB2 GLN 34 HB2 GLN 34 85.728 14.962 -2.615 269 HB3 GLN 34 HB1 GLN 34 87.023 14.188 -1.711 270 HG2 GLN 34 HG2 GLN 34 85.888 12.846 -4.154 271 HG3 GLN 34 HG1 GLN 34 87.096 14.121 -4.325 272 HE21 GLN 34 HE21 GLN 34 88.012 11.734 -5.199 273 HE22 GLN 34 HE22 GLN 34 89.040 10.993 -4.070 274 H THR 35 HN THR 35 84.099 11.536 0.025 275 HA THR 35 HA THR 35 85.664 12.675 2.298 276 HB THR 35 HB THR 35 83.371 12.853 2.825 277 HG1 THR 35 HG1 THR 35 83.414 11.716 4.593 278 HG21 THR 35 HG21 THR 35 82.209 11.729 1.158 279 HG22 THR 35 HG22 THR 35 81.941 10.652 2.529 280 HG23 THR 35 HG23 THR 35 83.175 10.263 1.330 281 H ARG 36 HN ARG 36 86.037 10.933 4.060 282 HA ARG 36 HA ARG 36 86.633 8.262 2.907 283 HE ARG 36 HE ARG 36 89.984 8.356 1.167 284 HB2 ARG 36 HB2 ARG 36 88.727 9.678 4.553 285 HB3 ARG 36 HB1 ARG 36 88.919 8.300 3.468 286 HG2 ARG 36 HG2 ARG 36 88.268 9.859 1.565 287 HG3 ARG 36 HG1 ARG 36 88.431 11.189 2.713 288 HD2 ARG 36 HD2 ARG 36 90.560 11.090 1.718 289 HD3 ARG 36 HD1 ARG 36 90.776 10.170 3.207 290 HH11 ARG 36 HH21 ARG 36 92.564 10.462 2.055 291 HH12 ARG 36 HH22 ARG 36 93.786 9.511 1.279 292 HH21 ARG 36 HH11 ARG 36 91.564 7.101 0.148 293 HH22 ARG 36 HH12 ARG 36 93.219 7.608 0.199 294 H GLN 37 HN GLN 37 84.613 9.171 4.748 295 HA GLN 37 HA GLN 37 85.461 8.607 7.467 296 HB2 GLN 37 HB2 GLN 37 83.359 9.930 6.564 297 HB3 GLN 37 HB1 GLN 37 82.601 8.338 6.582 298 HG2 GLN 37 HG2 GLN 37 82.137 9.202 8.731 299 HG3 GLN 37 HG1 GLN 37 83.526 8.147 8.995 300 HE21 GLN 37 HE21 GLN 37 84.863 9.182 10.490 301 HE22 GLN 37 HE22 GLN 37 85.302 10.821 10.427 302 H1U RCY 38 H1U RCY 38 84.033 5.612 -0.540 303 H1S RCY 38 H1S RCY 38 85.079 3.955 2.327 304 HB1 RCY 38 HB1 RCY 38 84.755 3.109 4.603 305 HB2 RCY 38 HB2 RCY 38 86.143 4.066 4.083 306 HA RCY 38 HA RCY 38 84.564 4.256 6.639 307 HN1 RCY 38 HN1 RCY 38 86.151 6.536 5.518 308 H LYS 39 HN LYS 39 87.501 5.822 6.730 309 HA LYS 39 HA LYS 39 89.613 5.230 7.538 310 HB2 LYS 39 HB2 LYS 39 88.134 2.841 8.674 311 HB3 LYS 39 HB1 LYS 39 89.667 3.497 9.242 312 HG2 LYS 39 HG2 LYS 39 87.243 5.271 9.119 313 HG3 LYS 39 HG1 LYS 39 87.454 4.170 10.481 314 HD2 LYS 39 HD2 LYS 39 89.823 5.793 9.700 315 HD3 LYS 39 HD1 LYS 39 88.489 6.657 10.465 316 HE2 LYS 39 HE2 LYS 39 90.027 5.886 12.192 317 HE3 LYS 39 HE1 LYS 39 88.520 4.978 12.316 318 HZ1 LYS 39 HZ1 LYS 39 89.517 3.165 11.119 319 HZ2 LYS 39 HZ2 LYS 39 90.499 3.559 12.448 320 HZ3 LYS 39 HZ3 LYS 39 90.948 4.045 10.883 321 H SER 40 HN SER 40 87.960 3.273 5.338 322 HA SER 40 HA SER 40 88.650 1.517 3.925 323 HG SER 40 HG SER 40 90.743 4.142 4.803 324 HB2 SER 40 HB2 SER 40 91.034 1.919 3.072 325 HB3 SER 40 HB1 SER 40 89.895 3.246 2.865 326 H LYS 41 HN LYS 41 89.201 1.276 6.969 327 HA LYS 41 HA LYS 41 91.596 -0.175 7.391 328 HB2 LYS 41 HB2 LYS 41 90.309 -1.246 9.300 329 HB3 LYS 41 HB1 LYS 41 90.286 0.515 9.291 330 HG2 LYS 41 HG2 LYS 41 88.043 0.558 9.050 331 HG3 LYS 41 HG1 LYS 41 88.114 -0.558 7.686 332 HD2 LYS 41 HD2 LYS 41 86.836 -1.647 9.407 333 HD3 LYS 41 HD1 LYS 41 88.415 -2.432 9.370 334 HE2 LYS 41 HE2 LYS 41 89.066 -0.664 11.177 335 HE3 LYS 41 HE1 LYS 41 87.325 -0.484 11.390 336 HZ1 LYS 41 HZ1 LYS 41 87.097 -2.646 12.102 337 HZ2 LYS 41 HZ2 LYS 41 88.597 -2.225 12.780 338 HZ3 LYS 41 HZ3 LYS 41 88.534 -3.167 11.367 339 HA PRO 42 HA PRO 42 91.024 -3.958 5.185 340 HB2 PRO 42 HB2 PRO 42 92.057 -5.778 7.033 341 HB3 PRO 42 HB1 PRO 42 93.023 -4.815 5.900 342 HG2 PRO 42 HG2 PRO 42 92.479 -4.356 8.781 343 HG3 PRO 42 HG1 PRO 42 93.947 -4.042 7.840 344 HD2 PRO 42 HD2 PRO 42 92.248 -2.048 8.574 345 HD3 PRO 42 HD1 PRO 42 93.169 -1.995 7.053 346 HA PRO 43 HA PRO 43 87.295 -5.873 6.580 347 HB2 PRO 43 HB2 PRO 43 87.521 -8.411 5.567 348 HB3 PRO 43 HB1 PRO 43 87.187 -6.985 4.564 349 HG2 PRO 43 HG2 PRO 43 89.751 -8.430 4.996 350 HG3 PRO 43 HG1 PRO 43 89.092 -7.715 3.516 351 HD2 PRO 43 HD2 PRO 43 91.030 -6.497 5.023 352 HD3 PRO 43 HD1 PRO 43 89.858 -5.595 4.037 353 H LYS 44 HN LYS 44 86.765 -6.562 8.598 354 HA LYS 44 HA LYS 44 88.108 -8.936 9.738 355 HB2 LYS 44 HB2 LYS 44 89.385 -6.807 10.412 356 HB3 LYS 44 HB1 LYS 44 87.961 -6.384 11.359 357 HG2 LYS 44 HG2 LYS 44 89.182 -7.551 12.951 358 HG3 LYS 44 HG1 LYS 44 88.228 -8.864 12.261 359 HD2 LYS 44 HD2 LYS 44 90.347 -9.795 12.138 360 HD3 LYS 44 HD1 LYS 44 90.263 -9.003 10.564 361 HE2 LYS 44 HE2 LYS 44 91.428 -7.037 11.475 362 HE3 LYS 44 HE1 LYS 44 91.492 -7.801 13.063 363 HZ1 LYS 44 HZ1 LYS 44 92.500 -9.596 11.162 364 HZ2 LYS 44 HZ2 LYS 44 93.319 -8.857 12.454 365 HZ3 LYS 44 HZ3 LYS 44 93.272 -8.103 10.932 366 H LYS 45 HN LYS 45 86.658 -7.091 12.147 367 HA LYS 45 HA LYS 45 83.879 -7.688 11.581 368 HB2 LYS 45 HB2 LYS 45 83.566 -9.386 13.350 369 HB3 LYS 45 HB1 LYS 45 84.655 -9.970 12.092 370 HG2 LYS 45 HG2 LYS 45 86.456 -8.806 13.746 371 HG3 LYS 45 HG1 LYS 45 85.234 -9.285 14.925 372 HD2 LYS 45 HD2 LYS 45 85.278 -11.595 13.912 373 HD3 LYS 45 HD1 LYS 45 86.655 -11.078 12.939 374 HE2 LYS 45 HE2 LYS 45 87.609 -12.118 14.854 375 HE3 LYS 45 HE1 LYS 45 87.757 -10.386 15.151 376 HZ1 LYS 45 HZ1 LYS 45 85.625 -12.167 16.201 377 HZ2 LYS 45 HZ2 LYS 45 85.706 -10.488 16.448 378 HZ3 LYS 45 HZ3 LYS 45 86.904 -11.504 17.096 379 H GLY 46 HN GLY 46 83.437 -5.591 12.266 380 HA2 GLY 46 HA2 GLY 46 82.601 -4.802 14.649 381 HA3 GLY 46 HA1 GLY 46 84.334 -4.788 14.988 382 H VAL 47 HN VAL 47 81.973 -2.712 14.354 383 HA VAL 47 HA VAL 47 83.819 -0.815 13.002 384 HB VAL 47 HB VAL 47 81.832 -0.047 11.588 385 HG11 VAL 47 HG11 VAL 47 83.750 -1.367 10.701 386 HG12 VAL 47 HG12 VAL 47 82.239 -1.751 9.878 387 HG13 VAL 47 HG13 VAL 47 82.884 -2.851 11.097 388 HG21 VAL 47 HG21 VAL 47 80.805 -2.808 12.313 389 HG22 VAL 47 HG22 VAL 47 80.034 -1.643 11.237 390 HG23 VAL 47 HG23 VAL 47 80.145 -1.308 12.964 391 H GLN 48 HN GLN 48 83.432 -0.623 15.631 392 HA GLN 48 HA GLN 48 81.067 0.954 16.307 393 HB2 GLN 48 HB2 GLN 48 82.499 1.323 18.469 394 HB3 GLN 48 HB1 GLN 48 81.859 -0.286 18.133 395 HG2 GLN 48 HG2 GLN 48 83.954 -1.062 17.308 396 HG3 GLN 48 HG1 GLN 48 84.602 0.575 17.200 397 HE21 GLN 48 HE21 GLN 48 85.316 -1.981 18.904 398 HE22 GLN 48 HE22 GLN 48 85.504 -1.344 20.466 399 H GLY 49 HN GLY 49 81.568 2.553 14.503 400 HA2 GLY 49 HA2 GLY 49 82.871 4.894 15.677 401 HA3 GLY 49 HA1 GLY 49 83.704 4.260 14.256 402 H1U RCY 50 H1U RCY 50 79.545 3.798 5.079 403 H1S RCY 50 H1S RCY 50 78.613 6.171 8.511 404 HB1 RCY 50 HB1 RCY 50 79.089 3.726 11.894 405 HB2 RCY 50 HB2 RCY 50 80.418 4.747 11.343 406 HA RCY 50 HA RCY 50 79.725 6.472 13.015 407 HN1 RCY 50 HN1 RCY 50 80.210 4.117 14.679 408 H GLY 51 HN GLY 51 78.812 4.191 15.271 409 HA2 GLY 51 HA2 GLY 51 76.054 3.839 15.015 410 HA3 GLY 51 HA1 GLY 51 76.860 4.026 16.572 411 H ASP 52 HN ASP 52 77.787 6.793 15.620 412 HA ASP 52 HA ASP 52 75.349 8.344 15.306 413 HB2 ASP 52 HB2 ASP 52 75.195 7.658 17.707 414 HB3 ASP 52 HB1 ASP 52 76.737 8.463 18.000 415 H ASP 53 HN ASP 53 77.909 8.214 13.996 416 HA ASP 53 HA ASP 53 79.415 10.587 14.881 417 HB2 ASP 53 HB2 ASP 53 79.740 8.752 12.485 418 HB3 ASP 53 HB1 ASP 53 80.832 10.079 12.881 419 H ILE 54 HN ILE 54 79.687 10.739 11.653 420 HA ILE 54 HA ILE 54 77.221 12.314 11.158 421 HB ILE 54 HB ILE 54 79.850 13.569 10.426 422 HG12 ILE 54 HG12 ILE 54 78.524 13.686 13.153 423 HG13 ILE 54 HG11 ILE 54 80.136 13.066 12.795 424 HG21 ILE 54 HG21 ILE 54 77.472 14.347 9.743 425 HG22 ILE 54 HG22 ILE 54 78.581 15.559 10.384 426 HG23 ILE 54 HG23 ILE 54 77.322 14.882 11.417 427 HD11 ILE 54 HD11 ILE 54 80.486 15.279 13.604 428 HD12 ILE 54 HD12 ILE 54 79.162 15.923 12.633 429 HD13 ILE 54 HD13 ILE 54 80.653 15.395 11.852 430 HA PRO 55 HA PRO 55 78.672 9.966 7.464 431 HB2 PRO 55 HB2 PRO 55 76.512 8.372 7.151 432 HB3 PRO 55 HB1 PRO 55 77.788 8.004 8.328 433 HG2 PRO 55 HG2 PRO 55 75.073 9.096 8.768 434 HG3 PRO 55 HG1 PRO 55 76.054 8.048 9.803 435 HD2 PRO 55 HD2 PRO 55 75.731 10.844 10.087 436 HD3 PRO 55 HD1 PRO 55 76.929 9.833 10.922 437 H GLY 56 HN GLY 56 75.133 10.489 7.681 438 HA2 GLY 56 HA2 GLY 56 74.982 11.374 4.930 439 HA3 GLY 56 HA1 GLY 56 73.669 11.440 6.105 440 H MET 57 HN MET 57 76.811 13.063 5.488 441 HA MET 57 HA MET 57 75.497 15.672 5.570 442 HB2 MET 57 HB2 MET 57 75.986 14.844 8.023 443 HB3 MET 57 HB1 MET 57 77.647 15.294 7.638 444 HG2 MET 57 HG2 MET 57 76.631 17.234 8.618 445 HG3 MET 57 HG1 MET 57 76.741 17.549 6.886 446 HE1 MET 57 HE1 MET 57 73.357 18.924 8.754 447 HE2 MET 57 HE2 MET 57 75.006 19.377 8.331 448 HE3 MET 57 HE3 MET 57 74.719 18.279 9.679 449 H GLU 58 HN GLU 58 78.301 13.653 5.170 450 HA GLU 58 HA GLU 58 79.969 15.890 4.205 451 HB2 GLU 58 HB2 GLU 58 81.669 14.119 3.825 452 HB3 GLU 58 HB1 GLU 58 81.048 14.088 5.475 453 HG2 GLU 58 HG2 GLU 58 79.361 12.346 4.650 454 HG3 GLU 58 HG1 GLU 58 80.347 12.235 3.191 455 H GLY 59 HN GLY 59 78.387 12.981 2.884 456 HA2 GLY 59 HA2 GLY 59 77.342 13.725 0.564 457 HA3 GLY 59 HA1 GLY 59 79.045 13.897 0.136 458 H1U RCY 60 H1U RCY 60 72.687 5.056 -2.512 459 H1S RCY 60 H1S RCY 60 75.953 7.643 -0.665 460 HB1 RCY 60 HB1 RCY 60 78.306 9.846 -2.472 461 HB2 RCY 60 HB2 RCY 60 77.356 9.998 -0.995 462 HA RCY 60 HA RCY 60 79.583 9.459 0.232 463 HN1 RCY 60 HN1 RCY 60 79.948 12.124 -0.775 464 H GLY 61 HN GLY 61 81.898 10.724 -0.251 465 HA2 GLY 61 HA2 GLY 61 83.065 10.737 -2.783 466 HA3 GLY 61 HA1 GLY 61 83.960 10.325 -1.319 467 H THR 62 HN THR 62 82.199 9.021 -4.059 468 HA THR 62 HA THR 62 83.027 6.259 -3.262 469 HB THR 62 HB THR 62 81.335 5.488 -4.875 470 HG1 THR 62 HG1 THR 62 79.939 7.240 -5.689 471 HG21 THR 62 HG21 THR 62 80.853 6.886 -2.452 472 HG22 THR 62 HG22 THR 62 79.852 5.639 -3.195 473 HG23 THR 62 HG23 THR 62 79.567 7.339 -3.571 474 H ASP 63 HN ASP 63 85.224 6.441 -4.034 475 HA ASP 63 HA ASP 63 86.066 7.414 -6.534 476 HB2 ASP 63 HB2 ASP 63 87.686 6.606 -4.895 477 HB3 ASP 63 HB1 ASP 63 87.044 4.967 -5.021 478 H ILE 64 HN ILE 64 84.015 4.821 -5.771 479 HA ILE 64 HA ILE 64 84.366 3.123 -8.064 480 HB ILE 64 HB ILE 64 82.097 3.607 -6.145 481 HG12 ILE 64 HG12 ILE 64 82.784 1.536 -5.181 482 HG13 ILE 64 HG11 ILE 64 83.798 1.142 -6.569 483 HG21 ILE 64 HG21 ILE 64 81.401 2.874 -8.521 484 HG22 ILE 64 HG22 ILE 64 80.854 1.872 -7.176 485 HG23 ILE 64 HG23 ILE 64 82.227 1.359 -8.156 486 HD11 ILE 64 HD11 ILE 64 85.062 1.975 -4.535 487 HD12 ILE 64 HD12 ILE 64 84.290 3.541 -4.788 488 HD13 ILE 64 HD13 ILE 64 85.367 2.880 -6.018 489 H THR 65 HN THR 65 81.369 4.867 -7.480 490 HA THR 65 HA THR 65 80.984 6.902 -9.050 491 HB THR 65 HB THR 65 81.532 4.691 -11.056 492 HG1 THR 65 HG1 THR 65 83.374 5.655 -11.279 493 HG21 THR 65 HG21 THR 65 80.951 6.348 -12.760 494 HG22 THR 65 HG22 THR 65 80.594 7.538 -11.508 495 HG23 THR 65 HG23 THR 65 79.583 6.102 -11.675 496 H VAL 66 HN VAL 66 79.927 3.614 -10.078 497 HA VAL 66 HA VAL 66 77.159 4.449 -9.294 498 HB VAL 66 HB VAL 66 76.544 2.823 -11.293 499 HG11 VAL 66 HG11 VAL 66 75.761 5.026 -11.437 500 HG12 VAL 66 HG12 VAL 66 76.835 4.924 -12.833 501 HG13 VAL 66 HG13 VAL 66 77.384 5.711 -11.353 502 HG21 VAL 66 HG21 VAL 66 78.152 2.853 -13.091 503 HG22 VAL 66 HG22 VAL 66 78.997 2.284 -11.651 504 HG23 VAL 66 HG23 VAL 66 79.210 3.947 -12.199 505 H ILE 67 HN ILE 67 79.235 1.579 -9.975 506 HA ILE 67 HA ILE 67 77.580 0.163 -7.918 507 HB ILE 67 HB ILE 67 78.689 -0.965 -10.497 508 HG12 ILE 67 HG12 ILE 67 76.477 0.463 -10.335 509 HG13 ILE 67 HG11 ILE 67 76.480 -1.043 -11.253 510 HG21 ILE 67 HG21 ILE 67 78.903 -2.748 -8.996 511 HG22 ILE 67 HG22 ILE 67 77.267 -2.983 -9.613 512 HG23 ILE 67 HG23 ILE 67 77.516 -2.234 -8.036 513 HD11 ILE 67 HD11 ILE 67 75.800 -1.063 -8.322 514 HD12 ILE 67 HD12 ILE 67 75.346 -2.221 -9.573 515 HD13 ILE 67 HD13 ILE 67 74.572 -0.637 -9.515 516 H1U RCY 68 H1U RCY 68 75.649 -2.851 -4.550 517 H1S RCY 68 H1S RCY 68 77.658 1.472 -4.243 518 HB1 RCY 68 HB1 RCY 68 81.935 0.487 -4.254 519 HB2 RCY 68 HB2 RCY 68 80.540 -0.512 -3.869 520 HA RCY 68 HA RCY 68 81.894 -0.106 -6.475 521 HN1 RCY 68 HN1 RCY 68 79.111 0.531 -6.296 522 HA PRO 69 HA PRO 69 82.007 -4.517 -6.400 523 HB2 PRO 69 HB2 PRO 69 83.785 -4.954 -4.263 524 HB3 PRO 69 HB1 PRO 69 84.243 -4.681 -5.953 525 HG2 PRO 69 HG2 PRO 69 84.207 -2.783 -3.679 526 HG3 PRO 69 HG1 PRO 69 85.308 -2.875 -5.064 527 HD2 PRO 69 HD2 PRO 69 83.367 -0.989 -4.912 528 HD3 PRO 69 HD1 PRO 69 83.862 -1.699 -6.467 529 H TRP 70 HN TRP 70 81.355 -2.792 -3.428 530 HA TRP 70 HA TRP 70 80.305 -5.139 -2.027 531 HD1 TRP 70 HD1 TRP 70 81.189 -5.669 0.007 532 HE1 TRP 70 HE1 TRP 70 83.515 -5.539 1.107 533 HE3 TRP 70 HE3 TRP 70 82.271 -0.746 -0.804 534 HZ2 TRP 70 HZ2 TRP 70 85.569 -3.599 1.581 535 HZ3 TRP 70 HZ3 TRP 70 84.413 0.216 -0.020 536 HH2 TRP 70 HH2 TRP 70 86.062 -1.200 1.170 537 HB2 TRP 70 HB2 TRP 70 80.351 -2.174 -1.449 538 HB3 TRP 70 HB1 TRP 70 79.443 -3.295 -0.436 539 H GLU 71 HN GLU 71 79.029 -4.950 -4.502 540 HA GLU 71 HA GLU 71 76.246 -4.419 -3.622 541 HB2 GLU 71 HB2 GLU 71 77.727 -2.760 -5.511 542 HB3 GLU 71 HB1 GLU 71 76.288 -3.449 -6.256 543 HG2 GLU 71 HG2 GLU 71 74.918 -2.620 -4.372 544 HG3 GLU 71 HG1 GLU 71 76.360 -1.914 -3.640 545 H ALA 72 HN ALA 72 78.395 -6.500 -4.941 546 HA ALA 72 HA ALA 72 76.919 -7.546 -7.187 547 HB1 ALA 72 HB1 ALA 72 78.908 -8.963 -5.392 548 HB2 ALA 72 HB2 ALA 72 79.330 -8.006 -6.812 549 HB3 ALA 72 HB3 ALA 72 78.396 -9.490 -6.994 550 H1U RCY 73 H1U RCY 73 79.447 -6.979 -3.194 551 H1S RCY 73 H1S RCY 73 75.387 -7.738 -3.941 552 HB1 RCY 73 HB1 RCY 73 72.354 -8.467 -3.399 553 HB2 RCY 73 HB2 RCY 73 72.110 -7.943 -5.065 554 HA RCY 73 HA RCY 73 74.366 -9.511 -3.879 555 HN1 RCY 73 HN1 RCY 73 74.827 -7.311 -5.751 556 H ASN 74 HN ASN 74 73.087 -8.618 -7.095 557 HA ASN 74 HA ASN 74 73.247 -11.054 -8.380 558 HB2 ASN 74 HB2 ASN 74 72.025 -12.301 -6.808 559 HB3 ASN 74 HB1 ASN 74 70.913 -10.974 -6.476 560 HD21 ASN 74 HD21 ASN 74 71.810 -13.319 -9.046 561 HD22 ASN 74 HD22 ASN 74 70.281 -13.331 -9.783 562 H HIS 75 HN HIS 75 70.140 -9.404 -7.784 563 HA HIS 75 HA HIS 75 69.882 -8.835 -10.647 564 HD1 HIS 75 HD1 HIS 75 69.111 -10.585 -10.890 565 HD2 HIS 75 HD2 HIS 75 65.942 -10.036 -8.233 566 HE1 HIS 75 HE1 HIS 75 67.811 -12.759 -10.866 567 HE2 HIS 75 HE2 HIS 75 65.880 -12.438 -9.253 568 HB2 HIS 75 HB2 HIS 75 68.148 -8.146 -8.257 569 HB3 HIS 75 HB1 HIS 75 67.728 -7.743 -9.922 570 H1U RCY 76 H1U RCY 76 75.105 -1.285 -3.326 571 H1S RCY 76 H1S RCY 76 72.332 -1.690 -6.214 572 HB1 RCY 76 HB1 RCY 76 72.168 -5.309 -7.218 573 HB2 RCY 76 HB2 RCY 76 70.652 -4.747 -7.923 574 HA RCY 76 HA RCY 76 71.700 -4.841 -10.181 575 HN1 RCY 76 HN1 RCY 76 72.107 -7.570 -9.240 576 H GLU 77 HN GLU 77 73.544 -7.471 -9.738 577 HA GLU 77 HA GLU 77 76.096 -6.329 -8.994 578 HB2 GLU 77 HB2 GLU 77 75.665 -8.724 -8.731 579 HB3 GLU 77 HB1 GLU 77 75.410 -8.889 -10.468 580 HG2 GLU 77 HG2 GLU 77 77.703 -8.343 -10.941 581 HG3 GLU 77 HG1 GLU 77 77.994 -7.862 -9.269 582 H LEU 78 HN LEU 78 77.938 -6.090 -10.449 583 HA LEU 78 HA LEU 78 77.218 -5.627 -13.309 584 HG LEU 78 HG LEU 78 78.513 -2.255 -13.642 585 HB2 LEU 78 HB2 LEU 78 77.369 -3.495 -11.817 586 HB3 LEU 78 HB1 LEU 78 79.103 -3.795 -11.819 587 HD11 LEU 78 HD11 LEU 78 79.061 -4.919 -14.942 588 HD12 LEU 78 HD12 LEU 78 80.254 -4.175 -13.877 589 HD13 LEU 78 HD13 LEU 78 79.734 -3.338 -15.340 590 HD21 LEU 78 HD21 LEU 78 77.025 -4.366 -15.119 591 HD22 LEU 78 HD22 LEU 78 76.791 -2.618 -15.117 592 HD23 LEU 78 HD23 LEU 78 76.167 -3.593 -13.786 593 H HIS 79 HN HIS 79 80.212 -5.147 -11.429 594 HA HIS 79 HA HIS 79 81.597 -7.474 -11.770 595 HD1 HIS 79 HD1 HIS 79 83.360 -6.137 -16.044 596 HD2 HIS 79 HD2 HIS 79 84.222 -7.881 -12.354 597 HE1 HIS 79 HE1 HIS 79 85.855 -6.570 -16.023 598 HE2 HIS 79 HE2 HIS 79 86.393 -7.631 -13.782 599 HB2 HIS 79 HB2 HIS 79 81.305 -7.761 -14.073 600 HB3 HIS 79 HB1 HIS 79 81.393 -6.031 -14.402 601 H GLU 80 HN GLU 80 82.660 -6.468 -10.003 602 HA GLU 80 HA GLU 80 84.797 -4.559 -10.822 603 HB2 GLU 80 HB2 GLU 80 82.909 -4.243 -8.473 604 HB3 GLU 80 HB1 GLU 80 84.416 -3.343 -8.632 605 HG2 GLU 80 HG2 GLU 80 82.250 -3.351 -10.748 606 HG3 GLU 80 HG1 GLU 80 82.375 -2.121 -9.490 607 H LEU 81 HN LEU 81 85.106 -4.543 -7.652 608 HA LEU 81 HA LEU 81 86.871 -6.938 -7.647 609 HG LEU 81 HG LEU 81 88.813 -3.926 -6.704 610 HB2 LEU 81 HB2 LEU 81 86.667 -4.718 -5.588 611 HB3 LEU 81 HB1 LEU 81 87.936 -5.932 -5.709 612 HD11 LEU 81 HD11 LEU 81 89.416 -4.730 -8.837 613 HD12 LEU 81 HD12 LEU 81 87.847 -5.495 -9.090 614 HD13 LEU 81 HD13 LEU 81 88.997 -6.197 -7.952 615 HD21 LEU 81 HD21 LEU 81 86.220 -3.253 -7.179 616 HD22 LEU 81 HD22 LEU 81 86.726 -3.722 -8.802 617 HD23 LEU 81 HD23 LEU 81 87.587 -2.444 -7.944 618 H ALA 82 HN ALA 82 83.777 -6.611 -7.135 619 HA ALA 82 HA ALA 82 83.196 -7.292 -4.463 620 HB1 ALA 82 HB1 ALA 82 81.773 -8.481 -6.853 621 HB2 ALA 82 HB2 ALA 82 81.553 -6.803 -6.358 622 HB3 ALA 82 HB3 ALA 82 81.098 -8.112 -5.265 623 H GLN 83 HN GLN 83 84.716 -8.769 -3.598 624 HA GLN 83 HA GLN 83 85.569 -11.185 -4.833 625 HB2 GLN 83 HB2 GLN 83 85.216 -10.538 -1.886 626 HB3 GLN 83 HB1 GLN 83 86.083 -11.941 -2.504 627 HG2 GLN 83 HG2 GLN 83 87.875 -10.512 -2.329 628 HG3 GLN 83 HG1 GLN 83 87.322 -10.021 -3.931 629 HE21 GLN 83 HE21 GLN 83 88.356 -8.666 -1.132 630 HE22 GLN 83 HE22 GLN 83 87.437 -7.238 -1.126 631 H TYR 84 HN TYR 84 82.971 -10.661 -2.441 632 HA TYR 84 HA TYR 84 81.308 -12.703 -3.715 633 HD1 TYR 84 HD1 TYR 84 81.481 -15.310 -3.836 634 HD2 TYR 84 HD2 TYR 84 84.715 -13.741 -1.486 635 HE1 TYR 84 HE1 TYR 84 83.067 -16.802 -5.023 636 HE2 TYR 84 HE2 TYR 84 86.301 -15.234 -2.672 637 HH TYR 84 HH TYR 84 85.802 -17.726 -4.043 638 HB2 TYR 84 HB2 TYR 84 82.488 -13.152 -0.954 639 HB3 TYR 84 HB1 TYR 84 81.135 -14.070 -1.613 640 H GLY 85 HN GLY 85 81.864 -10.096 -1.582 641 HA2 GLY 85 HA2 GLY 85 80.138 -8.497 -1.019 642 HA3 GLY 85 HA1 GLY 85 78.932 -9.776 -1.205 643 H ILE 86 HN ILE 86 81.575 -8.658 0.868 644 HA ILE 86 HA ILE 86 81.459 -10.521 2.937 645 HB ILE 86 HB ILE 86 82.926 -8.365 2.654 646 HG12 ILE 86 HG12 ILE 86 83.035 -8.288 5.305 647 HG13 ILE 86 HG11 ILE 86 81.964 -9.683 5.170 648 HG21 ILE 86 HG21 ILE 86 82.182 -6.400 3.683 649 HG22 ILE 86 HG22 ILE 86 80.962 -7.244 4.636 650 HG23 ILE 86 HG23 ILE 86 80.708 -6.985 2.910 651 HD11 ILE 86 HD11 ILE 86 83.598 -10.790 3.681 652 HD12 ILE 86 HD12 ILE 86 84.319 -10.403 5.243 653 HD13 ILE 86 HD13 ILE 86 84.674 -9.402 3.836 654 H1U RCY 87 H1U RCY 87 78.050 -2.056 3.349 655 H1S RCY 87 H1S RCY 87 77.490 -6.118 3.188 656 HB1 RCY 87 HB1 RCY 87 75.582 -7.786 2.812 657 HB2 RCY 87 HB2 RCY 87 76.055 -9.148 1.795 658 HA RCY 87 HA RCY 87 77.473 -7.985 4.183 659 HN1 RCY 87 HN1 RCY 87 78.885 -8.699 1.835 Start of MODEL 77 1 HA MET 1 HA MET 1 82.645 -16.650 21.550 2 HB2 MET 1 HB2 MET 1 83.756 -14.697 22.690 3 HB3 MET 1 HB1 MET 1 83.225 -13.679 21.353 4 HG2 MET 1 HG2 MET 1 80.857 -14.612 21.855 5 HG3 MET 1 HG1 MET 1 81.541 -15.115 23.400 6 HE1 MET 1 HE1 MET 1 81.534 -13.399 25.513 7 HE2 MET 1 HE2 MET 1 82.626 -12.054 25.189 8 HE3 MET 1 HE3 MET 1 83.073 -13.684 24.689 9 H ASN 2 HN ASN 2 82.035 -13.578 20.159 10 HA ASN 2 HA ASN 2 80.617 -12.913 18.426 11 HB2 ASN 2 HB2 ASN 2 81.200 -13.677 16.330 12 HB3 ASN 2 HB1 ASN 2 82.578 -14.301 17.234 13 HD21 ASN 2 HD21 ASN 2 82.948 -16.511 16.984 14 HD22 ASN 2 HD22 ASN 2 81.786 -17.644 16.486 15 H LEU 3 HN LEU 3 78.479 -13.274 17.695 16 HA LEU 3 HA LEU 3 77.192 -15.756 18.779 17 HG LEU 3 HG LEU 3 74.823 -15.627 18.794 18 HB2 LEU 3 HB2 LEU 3 76.577 -13.503 19.828 19 HB3 LEU 3 HB1 LEU 3 75.825 -13.103 18.285 20 HD11 LEU 3 HD11 LEU 3 74.941 -14.075 21.399 21 HD12 LEU 3 HD12 LEU 3 75.778 -15.591 21.067 22 HD13 LEU 3 HD13 LEU 3 74.016 -15.552 21.129 23 HD21 LEU 3 HD21 LEU 3 73.641 -12.945 19.588 24 HD22 LEU 3 HD22 LEU 3 72.726 -14.428 19.312 25 HD23 LEU 3 HD23 LEU 3 73.577 -13.654 17.975 26 H GLU 4 HN GLU 4 75.589 -16.750 17.453 27 HA GLU 4 HA GLU 4 76.051 -16.891 14.708 28 HB2 GLU 4 HB2 GLU 4 74.590 -18.426 16.105 29 HB3 GLU 4 HB1 GLU 4 73.316 -17.215 15.966 30 HG2 GLU 4 HG2 GLU 4 74.716 -18.356 13.542 31 HG3 GLU 4 HG1 GLU 4 73.276 -19.105 14.233 32 HA PRO 5 HA PRO 5 74.938 -12.810 13.189 33 HB2 PRO 5 HB2 PRO 5 73.971 -14.507 10.903 34 HB3 PRO 5 HB1 PRO 5 74.929 -13.013 10.863 35 HG2 PRO 5 HG2 PRO 5 76.052 -15.415 10.542 36 HG3 PRO 5 HG1 PRO 5 76.885 -14.097 11.382 37 HD2 PRO 5 HD2 PRO 5 75.745 -16.590 12.500 38 HD3 PRO 5 HD1 PRO 5 76.986 -15.515 13.179 39 HA PRO 6 HA PRO 6 70.604 -12.541 14.083 40 HB2 PRO 6 HB2 PRO 6 69.870 -10.360 12.577 41 HB3 PRO 6 HB1 PRO 6 70.787 -10.245 14.091 42 HG2 PRO 6 HG2 PRO 6 71.757 -10.107 11.283 43 HG3 PRO 6 HG1 PRO 6 72.271 -9.182 12.704 44 HD2 PRO 6 HD2 PRO 6 73.703 -11.294 11.717 45 HD3 PRO 6 HD1 PRO 6 73.706 -10.846 13.438 46 H LYS 7 HN LYS 7 68.897 -13.693 13.323 47 HA LYS 7 HA LYS 7 67.780 -13.492 10.711 48 HB2 LYS 7 HB2 LYS 7 70.003 -14.729 10.240 49 HB3 LYS 7 HB1 LYS 7 69.283 -16.089 11.093 50 HG2 LYS 7 HG2 LYS 7 68.412 -16.656 9.074 51 HG3 LYS 7 HG1 LYS 7 67.261 -15.353 9.369 52 HD2 LYS 7 HD2 LYS 7 69.943 -14.917 8.035 53 HD3 LYS 7 HD1 LYS 7 68.459 -15.231 7.135 54 HE2 LYS 7 HE2 LYS 7 67.440 -13.270 8.442 55 HE3 LYS 7 HE1 LYS 7 69.092 -12.875 8.917 56 HZ1 LYS 7 HZ1 LYS 7 67.836 -12.159 6.581 57 HZ2 LYS 7 HZ2 LYS 7 68.916 -13.390 6.128 58 HZ3 LYS 7 HZ3 LYS 7 69.489 -12.007 6.932 59 H ALA 8 HN ALA 8 65.932 -14.958 10.485 60 HA ALA 8 HA ALA 8 65.346 -16.756 12.747 61 HB1 ALA 8 HB1 ALA 8 64.596 -14.499 13.514 62 HB2 ALA 8 HB2 ALA 8 63.260 -15.638 13.345 63 HB3 ALA 8 HB3 ALA 8 63.533 -14.409 12.110 64 H GLU 9 HN GLU 9 63.395 -15.072 10.270 65 HA GLU 9 HA GLU 9 63.247 -17.075 8.334 66 HB2 GLU 9 HB2 GLU 9 62.381 -18.737 9.739 67 HB3 GLU 9 HB1 GLU 9 61.454 -17.583 10.697 68 HG2 GLU 9 HG2 GLU 9 59.793 -17.353 9.025 69 HG3 GLU 9 HG1 GLU 9 60.823 -18.069 7.785 70 H1U RCY 10 H1U RCY 10 59.343 -9.501 4.281 71 H1S RCY 10 H1S RCY 10 59.058 -12.320 7.284 72 HB1 RCY 10 HB1 RCY 10 58.259 -14.714 10.003 73 HB2 RCY 10 HB2 RCY 10 58.315 -15.396 8.378 74 HA RCY 10 HA RCY 10 60.090 -13.807 7.759 75 HN1 RCY 10 HN1 RCY 10 60.842 -15.259 10.267 76 H ARG 11 HN ARG 11 58.945 -11.670 8.341 77 HA ARG 11 HA ARG 11 59.537 -10.532 10.959 78 HE ARG 11 HE ARG 11 63.630 -10.287 10.097 79 HB2 ARG 11 HB2 ARG 11 61.690 -10.530 9.319 80 HB3 ARG 11 HB1 ARG 11 60.921 -9.040 8.777 81 HG2 ARG 11 HG2 ARG 11 62.214 -8.234 10.533 82 HG3 ARG 11 HG1 ARG 11 60.705 -8.582 11.378 83 HD2 ARG 11 HD2 ARG 11 62.635 -9.498 12.613 84 HD3 ARG 11 HD1 ARG 11 61.580 -10.791 12.043 85 HH11 ARG 11 HH21 ARG 11 63.035 -11.605 13.227 86 HH12 ARG 11 HH22 ARG 11 64.335 -12.746 13.140 87 HH21 ARG 11 HH11 ARG 11 65.331 -11.769 9.965 88 HH22 ARG 11 HH12 ARG 11 65.635 -12.839 11.293 89 H SER 12 HN SER 12 59.231 -7.930 10.616 90 HA SER 12 HA SER 12 56.624 -7.702 9.203 91 HG SER 12 HG SER 12 57.576 -7.916 11.857 92 HB2 SER 12 HB2 SER 12 57.886 -5.642 11.020 93 HB3 SER 12 HB1 SER 12 56.186 -5.820 10.593 94 H ALA 13 HN ALA 13 56.517 -6.636 7.290 95 HA ALA 13 HA ALA 13 58.722 -4.725 6.603 96 HB1 ALA 13 HB1 ALA 13 58.498 -5.480 4.253 97 HB2 ALA 13 HB2 ALA 13 57.304 -6.675 4.759 98 HB3 ALA 13 HB3 ALA 13 58.973 -6.806 5.314 99 H THR 14 HN THR 14 56.500 -3.724 7.814 100 HA THR 14 HA THR 14 54.692 -2.789 5.634 101 HB THR 14 HB THR 14 53.244 -1.999 7.475 102 HG1 THR 14 HG1 THR 14 55.451 -2.883 8.985 103 HG21 THR 14 HG21 THR 14 52.700 -4.230 8.425 104 HG22 THR 14 HG22 THR 14 54.220 -4.853 7.783 105 HG23 THR 14 HG23 THR 14 52.960 -4.296 6.682 106 H ARG 15 HN ARG 15 56.375 -1.424 8.487 107 HA ARG 15 HA ARG 15 56.871 0.874 8.888 108 HE ARG 15 HE ARG 15 60.353 -1.893 4.300 109 HB2 ARG 15 HB2 ARG 15 58.683 1.555 7.165 110 HB3 ARG 15 HB1 ARG 15 58.981 0.129 8.156 111 HG2 ARG 15 HG2 ARG 15 58.259 -1.339 6.358 112 HG3 ARG 15 HG1 ARG 15 57.776 0.043 5.374 113 HD2 ARG 15 HD2 ARG 15 59.892 0.406 4.669 114 HD3 ARG 15 HD1 ARG 15 60.543 0.244 6.300 115 HH11 ARG 15 HH21 ARG 15 60.632 -0.978 7.612 116 HH12 ARG 15 HH22 ARG 15 61.355 -2.473 8.102 117 HH21 ARG 15 HH11 ARG 15 61.296 -3.851 4.921 118 HH22 ARG 15 HH12 ARG 15 61.731 -4.100 6.579 119 H VAL 16 HN VAL 16 57.596 1.831 5.739 120 HA VAL 16 HA VAL 16 54.944 2.706 4.933 121 HB VAL 16 HB VAL 16 55.316 4.302 6.756 122 HG11 VAL 16 HG11 VAL 16 57.781 5.212 5.254 123 HG12 VAL 16 HG12 VAL 16 57.853 4.085 6.609 124 HG13 VAL 16 HG13 VAL 16 57.242 5.722 6.854 125 HG21 VAL 16 HG21 VAL 16 55.855 5.725 4.139 126 HG22 VAL 16 HG22 VAL 16 54.925 6.312 5.518 127 HG23 VAL 16 HG23 VAL 16 54.290 5.005 4.518 128 H MET 17 HN MET 17 58.453 3.195 4.671 129 HA MET 17 HA MET 17 59.812 3.430 2.778 130 HB2 MET 17 HB2 MET 17 58.334 1.376 2.152 131 HB3 MET 17 HB1 MET 17 57.491 2.502 1.090 132 HG2 MET 17 HG2 MET 17 59.186 1.573 -0.278 133 HG3 MET 17 HG1 MET 17 59.831 3.140 0.209 134 HE1 MET 17 HE1 MET 17 62.226 3.281 0.700 135 HE2 MET 17 HE2 MET 17 62.072 2.161 -0.651 136 HE3 MET 17 HE3 MET 17 63.216 1.817 0.644 137 H GLY 18 HN GLY 18 56.655 4.089 1.241 138 HA2 GLY 18 HA2 GLY 18 56.389 6.795 1.369 139 HA3 GLY 18 HA1 GLY 18 57.717 6.632 0.219 140 H GLY 19 HN GLY 19 56.033 7.700 -1.220 141 HA2 GLY 19 HA2 GLY 19 53.677 6.292 -2.042 142 HA3 GLY 19 HA1 GLY 19 54.485 7.550 -2.979 143 HA PRO 20 HA PRO 20 54.777 3.671 -5.515 144 HB2 PRO 20 HB2 PRO 20 55.514 5.836 -7.448 145 HB3 PRO 20 HB1 PRO 20 54.437 4.443 -7.672 146 HG2 PRO 20 HG2 PRO 20 53.476 6.898 -7.314 147 HG3 PRO 20 HG1 PRO 20 52.667 5.478 -6.630 148 HD2 PRO 20 HD2 PRO 20 54.284 7.572 -5.245 149 HD3 PRO 20 HD1 PRO 20 52.923 6.606 -4.631 150 H1U RCY 21 H1U RCY 21 63.097 -1.020 -9.829 151 H1S RCY 21 H1S RCY 21 58.707 -0.852 -7.945 152 HB1 RCY 21 HB1 RCY 21 59.169 1.924 -5.537 153 HB2 RCY 21 HB2 RCY 21 60.079 1.962 -7.046 154 HA RCY 21 HA RCY 21 59.255 4.218 -5.966 155 HN1 RCY 21 HN1 RCY 21 56.730 3.447 -7.381 156 H THR 22 HN THR 22 59.746 5.924 -7.366 157 HA THR 22 HA THR 22 60.577 5.106 -10.095 158 HB THR 22 HB THR 22 58.311 6.068 -10.343 159 HG1 THR 22 HG1 THR 22 60.606 7.183 -11.362 160 HG21 THR 22 HG21 THR 22 59.294 8.751 -9.495 161 HG22 THR 22 HG22 THR 22 58.873 7.605 -8.222 162 HG23 THR 22 HG23 THR 22 57.667 8.074 -9.421 163 HA PRO 23 HA PRO 23 64.140 7.221 -8.175 164 HB2 PRO 23 HB2 PRO 23 65.017 6.980 -11.034 165 HB3 PRO 23 HB1 PRO 23 65.918 6.628 -9.545 166 HG2 PRO 23 HG2 PRO 23 64.884 4.678 -11.030 167 HG3 PRO 23 HG1 PRO 23 64.898 4.580 -9.261 168 HD2 PRO 23 HD2 PRO 23 62.600 5.079 -11.096 169 HD3 PRO 23 HD1 PRO 23 62.618 4.323 -9.487 170 H ARG 24 HN ARG 24 62.497 9.117 -8.153 171 HA ARG 24 HA ARG 24 61.879 11.296 -8.785 172 HE ARG 24 HE ARG 24 61.523 13.642 -9.346 173 HB2 ARG 24 HB2 ARG 24 64.829 11.052 -8.960 174 HB3 ARG 24 HB1 ARG 24 64.151 12.445 -9.800 175 HG2 ARG 24 HG2 ARG 24 63.182 11.841 -7.029 176 HG3 ARG 24 HG1 ARG 24 64.765 12.595 -7.222 177 HD2 ARG 24 HD2 ARG 24 63.115 14.356 -6.995 178 HD3 ARG 24 HD1 ARG 24 63.682 14.345 -8.665 179 HH11 ARG 24 HH21 ARG 24 62.002 13.376 -5.942 180 HH12 ARG 24 HH22 ARG 24 60.340 13.028 -5.601 181 HH21 ARG 24 HH11 ARG 24 59.350 13.188 -8.921 182 HH22 ARG 24 HH12 ARG 24 58.839 12.921 -7.287 183 H LYS 25 HN LYS 25 64.329 11.211 -11.301 184 HA LYS 25 HA LYS 25 62.181 11.597 -13.307 185 HB2 LYS 25 HB2 LYS 25 64.574 12.868 -12.983 186 HB3 LYS 25 HB1 LYS 25 65.028 11.639 -14.162 187 HG2 LYS 25 HG2 LYS 25 64.283 13.391 -15.530 188 HG3 LYS 25 HG1 LYS 25 62.845 12.378 -15.400 189 HD2 LYS 25 HD2 LYS 25 61.920 14.430 -14.870 190 HD3 LYS 25 HD1 LYS 25 62.402 13.897 -13.259 191 HE2 LYS 25 HE2 LYS 25 63.294 16.065 -13.362 192 HE3 LYS 25 HE1 LYS 25 64.671 15.062 -13.819 193 HZ1 LYS 25 HZ1 LYS 25 64.538 16.789 -15.397 194 HZ2 LYS 25 HZ2 LYS 25 62.864 16.585 -15.605 195 HZ3 LYS 25 HZ3 LYS 25 63.944 15.405 -16.177 196 H GLY 26 HN GLY 26 64.846 9.388 -12.543 197 HA2 GLY 26 HA2 GLY 26 63.741 7.032 -13.419 198 HA3 GLY 26 HA1 GLY 26 64.365 7.740 -14.910 199 HA PRO 27 HA PRO 27 67.627 5.012 -12.826 200 HB2 PRO 27 HB2 PRO 27 68.233 4.885 -15.759 201 HB3 PRO 27 HB1 PRO 27 68.305 3.599 -14.537 202 HG2 PRO 27 HG2 PRO 27 66.287 3.768 -16.267 203 HG3 PRO 27 HG1 PRO 27 66.040 3.230 -14.598 204 HD2 PRO 27 HD2 PRO 27 65.266 5.804 -15.872 205 HD3 PRO 27 HD1 PRO 27 64.543 4.971 -14.478 206 HA PRO 28 HA PRO 28 70.243 8.712 -12.658 207 HB2 PRO 28 HB2 PRO 28 72.224 6.548 -12.006 208 HB3 PRO 28 HB1 PRO 28 71.976 8.120 -11.217 209 HG2 PRO 28 HG2 PRO 28 71.038 5.869 -10.150 210 HG3 PRO 28 HG1 PRO 28 70.129 7.386 -10.051 211 HD2 PRO 28 HD2 PRO 28 69.563 4.969 -11.686 212 HD3 PRO 28 HD1 PRO 28 68.447 6.222 -11.101 213 H LYS 29 HN LYS 29 71.712 9.661 -14.097 214 HA LYS 29 HA LYS 29 72.120 8.349 -16.638 215 HB2 LYS 29 HB2 LYS 29 71.994 10.923 -15.977 216 HB3 LYS 29 HB1 LYS 29 73.742 10.741 -15.833 217 HG2 LYS 29 HG2 LYS 29 73.625 9.621 -18.159 218 HG3 LYS 29 HG1 LYS 29 72.011 10.323 -18.269 219 HD2 LYS 29 HD2 LYS 29 73.219 12.537 -17.549 220 HD3 LYS 29 HD1 LYS 29 74.671 11.715 -18.122 221 HE2 LYS 29 HE2 LYS 29 73.920 12.814 -20.053 222 HE3 LYS 29 HE1 LYS 29 73.240 11.198 -20.246 223 HZ1 LYS 29 HZ1 LYS 29 71.904 13.701 -19.873 224 HZ2 LYS 29 HZ2 LYS 29 71.381 12.525 -18.765 225 HZ3 LYS 29 HZ3 LYS 29 71.291 12.223 -20.435 226 H1U RCY 30 H1U RCY 30 73.597 4.943 -9.344 227 H1S RCY 30 H1S RCY 30 72.799 5.750 -13.677 228 HB1 RCY 30 HB1 RCY 30 76.162 4.881 -14.542 229 HB2 RCY 30 HB2 RCY 30 76.146 5.842 -16.020 230 HA RCY 30 HA RCY 30 75.582 6.665 -13.214 231 HN1 RCY 30 HN1 RCY 30 73.490 7.528 -13.872 232 H LYS 31 HN LYS 31 76.677 8.667 -12.817 233 HA LYS 31 HA LYS 31 78.139 9.923 -15.047 234 HB2 LYS 31 HB2 LYS 31 78.941 10.970 -12.481 235 HB3 LYS 31 HB1 LYS 31 78.041 11.772 -13.760 236 HG2 LYS 31 HG2 LYS 31 76.355 11.810 -12.217 237 HG3 LYS 31 HG1 LYS 31 76.105 10.141 -12.730 238 HD2 LYS 31 HD2 LYS 31 78.072 10.805 -10.544 239 HD3 LYS 31 HD1 LYS 31 76.356 10.604 -10.187 240 HE2 LYS 31 HE2 LYS 31 76.392 8.355 -11.166 241 HE3 LYS 31 HE1 LYS 31 78.091 8.552 -11.593 242 HZ1 LYS 31 HZ1 LYS 31 77.374 9.026 -8.810 243 HZ2 LYS 31 HZ2 LYS 31 78.756 8.289 -9.468 244 HZ3 LYS 31 HZ3 LYS 31 77.303 7.417 -9.344 245 H GLN 32 HN GLN 32 78.751 7.142 -14.008 246 HA GLN 32 HA GLN 32 81.670 7.499 -13.947 247 HB2 GLN 32 HB2 GLN 32 80.140 6.275 -11.634 248 HB3 GLN 32 HB1 GLN 32 81.871 6.048 -11.883 249 HG2 GLN 32 HG2 GLN 32 82.034 8.609 -11.963 250 HG3 GLN 32 HG1 GLN 32 80.394 8.622 -11.313 251 HE21 GLN 32 HE21 GLN 32 80.078 7.866 -9.109 252 HE22 GLN 32 HE22 GLN 32 81.386 7.610 -8.057 253 H ARG 33 HN ARG 33 82.410 5.995 -15.344 254 HA ARG 33 HA ARG 33 81.163 3.285 -15.336 255 HE ARG 33 HE ARG 33 80.865 2.071 -16.625 256 HB2 ARG 33 HB2 ARG 33 81.597 5.102 -17.710 257 HB3 ARG 33 HB1 ARG 33 81.473 3.354 -17.897 258 HG2 ARG 33 HG2 ARG 33 79.371 4.673 -16.250 259 HG3 ARG 33 HG1 ARG 33 79.315 4.967 -17.988 260 HD2 ARG 33 HD2 ARG 33 78.069 2.878 -16.994 261 HD3 ARG 33 HD1 ARG 33 78.981 2.712 -18.495 262 HH11 ARG 33 HH21 ARG 33 77.577 1.159 -17.120 263 HH12 ARG 33 HH22 ARG 33 77.773 -0.420 -16.436 264 HH21 ARG 33 HH11 ARG 33 81.140 0.015 -15.728 265 HH22 ARG 33 HH12 ARG 33 79.790 -1.068 -15.647 266 H GLN 34 HN GLN 34 83.058 2.541 -14.244 267 HA GLN 34 HA GLN 34 85.259 1.856 -16.006 268 HB2 GLN 34 HB2 GLN 34 85.693 4.293 -15.255 269 HB3 GLN 34 HB1 GLN 34 86.009 3.608 -13.662 270 HG2 GLN 34 HG2 GLN 34 88.144 3.633 -14.642 271 HG3 GLN 34 HG1 GLN 34 87.601 1.982 -14.939 272 HE21 GLN 34 HE21 GLN 34 89.519 3.583 -16.583 273 HE22 GLN 34 HE22 GLN 34 88.840 3.663 -18.137 274 H THR 35 HN THR 35 86.681 0.298 -15.001 275 HA THR 35 HA THR 35 85.452 -0.996 -12.627 276 HB THR 35 HB THR 35 86.585 -2.978 -13.290 277 HG1 THR 35 HG1 THR 35 88.119 -1.300 -14.985 278 HG21 THR 35 HG21 THR 35 84.736 -2.144 -14.829 279 HG22 THR 35 HG22 THR 35 85.853 -3.305 -15.544 280 HG23 THR 35 HG23 THR 35 86.011 -1.588 -15.914 281 H ARG 36 HN ARG 36 87.326 -2.162 -11.257 282 HA ARG 36 HA ARG 36 88.892 -1.692 -9.557 283 HE ARG 36 HE ARG 36 90.794 -4.523 -13.384 284 HB2 ARG 36 HB2 ARG 36 90.381 -0.425 -11.875 285 HB3 ARG 36 HB1 ARG 36 91.083 -1.110 -10.409 286 HG2 ARG 36 HG2 ARG 36 90.253 -3.336 -11.025 287 HG3 ARG 36 HG1 ARG 36 89.496 -2.667 -12.471 288 HD2 ARG 36 HD2 ARG 36 91.753 -1.903 -13.238 289 HD3 ARG 36 HD1 ARG 36 92.462 -2.727 -11.850 290 HH11 ARG 36 HH21 ARG 36 93.836 -2.906 -13.246 291 HH12 ARG 36 HH22 ARG 36 94.666 -4.105 -14.180 292 HH21 ARG 36 HH11 ARG 36 91.861 -6.099 -14.603 293 HH22 ARG 36 HH12 ARG 36 93.548 -5.913 -14.948 294 H GLN 37 HN GLN 37 86.827 0.340 -9.920 295 HA GLN 37 HA GLN 37 88.181 2.935 -9.692 296 HB2 GLN 37 HB2 GLN 37 85.905 3.820 -9.335 297 HB3 GLN 37 HB1 GLN 37 85.958 2.772 -10.753 298 HG2 GLN 37 HG2 GLN 37 85.275 0.877 -9.114 299 HG3 GLN 37 HG1 GLN 37 84.809 2.187 -8.028 300 HE21 GLN 37 HE21 GLN 37 83.705 4.068 -9.755 301 HE22 GLN 37 HE22 GLN 37 82.364 3.410 -10.561 302 H1U RCY 38 H1U RCY 38 82.476 3.374 -1.317 303 H1S RCY 38 H1S RCY 38 86.731 5.203 -2.327 304 HB1 RCY 38 HB1 RCY 38 87.009 3.040 -4.284 305 HB2 RCY 38 HB2 RCY 38 86.466 3.665 -5.840 306 HA RCY 38 HA RCY 38 89.343 3.994 -5.509 307 HN1 RCY 38 HN1 RCY 38 88.955 3.735 -7.806 308 H LYS 39 HN LYS 39 90.630 2.655 -4.350 309 HA LYS 39 HA LYS 39 89.753 0.109 -3.341 310 HB2 LYS 39 HB2 LYS 39 90.198 -0.359 -5.832 311 HB3 LYS 39 HB1 LYS 39 91.899 -0.095 -5.465 312 HG2 LYS 39 HG2 LYS 39 92.093 -2.145 -4.536 313 HG3 LYS 39 HG1 LYS 39 90.682 -1.873 -3.513 314 HD2 LYS 39 HD2 LYS 39 90.359 -2.495 -6.444 315 HD3 LYS 39 HD1 LYS 39 90.569 -3.790 -5.264 316 HE2 LYS 39 HE2 LYS 39 88.637 -2.909 -3.979 317 HE3 LYS 39 HE1 LYS 39 88.408 -1.662 -5.205 318 HZ1 LYS 39 HZ1 LYS 39 88.479 -4.520 -5.937 319 HZ2 LYS 39 HZ2 LYS 39 87.803 -3.217 -6.793 320 HZ3 LYS 39 HZ3 LYS 39 87.045 -3.798 -5.388 321 H SER 40 HN SER 40 92.273 -1.131 -3.052 322 HA SER 40 HA SER 40 94.340 -0.949 -1.939 323 HG SER 40 HG SER 40 96.071 1.151 -1.129 324 HB2 SER 40 HB2 SER 40 94.307 1.370 -3.293 325 HB3 SER 40 HB1 SER 40 94.152 2.016 -1.662 326 H LYS 41 HN LYS 41 91.724 1.199 -0.816 327 HA LYS 41 HA LYS 41 92.499 1.513 1.846 328 HB2 LYS 41 HB2 LYS 41 90.378 2.301 2.201 329 HB3 LYS 41 HB1 LYS 41 90.289 2.206 0.447 330 HG2 LYS 41 HG2 LYS 41 89.475 -0.058 2.295 331 HG3 LYS 41 HG1 LYS 41 88.340 1.112 1.621 332 HD2 LYS 41 HD2 LYS 41 90.158 -0.178 -0.334 333 HD3 LYS 41 HD1 LYS 41 88.955 -1.237 0.404 334 HE2 LYS 41 HE2 LYS 41 87.193 0.449 -0.196 335 HE3 LYS 41 HE1 LYS 41 88.426 1.358 -1.071 336 HZ1 LYS 41 HZ1 LYS 41 87.738 0.070 -2.765 337 HZ2 LYS 41 HZ2 LYS 41 87.138 -1.155 -1.752 338 HZ3 LYS 41 HZ3 LYS 41 88.802 -1.063 -2.085 339 HA PRO 42 HA PRO 42 92.485 -2.735 3.225 340 HB2 PRO 42 HB2 PRO 42 92.947 -2.322 5.871 341 HB3 PRO 42 HB1 PRO 42 94.202 -2.087 4.639 342 HG2 PRO 42 HG2 PRO 42 92.519 -0.057 6.021 343 HG3 PRO 42 HG1 PRO 42 94.237 0.002 5.594 344 HD2 PRO 42 HD2 PRO 42 92.261 1.246 4.127 345 HD3 PRO 42 HD1 PRO 42 93.812 0.715 3.440 346 HA PRO 43 HA PRO 43 88.354 -3.243 4.884 347 HB2 PRO 43 HB2 PRO 43 88.345 -5.889 5.349 348 HB3 PRO 43 HB1 PRO 43 88.482 -5.249 3.698 349 HG2 PRO 43 HG2 PRO 43 90.610 -6.335 5.473 350 HG3 PRO 43 HG1 PRO 43 90.376 -6.545 3.730 351 HD2 PRO 43 HD2 PRO 43 92.145 -4.724 4.884 352 HD3 PRO 43 HD1 PRO 43 91.515 -4.616 3.225 353 H LYS 44 HN LYS 44 87.230 -3.551 6.887 354 HA LYS 44 HA LYS 44 87.028 -3.460 9.224 355 HB2 LYS 44 HB2 LYS 44 87.962 -5.890 8.601 356 HB3 LYS 44 HB1 LYS 44 89.357 -5.315 9.508 357 HG2 LYS 44 HG2 LYS 44 88.072 -6.236 11.219 358 HG3 LYS 44 HG1 LYS 44 87.527 -4.559 11.258 359 HD2 LYS 44 HD2 LYS 44 85.519 -5.805 11.252 360 HD3 LYS 44 HD1 LYS 44 85.718 -5.315 9.569 361 HE2 LYS 44 HE2 LYS 44 86.365 -7.452 8.884 362 HE3 LYS 44 HE1 LYS 44 86.888 -7.921 10.501 363 HZ1 LYS 44 HZ1 LYS 44 84.448 -8.439 9.326 364 HZ2 LYS 44 HZ2 LYS 44 84.137 -7.245 10.494 365 HZ3 LYS 44 HZ3 LYS 44 84.880 -8.705 10.945 366 H LYS 45 HN LYS 45 88.454 -1.311 8.320 367 HA LYS 45 HA LYS 45 90.042 -0.615 10.619 368 HB2 LYS 45 HB2 LYS 45 91.560 -2.132 9.098 369 HB3 LYS 45 HB1 LYS 45 91.689 -0.683 8.102 370 HG2 LYS 45 HG2 LYS 45 93.473 -0.338 9.542 371 HG3 LYS 45 HG1 LYS 45 92.190 0.470 10.445 372 HD2 LYS 45 HD2 LYS 45 91.799 -1.620 11.725 373 HD3 LYS 45 HD1 LYS 45 93.129 -2.385 10.855 374 HE2 LYS 45 HE2 LYS 45 94.584 -0.442 11.684 375 HE3 LYS 45 HE1 LYS 45 93.261 -0.064 12.786 376 HZ1 LYS 45 HZ1 LYS 45 93.773 -2.819 12.899 377 HZ2 LYS 45 HZ2 LYS 45 93.952 -1.660 14.128 378 HZ3 LYS 45 HZ3 LYS 45 95.248 -2.001 13.083 379 H GLY 46 HN GLY 46 88.577 0.060 7.604 380 HA2 GLY 46 HA2 GLY 46 89.443 2.896 7.622 381 HA3 GLY 46 HA1 GLY 46 88.494 2.118 6.354 382 H VAL 47 HN VAL 47 86.578 3.201 6.291 383 HA VAL 47 HA VAL 47 84.581 4.192 7.023 384 HB VAL 47 HB VAL 47 84.953 2.000 9.080 385 HG11 VAL 47 HG11 VAL 47 82.419 2.337 9.347 386 HG12 VAL 47 HG12 VAL 47 82.662 3.905 8.577 387 HG13 VAL 47 HG13 VAL 47 83.460 3.540 10.107 388 HG21 VAL 47 HG21 VAL 47 83.169 0.920 7.672 389 HG22 VAL 47 HG22 VAL 47 84.687 1.173 6.811 390 HG23 VAL 47 HG23 VAL 47 83.324 2.257 6.534 391 H GLN 48 HN GLN 48 85.332 6.248 7.609 392 HA GLN 48 HA GLN 48 85.026 7.022 10.337 393 HB2 GLN 48 HB2 GLN 48 87.452 7.739 10.703 394 HB3 GLN 48 HB1 GLN 48 87.135 6.009 10.830 395 HG2 GLN 48 HG2 GLN 48 88.033 5.577 8.669 396 HG3 GLN 48 HG1 GLN 48 88.010 7.287 8.235 397 HE21 GLN 48 HE21 GLN 48 90.416 5.671 8.130 398 HE22 GLN 48 HE22 GLN 48 91.497 6.283 9.287 399 H GLY 49 HN GLY 49 85.450 7.626 7.083 400 HA2 GLY 49 HA2 GLY 49 84.583 10.302 7.169 401 HA3 GLY 49 HA1 GLY 49 86.345 10.358 7.109 402 H1U RCY 50 H1U RCY 50 86.092 4.900 1.108 403 H1S RCY 50 H1S RCY 50 81.806 5.866 3.000 404 HB1 RCY 50 HB1 RCY 50 82.631 9.338 1.799 405 HB2 RCY 50 HB2 RCY 50 82.270 10.347 3.199 406 HA RCY 50 HA RCY 50 84.571 8.376 3.057 407 HN1 RCY 50 HN1 RCY 50 83.464 9.771 5.290 408 H GLY 51 HN GLY 51 83.597 10.561 1.120 409 HA2 GLY 51 HA2 GLY 51 85.630 12.651 1.375 410 HA3 GLY 51 HA1 GLY 51 85.955 11.491 0.086 411 H ASP 52 HN ASP 52 82.799 12.717 1.171 412 HA ASP 52 HA ASP 52 81.098 13.779 -0.048 413 HB2 ASP 52 HB2 ASP 52 82.955 15.546 -0.039 414 HB3 ASP 52 HB1 ASP 52 83.334 15.004 -1.674 415 H ASP 53 HN ASP 53 82.011 14.534 -2.995 416 HA ASP 53 HA ASP 53 81.707 13.580 -5.112 417 HB2 ASP 53 HB2 ASP 53 82.387 10.921 -3.842 418 HB3 ASP 53 HB1 ASP 53 82.649 11.430 -5.509 419 H ILE 54 HN ILE 54 79.416 13.884 -3.475 420 HA ILE 54 HA ILE 54 77.783 11.525 -4.352 421 HB ILE 54 HB ILE 54 77.301 13.249 -1.900 422 HG12 ILE 54 HG12 ILE 54 77.941 10.372 -1.620 423 HG13 ILE 54 HG11 ILE 54 79.283 11.386 -2.150 424 HG21 ILE 54 HG21 ILE 54 75.981 10.741 -2.978 425 HG22 ILE 54 HG22 ILE 54 75.244 12.335 -2.808 426 HG23 ILE 54 HG23 ILE 54 75.676 11.405 -1.373 427 HD11 ILE 54 HD11 ILE 54 77.559 11.888 0.295 428 HD12 ILE 54 HD12 ILE 54 78.904 12.897 -0.237 429 HD13 ILE 54 HD13 ILE 54 79.203 11.249 0.314 430 HA PRO 55 HA PRO 55 76.048 15.393 -6.191 431 HB2 PRO 55 HB2 PRO 55 76.117 14.651 -8.789 432 HB3 PRO 55 HB1 PRO 55 77.557 15.269 -7.955 433 HG2 PRO 55 HG2 PRO 55 76.841 12.479 -8.667 434 HG3 PRO 55 HG1 PRO 55 78.426 13.268 -8.632 435 HD2 PRO 55 HD2 PRO 55 77.400 11.592 -6.628 436 HD3 PRO 55 HD1 PRO 55 78.772 12.705 -6.442 437 H GLY 56 HN GLY 56 75.059 12.227 -5.815 438 HA2 GLY 56 HA2 GLY 56 72.878 11.796 -7.484 439 HA3 GLY 56 HA1 GLY 56 72.892 11.306 -5.790 440 H MET 57 HN MET 57 71.981 12.742 -4.218 441 HA MET 57 HA MET 57 70.281 14.166 -3.480 442 HB2 MET 57 HB2 MET 57 70.907 16.331 -3.759 443 HB3 MET 57 HB1 MET 57 72.250 15.667 -4.679 444 HG2 MET 57 HG2 MET 57 71.412 17.105 -6.283 445 HG3 MET 57 HG1 MET 57 70.411 15.697 -6.638 446 HE1 MET 57 HE1 MET 57 69.496 17.867 -7.820 447 HE2 MET 57 HE2 MET 57 68.002 18.582 -7.220 448 HE3 MET 57 HE3 MET 57 68.072 16.853 -7.553 449 H GLU 58 HN GLU 58 70.064 12.605 -6.332 450 HA GLU 58 HA GLU 58 67.591 13.956 -7.265 451 HB2 GLU 58 HB2 GLU 58 69.158 11.609 -8.382 452 HB3 GLU 58 HB1 GLU 58 67.689 12.261 -9.107 453 HG2 GLU 58 HG2 GLU 58 69.054 14.552 -8.901 454 HG3 GLU 58 HG1 GLU 58 70.427 13.448 -8.980 455 H GLY 59 HN GLY 59 67.172 10.858 -8.133 456 HA2 GLY 59 HA2 GLY 59 64.919 10.379 -6.508 457 HA3 GLY 59 HA1 GLY 59 65.795 9.118 -7.374 458 H1U RCY 60 H1U RCY 60 71.644 2.470 -4.885 459 H1S RCY 60 H1S RCY 60 69.414 6.225 -5.679 460 HB1 RCY 60 HB1 RCY 60 68.299 7.274 -4.095 461 HB2 RCY 60 HB2 RCY 60 69.562 7.878 -3.023 462 HA RCY 60 HA RCY 60 67.336 9.136 -2.950 463 HN1 RCY 60 HN1 RCY 60 68.055 10.532 -5.444 464 H GLY 61 HN GLY 61 70.644 9.285 -3.129 465 HA2 GLY 61 HA2 GLY 61 72.232 10.815 -2.323 466 HA3 GLY 61 HA1 GLY 61 71.131 12.102 -2.820 467 H THR 62 HN THR 62 69.149 12.342 -1.324 468 HA THR 62 HA THR 62 69.985 12.980 1.294 469 HB THR 62 HB THR 62 67.971 13.998 0.657 470 HG1 THR 62 HG1 THR 62 66.879 13.533 2.381 471 HG21 THR 62 HG21 THR 62 67.289 12.765 -1.224 472 HG22 THR 62 HG22 THR 62 65.993 12.472 -0.065 473 HG23 THR 62 HG23 THR 62 67.236 11.248 -0.325 474 H ASP 63 HN ASP 63 68.542 9.997 0.029 475 HA ASP 63 HA ASP 63 68.281 8.723 2.610 476 HB2 ASP 63 HB2 ASP 63 68.434 7.599 -0.202 477 HB3 ASP 63 HB1 ASP 63 68.108 6.618 1.228 478 H ILE 64 HN ILE 64 70.894 9.944 2.208 479 HA ILE 64 HA ILE 64 72.562 7.527 2.683 480 HB ILE 64 HB ILE 64 73.499 9.806 0.928 481 HG12 ILE 64 HG12 ILE 64 72.361 7.103 0.148 482 HG13 ILE 64 HG11 ILE 64 71.656 8.678 -0.216 483 HG21 ILE 64 HG21 ILE 64 74.562 6.986 1.220 484 HG22 ILE 64 HG22 ILE 64 75.153 8.337 2.189 485 HG23 ILE 64 HG23 ILE 64 75.346 8.357 0.436 486 HD11 ILE 64 HD11 ILE 64 74.177 7.449 -1.325 487 HD12 ILE 64 HD12 ILE 64 73.916 9.192 -1.375 488 HD13 ILE 64 HD13 ILE 64 72.797 8.110 -2.202 489 H THR 65 HN THR 65 72.177 11.041 2.912 490 HA THR 65 HA THR 65 74.375 11.226 4.876 491 HB THR 65 HB THR 65 72.434 13.341 3.895 492 HG1 THR 65 HG1 THR 65 74.859 13.774 3.050 493 HG21 THR 65 HG21 THR 65 73.345 14.002 6.017 494 HG22 THR 65 HG22 THR 65 74.253 14.870 4.779 495 HG23 THR 65 HG23 THR 65 74.958 13.456 5.561 496 H VAL 66 HN VAL 66 70.824 11.502 4.801 497 HA VAL 66 HA VAL 66 70.790 11.839 7.746 498 HB VAL 66 HB VAL 66 68.215 11.847 7.229 499 HG11 VAL 66 HG11 VAL 66 68.425 14.268 6.503 500 HG12 VAL 66 HG12 VAL 66 70.164 14.005 6.383 501 HG13 VAL 66 HG13 VAL 66 69.354 13.844 7.941 502 HG21 VAL 66 HG21 VAL 66 67.659 12.472 4.951 503 HG22 VAL 66 HG22 VAL 66 68.580 10.969 4.895 504 HG23 VAL 66 HG23 VAL 66 69.363 12.498 4.498 505 H ILE 67 HN ILE 67 69.620 9.548 5.263 506 HA ILE 67 HA ILE 67 69.554 7.458 7.403 507 HB ILE 67 HB ILE 67 67.466 7.892 5.248 508 HG12 ILE 67 HG12 ILE 67 67.105 7.822 8.250 509 HG13 ILE 67 HG11 ILE 67 67.436 9.322 7.384 510 HG21 ILE 67 HG21 ILE 67 66.364 5.935 6.464 511 HG22 ILE 67 HG22 ILE 67 67.927 5.654 7.231 512 HG23 ILE 67 HG23 ILE 67 67.770 5.531 5.479 513 HD11 ILE 67 HD11 ILE 67 65.024 9.065 7.636 514 HD12 ILE 67 HD12 ILE 67 65.092 7.456 6.918 515 HD13 ILE 67 HD13 ILE 67 65.451 8.876 5.936 516 H1U RCY 68 H1U RCY 68 75.405 1.784 -0.732 517 H1S RCY 68 H1S RCY 68 72.931 3.799 2.876 518 HB1 RCY 68 HB1 RCY 68 73.618 5.961 6.104 519 HB2 RCY 68 HB2 RCY 68 73.748 6.619 4.474 520 HA RCY 68 HA RCY 68 71.681 5.754 3.819 521 HN1 RCY 68 HN1 RCY 68 71.515 6.591 6.655 522 HA PRO 69 HA PRO 69 69.728 1.817 4.807 523 HB2 PRO 69 HB2 PRO 69 71.667 1.037 2.641 524 HB3 PRO 69 HB1 PRO 69 69.976 0.542 2.864 525 HG2 PRO 69 HG2 PRO 69 70.652 2.442 1.120 526 HG3 PRO 69 HG1 PRO 69 69.154 2.543 2.060 527 HD2 PRO 69 HD2 PRO 69 71.626 4.160 2.314 528 HD3 PRO 69 HD1 PRO 69 69.973 4.538 2.845 529 H TRP 70 HN TRP 70 73.126 2.539 4.894 530 HA TRP 70 HA TRP 70 74.144 0.031 5.794 531 HD1 TRP 70 HD1 TRP 70 76.421 -0.709 5.612 532 HE1 TRP 70 HE1 TRP 70 78.283 -1.383 7.260 533 HE3 TRP 70 HE3 TRP 70 76.420 3.385 8.663 534 HZ2 TRP 70 HZ2 TRP 70 79.602 -0.324 9.572 535 HZ3 TRP 70 HZ3 TRP 70 77.985 3.528 10.575 536 HH2 TRP 70 HH2 TRP 70 79.574 1.683 11.035 537 HB2 TRP 70 HB2 TRP 70 75.531 2.035 5.133 538 HB3 TRP 70 HB1 TRP 70 75.088 2.778 6.671 539 H GLU 71 HN GLU 71 71.773 1.919 7.132 540 HA GLU 71 HA GLU 71 72.422 1.068 9.928 541 HB2 GLU 71 HB2 GLU 71 70.587 3.240 8.870 542 HB3 GLU 71 HB1 GLU 71 70.710 2.789 10.573 543 HG2 GLU 71 HG2 GLU 71 73.173 3.268 10.455 544 HG3 GLU 71 HG1 GLU 71 72.928 3.880 8.819 545 H ALA 72 HN ALA 72 69.627 1.456 7.714 546 HA ALA 72 HA ALA 72 67.890 -0.231 9.269 547 HB1 ALA 72 HB1 ALA 72 67.842 0.668 6.380 548 HB2 ALA 72 HB2 ALA 72 66.858 1.266 7.716 549 HB3 ALA 72 HB3 ALA 72 66.582 -0.352 7.073 550 H1U RCY 73 H1U RCY 73 71.822 2.376 2.960 551 H1S RCY 73 H1S RCY 73 69.439 -1.737 1.910 552 HB1 RCY 73 HB1 RCY 73 70.515 -3.877 4.351 553 HB2 RCY 73 HB2 RCY 73 70.732 -2.132 4.489 554 HA RCY 73 HA RCY 73 68.954 -3.754 6.333 555 HN1 RCY 73 HN1 RCY 73 69.415 -0.904 6.088 556 H ASN 74 HN ASN 74 70.147 -3.097 8.680 557 HA ASN 74 HA ASN 74 71.896 -3.793 10.079 558 HB2 ASN 74 HB2 ASN 74 73.273 -5.139 7.774 559 HB3 ASN 74 HB1 ASN 74 73.121 -5.668 9.451 560 HD21 ASN 74 HD21 ASN 74 70.469 -5.744 9.985 561 HD22 ASN 74 HD22 ASN 74 69.626 -6.719 8.880 562 H HIS 75 HN HIS 75 74.665 -4.048 9.453 563 HA HIS 75 HA HIS 75 75.370 -1.521 8.070 564 HD1 HIS 75 HD1 HIS 75 73.171 -1.366 10.742 565 HD2 HIS 75 HD2 HIS 75 76.480 -3.096 12.601 566 HE1 HIS 75 HE1 HIS 75 72.296 -2.547 12.805 567 HE2 HIS 75 HE2 HIS 75 74.300 -3.604 13.946 568 HB2 HIS 75 HB2 HIS 75 76.967 -1.488 10.395 569 HB3 HIS 75 HB1 HIS 75 75.637 -0.399 10.018 570 H1U RCY 76 H1U RCY 76 75.717 2.821 4.626 571 H1S RCY 76 H1S RCY 76 77.366 -1.391 6.204 572 HB1 RCY 76 HB1 RCY 76 79.778 -4.167 5.779 573 HB2 RCY 76 HB2 RCY 76 79.243 -2.803 6.761 574 HA RCY 76 HA RCY 76 77.627 -5.312 6.213 575 HN1 RCY 76 HN1 RCY 76 75.945 -3.770 6.850 576 H GLU 77 HN GLU 77 76.996 -5.787 8.855 577 HA GLU 77 HA GLU 77 79.183 -5.579 10.675 578 HB2 GLU 77 HB2 GLU 77 76.610 -6.399 10.918 579 HB3 GLU 77 HB1 GLU 77 77.414 -7.965 10.912 580 HG2 GLU 77 HG2 GLU 77 78.880 -7.252 12.742 581 HG3 GLU 77 HG1 GLU 77 78.144 -5.648 12.726 582 H LEU 78 HN LEU 78 78.945 -8.686 11.130 583 HA LEU 78 HA LEU 78 81.501 -9.326 10.038 584 HG LEU 78 HG LEU 78 81.228 -9.494 12.424 585 HB2 LEU 78 HB2 LEU 78 79.285 -10.905 11.302 586 HB3 LEU 78 HB1 LEU 78 80.633 -11.760 10.553 587 HD11 LEU 78 HD11 LEU 78 80.328 -12.277 13.204 588 HD12 LEU 78 HD12 LEU 78 79.677 -10.736 13.761 589 HD13 LEU 78 HD13 LEU 78 81.284 -11.251 14.273 590 HD21 LEU 78 HD21 LEU 78 83.049 -10.568 11.178 591 HD22 LEU 78 HD22 LEU 78 82.549 -12.150 11.777 592 HD23 LEU 78 HD23 LEU 78 83.194 -10.947 12.895 593 H HIS 79 HN HIS 79 78.214 -9.921 8.802 594 HA HIS 79 HA HIS 79 79.346 -10.390 6.138 595 HD1 HIS 79 HD1 HIS 79 80.062 -13.644 8.842 596 HD2 HIS 79 HD2 HIS 79 80.995 -12.228 5.031 597 HE1 HIS 79 HE1 HIS 79 82.483 -14.259 8.423 598 HE2 HIS 79 HE2 HIS 79 83.064 -13.402 6.106 599 HB2 HIS 79 HB2 HIS 79 78.081 -12.612 7.747 600 HB3 HIS 79 HB1 HIS 79 78.126 -12.650 5.985 601 H GLU 80 HN GLU 80 76.445 -10.504 8.205 602 HA GLU 80 HA GLU 80 74.226 -9.915 7.731 603 HB2 GLU 80 HB2 GLU 80 75.832 -8.058 5.975 604 HB3 GLU 80 HB1 GLU 80 74.070 -8.012 5.968 605 HG2 GLU 80 HG2 GLU 80 75.267 -6.431 7.609 606 HG3 GLU 80 HG1 GLU 80 73.965 -7.424 8.264 607 H LEU 81 HN LEU 81 74.372 -8.960 4.535 608 HA LEU 81 HA LEU 81 73.272 -11.583 3.659 609 HG LEU 81 HG LEU 81 70.691 -9.130 2.919 610 HB2 LEU 81 HB2 LEU 81 73.048 -8.752 2.644 611 HB3 LEU 81 HB1 LEU 81 72.634 -10.111 1.602 612 HD11 LEU 81 HD11 LEU 81 71.109 -11.973 3.775 613 HD12 LEU 81 HD12 LEU 81 71.052 -11.605 2.051 614 HD13 LEU 81 HD13 LEU 81 69.675 -11.214 3.082 615 HD21 LEU 81 HD21 LEU 81 72.187 -8.872 5.003 616 HD22 LEU 81 HD22 LEU 81 71.933 -10.600 5.250 617 HD23 LEU 81 HD23 LEU 81 70.558 -9.496 5.264 618 H ALA 82 HN ALA 82 76.200 -10.878 3.971 619 HA ALA 82 HA ALA 82 77.380 -10.535 1.390 620 HB1 ALA 82 HB1 ALA 82 78.661 -10.229 3.463 621 HB2 ALA 82 HB2 ALA 82 79.428 -11.451 2.449 622 HB3 ALA 82 HB3 ALA 82 78.471 -11.940 3.846 623 H GLN 83 HN GLN 83 75.928 -12.033 0.152 624 HA GLN 83 HA GLN 83 75.906 -14.855 0.552 625 HB2 GLN 83 HB2 GLN 83 74.338 -13.739 -0.977 626 HB3 GLN 83 HB1 GLN 83 75.674 -13.277 -2.031 627 HG2 GLN 83 HG2 GLN 83 76.152 -15.576 -2.564 628 HG3 GLN 83 HG1 GLN 83 75.030 -16.152 -1.331 629 HE21 GLN 83 HE21 GLN 83 72.656 -15.366 -1.688 630 HE22 GLN 83 HE22 GLN 83 72.107 -15.314 -3.293 631 H TYR 84 HN TYR 84 77.997 -12.826 -1.512 632 HA TYR 84 HA TYR 84 80.298 -14.503 -1.054 633 HD1 TYR 84 HD2 TYR 84 81.871 -16.152 -1.959 634 HD2 TYR 84 HD1 TYR 84 77.775 -17.142 -2.794 635 HE1 TYR 84 HE2 TYR 84 82.237 -18.430 -1.050 636 HE2 TYR 84 HE1 TYR 84 78.141 -19.420 -1.884 637 HH TYR 84 HH TYR 84 80.566 -20.261 0.043 638 HB2 TYR 84 HB2 TYR 84 78.586 -15.050 -3.416 639 HB3 TYR 84 HB1 TYR 84 80.311 -14.910 -3.756 640 H GLY 85 HN GLY 85 78.925 -12.430 -3.643 641 HA2 GLY 85 HA2 GLY 85 81.465 -11.047 -4.003 642 HA3 GLY 85 HA1 GLY 85 79.925 -10.588 -4.738 643 H ILE 86 HN ILE 86 80.978 -10.931 -1.337 644 HA ILE 86 HA ILE 86 79.386 -8.914 -0.258 645 HB ILE 86 HB ILE 86 80.921 -10.508 0.998 646 HG12 ILE 86 HG12 ILE 86 81.106 -7.586 1.794 647 HG13 ILE 86 HG11 ILE 86 79.675 -8.588 2.040 648 HG21 ILE 86 HG21 ILE 86 82.971 -8.319 0.626 649 HG22 ILE 86 HG22 ILE 86 82.940 -9.751 -0.402 650 HG23 ILE 86 HG23 ILE 86 83.200 -9.918 1.334 651 HD11 ILE 86 HD11 ILE 86 80.855 -8.696 4.101 652 HD12 ILE 86 HD12 ILE 86 82.408 -8.901 3.290 653 HD13 ILE 86 HD13 ILE 86 81.230 -10.213 3.283 654 H1U RCY 87 H1U RCY 87 76.033 1.167 1.999 655 H1S RCY 87 H1S RCY 87 78.360 -2.190 -0.494 656 HB1 RCY 87 HB1 RCY 87 78.811 -4.691 -1.738 657 HB2 RCY 87 HB2 RCY 87 79.926 -3.344 -1.505 658 HA RCY 87 HA RCY 87 81.195 -5.344 -2.102 659 HN1 RCY 87 HN1 RCY 87 79.453 -6.707 -0.191 Start of MODEL 78 1 HA MET 1 HA MET 1 62.505 6.891 14.273 2 HB2 MET 1 HB2 MET 1 64.297 6.863 16.718 3 HB3 MET 1 HB1 MET 1 62.549 6.627 16.675 4 HG2 MET 1 HG2 MET 1 64.579 4.803 15.350 5 HG3 MET 1 HG1 MET 1 63.771 4.472 16.883 6 HE1 MET 1 HE1 MET 1 63.837 2.481 14.943 7 HE2 MET 1 HE2 MET 1 63.655 3.260 13.372 8 HE3 MET 1 HE3 MET 1 62.412 2.152 13.949 9 H ASN 2 HN ASN 2 61.539 8.868 14.413 10 HA ASN 2 HA ASN 2 62.794 11.085 15.841 11 HB2 ASN 2 HB2 ASN 2 62.694 11.017 12.825 12 HB3 ASN 2 HB1 ASN 2 62.675 12.547 13.703 13 HD21 ASN 2 HD21 ASN 2 64.747 10.169 12.410 14 HD22 ASN 2 HD22 ASN 2 66.167 10.619 13.225 15 H LEU 3 HN LEU 3 60.515 10.878 13.084 16 HA LEU 3 HA LEU 3 58.259 11.449 14.893 17 HG LEU 3 HG LEU 3 56.471 13.040 13.576 18 HB2 LEU 3 HB2 LEU 3 59.367 13.669 14.211 19 HB3 LEU 3 HB1 LEU 3 58.794 13.322 12.581 20 HD11 LEU 3 HD11 LEU 3 56.361 14.455 15.810 21 HD12 LEU 3 HD12 LEU 3 58.033 13.918 15.980 22 HD13 LEU 3 HD13 LEU 3 56.733 12.731 15.865 23 HD21 LEU 3 HD21 LEU 3 56.936 15.067 12.390 24 HD22 LEU 3 HD22 LEU 3 57.942 15.684 13.702 25 HD23 LEU 3 HD23 LEU 3 56.195 15.562 13.912 26 H GLU 4 HN GLU 4 59.580 10.284 11.960 27 HA GLU 4 HA GLU 4 57.429 10.184 10.190 28 HB2 GLU 4 HB2 GLU 4 59.437 7.997 10.810 29 HB3 GLU 4 HB1 GLU 4 58.396 8.021 9.387 30 HG2 GLU 4 HG2 GLU 4 60.234 10.322 10.062 31 HG3 GLU 4 HG1 GLU 4 60.766 8.956 9.081 32 HA PRO 5 HA PRO 5 54.332 7.823 12.314 33 HB2 PRO 5 HB2 PRO 5 52.932 6.818 10.194 34 HB3 PRO 5 HB1 PRO 5 52.858 8.522 10.684 35 HG2 PRO 5 HG2 PRO 5 54.422 7.261 8.486 36 HG3 PRO 5 HG1 PRO 5 53.537 8.796 8.506 37 HD2 PRO 5 HD2 PRO 5 56.255 8.653 8.795 38 HD3 PRO 5 HD1 PRO 5 55.273 9.942 9.526 39 HA PRO 6 HA PRO 6 56.280 3.714 11.960 40 HB2 PRO 6 HB2 PRO 6 55.906 2.922 14.512 41 HB3 PRO 6 HB1 PRO 6 57.136 4.129 14.084 42 HG2 PRO 6 HG2 PRO 6 54.451 4.526 15.295 43 HG3 PRO 6 HG1 PRO 6 55.972 5.373 15.616 44 HD2 PRO 6 HD2 PRO 6 53.919 6.336 13.982 45 HD3 PRO 6 HD1 PRO 6 55.602 6.904 13.948 46 H LYS 7 HN LYS 7 55.450 1.456 12.269 47 HA LYS 7 HA LYS 7 52.464 1.318 12.449 48 HB2 LYS 7 HB2 LYS 7 54.290 0.133 10.353 49 HB3 LYS 7 HB1 LYS 7 52.682 -0.521 10.659 50 HG2 LYS 7 HG2 LYS 7 51.625 1.537 10.067 51 HG3 LYS 7 HG1 LYS 7 53.157 2.412 10.094 52 HD2 LYS 7 HD2 LYS 7 53.009 0.081 8.256 53 HD3 LYS 7 HD1 LYS 7 52.043 1.489 7.811 54 HE2 LYS 7 HE2 LYS 7 54.494 1.389 6.967 55 HE3 LYS 7 HE1 LYS 7 53.931 2.897 7.686 56 HZ1 LYS 7 HZ1 LYS 7 54.902 2.227 9.787 57 HZ2 LYS 7 HZ2 LYS 7 56.084 2.235 8.566 58 HZ3 LYS 7 HZ3 LYS 7 55.430 0.764 9.109 59 H ALA 8 HN ALA 8 53.827 -1.607 11.541 60 HA ALA 8 HA ALA 8 54.580 -2.473 14.253 61 HB1 ALA 8 HB1 ALA 8 52.840 -4.097 14.513 62 HB2 ALA 8 HB2 ALA 8 52.259 -3.836 12.869 63 HB3 ALA 8 HB3 ALA 8 52.034 -2.586 14.092 64 H GLU 9 HN GLU 9 55.310 -2.434 11.164 65 HA GLU 9 HA GLU 9 56.647 -5.079 11.273 66 HB2 GLU 9 HB2 GLU 9 55.123 -4.199 8.808 67 HB3 GLU 9 HB1 GLU 9 55.888 -5.762 9.102 68 HG2 GLU 9 HG2 GLU 9 54.308 -6.091 11.035 69 HG3 GLU 9 HG1 GLU 9 53.473 -4.620 10.533 70 H1U RCY 10 H1U RCY 10 62.291 1.864 5.281 71 H1S RCY 10 H1S RCY 10 60.693 -1.771 6.491 72 HB1 RCY 10 HB1 RCY 10 60.573 -4.867 8.796 73 HB2 RCY 10 HB2 RCY 10 60.417 -3.553 9.961 74 HA RCY 10 HA RCY 10 58.972 -2.326 8.366 75 HN1 RCY 10 HN1 RCY 10 57.689 -4.978 8.642 76 H ARG 11 HN ARG 11 57.131 -3.860 6.704 77 HA ARG 11 HA ARG 11 58.648 -3.740 4.215 78 HE ARG 11 HE ARG 11 61.107 -7.927 2.319 79 HB2 ARG 11 HB2 ARG 11 59.040 -6.082 5.324 80 HB3 ARG 11 HB1 ARG 11 57.393 -6.417 4.790 81 HG2 ARG 11 HG2 ARG 11 58.026 -5.803 2.476 82 HG3 ARG 11 HG1 ARG 11 59.679 -5.506 3.015 83 HD2 ARG 11 HD2 ARG 11 59.431 -7.973 3.983 84 HD3 ARG 11 HD1 ARG 11 58.222 -8.099 2.705 85 HH11 ARG 11 HH21 ARG 11 57.969 -7.292 1.040 86 HH12 ARG 11 HH22 ARG 11 58.487 -7.336 -0.612 87 HH21 ARG 11 HH11 ARG 11 61.803 -7.987 0.169 88 HH22 ARG 11 HH12 ARG 11 60.658 -7.729 -1.105 89 H SER 12 HN SER 12 57.124 -2.422 3.267 90 HA SER 12 HA SER 12 54.271 -2.810 3.626 91 HG SER 12 HG SER 12 55.034 -0.871 4.214 92 HB2 SER 12 HB2 SER 12 55.909 -1.122 1.724 93 HB3 SER 12 HB1 SER 12 54.148 -1.146 1.692 94 H ALA 13 HN ALA 13 56.657 -4.189 1.576 95 HA ALA 13 HA ALA 13 56.472 -5.861 -0.058 96 HB1 ALA 13 HB1 ALA 13 54.620 -7.261 0.010 97 HB2 ALA 13 HB2 ALA 13 53.487 -5.929 0.236 98 HB3 ALA 13 HB3 ALA 13 54.482 -6.479 1.584 99 H THR 14 HN THR 14 56.623 -3.277 -0.971 100 HA THR 14 HA THR 14 55.461 -3.476 -3.588 101 HB THR 14 HB THR 14 53.378 -2.867 -2.481 102 HG1 THR 14 HG1 THR 14 54.554 -1.467 -4.361 103 HG21 THR 14 HG21 THR 14 54.603 -1.818 -0.497 104 HG22 THR 14 HG22 THR 14 53.156 -0.974 -1.048 105 HG23 THR 14 HG23 THR 14 54.753 -0.366 -1.486 106 H ARG 15 HN ARG 15 58.053 -3.038 -2.763 107 HA ARG 15 HA ARG 15 58.772 -0.670 -4.198 108 HE ARG 15 HE ARG 15 57.719 -0.890 1.626 109 HB2 ARG 15 HB2 ARG 15 59.837 0.457 -2.083 110 HB3 ARG 15 HB1 ARG 15 58.125 0.710 -2.417 111 HG2 ARG 15 HG2 ARG 15 57.441 -0.774 -0.737 112 HG3 ARG 15 HG1 ARG 15 58.996 -1.607 -0.707 113 HD2 ARG 15 HD2 ARG 15 60.050 0.155 0.465 114 HD3 ARG 15 HD1 ARG 15 58.767 1.299 0.072 115 HH11 ARG 15 HH21 ARG 15 59.629 1.978 1.752 116 HH12 ARG 15 HH22 ARG 15 59.255 2.314 3.409 117 HH21 ARG 15 HH11 ARG 15 57.219 -0.467 3.789 118 HH22 ARG 15 HH12 ARG 15 57.890 0.931 4.563 119 H VAL 16 HN VAL 16 61.255 -0.115 -2.953 120 HA VAL 16 HA VAL 16 63.447 -0.946 -2.960 121 HB VAL 16 HB VAL 16 62.161 -3.449 -1.839 122 HG11 VAL 16 HG11 VAL 16 64.340 -3.628 -0.656 123 HG12 VAL 16 HG12 VAL 16 64.902 -2.191 -1.510 124 HG13 VAL 16 HG13 VAL 16 64.537 -3.664 -2.408 125 HG21 VAL 16 HG21 VAL 16 62.875 -0.812 -0.534 126 HG22 VAL 16 HG22 VAL 16 62.663 -2.302 0.385 127 HG23 VAL 16 HG23 VAL 16 61.312 -1.629 -0.529 128 H MET 17 HN MET 17 61.914 -4.111 -3.459 129 HA MET 17 HA MET 17 63.350 -4.284 -6.071 130 HB2 MET 17 HB2 MET 17 62.033 -6.562 -4.579 131 HB3 MET 17 HB1 MET 17 63.287 -6.651 -5.818 132 HG2 MET 17 HG2 MET 17 64.708 -5.243 -4.148 133 HG3 MET 17 HG1 MET 17 63.535 -5.782 -2.946 134 HE1 MET 17 HE1 MET 17 66.312 -6.084 -2.665 135 HE2 MET 17 HE2 MET 17 67.045 -6.730 -4.132 136 HE3 MET 17 HE3 MET 17 66.964 -7.727 -2.682 137 H GLY 18 HN GLY 18 60.185 -4.562 -4.549 138 HA2 GLY 18 HA2 GLY 18 58.037 -4.694 -5.475 139 HA3 GLY 18 HA1 GLY 18 58.709 -3.714 -6.776 140 H GLY 19 HN GLY 19 59.108 -7.123 -5.713 141 HA2 GLY 19 HA2 GLY 19 58.226 -8.977 -7.051 142 HA3 GLY 19 HA1 GLY 19 58.335 -7.945 -8.476 143 HA PRO 20 HA PRO 20 61.851 -10.684 -9.326 144 HB2 PRO 20 HB2 PRO 20 62.296 -8.402 -11.226 145 HB3 PRO 20 HB1 PRO 20 62.418 -10.149 -11.517 146 HG2 PRO 20 HG2 PRO 20 60.288 -8.762 -12.301 147 HG3 PRO 20 HG1 PRO 20 60.133 -10.411 -11.673 148 HD2 PRO 20 HD2 PRO 20 59.367 -7.838 -10.390 149 HD3 PRO 20 HD1 PRO 20 58.715 -9.470 -10.125 150 H1U RCY 21 H1U RCY 21 69.130 -3.682 -6.606 151 H1S RCY 21 H1S RCY 21 67.375 -7.239 -7.636 152 HB1 RCY 21 HB1 RCY 21 66.177 -10.663 -7.353 153 HB2 RCY 21 HB2 RCY 21 64.843 -9.902 -6.487 154 HA RCY 21 HA RCY 21 65.193 -7.888 -8.039 155 HN1 RCY 21 HN1 RCY 21 64.263 -10.328 -9.483 156 H THR 22 HN THR 22 66.261 -7.092 -9.876 157 HA THR 22 HA THR 22 68.519 -8.785 -10.879 158 HB THR 22 HB THR 22 68.046 -8.261 -13.088 159 HG1 THR 22 HG1 THR 22 68.081 -6.002 -12.720 160 HG21 THR 22 HG21 THR 22 66.090 -9.455 -11.982 161 HG22 THR 22 HG22 THR 22 65.710 -8.604 -13.479 162 HG23 THR 22 HG23 THR 22 65.279 -7.890 -11.925 163 HA PRO 23 HA PRO 23 71.481 -5.691 -9.813 164 HB2 PRO 23 HB2 PRO 23 71.931 -5.481 -12.779 165 HB3 PRO 23 HB1 PRO 23 73.123 -5.601 -11.469 166 HG2 PRO 23 HG2 PRO 23 72.430 -7.710 -12.979 167 HG3 PRO 23 HG1 PRO 23 72.881 -7.866 -11.274 168 HD2 PRO 23 HD2 PRO 23 70.242 -8.233 -12.526 169 HD3 PRO 23 HD1 PRO 23 70.802 -8.741 -10.918 170 H ARG 24 HN ARG 24 70.731 -3.694 -9.193 171 HA ARG 24 HA ARG 24 69.606 -1.628 -9.303 172 HE ARG 24 HE ARG 24 68.707 2.197 -12.025 173 HB2 ARG 24 HB2 ARG 24 71.665 -1.183 -10.653 174 HB3 ARG 24 HB1 ARG 24 70.775 -1.648 -12.101 175 HG2 ARG 24 HG2 ARG 24 69.145 0.223 -10.738 176 HG3 ARG 24 HG1 ARG 24 70.778 0.891 -10.733 177 HD2 ARG 24 HD2 ARG 24 70.940 0.699 -13.133 178 HD3 ARG 24 HD1 ARG 24 69.426 -0.201 -13.214 179 HH11 ARG 24 HH21 ARG 24 70.385 1.218 -14.874 180 HH12 ARG 24 HH22 ARG 24 69.882 2.590 -15.803 181 HH21 ARG 24 HH11 ARG 24 68.041 3.995 -13.221 182 HH22 ARG 24 HH12 ARG 24 68.555 4.163 -14.867 183 H LYS 25 HN LYS 25 67.955 -3.841 -9.871 184 HA LYS 25 HA LYS 25 65.840 -4.275 -10.706 185 HB2 LYS 25 HB2 LYS 25 66.026 -1.448 -10.572 186 HB3 LYS 25 HB1 LYS 25 65.301 -1.814 -12.136 187 HG2 LYS 25 HG2 LYS 25 64.344 -2.813 -9.436 188 HG3 LYS 25 HG1 LYS 25 63.538 -1.621 -10.456 189 HD2 LYS 25 HD2 LYS 25 63.601 -3.504 -12.270 190 HD3 LYS 25 HD1 LYS 25 63.842 -4.581 -10.894 191 HE2 LYS 25 HE2 LYS 25 61.503 -4.539 -11.114 192 HE3 LYS 25 HE1 LYS 25 61.800 -3.334 -9.860 193 HZ1 LYS 25 HZ1 LYS 25 60.497 -2.952 -12.260 194 HZ2 LYS 25 HZ2 LYS 25 61.995 -2.169 -12.435 195 HZ3 LYS 25 HZ3 LYS 25 60.963 -1.758 -11.149 196 H GLY 26 HN GLY 26 68.479 -3.461 -12.656 197 HA2 GLY 26 HA2 GLY 26 67.893 -5.249 -14.715 198 HA3 GLY 26 HA1 GLY 26 67.206 -3.716 -15.247 199 HA PRO 27 HA PRO 27 71.024 -2.817 -17.333 200 HB2 PRO 27 HB2 PRO 27 70.452 -0.087 -16.223 201 HB3 PRO 27 HB1 PRO 27 70.941 -0.552 -17.865 202 HG2 PRO 27 HG2 PRO 27 68.401 0.026 -17.254 203 HG3 PRO 27 HG1 PRO 27 68.823 -1.205 -18.454 204 HD2 PRO 27 HD2 PRO 27 67.666 -1.558 -15.755 205 HD3 PRO 27 HD1 PRO 27 67.661 -2.675 -17.138 206 HA PRO 28 HA PRO 28 74.309 -3.163 -14.358 207 HB2 PRO 28 HB2 PRO 28 75.569 -0.943 -15.934 208 HB3 PRO 28 HB1 PRO 28 76.272 -2.482 -15.398 209 HG2 PRO 28 HG2 PRO 28 75.456 -2.089 -17.919 210 HG3 PRO 28 HG1 PRO 28 75.339 -3.664 -17.120 211 HD2 PRO 28 HD2 PRO 28 73.175 -1.792 -17.867 212 HD3 PRO 28 HD1 PRO 28 73.090 -3.533 -17.526 213 H LYS 29 HN LYS 29 75.487 -1.809 -12.716 214 HA LYS 29 HA LYS 29 73.745 0.391 -11.798 215 HB2 LYS 29 HB2 LYS 29 76.230 -0.523 -10.363 216 HB3 LYS 29 HB1 LYS 29 74.737 0.127 -9.692 217 HG2 LYS 29 HG2 LYS 29 74.275 -2.066 -9.258 218 HG3 LYS 29 HG1 LYS 29 73.786 -2.094 -10.952 219 HD2 LYS 29 HD2 LYS 29 75.737 -3.149 -11.643 220 HD3 LYS 29 HD1 LYS 29 76.672 -2.542 -10.275 221 HE2 LYS 29 HE2 LYS 29 75.823 -5.083 -10.389 222 HE3 LYS 29 HE1 LYS 29 75.950 -4.211 -8.862 223 HZ1 LYS 29 HZ1 LYS 29 73.732 -4.071 -8.653 224 HZ2 LYS 29 HZ2 LYS 29 73.725 -5.405 -9.706 225 HZ3 LYS 29 HZ3 LYS 29 73.468 -3.839 -10.313 226 H1U RCY 30 H1U RCY 30 78.989 5.559 -6.760 227 H1S RCY 30 H1S RCY 30 79.367 6.253 -10.807 228 HB1 RCY 30 HB1 RCY 30 78.043 3.192 -10.511 229 HB2 RCY 30 HB2 RCY 30 76.595 3.520 -11.464 230 HA RCY 30 HA RCY 30 77.812 2.334 -13.399 231 HN1 RCY 30 HN1 RCY 30 77.295 0.208 -11.532 232 H LYS 31 HN LYS 31 78.794 0.498 -10.566 233 HA LYS 31 HA LYS 31 80.936 -0.152 -9.819 234 HB2 LYS 31 HB2 LYS 31 81.298 -0.365 -12.822 235 HB3 LYS 31 HB1 LYS 31 82.283 -1.180 -11.608 236 HG2 LYS 31 HG2 LYS 31 80.682 -2.747 -11.169 237 HG3 LYS 31 HG1 LYS 31 79.364 -1.586 -11.332 238 HD2 LYS 31 HD2 LYS 31 79.181 -3.154 -13.160 239 HD3 LYS 31 HD1 LYS 31 79.748 -1.622 -13.826 240 HE2 LYS 31 HE2 LYS 31 81.088 -3.421 -14.766 241 HE3 LYS 31 HE1 LYS 31 82.096 -2.482 -13.665 242 HZ1 LYS 31 HZ1 LYS 31 82.412 -4.813 -13.258 243 HZ2 LYS 31 HZ2 LYS 31 80.742 -5.054 -13.059 244 HZ3 LYS 31 HZ3 LYS 31 81.610 -4.128 -11.930 245 H GLN 32 HN GLN 32 81.805 1.762 -8.928 246 HA GLN 32 HA GLN 32 83.924 3.020 -10.565 247 HB2 GLN 32 HB2 GLN 32 81.756 4.367 -10.803 248 HB3 GLN 32 HB1 GLN 32 81.934 4.757 -9.092 249 HG2 GLN 32 HG2 GLN 32 84.245 5.613 -9.599 250 HG3 GLN 32 HG1 GLN 32 83.899 5.381 -11.313 251 HE21 GLN 32 HE21 GLN 32 82.554 7.052 -8.413 252 HE22 GLN 32 HE22 GLN 32 81.915 8.362 -9.284 253 H ARG 33 HN ARG 33 84.815 1.463 -8.752 254 HA ARG 33 HA ARG 33 84.766 1.978 -6.030 255 HE ARG 33 HE ARG 33 89.050 0.804 -7.255 256 HB2 ARG 33 HB2 ARG 33 86.108 0.186 -7.203 257 HB3 ARG 33 HB1 ARG 33 87.311 1.417 -7.578 258 HG2 ARG 33 HG2 ARG 33 86.469 1.311 -4.741 259 HG3 ARG 33 HG1 ARG 33 87.363 -0.098 -5.311 260 HD2 ARG 33 HD2 ARG 33 88.259 2.790 -5.544 261 HD3 ARG 33 HD1 ARG 33 88.918 1.587 -4.436 262 HH11 ARG 33 HH21 ARG 33 90.520 2.418 -4.587 263 HH12 ARG 33 HH22 ARG 33 92.129 2.266 -5.210 264 HH21 ARG 33 HH11 ARG 33 91.143 0.596 -8.084 265 HH22 ARG 33 HH12 ARG 33 92.482 1.235 -7.190 266 H GLN 34 HN GLN 34 84.813 3.987 -5.143 267 HA GLN 34 HA GLN 34 87.182 5.540 -5.036 268 HB2 GLN 34 HB2 GLN 34 85.631 5.967 -7.427 269 HB3 GLN 34 HB1 GLN 34 85.546 7.424 -6.442 270 HG2 GLN 34 HG2 GLN 34 87.967 7.547 -6.313 271 HG3 GLN 34 HG1 GLN 34 88.128 5.995 -7.136 272 HE21 GLN 34 HE21 GLN 34 88.076 9.351 -7.664 273 HE22 GLN 34 HE22 GLN 34 87.796 9.331 -9.338 274 H THR 35 HN THR 35 86.096 5.068 -2.881 275 HA THR 35 HA THR 35 84.414 7.404 -2.138 276 HB THR 35 HB THR 35 82.647 5.909 -2.291 277 HG1 THR 35 HG1 THR 35 82.195 5.245 -0.216 278 HG21 THR 35 HG21 THR 35 83.897 4.004 -3.099 279 HG22 THR 35 HG22 THR 35 82.909 3.467 -1.740 280 HG23 THR 35 HG23 THR 35 84.634 3.758 -1.515 281 H ARG 36 HN ARG 36 86.665 7.908 -1.292 282 HA ARG 36 HA ARG 36 87.484 6.343 1.073 283 HE ARG 36 HE ARG 36 90.000 9.378 -3.384 284 HB2 ARG 36 HB2 ARG 36 88.808 8.943 0.458 285 HB3 ARG 36 HB1 ARG 36 89.521 7.391 0.886 286 HG2 ARG 36 HG2 ARG 36 90.115 7.551 -1.361 287 HG3 ARG 36 HG1 ARG 36 88.602 6.650 -1.472 288 HD2 ARG 36 HD2 ARG 36 87.921 8.274 -2.892 289 HD3 ARG 36 HD1 ARG 36 87.752 9.285 -1.457 290 HH11 ARG 36 HH21 ARG 36 88.504 10.362 -0.437 291 HH12 ARG 36 HH22 ARG 36 89.485 11.778 -0.257 292 HH21 ARG 36 HH11 ARG 36 91.290 11.222 -3.165 293 HH22 ARG 36 HH12 ARG 36 91.062 12.265 -1.801 294 H GLN 37 HN GLN 37 85.062 7.167 1.695 295 HA GLN 37 HA GLN 37 83.864 8.332 3.337 296 HB2 GLN 37 HB2 GLN 37 86.170 8.032 4.540 297 HB3 GLN 37 HB1 GLN 37 86.393 9.742 4.171 298 HG2 GLN 37 HG2 GLN 37 83.981 9.992 5.180 299 HG3 GLN 37 HG1 GLN 37 84.343 8.443 5.942 300 HE21 GLN 37 HE21 GLN 37 86.568 11.188 5.263 301 HE22 GLN 37 HE22 GLN 37 87.007 11.430 6.885 302 H1U RCY 38 H1U RCY 38 81.810 7.427 -2.358 303 H1S RCY 38 H1S RCY 38 83.346 11.121 -1.821 304 HB1 RCY 38 HB1 RCY 38 81.288 12.754 1.719 305 HB2 RCY 38 HB2 RCY 38 81.759 11.084 1.421 306 HA RCY 38 HA RCY 38 84.112 12.661 1.981 307 HN1 RCY 38 HN1 RCY 38 83.073 10.538 3.770 308 H LYS 39 HN LYS 39 81.186 12.035 3.943 309 HA LYS 39 HA LYS 39 81.790 14.547 5.463 310 HB2 LYS 39 HB2 LYS 39 79.116 13.195 4.990 311 HB3 LYS 39 HB1 LYS 39 79.371 14.715 5.846 312 HG2 LYS 39 HG2 LYS 39 79.648 15.902 3.919 313 HG3 LYS 39 HG1 LYS 39 80.556 14.605 3.139 314 HD2 LYS 39 HD2 LYS 39 78.455 14.861 1.961 315 HD3 LYS 39 HD1 LYS 39 78.392 13.349 2.868 316 HE2 LYS 39 HE2 LYS 39 77.354 15.918 4.059 317 HE3 LYS 39 HE1 LYS 39 76.339 14.924 3.013 318 HZ1 LYS 39 HZ1 LYS 39 75.868 13.986 5.010 319 HZ2 LYS 39 HZ2 LYS 39 77.383 14.355 5.683 320 HZ3 LYS 39 HZ3 LYS 39 77.224 13.049 4.608 321 H SER 40 HN SER 40 80.896 11.152 5.661 322 HA SER 40 HA SER 40 81.066 9.659 7.464 323 HG SER 40 HG SER 40 84.212 11.122 8.097 324 HB2 SER 40 HB2 SER 40 82.144 11.807 9.255 325 HB3 SER 40 HB1 SER 40 82.613 10.114 9.133 326 H LYS 41 HN LYS 41 78.615 10.722 7.061 327 HA LYS 41 HA LYS 41 77.640 11.382 9.818 328 HB2 LYS 41 HB2 LYS 41 76.429 12.219 7.165 329 HB3 LYS 41 HB1 LYS 41 75.818 12.642 8.763 330 HG2 LYS 41 HG2 LYS 41 78.664 13.298 8.067 331 HG3 LYS 41 HG1 LYS 41 77.370 14.335 7.466 332 HD2 LYS 41 HD2 LYS 41 77.669 13.564 10.380 333 HD3 LYS 41 HD1 LYS 41 78.327 15.050 9.694 334 HE2 LYS 41 HE2 LYS 41 75.776 15.174 8.763 335 HE3 LYS 41 HE1 LYS 41 75.516 14.326 10.288 336 HZ1 LYS 41 HZ1 LYS 41 75.399 16.612 10.770 337 HZ2 LYS 41 HZ2 LYS 41 76.795 16.964 9.868 338 HZ3 LYS 41 HZ3 LYS 41 76.919 16.109 11.330 339 HA PRO 42 HA PRO 42 75.669 7.449 8.462 340 HB2 PRO 42 HB2 PRO 42 76.139 6.039 10.756 341 HB3 PRO 42 HB1 PRO 42 77.313 6.165 9.435 342 HG2 PRO 42 HG2 PRO 42 77.273 7.510 12.062 343 HG3 PRO 42 HG1 PRO 42 78.646 7.045 11.048 344 HD2 PRO 42 HD2 PRO 42 77.568 9.640 11.289 345 HD3 PRO 42 HD1 PRO 42 78.714 9.093 10.048 346 HA PRO 43 HA PRO 43 71.923 8.349 10.737 347 HB2 PRO 43 HB2 PRO 43 70.342 6.356 9.878 348 HB3 PRO 43 HB1 PRO 43 70.946 7.595 8.758 349 HG2 PRO 43 HG2 PRO 43 71.915 4.811 9.178 350 HG3 PRO 43 HG1 PRO 43 71.716 5.722 7.672 351 HD2 PRO 43 HD2 PRO 43 74.136 5.398 9.011 352 HD3 PRO 43 HD1 PRO 43 73.791 6.695 7.846 353 H LYS 44 HN LYS 44 70.520 7.541 12.450 354 HA LYS 44 HA LYS 44 70.161 6.462 14.498 355 HB2 LYS 44 HB2 LYS 44 69.470 4.635 13.033 356 HB3 LYS 44 HB1 LYS 44 71.145 4.113 12.851 357 HG2 LYS 44 HG2 LYS 44 71.287 3.365 15.076 358 HG3 LYS 44 HG1 LYS 44 69.904 4.332 15.587 359 HD2 LYS 44 HD2 LYS 44 68.361 2.891 14.467 360 HD3 LYS 44 HD1 LYS 44 69.656 2.067 13.598 361 HE2 LYS 44 HE2 LYS 44 70.471 1.046 15.616 362 HE3 LYS 44 HE1 LYS 44 69.414 2.043 16.615 363 HZ1 LYS 44 HZ1 LYS 44 68.433 -0.099 16.393 364 HZ2 LYS 44 HZ2 LYS 44 68.596 -0.071 14.702 365 HZ3 LYS 44 HZ3 LYS 44 67.508 0.983 15.470 366 H LYS 45 HN LYS 45 73.231 6.871 13.274 367 HA LYS 45 HA LYS 45 74.568 5.571 15.595 368 HB2 LYS 45 HB2 LYS 45 75.455 6.579 12.916 369 HB3 LYS 45 HB1 LYS 45 76.638 6.509 14.221 370 HG2 LYS 45 HG2 LYS 45 74.897 4.118 13.740 371 HG3 LYS 45 HG1 LYS 45 76.249 4.410 12.645 372 HD2 LYS 45 HD2 LYS 45 76.537 4.361 15.659 373 HD3 LYS 45 HD1 LYS 45 76.800 2.946 14.639 374 HE2 LYS 45 HE2 LYS 45 78.317 4.784 13.327 375 HE3 LYS 45 HE1 LYS 45 78.479 5.361 14.986 376 HZ1 LYS 45 HZ1 LYS 45 80.179 3.799 14.695 377 HZ2 LYS 45 HZ2 LYS 45 79.161 2.694 13.902 378 HZ3 LYS 45 HZ3 LYS 45 78.983 2.971 15.568 379 H GLY 46 HN GLY 46 75.775 8.454 13.992 380 HA2 GLY 46 HA2 GLY 46 74.830 10.506 15.623 381 HA3 GLY 46 HA1 GLY 46 76.162 9.791 16.533 382 H VAL 47 HN VAL 47 78.268 10.213 15.879 383 HA VAL 47 HA VAL 47 78.746 11.474 13.250 384 HB VAL 47 HB VAL 47 80.043 13.342 14.426 385 HG11 VAL 47 HG11 VAL 47 77.044 13.307 14.872 386 HG12 VAL 47 HG12 VAL 47 77.805 13.605 13.309 387 HG13 VAL 47 HG13 VAL 47 78.064 14.728 14.645 388 HG21 VAL 47 HG21 VAL 47 79.921 12.102 16.665 389 HG22 VAL 47 HG22 VAL 47 78.239 12.626 16.748 390 HG23 VAL 47 HG23 VAL 47 79.534 13.822 16.712 391 H GLN 48 HN GLN 48 79.528 8.968 14.623 392 HA GLN 48 HA GLN 48 82.173 9.039 15.628 393 HB2 GLN 48 HB2 GLN 48 80.589 6.953 14.133 394 HB3 GLN 48 HB1 GLN 48 82.274 6.658 14.561 395 HG2 GLN 48 HG2 GLN 48 80.694 5.806 16.290 396 HG3 GLN 48 HG1 GLN 48 81.778 7.045 16.924 397 HE21 GLN 48 HE21 GLN 48 80.833 9.344 16.943 398 HE22 GLN 48 HE22 GLN 48 79.167 9.510 17.227 399 H GLY 49 HN GLY 49 83.775 7.502 13.962 400 HA2 GLY 49 HA2 GLY 49 83.970 9.027 11.412 401 HA3 GLY 49 HA1 GLY 49 85.369 8.989 12.486 402 H1U RCY 50 H1U RCY 50 83.790 -0.920 8.609 403 H1S RCY 50 H1S RCY 50 82.873 1.556 11.644 404 HB1 RCY 50 HB1 RCY 50 83.295 3.472 9.404 405 HB2 RCY 50 HB2 RCY 50 82.389 4.981 9.504 406 HA RCY 50 HA RCY 50 84.892 4.474 11.129 407 HN1 RCY 50 HN1 RCY 50 83.062 6.707 10.968 408 H GLY 51 HN GLY 51 85.516 7.179 9.608 409 HA2 GLY 51 HA2 GLY 51 86.476 5.877 7.092 410 HA3 GLY 51 HA1 GLY 51 86.091 7.591 7.220 411 H ASP 52 HN ASP 52 87.894 8.810 7.230 412 HA ASP 52 HA ASP 52 90.032 9.576 7.809 413 HB2 ASP 52 HB2 ASP 52 90.635 9.195 9.967 414 HB3 ASP 52 HB1 ASP 52 89.170 8.226 10.082 415 H ASP 53 HN ASP 53 89.254 6.586 6.570 416 HA ASP 53 HA ASP 53 91.333 6.298 4.774 417 HB2 ASP 53 HB2 ASP 53 92.653 4.403 6.015 418 HB3 ASP 53 HB1 ASP 53 93.060 6.082 6.361 419 H ILE 54 HN ILE 54 88.508 5.544 5.710 420 HA ILE 54 HA ILE 54 88.479 2.888 4.397 421 HB ILE 54 HB ILE 54 87.353 3.459 7.162 422 HG12 ILE 54 HG12 ILE 54 89.444 1.534 6.102 423 HG13 ILE 54 HG11 ILE 54 89.708 2.881 7.211 424 HG21 ILE 54 HG21 ILE 54 87.131 0.842 5.680 425 HG22 ILE 54 HG22 ILE 54 85.895 2.088 5.509 426 HG23 ILE 54 HG23 ILE 54 86.227 1.387 7.093 427 HD11 ILE 54 HD11 ILE 54 88.030 1.709 8.768 428 HD12 ILE 54 HD12 ILE 54 89.618 0.960 8.606 429 HD13 ILE 54 HD13 ILE 54 88.237 0.295 7.734 430 HA PRO 55 HA PRO 55 84.903 4.869 2.586 431 HB2 PRO 55 HB2 PRO 55 83.599 2.618 1.651 432 HB3 PRO 55 HB1 PRO 55 84.975 3.378 0.831 433 HG2 PRO 55 HG2 PRO 55 84.914 0.977 2.579 434 HG3 PRO 55 HG1 PRO 55 85.869 1.291 1.121 435 HD2 PRO 55 HD2 PRO 55 86.924 1.467 3.635 436 HD3 PRO 55 HD1 PRO 55 87.506 2.459 2.278 437 H GLY 56 HN GLY 56 84.861 4.171 5.460 438 HA2 GLY 56 HA2 GLY 56 82.571 2.775 6.296 439 HA3 GLY 56 HA1 GLY 56 83.270 4.131 7.181 440 H MET 57 HN MET 57 82.722 5.640 4.448 441 HA MET 57 HA MET 57 80.542 7.165 5.265 442 HB2 MET 57 HB2 MET 57 80.104 7.285 2.607 443 HB3 MET 57 HB1 MET 57 81.449 8.119 3.378 444 HG2 MET 57 HG2 MET 57 82.331 6.893 1.485 445 HG3 MET 57 HG1 MET 57 82.863 6.073 2.953 446 HE1 MET 57 HE1 MET 57 80.401 6.523 0.326 447 HE2 MET 57 HE2 MET 57 79.077 5.729 1.175 448 HE3 MET 57 HE3 MET 57 79.850 4.924 -0.189 449 H GLU 58 HN GLU 58 78.385 6.792 5.482 450 HA GLU 58 HA GLU 58 77.339 4.201 4.414 451 HB2 GLU 58 HB2 GLU 58 77.354 4.988 6.990 452 HB3 GLU 58 HB1 GLU 58 75.824 5.709 6.499 453 HG2 GLU 58 HG2 GLU 58 75.137 3.489 5.561 454 HG3 GLU 58 HG1 GLU 58 76.620 2.797 6.220 455 H GLY 59 HN GLY 59 75.553 7.103 5.466 456 HA2 GLY 59 HA2 GLY 59 74.899 8.229 3.004 457 HA3 GLY 59 HA1 GLY 59 73.769 6.888 3.194 458 H1U RCY 60 H1U RCY 60 72.529 6.201 6.163 459 H1S RCY 60 H1S RCY 60 73.918 9.708 3.429 460 HB1 RCY 60 HB1 RCY 60 71.088 11.818 5.242 461 HB2 RCY 60 HB2 RCY 60 71.146 11.302 3.556 462 HA RCY 60 HA RCY 60 71.744 9.636 6.015 463 HN1 RCY 60 HN1 RCY 60 72.124 8.633 3.233 464 H GLY 61 HN GLY 61 70.555 7.344 4.949 465 HA2 GLY 61 HA2 GLY 61 68.257 6.622 5.323 466 HA3 GLY 61 HA1 GLY 61 67.709 8.218 4.806 467 H THR 62 HN THR 62 69.870 7.908 2.576 468 HA THR 62 HA THR 62 68.007 6.633 0.657 469 HB THR 62 HB THR 62 68.770 8.599 -0.306 470 HG1 THR 62 HG1 THR 62 69.495 7.515 -1.939 471 HG21 THR 62 HG21 THR 62 70.243 9.325 1.444 472 HG22 THR 62 HG22 THR 62 71.180 9.349 -0.050 473 HG23 THR 62 HG23 THR 62 71.388 8.029 1.100 474 H ASP 63 HN ASP 63 71.377 6.309 1.780 475 HA ASP 63 HA ASP 63 71.990 4.072 0.082 476 HB2 ASP 63 HB2 ASP 63 73.669 5.532 1.309 477 HB3 ASP 63 HB1 ASP 63 73.229 4.664 2.780 478 H ILE 64 HN ILE 64 69.654 3.213 0.713 479 HA ILE 64 HA ILE 64 70.052 0.808 2.250 480 HB ILE 64 HB ILE 64 69.709 2.843 3.934 481 HG12 ILE 64 HG12 ILE 64 68.120 0.277 4.233 482 HG13 ILE 64 HG11 ILE 64 69.865 0.386 4.468 483 HG21 ILE 64 HG21 ILE 64 67.550 3.428 2.645 484 HG22 ILE 64 HG22 ILE 64 67.448 3.376 4.405 485 HG23 ILE 64 HG23 ILE 64 66.844 2.025 3.447 486 HD11 ILE 64 HD11 ILE 64 68.619 0.567 6.615 487 HD12 ILE 64 HD12 ILE 64 67.809 2.007 5.998 488 HD13 ILE 64 HD13 ILE 64 69.552 2.021 6.262 489 H THR 65 HN THR 65 68.418 2.778 0.131 490 HA THR 65 HA THR 65 66.546 0.634 -0.585 491 HB THR 65 HB THR 65 65.580 3.362 0.336 492 HG1 THR 65 HG1 THR 65 65.105 2.304 2.064 493 HG21 THR 65 HG21 THR 65 64.326 2.856 -1.625 494 HG22 THR 65 HG22 THR 65 63.308 2.355 -0.275 495 HG23 THR 65 HG23 THR 65 64.206 1.150 -1.197 496 H VAL 66 HN VAL 66 68.113 3.682 -1.102 497 HA VAL 66 HA VAL 66 67.238 3.735 -3.950 498 HB VAL 66 HB VAL 66 68.886 5.829 -2.520 499 HG11 VAL 66 HG11 VAL 66 67.014 5.918 -4.907 500 HG12 VAL 66 HG12 VAL 66 68.776 5.920 -4.988 501 HG13 VAL 66 HG13 VAL 66 67.925 7.285 -4.264 502 HG21 VAL 66 HG21 VAL 66 66.704 7.011 -2.153 503 HG22 VAL 66 HG22 VAL 66 66.857 5.533 -1.204 504 HG23 VAL 66 HG23 VAL 66 65.868 5.545 -2.664 505 H ILE 67 HN ILE 67 70.197 3.858 -1.916 506 HA ILE 67 HA ILE 67 71.650 2.606 -4.215 507 HB ILE 67 HB ILE 67 72.671 4.913 -2.534 508 HG12 ILE 67 HG12 ILE 67 72.111 4.768 -5.510 509 HG13 ILE 67 HG11 ILE 67 70.991 5.464 -4.338 510 HG21 ILE 67 HG21 ILE 67 74.594 4.772 -4.187 511 HG22 ILE 67 HG22 ILE 67 73.946 3.211 -4.690 512 HG23 ILE 67 HG23 ILE 67 74.505 3.442 -3.033 513 HD11 ILE 67 HD11 ILE 67 72.476 7.165 -5.447 514 HD12 ILE 67 HD12 ILE 67 73.859 6.381 -4.683 515 HD13 ILE 67 HD13 ILE 67 72.616 7.140 -3.689 516 H1U RCY 68 H1U RCY 68 73.616 -1.473 5.567 517 H1S RCY 68 H1S RCY 68 70.784 -1.946 2.198 518 HB1 RCY 68 HB1 RCY 68 72.389 -2.064 -0.900 519 HB2 RCY 68 HB2 RCY 68 71.237 -1.358 -2.033 520 HA RCY 68 HA RCY 68 72.896 0.524 -0.411 521 HN1 RCY 68 HN1 RCY 68 71.608 0.591 -3.082 522 HA PRO 69 HA PRO 69 76.904 -0.483 -1.945 523 HB2 PRO 69 HB2 PRO 69 77.563 -2.567 -0.172 524 HB3 PRO 69 HB1 PRO 69 77.830 -0.838 0.109 525 HG2 PRO 69 HG2 PRO 69 75.688 -2.609 1.114 526 HG3 PRO 69 HG1 PRO 69 76.430 -1.187 1.864 527 HD2 PRO 69 HD2 PRO 69 73.938 -1.125 0.760 528 HD3 PRO 69 HD1 PRO 69 75.010 0.294 0.781 529 H TRP 70 HN TRP 70 74.332 -2.657 -2.049 530 HA TRP 70 HA TRP 70 75.795 -4.921 -3.182 531 HD1 TRP 70 HD1 TRP 70 74.402 -6.698 -5.113 532 HE1 TRP 70 HE1 TRP 70 72.588 -6.967 -6.922 533 HE3 TRP 70 HE3 TRP 70 70.754 -3.711 -3.153 534 HZ2 TRP 70 HZ2 TRP 70 69.934 -6.037 -7.468 535 HZ3 TRP 70 HZ3 TRP 70 68.599 -3.420 -4.334 536 HH2 TRP 70 HH2 TRP 70 68.182 -4.576 -6.486 537 HB2 TRP 70 HB2 TRP 70 73.886 -5.842 -2.350 538 HB3 TRP 70 HB1 TRP 70 73.032 -4.303 -2.384 539 H GLU 71 HN GLU 71 74.253 -2.016 -4.374 540 HA GLU 71 HA GLU 71 74.115 -2.979 -7.136 541 HB2 GLU 71 HB2 GLU 71 73.716 -0.269 -5.852 542 HB3 GLU 71 HB1 GLU 71 73.617 -0.519 -7.596 543 HG2 GLU 71 HG2 GLU 71 71.856 -2.229 -7.236 544 HG3 GLU 71 HG1 GLU 71 71.930 -1.921 -5.500 545 H ALA 72 HN ALA 72 76.300 -0.995 -5.193 546 HA ALA 72 HA ALA 72 77.949 -0.112 -7.389 547 HB1 ALA 72 HB1 ALA 72 77.947 0.919 -5.094 548 HB2 ALA 72 HB2 ALA 72 79.561 0.514 -5.677 549 HB3 ALA 72 HB3 ALA 72 78.765 -0.524 -4.495 550 H1U RCY 73 H1U RCY 73 77.283 -1.396 -2.598 551 H1S RCY 73 H1S RCY 73 80.614 -0.095 -4.469 552 HB1 RCY 73 HB1 RCY 73 83.024 -2.636 -6.989 553 HB2 RCY 73 HB2 RCY 73 82.760 -3.694 -5.604 554 HA RCY 73 HA RCY 73 80.979 -3.359 -7.686 555 HN1 RCY 73 HN1 RCY 73 80.491 -1.105 -6.019 556 H ASN 74 HN ASN 74 79.006 -4.595 -7.268 557 HA ASN 74 HA ASN 74 77.916 -5.643 -5.033 558 HB2 ASN 74 HB2 ASN 74 77.658 -6.312 -7.587 559 HB3 ASN 74 HB1 ASN 74 78.672 -7.671 -7.105 560 HD21 ASN 74 HD21 ASN 74 75.903 -7.998 -7.875 561 HD22 ASN 74 HD22 ASN 74 75.044 -8.525 -6.509 562 H HIS 75 HN HIS 75 81.104 -6.592 -6.261 563 HA HIS 75 HA HIS 75 82.748 -7.965 -5.285 564 HD1 HIS 75 HD1 HIS 75 81.900 -8.092 -0.766 565 HD2 HIS 75 HD2 HIS 75 84.857 -8.607 -3.662 566 HE1 HIS 75 HE1 HIS 75 83.626 -9.647 0.243 567 HE2 HIS 75 HE2 HIS 75 85.432 -9.969 -1.510 568 HB2 HIS 75 HB2 HIS 75 82.833 -6.224 -3.611 569 HB3 HIS 75 HB1 HIS 75 81.369 -6.825 -2.835 570 H1U RCY 76 H1U RCY 76 75.798 -5.139 -0.930 571 H1S RCY 76 H1S RCY 76 78.867 -7.684 -1.686 572 HB1 RCY 76 HB1 RCY 76 77.616 -11.470 -3.720 573 HB2 RCY 76 HB2 RCY 76 77.510 -9.833 -4.368 574 HA RCY 76 HA RCY 76 80.083 -11.416 -4.084 575 HN1 RCY 76 HN1 RCY 76 79.673 -8.805 -5.487 576 H GLU 77 HN GLU 77 77.676 -10.052 -6.361 577 HA GLU 77 HA GLU 77 77.637 -12.521 -7.897 578 HB2 GLU 77 HB2 GLU 77 75.630 -11.161 -7.829 579 HB3 GLU 77 HB1 GLU 77 76.501 -9.766 -8.462 580 HG2 GLU 77 HG2 GLU 77 75.134 -11.013 -10.188 581 HG3 GLU 77 HG1 GLU 77 76.843 -10.851 -10.590 582 H LEU 78 HN LEU 78 79.687 -9.809 -7.828 583 HA LEU 78 HA LEU 78 80.926 -10.694 -10.389 584 HG LEU 78 HG LEU 78 80.911 -7.596 -12.180 585 HB2 LEU 78 HB2 LEU 78 79.470 -8.424 -10.318 586 HB3 LEU 78 HB1 LEU 78 80.996 -7.772 -9.742 587 HD11 LEU 78 HD11 LEU 78 82.748 -9.855 -11.328 588 HD12 LEU 78 HD12 LEU 78 83.082 -8.141 -11.085 589 HD13 LEU 78 HD13 LEU 78 82.974 -8.795 -12.719 590 HD21 LEU 78 HD21 LEU 78 79.421 -9.883 -12.083 591 HD22 LEU 78 HD22 LEU 78 80.978 -10.525 -12.607 592 HD23 LEU 78 HD23 LEU 78 80.179 -9.269 -13.552 593 H HIS 79 HN HIS 79 82.544 -7.993 -9.417 594 HA HIS 79 HA HIS 79 83.975 -8.826 -7.096 595 HD1 HIS 79 HD1 HIS 79 87.513 -8.700 -9.836 596 HD2 HIS 79 HD2 HIS 79 86.479 -9.930 -5.987 597 HE1 HIS 79 HE1 HIS 79 89.589 -8.416 -8.413 598 HE2 HIS 79 HE2 HIS 79 88.973 -9.161 -6.067 599 HB2 HIS 79 HB2 HIS 79 84.830 -10.675 -8.388 600 HB3 HIS 79 HB1 HIS 79 85.193 -9.625 -9.756 601 H GLU 80 HN GLU 80 86.051 -7.509 -6.871 602 HA GLU 80 HA GLU 80 86.637 -5.380 -8.703 603 HB2 GLU 80 HB2 GLU 80 84.312 -4.783 -7.577 604 HB3 GLU 80 HB1 GLU 80 85.329 -4.305 -6.219 605 HG2 GLU 80 HG2 GLU 80 85.259 -2.316 -7.421 606 HG3 GLU 80 HG1 GLU 80 86.710 -3.055 -8.100 607 H LEU 81 HN LEU 81 87.216 -3.514 -6.386 608 HA LEU 81 HA LEU 81 89.764 -4.789 -5.620 609 HG LEU 81 HG LEU 81 90.601 -1.460 -6.704 610 HB2 LEU 81 HB2 LEU 81 88.627 -2.020 -5.523 611 HB3 LEU 81 HB1 LEU 81 89.916 -2.418 -4.393 612 HD11 LEU 81 HD11 LEU 81 92.422 -3.384 -6.844 613 HD12 LEU 81 HD12 LEU 81 91.692 -3.882 -5.318 614 HD13 LEU 81 HD13 LEU 81 92.395 -2.272 -5.475 615 HD21 LEU 81 HD21 LEU 81 90.505 -2.863 -8.575 616 HD22 LEU 81 HD22 LEU 81 88.968 -3.212 -7.785 617 HD23 LEU 81 HD23 LEU 81 90.328 -4.319 -7.596 618 H ALA 82 HN ALA 82 86.773 -5.110 -4.467 619 HA ALA 82 HA ALA 82 87.051 -4.548 -1.643 620 HB1 ALA 82 HB1 ALA 82 85.205 -6.302 -3.269 621 HB2 ALA 82 HB2 ALA 82 84.828 -4.806 -2.418 622 HB3 ALA 82 HB3 ALA 82 85.137 -6.284 -1.507 623 H GLN 83 HN GLN 83 89.391 -5.890 -2.591 624 HA GLN 83 HA GLN 83 89.333 -8.700 -1.957 625 HB2 GLN 83 HB2 GLN 83 91.850 -8.342 -1.648 626 HB3 GLN 83 HB1 GLN 83 91.206 -7.896 -3.228 627 HG2 GLN 83 HG2 GLN 83 91.303 -5.592 -2.755 628 HG3 GLN 83 HG1 GLN 83 91.393 -5.860 -1.014 629 HE21 GLN 83 HE21 GLN 83 93.360 -4.227 -1.993 630 HE22 GLN 83 HE22 GLN 83 94.845 -5.043 -2.092 631 H TYR 84 HN TYR 84 87.852 -7.950 0.020 632 HA TYR 84 HA TYR 84 87.655 -8.092 2.350 633 HD1 TYR 84 HD1 TYR 84 87.795 -10.094 1.209 634 HD2 TYR 84 HD2 TYR 84 92.022 -9.986 1.966 635 HE1 TYR 84 HE1 TYR 84 88.115 -12.033 -0.303 636 HE2 TYR 84 HE2 TYR 84 92.342 -11.925 0.453 637 HH TYR 84 HH TYR 84 91.366 -13.380 -0.899 638 HB2 TYR 84 HB2 TYR 84 90.629 -8.207 2.720 639 HB3 TYR 84 HB1 TYR 84 89.359 -9.083 3.571 640 H GLY 85 HN GLY 85 87.172 -5.715 1.733 641 HA2 GLY 85 HA2 GLY 85 89.154 -3.690 2.287 642 HA3 GLY 85 HA1 GLY 85 87.406 -3.423 2.239 643 H ILE 86 HN ILE 86 87.299 -5.796 4.185 644 HA ILE 86 HA ILE 86 87.135 -6.106 6.502 645 HB ILE 86 HB ILE 86 89.231 -3.952 6.838 646 HG12 ILE 86 HG12 ILE 86 90.417 -6.544 6.695 647 HG13 ILE 86 HG11 ILE 86 89.436 -6.327 5.245 648 HG21 ILE 86 HG21 ILE 86 89.815 -5.180 8.805 649 HG22 ILE 86 HG22 ILE 86 88.855 -6.572 8.305 650 HG23 ILE 86 HG23 ILE 86 88.054 -5.083 8.806 651 HD11 ILE 86 HD11 ILE 86 91.358 -4.209 6.225 652 HD12 ILE 86 HD12 ILE 86 90.593 -4.330 4.641 653 HD13 ILE 86 HD13 ILE 86 91.846 -5.481 5.105 654 H1U RCY 87 H1U RCY 87 80.136 -1.766 4.511 655 H1S RCY 87 H1S RCY 87 82.968 -2.415 7.370 656 HB1 RCY 87 HB1 RCY 87 84.489 -3.415 10.564 657 HB2 RCY 87 HB2 RCY 87 84.561 -4.936 9.677 658 HA RCY 87 HA RCY 87 84.539 -2.806 7.764 659 HN1 RCY 87 HN1 RCY 87 86.276 -5.066 8.425 Start of MODEL 79 1 HA MET 1 HA MET 1 81.361 -6.008 22.586 2 HB2 MET 1 HB2 MET 1 79.445 -4.905 20.518 3 HB3 MET 1 HB1 MET 1 80.620 -4.012 21.483 4 HG2 MET 1 HG2 MET 1 82.456 -5.245 20.355 5 HG3 MET 1 HG1 MET 1 81.264 -6.075 19.355 6 HE1 MET 1 HE1 MET 1 83.483 -4.852 18.018 7 HE2 MET 1 HE2 MET 1 83.828 -3.522 19.121 8 HE3 MET 1 HE3 MET 1 83.401 -3.180 17.446 9 H ASN 2 HN ASN 2 80.339 -6.090 24.531 10 HA ASN 2 HA ASN 2 77.635 -6.855 24.940 11 HB2 ASN 2 HB2 ASN 2 77.918 -6.043 27.218 12 HB3 ASN 2 HB1 ASN 2 79.411 -6.832 26.707 13 HD21 ASN 2 HD21 ASN 2 80.272 -4.584 24.972 14 HD22 ASN 2 HD22 ASN 2 80.745 -3.333 26.017 15 H LEU 3 HN LEU 3 75.878 -5.419 25.810 16 HA LEU 3 HA LEU 3 75.579 -3.079 24.075 17 HG LEU 3 HG LEU 3 72.415 -4.946 24.231 18 HB2 LEU 3 HB2 LEU 3 73.795 -4.363 26.159 19 HB3 LEU 3 HB1 LEU 3 73.344 -2.896 25.294 20 HD11 LEU 3 HD11 LEU 3 73.385 -2.788 22.979 21 HD12 LEU 3 HD12 LEU 3 72.734 -4.162 22.088 22 HD13 LEU 3 HD13 LEU 3 74.477 -3.990 22.289 23 HD21 LEU 3 HD21 LEU 3 75.228 -5.662 23.415 24 HD22 LEU 3 HD22 LEU 3 73.776 -6.660 23.371 25 HD23 LEU 3 HD23 LEU 3 74.542 -6.290 24.914 26 H GLU 4 HN GLU 4 77.570 -2.102 25.253 27 HA GLU 4 HA GLU 4 77.030 -1.013 27.919 28 HB2 GLU 4 HB2 GLU 4 79.225 0.223 27.465 29 HB3 GLU 4 HB1 GLU 4 79.320 -1.538 27.481 30 HG2 GLU 4 HG2 GLU 4 79.258 -1.620 25.056 31 HG3 GLU 4 HG1 GLU 4 78.976 0.119 24.967 32 HA PRO 5 HA PRO 5 74.879 2.753 27.109 33 HB2 PRO 5 HB2 PRO 5 77.369 4.048 28.180 34 HB3 PRO 5 HB1 PRO 5 75.670 4.392 28.564 35 HG2 PRO 5 HG2 PRO 5 77.244 2.905 30.166 36 HG3 PRO 5 HG1 PRO 5 75.501 2.634 30.014 37 HD2 PRO 5 HD2 PRO 5 77.709 0.925 29.095 38 HD3 PRO 5 HD1 PRO 5 75.981 0.537 29.246 39 HA PRO 6 HA PRO 6 77.271 3.720 23.312 40 HB2 PRO 6 HB2 PRO 6 75.239 3.519 21.549 41 HB3 PRO 6 HB1 PRO 6 76.031 2.081 22.224 42 HG2 PRO 6 HG2 PRO 6 73.399 3.278 22.893 43 HG3 PRO 6 HG1 PRO 6 73.900 1.579 22.879 44 HD2 PRO 6 HD2 PRO 6 73.710 3.235 25.165 45 HD3 PRO 6 HD1 PRO 6 74.512 1.652 25.085 46 H LYS 7 HN LYS 7 77.230 5.622 21.917 47 HA LYS 7 HA LYS 7 76.094 7.965 23.167 48 HB2 LYS 7 HB2 LYS 7 77.288 7.626 20.397 49 HB3 LYS 7 HB1 LYS 7 76.981 9.167 21.197 50 HG2 LYS 7 HG2 LYS 7 78.776 7.004 22.334 51 HG3 LYS 7 HG1 LYS 7 79.365 8.370 21.389 52 HD2 LYS 7 HD2 LYS 7 78.018 9.807 23.135 53 HD3 LYS 7 HD1 LYS 7 78.140 8.360 24.136 54 HE2 LYS 7 HE2 LYS 7 80.036 9.750 24.659 55 HE3 LYS 7 HE1 LYS 7 80.632 8.385 23.714 56 HZ1 LYS 7 HZ1 LYS 7 79.878 10.975 22.489 57 HZ2 LYS 7 HZ2 LYS 7 80.760 9.704 21.787 58 HZ3 LYS 7 HZ3 LYS 7 81.452 10.640 23.024 59 H ALA 8 HN ALA 8 74.106 8.857 22.837 60 HA ALA 8 HA ALA 8 72.003 7.586 21.517 61 HB1 ALA 8 HB1 ALA 8 72.274 10.598 21.681 62 HB2 ALA 8 HB2 ALA 8 71.863 9.596 23.073 63 HB3 ALA 8 HB3 ALA 8 70.787 9.650 21.676 64 H GLU 9 HN GLU 9 74.635 9.332 20.124 65 HA GLU 9 HA GLU 9 75.062 10.033 17.919 66 HB2 GLU 9 HB2 GLU 9 74.177 7.289 17.987 67 HB3 GLU 9 HB1 GLU 9 73.623 8.024 16.486 68 HG2 GLU 9 HG2 GLU 9 75.839 7.095 16.127 69 HG3 GLU 9 HG1 GLU 9 75.953 8.855 16.093 70 H1U RCY 10 H1U RCY 10 76.267 15.716 12.505 71 H1S RCY 10 H1S RCY 10 74.605 11.309 13.344 72 HB1 RCY 10 HB1 RCY 10 72.715 13.759 16.135 73 HB2 RCY 10 HB2 RCY 10 71.187 13.211 15.448 74 HA RCY 10 HA RCY 10 71.486 13.083 18.025 75 HN1 RCY 10 HN1 RCY 10 73.455 11.844 18.482 76 H ARG 11 HN ARG 11 69.718 12.018 18.907 77 HA ARG 11 HA ARG 11 68.482 9.670 18.497 78 HE ARG 11 HE ARG 11 65.562 9.854 20.058 79 HB2 ARG 11 HB2 ARG 11 67.036 12.332 18.353 80 HB3 ARG 11 HB1 ARG 11 66.270 10.784 18.702 81 HG2 ARG 11 HG2 ARG 11 68.555 11.903 20.347 82 HG3 ARG 11 HG1 ARG 11 66.861 12.187 20.742 83 HD2 ARG 11 HD2 ARG 11 68.386 9.586 20.763 84 HD3 ARG 11 HD1 ARG 11 67.409 10.303 22.042 85 HH11 ARG 11 HH21 ARG 11 68.020 7.978 21.583 86 HH12 ARG 11 HH22 ARG 11 67.182 6.475 21.384 87 HH21 ARG 11 HH11 ARG 11 64.454 7.903 19.789 88 HH22 ARG 11 HH12 ARG 11 65.163 6.432 20.369 89 H SER 12 HN SER 12 66.810 12.094 16.569 90 HA SER 12 HA SER 12 66.139 12.056 14.316 91 HG SER 12 HG SER 12 68.394 12.199 12.233 92 HB2 SER 12 HB2 SER 12 68.764 11.598 14.192 93 HB3 SER 12 HB1 SER 12 68.217 10.012 13.657 94 H ALA 13 HN ALA 13 65.207 10.025 16.325 95 HA ALA 13 HA ALA 13 64.909 7.465 15.124 96 HB1 ALA 13 HB1 ALA 13 62.907 8.860 16.926 97 HB2 ALA 13 HB2 ALA 13 64.352 8.037 17.512 98 HB3 ALA 13 HB3 ALA 13 63.087 7.122 16.692 99 H THR 14 HN THR 14 61.760 8.311 15.596 100 HA THR 14 HA THR 14 59.957 8.581 14.132 101 HB THR 14 HB THR 14 60.070 10.414 12.673 102 HG1 THR 14 HG1 THR 14 62.843 10.382 12.442 103 HG21 THR 14 HG21 THR 14 62.492 11.029 14.354 104 HG22 THR 14 HG22 THR 14 60.902 10.847 15.096 105 HG23 THR 14 HG23 THR 14 61.173 12.101 13.886 106 H ARG 15 HN ARG 15 59.295 6.861 12.935 107 HA ARG 15 HA ARG 15 61.085 5.254 11.369 108 HE ARG 15 HE ARG 15 56.194 3.683 9.788 109 HB2 ARG 15 HB2 ARG 15 58.946 4.418 12.349 110 HB3 ARG 15 HB1 ARG 15 58.062 5.404 11.183 111 HG2 ARG 15 HG2 ARG 15 59.067 4.187 9.325 112 HG3 ARG 15 HG1 ARG 15 60.074 3.262 10.438 113 HD2 ARG 15 HD2 ARG 15 57.975 2.076 9.621 114 HD3 ARG 15 HD1 ARG 15 58.173 2.141 11.370 115 HH11 ARG 15 HH21 ARG 15 57.719 2.936 12.798 116 HH12 ARG 15 HH22 ARG 15 56.453 3.627 13.756 117 HH21 ARG 15 HH11 ARG 15 54.543 4.586 11.029 118 HH22 ARG 15 HH12 ARG 15 54.659 4.559 12.757 119 H VAL 16 HN VAL 16 58.322 7.232 10.216 120 HA VAL 16 HA VAL 16 57.969 8.180 8.090 121 HB VAL 16 HB VAL 16 60.881 8.908 8.037 122 HG11 VAL 16 HG11 VAL 16 58.944 9.737 6.473 123 HG12 VAL 16 HG12 VAL 16 60.099 10.912 7.103 124 HG13 VAL 16 HG13 VAL 16 58.507 10.753 7.847 125 HG21 VAL 16 HG21 VAL 16 60.329 10.701 9.752 126 HG22 VAL 16 HG22 VAL 16 60.440 9.063 10.397 127 HG23 VAL 16 HG23 VAL 16 58.860 9.795 10.113 128 H MET 17 HN MET 17 60.036 8.502 6.032 129 HA MET 17 HA MET 17 60.327 7.226 4.027 130 HB2 MET 17 HB2 MET 17 62.282 5.573 4.554 131 HB3 MET 17 HB1 MET 17 62.543 7.302 4.778 132 HG2 MET 17 HG2 MET 17 62.150 7.122 7.158 133 HG3 MET 17 HG1 MET 17 61.658 5.436 6.994 134 HE1 MET 17 HE1 MET 17 64.678 3.397 6.481 135 HE2 MET 17 HE2 MET 17 63.057 3.698 5.860 136 HE3 MET 17 HE3 MET 17 63.313 3.550 7.596 137 H GLY 18 HN GLY 18 58.397 6.065 3.627 138 HA2 GLY 18 HA2 GLY 18 58.603 3.168 4.163 139 HA3 GLY 18 HA1 GLY 18 57.173 3.974 4.810 140 H GLY 19 HN GLY 19 55.668 4.934 3.298 141 HA2 GLY 19 HA2 GLY 19 55.126 3.393 0.994 142 HA3 GLY 19 HA1 GLY 19 54.465 5.003 1.282 143 HA PRO 20 HA PRO 20 57.285 4.872 -2.558 144 HB2 PRO 20 HB2 PRO 20 55.076 6.736 -3.336 145 HB3 PRO 20 HB1 PRO 20 55.898 5.495 -4.303 146 HG2 PRO 20 HG2 PRO 20 53.450 5.101 -3.327 147 HG3 PRO 20 HG1 PRO 20 54.633 3.786 -3.434 148 HD2 PRO 20 HD2 PRO 20 53.674 5.257 -1.022 149 HD3 PRO 20 HD1 PRO 20 54.266 3.587 -1.166 150 H1U RCY 21 H1U RCY 21 65.559 9.756 1.000 151 H1S RCY 21 H1S RCY 21 62.389 6.227 0.174 152 HB1 RCY 21 HB1 RCY 21 59.565 7.885 -0.108 153 HB2 RCY 21 HB2 RCY 21 60.538 9.211 -0.745 154 HA RCY 21 HA RCY 21 58.372 9.184 -1.873 155 HN1 RCY 21 HN1 RCY 21 58.860 6.425 -2.889 156 H THR 22 HN THR 22 60.072 10.714 -2.716 157 HA THR 22 HA THR 22 60.827 9.929 -5.490 158 HB THR 22 HB THR 22 61.020 12.336 -5.906 159 HG1 THR 22 HG1 THR 22 61.718 13.171 -4.032 160 HG21 THR 22 HG21 THR 22 58.639 12.982 -5.336 161 HG22 THR 22 HG22 THR 22 58.518 11.464 -4.445 162 HG23 THR 22 HG23 THR 22 58.807 11.445 -6.185 163 HA PRO 23 HA PRO 23 64.963 9.307 -3.653 164 HB2 PRO 23 HB2 PRO 23 65.600 9.323 -6.580 165 HB3 PRO 23 HB1 PRO 23 66.125 8.192 -5.317 166 HG2 PRO 23 HG2 PRO 23 64.219 7.542 -7.061 167 HG3 PRO 23 HG1 PRO 23 64.162 7.003 -5.373 168 HD2 PRO 23 HD2 PRO 23 62.520 9.081 -6.736 169 HD3 PRO 23 HD1 PRO 23 62.118 8.058 -5.339 170 H ARG 24 HN ARG 24 66.809 10.663 -3.431 171 HA ARG 24 HA ARG 24 66.415 13.431 -4.419 172 HE ARG 24 HE ARG 24 69.210 13.764 -0.457 173 HB2 ARG 24 HB2 ARG 24 66.888 13.090 -2.022 174 HB3 ARG 24 HB1 ARG 24 68.403 12.289 -2.432 175 HG2 ARG 24 HG2 ARG 24 68.317 14.822 -3.799 176 HG3 ARG 24 HG1 ARG 24 67.940 15.090 -2.098 177 HD2 ARG 24 HD2 ARG 24 70.329 13.507 -3.088 178 HD3 ARG 24 HD1 ARG 24 70.391 15.194 -2.578 179 HH11 ARG 24 HH21 ARG 24 72.156 13.869 -2.245 180 HH12 ARG 24 HH22 ARG 24 73.135 13.335 -0.919 181 HH21 ARG 24 HH11 ARG 24 70.471 13.066 1.285 182 HH22 ARG 24 HH12 ARG 24 72.180 12.881 1.079 183 H LYS 25 HN LYS 25 67.809 14.407 -5.872 184 HA LYS 25 HA LYS 25 69.592 12.659 -7.392 185 HB2 LYS 25 HB2 LYS 25 70.059 14.801 -8.673 186 HB3 LYS 25 HB1 LYS 25 68.365 14.308 -8.642 187 HG2 LYS 25 HG2 LYS 25 67.825 15.924 -6.967 188 HG3 LYS 25 HG1 LYS 25 69.526 16.245 -6.630 189 HD2 LYS 25 HD2 LYS 25 69.838 17.352 -8.716 190 HD3 LYS 25 HD1 LYS 25 68.306 16.747 -9.349 191 HE2 LYS 25 HE2 LYS 25 67.064 18.105 -7.743 192 HE3 LYS 25 HE1 LYS 25 68.569 18.651 -7.003 193 HZ1 LYS 25 HZ1 LYS 25 67.261 19.884 -9.041 194 HZ2 LYS 25 HZ2 LYS 25 68.511 19.055 -9.839 195 HZ3 LYS 25 HZ3 LYS 25 68.875 20.154 -8.595 196 H GLY 26 HN GLY 26 71.891 13.408 -7.841 197 HA2 GLY 26 HA2 GLY 26 73.165 15.064 -5.788 198 HA3 GLY 26 HA1 GLY 26 73.545 13.347 -5.657 199 HA PRO 27 HA PRO 27 76.771 15.380 -8.374 200 HB2 PRO 27 HB2 PRO 27 78.141 12.930 -7.333 201 HB3 PRO 27 HB1 PRO 27 78.765 14.582 -7.501 202 HG2 PRO 27 HG2 PRO 27 78.069 13.603 -5.127 203 HG3 PRO 27 HG1 PRO 27 77.781 15.299 -5.552 204 HD2 PRO 27 HD2 PRO 27 75.822 13.057 -5.335 205 HD3 PRO 27 HD1 PRO 27 75.587 14.794 -5.041 206 HA PRO 28 HA PRO 28 76.261 13.119 -12.139 207 HB2 PRO 28 HB2 PRO 28 79.205 12.544 -11.989 208 HB3 PRO 28 HB1 PRO 28 78.242 13.127 -13.361 209 HG2 PRO 28 HG2 PRO 28 79.765 14.774 -11.896 210 HG3 PRO 28 HG1 PRO 28 78.228 15.291 -12.609 211 HD2 PRO 28 HD2 PRO 28 78.889 14.816 -9.766 212 HD3 PRO 28 HD1 PRO 28 77.556 15.756 -10.469 213 H LYS 29 HN LYS 29 75.556 11.037 -12.452 214 HA LYS 29 HA LYS 29 76.279 8.986 -10.482 215 HB2 LYS 29 HB2 LYS 29 74.697 7.602 -12.071 216 HB3 LYS 29 HB1 LYS 29 74.012 8.843 -11.023 217 HG2 LYS 29 HG2 LYS 29 73.167 8.988 -13.368 218 HG3 LYS 29 HG1 LYS 29 74.006 10.451 -12.856 219 HD2 LYS 29 HD2 LYS 29 75.950 9.905 -14.108 220 HD3 LYS 29 HD1 LYS 29 75.437 8.229 -14.322 221 HE2 LYS 29 HE2 LYS 29 75.130 9.963 -16.289 222 HE3 LYS 29 HE1 LYS 29 73.870 8.774 -15.955 223 HZ1 LYS 29 HZ1 LYS 29 73.935 11.641 -15.270 224 HZ2 LYS 29 HZ2 LYS 29 72.951 10.566 -14.396 225 HZ3 LYS 29 HZ3 LYS 29 72.722 10.764 -16.068 226 H1U RCY 30 H1U RCY 30 71.599 2.644 -15.934 227 H1S RCY 30 H1S RCY 30 80.749 2.479 -11.365 228 HB1 RCY 30 HB1 RCY 30 78.260 4.667 -11.747 229 HB2 RCY 30 HB2 RCY 30 79.310 6.046 -11.420 230 HA RCY 30 HA RCY 30 78.683 6.952 -13.693 231 HN1 RCY 30 HN1 RCY 30 76.410 6.648 -11.766 232 H LYS 31 HN LYS 31 75.802 5.138 -12.789 233 HA LYS 31 HA LYS 31 74.473 3.644 -13.993 234 HB2 LYS 31 HB2 LYS 31 73.689 4.936 -15.662 235 HB3 LYS 31 HB1 LYS 31 75.183 5.855 -15.703 236 HG2 LYS 31 HG2 LYS 31 75.078 3.154 -17.041 237 HG3 LYS 31 HG1 LYS 31 74.363 4.544 -17.841 238 HD2 LYS 31 HD2 LYS 31 76.727 5.650 -17.163 239 HD3 LYS 31 HD1 LYS 31 77.235 3.966 -17.278 240 HE2 LYS 31 HE2 LYS 31 77.526 4.911 -19.460 241 HE3 LYS 31 HE1 LYS 31 76.082 3.901 -19.547 242 HZ1 LYS 31 HZ1 LYS 31 75.022 5.696 -20.266 243 HZ2 LYS 31 HZ2 LYS 31 76.340 6.711 -19.918 244 HZ3 LYS 31 HZ3 LYS 31 75.193 6.360 -18.715 245 H GLN 32 HN GLN 32 74.594 1.630 -15.088 246 HA GLN 32 HA GLN 32 76.758 0.705 -16.659 247 HB2 GLN 32 HB2 GLN 32 77.435 0.984 -13.885 248 HB3 GLN 32 HB1 GLN 32 77.362 -0.737 -14.251 249 HG2 GLN 32 HG2 GLN 32 78.926 -0.472 -16.087 250 HG3 GLN 32 HG1 GLN 32 78.907 1.283 -15.901 251 HE21 GLN 32 HE21 GLN 32 81.155 1.487 -15.314 252 HE22 GLN 32 HE22 GLN 32 81.773 0.869 -13.859 253 H ARG 33 HN ARG 33 73.791 0.394 -15.460 254 HA ARG 33 HA ARG 33 72.204 -1.340 -15.391 255 HE ARG 33 HE ARG 33 71.043 -0.297 -20.445 256 HB2 ARG 33 HB2 ARG 33 74.165 -2.663 -17.293 257 HB3 ARG 33 HB1 ARG 33 72.456 -3.056 -17.115 258 HG2 ARG 33 HG2 ARG 33 72.866 -0.200 -17.618 259 HG3 ARG 33 HG1 ARG 33 73.537 -1.197 -18.907 260 HD2 ARG 33 HD2 ARG 33 71.421 -2.304 -19.252 261 HD3 ARG 33 HD1 ARG 33 70.730 -1.540 -17.820 262 HH11 ARG 33 HH21 ARG 33 70.806 0.131 -17.032 263 HH12 ARG 33 HH22 ARG 33 70.200 1.749 -17.143 264 HH21 ARG 33 HH11 ARG 33 70.253 1.815 -20.609 265 HH22 ARG 33 HH12 ARG 33 69.887 2.703 -19.168 266 H GLN 34 HN GLN 34 72.488 -2.019 -13.225 267 HA GLN 34 HA GLN 34 74.643 -3.745 -12.389 268 HB2 GLN 34 HB2 GLN 34 71.986 -2.966 -11.191 269 HB3 GLN 34 HB1 GLN 34 73.006 -4.180 -10.420 270 HG2 GLN 34 HG2 GLN 34 74.852 -2.597 -10.264 271 HG3 GLN 34 HG1 GLN 34 73.927 -1.386 -11.153 272 HE21 GLN 34 HE21 GLN 34 73.201 -3.546 -8.340 273 HE22 GLN 34 HE22 GLN 34 72.572 -2.303 -7.370 274 H THR 35 HN THR 35 71.953 -4.349 -14.321 275 HA THR 35 HA THR 35 71.038 -6.339 -15.141 276 HB THR 35 HB THR 35 73.763 -6.867 -14.587 277 HG1 THR 35 HG1 THR 35 73.312 -8.556 -16.152 278 HG21 THR 35 HG21 THR 35 72.947 -8.297 -12.683 279 HG22 THR 35 HG22 THR 35 73.807 -9.196 -13.929 280 HG23 THR 35 HG23 THR 35 72.048 -9.259 -13.857 281 H ARG 36 HN ARG 36 71.274 -5.586 -11.913 282 HA ARG 36 HA ARG 36 70.141 -6.334 -9.999 283 HE ARG 36 HE ARG 36 66.894 -4.003 -13.374 284 HB2 ARG 36 HB2 ARG 36 68.355 -7.210 -12.265 285 HB3 ARG 36 HB1 ARG 36 67.934 -7.585 -10.595 286 HG2 ARG 36 HG2 ARG 36 67.844 -5.278 -9.995 287 HG3 ARG 36 HG1 ARG 36 68.630 -4.783 -11.493 288 HD2 ARG 36 HD2 ARG 36 66.053 -6.301 -11.684 289 HD3 ARG 36 HD1 ARG 36 65.992 -4.604 -11.216 290 HH11 ARG 36 HH21 ARG 36 66.457 -7.399 -12.886 291 HH12 ARG 36 HH22 ARG 36 66.577 -7.782 -14.570 292 HH21 ARG 36 HH11 ARG 36 67.053 -4.499 -15.565 293 HH22 ARG 36 HH12 ARG 36 66.914 -6.146 -16.082 294 H GLN 37 HN GLN 37 72.288 -8.001 -10.982 295 HA GLN 37 HA GLN 37 71.816 -10.362 -9.421 296 HB2 GLN 37 HB2 GLN 37 70.966 -10.479 -12.183 297 HB3 GLN 37 HB1 GLN 37 72.317 -11.585 -11.944 298 HG2 GLN 37 HG2 GLN 37 69.929 -11.508 -10.083 299 HG3 GLN 37 HG1 GLN 37 69.998 -12.554 -11.501 300 HE21 GLN 37 HE21 GLN 37 69.858 -13.717 -8.922 301 HE22 GLN 37 HE22 GLN 37 71.341 -14.464 -8.570 302 H1U RCY 38 H1U RCY 38 78.730 -5.221 -5.458 303 H1S RCY 38 H1S RCY 38 77.956 -7.783 -7.807 304 HB1 RCY 38 HB1 RCY 38 77.267 -10.906 -8.756 305 HB2 RCY 38 HB2 RCY 38 75.649 -10.397 -8.273 306 HA RCY 38 HA RCY 38 76.088 -10.922 -11.176 307 HN1 RCY 38 HN1 RCY 38 73.733 -11.983 -9.868 308 H LYS 39 HN LYS 39 76.880 -12.844 -11.912 309 HA LYS 39 HA LYS 39 76.347 -15.381 -10.730 310 HB2 LYS 39 HB2 LYS 39 78.850 -14.828 -12.323 311 HB3 LYS 39 HB1 LYS 39 77.859 -16.284 -12.308 312 HG2 LYS 39 HG2 LYS 39 77.085 -13.592 -13.473 313 HG3 LYS 39 HG1 LYS 39 77.465 -15.052 -14.381 314 HD2 LYS 39 HD2 LYS 39 75.120 -14.680 -12.490 315 HD3 LYS 39 HD1 LYS 39 75.040 -14.777 -14.246 316 HE2 LYS 39 HE2 LYS 39 75.656 -16.958 -12.268 317 HE3 LYS 39 HE1 LYS 39 74.512 -16.967 -13.608 318 HZ1 LYS 39 HZ1 LYS 39 76.580 -18.269 -13.994 319 HZ2 LYS 39 HZ2 LYS 39 77.452 -16.811 -13.968 320 HZ3 LYS 39 HZ3 LYS 39 76.276 -17.081 -15.164 321 H SER 40 HN SER 40 78.691 -12.929 -9.992 322 HA SER 40 HA SER 40 80.568 -14.591 -8.570 323 HG SER 40 HG SER 40 80.277 -11.675 -10.120 324 HB2 SER 40 HB2 SER 40 79.973 -11.684 -7.980 325 HB3 SER 40 HB1 SER 40 81.487 -12.549 -7.731 326 H LYS 41 HN LYS 41 79.534 -15.943 -7.095 327 HA LYS 41 HA LYS 41 77.351 -15.367 -5.450 328 HB2 LYS 41 HB2 LYS 41 79.764 -17.061 -4.736 329 HB3 LYS 41 HB1 LYS 41 78.180 -17.150 -3.966 330 HG2 LYS 41 HG2 LYS 41 77.143 -17.949 -5.962 331 HG3 LYS 41 HG1 LYS 41 78.555 -17.547 -6.940 332 HD2 LYS 41 HD2 LYS 41 79.876 -19.224 -5.629 333 HD3 LYS 41 HD1 LYS 41 78.390 -19.690 -4.801 334 HE2 LYS 41 HE2 LYS 41 78.949 -21.166 -6.755 335 HE3 LYS 41 HE1 LYS 41 77.374 -20.384 -6.892 336 HZ1 LYS 41 HZ1 LYS 41 78.304 -18.737 -8.334 337 HZ2 LYS 41 HZ2 LYS 41 78.715 -20.269 -8.943 338 HZ3 LYS 41 HZ3 LYS 41 79.872 -19.343 -8.112 339 HA PRO 42 HA PRO 42 79.027 -12.302 -2.679 340 HB2 PRO 42 HB2 PRO 42 77.124 -12.383 -0.729 341 HB3 PRO 42 HB1 PRO 42 76.824 -11.672 -2.327 342 HG2 PRO 42 HG2 PRO 42 76.059 -14.357 -1.278 343 HG3 PRO 42 HG1 PRO 42 75.127 -13.229 -2.280 344 HD2 PRO 42 HD2 PRO 42 76.433 -15.414 -3.309 345 HD3 PRO 42 HD1 PRO 42 76.130 -13.930 -4.241 346 HA PRO 43 HA PRO 43 81.351 -14.396 0.455 347 HB2 PRO 43 HB2 PRO 43 81.419 -12.504 2.468 348 HB3 PRO 43 HB1 PRO 43 82.416 -12.432 1.002 349 HG2 PRO 43 HG2 PRO 43 79.884 -10.999 1.642 350 HG3 PRO 43 HG1 PRO 43 81.327 -10.419 0.792 351 HD2 PRO 43 HD2 PRO 43 79.062 -11.148 -0.530 352 HD3 PRO 43 HD1 PRO 43 80.681 -11.359 -1.233 353 H LYS 44 HN LYS 44 80.865 -15.889 2.031 354 HA LYS 44 HA LYS 44 78.313 -15.507 3.555 355 HB2 LYS 44 HB2 LYS 44 78.495 -17.415 1.822 356 HB3 LYS 44 HB1 LYS 44 79.610 -18.172 2.957 357 HG2 LYS 44 HG2 LYS 44 77.029 -17.203 4.099 358 HG3 LYS 44 HG1 LYS 44 76.931 -18.593 3.023 359 HD2 LYS 44 HD2 LYS 44 79.008 -18.556 5.195 360 HD3 LYS 44 HD1 LYS 44 77.343 -18.967 5.594 361 HE2 LYS 44 HE2 LYS 44 78.980 -20.327 3.433 362 HE3 LYS 44 HE1 LYS 44 78.716 -20.976 5.051 363 HZ1 LYS 44 HZ1 LYS 44 77.129 -21.453 2.940 364 HZ2 LYS 44 HZ2 LYS 44 76.313 -20.159 3.678 365 HZ3 LYS 44 HZ3 LYS 44 76.635 -21.576 4.558 366 H LYS 45 HN LYS 45 81.716 -16.309 3.704 367 HA LYS 45 HA LYS 45 81.508 -16.364 6.693 368 HB2 LYS 45 HB2 LYS 45 83.397 -17.996 4.967 369 HB3 LYS 45 HB1 LYS 45 83.347 -17.997 6.730 370 HG2 LYS 45 HG2 LYS 45 80.870 -18.666 6.479 371 HG3 LYS 45 HG1 LYS 45 81.270 -19.035 4.801 372 HD2 LYS 45 HD2 LYS 45 82.712 -20.193 7.204 373 HD3 LYS 45 HD1 LYS 45 81.448 -21.027 6.301 374 HE2 LYS 45 HE2 LYS 45 82.867 -20.684 4.219 375 HE3 LYS 45 HE1 LYS 45 84.164 -20.155 5.290 376 HZ1 LYS 45 HZ1 LYS 45 83.062 -22.547 6.276 377 HZ2 LYS 45 HZ2 LYS 45 84.645 -22.252 5.734 378 HZ3 LYS 45 HZ3 LYS 45 83.450 -22.762 4.639 379 H GLY 46 HN GLY 46 82.260 -14.308 4.487 380 HA2 GLY 46 HA2 GLY 46 83.911 -12.659 4.171 381 HA3 GLY 46 HA1 GLY 46 84.110 -12.780 5.920 382 H VAL 47 HN VAL 47 85.133 -14.318 2.873 383 HA VAL 47 HA VAL 47 87.283 -15.805 4.116 384 HB VAL 47 HB VAL 47 87.268 -15.018 1.208 385 HG11 VAL 47 HG11 VAL 47 89.113 -16.405 2.070 386 HG12 VAL 47 HG12 VAL 47 88.101 -17.339 0.968 387 HG13 VAL 47 HG13 VAL 47 87.950 -17.566 2.711 388 HG21 VAL 47 HG21 VAL 47 85.737 -17.049 0.909 389 HG22 VAL 47 HG22 VAL 47 84.973 -15.592 1.544 390 HG23 VAL 47 HG23 VAL 47 85.390 -16.916 2.633 391 H GLN 48 HN GLN 48 87.173 -12.847 4.612 392 HA GLN 48 HA GLN 48 88.749 -11.134 4.890 393 HB2 GLN 48 HB2 GLN 48 90.188 -13.312 5.313 394 HB3 GLN 48 HB1 GLN 48 90.903 -12.898 3.756 395 HG2 GLN 48 HG2 GLN 48 90.810 -11.173 6.245 396 HG3 GLN 48 HG1 GLN 48 92.241 -11.843 5.462 397 HE21 GLN 48 HE21 GLN 48 89.762 -9.328 5.215 398 HE22 GLN 48 HE22 GLN 48 90.519 -8.455 3.973 399 H GLY 49 HN GLY 49 88.614 -9.472 3.466 400 HA2 GLY 49 HA2 GLY 49 90.111 -9.137 1.153 401 HA3 GLY 49 HA1 GLY 49 88.628 -9.912 0.594 402 H1U RCY 50 H1U RCY 50 83.223 -0.564 -1.839 403 H1S RCY 50 H1S RCY 50 85.090 -3.868 0.928 404 HB1 RCY 50 HB1 RCY 50 86.362 -5.102 3.859 405 HB2 RCY 50 HB2 RCY 50 86.633 -6.839 3.968 406 HA RCY 50 HA RCY 50 87.679 -5.479 1.533 407 HN1 RCY 50 HN1 RCY 50 89.156 -7.469 3.149 408 H GLY 51 HN GLY 51 88.933 -6.059 4.843 409 HA2 GLY 51 HA2 GLY 51 90.253 -4.681 6.210 410 HA3 GLY 51 HA1 GLY 51 91.046 -4.199 4.710 411 H ASP 52 HN ASP 52 91.164 -2.052 5.836 412 HA ASP 52 HA ASP 52 89.099 -0.290 4.861 413 HB2 ASP 52 HB2 ASP 52 88.003 -1.300 6.918 414 HB3 ASP 52 HB1 ASP 52 89.263 -0.523 7.877 415 H ASP 53 HN ASP 53 91.762 -0.210 4.380 416 HA ASP 53 HA ASP 53 92.989 1.715 6.278 417 HB2 ASP 53 HB2 ASP 53 94.130 0.393 3.797 418 HB3 ASP 53 HB1 ASP 53 95.032 1.381 4.946 419 H ILE 54 HN ILE 54 90.700 2.450 4.494 420 HA ILE 54 HA ILE 54 91.949 4.875 3.380 421 HB ILE 54 HB ILE 54 91.910 2.970 1.624 422 HG12 ILE 54 HG12 ILE 54 92.389 5.269 1.020 423 HG13 ILE 54 HG11 ILE 54 91.295 4.585 -0.179 424 HG21 ILE 54 HG21 ILE 54 89.092 3.798 1.064 425 HG22 ILE 54 HG22 ILE 54 89.371 2.564 2.295 426 HG23 ILE 54 HG23 ILE 54 89.935 2.309 0.646 427 HD11 ILE 54 HD11 ILE 54 89.389 5.608 1.196 428 HD12 ILE 54 HD12 ILE 54 90.416 6.739 0.319 429 HD13 ILE 54 HD13 ILE 54 90.636 6.515 2.052 430 HA PRO 55 HA PRO 55 87.775 5.622 5.151 431 HB2 PRO 55 HB2 PRO 55 88.497 7.174 7.225 432 HB3 PRO 55 HB1 PRO 55 88.676 5.409 7.289 433 HG2 PRO 55 HG2 PRO 55 90.741 7.503 6.905 434 HG3 PRO 55 HG1 PRO 55 90.861 5.929 7.707 435 HD2 PRO 55 HD2 PRO 55 91.691 6.537 5.053 436 HD3 PRO 55 HD1 PRO 55 91.577 4.920 5.781 437 H GLY 56 HN GLY 56 87.430 6.928 3.154 438 HA2 GLY 56 HA2 GLY 56 86.738 9.558 3.473 439 HA3 GLY 56 HA1 GLY 56 88.458 9.674 3.101 440 H MET 57 HN MET 57 87.908 7.050 1.454 441 HA MET 57 HA MET 57 87.698 6.660 -0.858 442 HB2 MET 57 HB2 MET 57 85.288 8.458 -0.446 443 HB3 MET 57 HB1 MET 57 85.535 7.359 -1.803 444 HG2 MET 57 HG2 MET 57 84.150 6.146 -0.306 445 HG3 MET 57 HG1 MET 57 85.768 5.503 -0.033 446 HE1 MET 57 HE1 MET 57 84.241 9.104 1.543 447 HE2 MET 57 HE2 MET 57 83.125 8.129 2.494 448 HE3 MET 57 HE3 MET 57 83.176 7.939 0.744 449 H GLU 58 HN GLU 58 86.040 9.493 -1.727 450 HA GLU 58 HA GLU 58 88.243 11.309 -2.033 451 HB2 GLU 58 HB2 GLU 58 89.120 9.746 -3.644 452 HB3 GLU 58 HB1 GLU 58 87.543 9.564 -4.410 453 HG2 GLU 58 HG2 GLU 58 89.153 11.080 -5.647 454 HG3 GLU 58 HG1 GLU 58 87.604 11.822 -5.250 455 H GLY 59 HN GLY 59 85.017 10.284 -2.636 456 HA2 GLY 59 HA2 GLY 59 83.367 12.209 -2.391 457 HA3 GLY 59 HA1 GLY 59 84.310 13.019 -3.643 458 H1U RCY 60 H1U RCY 60 77.263 6.527 -1.537 459 H1S RCY 60 H1S RCY 60 81.543 4.966 -3.325 460 HB1 RCY 60 HB1 RCY 60 83.103 7.298 -5.378 461 HB2 RCY 60 HB2 RCY 60 81.343 7.424 -5.363 462 HA RCY 60 HA RCY 60 82.863 9.389 -6.343 463 HN1 RCY 60 HN1 RCY 60 83.668 9.568 -3.691 464 H GLY 61 HN GLY 61 80.348 8.956 -3.876 465 HA2 GLY 61 HA2 GLY 61 78.377 10.359 -3.629 466 HA3 GLY 61 HA1 GLY 61 78.684 11.023 -5.234 467 H THR 62 HN THR 62 77.588 10.135 -6.924 468 HA THR 62 HA THR 62 75.782 8.889 -7.843 469 HB THR 62 HB THR 62 77.786 7.751 -8.647 470 HG1 THR 62 HG1 THR 62 76.791 5.879 -9.144 471 HG21 THR 62 HG21 THR 62 78.592 5.718 -7.381 472 HG22 THR 62 HG22 THR 62 77.603 6.250 -6.023 473 HG23 THR 62 HG23 THR 62 78.936 7.256 -6.592 474 H ASP 63 HN ASP 63 75.092 9.419 -5.206 475 HA ASP 63 HA ASP 63 74.542 7.082 -3.639 476 HB2 ASP 63 HB2 ASP 63 72.785 8.595 -2.568 477 HB3 ASP 63 HB1 ASP 63 74.439 9.208 -2.544 478 H ILE 64 HN ILE 64 73.507 7.612 -6.659 479 HA ILE 64 HA ILE 64 70.946 6.143 -6.188 480 HB ILE 64 HB ILE 64 71.409 8.521 -8.007 481 HG12 ILE 64 HG12 ILE 64 70.709 8.676 -5.462 482 HG13 ILE 64 HG11 ILE 64 69.893 9.674 -6.660 483 HG21 ILE 64 HG21 ILE 64 70.152 7.061 -9.359 484 HG22 ILE 64 HG22 ILE 64 68.925 8.062 -8.584 485 HG23 ILE 64 HG23 ILE 64 69.237 6.431 -7.989 486 HD11 ILE 64 HD11 ILE 64 67.982 8.292 -6.690 487 HD12 ILE 64 HD12 ILE 64 68.420 8.361 -4.983 488 HD13 ILE 64 HD13 ILE 64 68.835 6.942 -5.942 489 H THR 65 HN THR 65 73.730 6.809 -8.183 490 HA THR 65 HA THR 65 74.494 5.795 -10.173 491 HB THR 65 HB THR 65 73.531 3.361 -8.643 492 HG1 THR 65 HG1 THR 65 76.051 4.655 -8.651 493 HG21 THR 65 HG21 THR 65 75.124 3.775 -11.108 494 HG22 THR 65 HG22 THR 65 74.165 2.383 -10.605 495 HG23 THR 65 HG23 THR 65 75.786 2.618 -9.955 496 H VAL 66 HN VAL 66 71.693 6.632 -10.195 497 HA VAL 66 HA VAL 66 69.868 6.490 -11.651 498 HB VAL 66 HB VAL 66 71.485 4.372 -13.098 499 HG11 VAL 66 HG11 VAL 66 69.216 6.202 -13.926 500 HG12 VAL 66 HG12 VAL 66 69.150 4.446 -13.775 501 HG13 VAL 66 HG13 VAL 66 70.134 5.186 -15.038 502 HG21 VAL 66 HG21 VAL 66 72.177 6.315 -14.546 503 HG22 VAL 66 HG22 VAL 66 72.840 6.379 -12.913 504 HG23 VAL 66 HG23 VAL 66 71.465 7.394 -13.347 505 H ILE 67 HN ILE 67 71.274 3.357 -10.716 506 HA ILE 67 HA ILE 67 68.517 2.460 -10.013 507 HB ILE 67 HB ILE 67 70.502 0.518 -11.174 508 HG12 ILE 67 HG12 ILE 67 68.578 2.290 -12.717 509 HG13 ILE 67 HG11 ILE 67 70.337 2.293 -12.849 510 HG21 ILE 67 HG21 ILE 67 68.650 -0.871 -11.401 511 HG22 ILE 67 HG22 ILE 67 67.523 0.478 -11.546 512 HG23 ILE 67 HG23 ILE 67 68.184 0.047 -9.970 513 HD11 ILE 67 HD11 ILE 67 70.139 -0.186 -13.479 514 HD12 ILE 67 HD12 ILE 67 69.583 0.978 -14.683 515 HD13 ILE 67 HD13 ILE 67 68.413 0.117 -13.682 516 H1U RCY 68 H1U RCY 68 63.159 6.648 -13.147 517 H1S RCY 68 H1S RCY 68 66.944 5.466 -8.610 518 HB1 RCY 68 HB1 RCY 68 70.800 2.501 -4.645 519 HB2 RCY 68 HB2 RCY 68 69.925 3.566 -5.739 520 HA RCY 68 HA RCY 68 71.000 0.894 -6.656 521 HN1 RCY 68 HN1 RCY 68 68.824 2.603 -7.800 522 HA PRO 69 HA PRO 69 68.356 -1.833 -4.430 523 HB2 PRO 69 HB2 PRO 69 69.015 -0.116 -2.051 524 HB3 PRO 69 HB1 PRO 69 68.935 -1.886 -2.169 525 HG2 PRO 69 HG2 PRO 69 71.257 -0.446 -2.341 526 HG3 PRO 69 HG1 PRO 69 71.022 -2.049 -3.053 527 HD2 PRO 69 HD2 PRO 69 71.446 0.437 -4.446 528 HD3 PRO 69 HD1 PRO 69 71.186 -1.166 -5.156 529 H TRP 70 HN TRP 70 67.903 1.518 -3.151 530 HA TRP 70 HA TRP 70 65.156 1.140 -2.494 531 HD1 TRP 70 HD1 TRP 70 67.040 4.895 -4.625 532 HE1 TRP 70 HE1 TRP 70 69.591 5.225 -4.442 533 HE3 TRP 70 HE3 TRP 70 68.030 1.906 -0.605 534 HZ2 TRP 70 HZ2 TRP 70 71.764 4.337 -2.807 535 HZ3 TRP 70 HZ3 TRP 70 70.345 1.667 0.244 536 HH2 TRP 70 HH2 TRP 70 72.212 2.877 -0.851 537 HB2 TRP 70 HB2 TRP 70 65.251 3.808 -3.133 538 HB3 TRP 70 HB1 TRP 70 65.765 3.144 -1.584 539 H GLU 71 HN GLU 71 66.525 0.813 -5.437 540 HA GLU 71 HA GLU 71 63.948 1.280 -6.826 541 HB2 GLU 71 HB2 GLU 71 66.620 2.463 -7.635 542 HB3 GLU 71 HB1 GLU 71 65.274 2.292 -8.760 543 HG2 GLU 71 HG2 GLU 71 65.034 3.747 -6.115 544 HG3 GLU 71 HG1 GLU 71 65.449 4.556 -7.623 545 H ALA 72 HN ALA 72 67.139 -0.166 -6.656 546 HA ALA 72 HA ALA 72 66.808 -1.817 -9.032 547 HB1 ALA 72 HB1 ALA 72 68.859 -2.959 -8.199 548 HB2 ALA 72 HB2 ALA 72 68.763 -2.001 -6.721 549 HB3 ALA 72 HB3 ALA 72 69.051 -1.207 -8.268 550 H1U RCY 73 H1U RCY 73 68.336 -12.638 -6.827 551 H1S RCY 73 H1S RCY 73 67.856 -8.496 -7.212 552 HB1 RCY 73 HB1 RCY 73 66.958 -6.674 -4.759 553 HB2 RCY 73 HB2 RCY 73 67.723 -5.193 -4.182 554 HA RCY 73 HA RCY 73 65.821 -5.494 -6.520 555 HN1 RCY 73 HN1 RCY 73 67.811 -3.394 -6.097 556 H ASN 74 HN ASN 74 66.250 -2.762 -4.356 557 HA ASN 74 HA ASN 74 64.945 -2.023 -2.532 558 HB2 ASN 74 HB2 ASN 74 62.635 -1.691 -3.119 559 HB3 ASN 74 HB1 ASN 74 63.571 -1.525 -4.604 560 HD21 ASN 74 HD21 ASN 74 63.430 -3.271 -6.196 561 HD22 ASN 74 HD22 ASN 74 62.196 -4.434 -6.117 562 H HIS 75 HN HIS 75 65.750 -4.925 -2.549 563 HA HIS 75 HA HIS 75 64.068 -5.734 -0.302 564 HD1 HIS 75 HD1 HIS 75 64.269 -9.764 -2.056 565 HD2 HIS 75 HD2 HIS 75 61.981 -7.458 0.562 566 HE1 HIS 75 HE1 HIS 75 63.401 -11.346 -0.276 567 HE2 HIS 75 HE2 HIS 75 62.008 -9.953 1.321 568 HB2 HIS 75 HB2 HIS 75 62.699 -6.503 -2.212 569 HB3 HIS 75 HB1 HIS 75 64.082 -7.401 -2.838 570 H1U RCY 76 H1U RCY 76 64.896 -1.942 3.985 571 H1S RCY 76 H1S RCY 76 67.345 -2.831 0.574 572 HB1 RCY 76 HB1 RCY 76 69.611 -6.048 -1.957 573 HB2 RCY 76 HB2 RCY 76 70.285 -6.251 -0.345 574 HA RCY 76 HA RCY 76 68.309 -7.791 -1.067 575 HN1 RCY 76 HN1 RCY 76 66.955 -5.245 -1.152 576 H GLU 77 HN GLU 77 67.657 -9.009 0.702 577 HA GLU 77 HA GLU 77 67.212 -8.031 3.332 578 HB2 GLU 77 HB2 GLU 77 66.844 -10.429 2.175 579 HB3 GLU 77 HB1 GLU 77 68.361 -10.773 3.004 580 HG2 GLU 77 HG2 GLU 77 67.278 -9.819 5.109 581 HG3 GLU 77 HG1 GLU 77 65.750 -9.855 4.228 582 H LEU 78 HN LEU 78 68.685 -8.756 5.251 583 HA LEU 78 HA LEU 78 71.558 -8.786 4.651 584 HG LEU 78 HG LEU 78 68.957 -6.541 5.727 585 HB2 LEU 78 HB2 LEU 78 71.961 -6.732 6.080 586 HB3 LEU 78 HB1 LEU 78 71.217 -6.410 4.517 587 HD11 LEU 78 HD11 LEU 78 70.872 -6.722 8.022 588 HD12 LEU 78 HD12 LEU 78 69.279 -7.450 7.828 589 HD13 LEU 78 HD13 LEU 78 69.422 -5.744 8.238 590 HD21 LEU 78 HD21 LEU 78 69.732 -4.405 5.008 591 HD22 LEU 78 HD22 LEU 78 70.996 -4.366 6.237 592 HD23 LEU 78 HD23 LEU 78 69.304 -4.195 6.706 593 H HIS 79 HN HIS 79 69.212 -10.114 6.251 594 HA HIS 79 HA HIS 79 70.419 -10.076 8.963 595 HD1 HIS 79 HD1 HIS 79 67.778 -8.146 8.534 596 HD2 HIS 79 HD2 HIS 79 68.120 -10.893 11.655 597 HE1 HIS 79 HE1 HIS 79 67.239 -6.883 10.665 598 HE2 HIS 79 HE2 HIS 79 67.444 -8.546 12.570 599 HB2 HIS 79 HB2 HIS 79 67.786 -10.748 7.812 600 HB3 HIS 79 HB1 HIS 79 68.320 -11.875 9.056 601 H GLU 80 HN GLU 80 71.758 -11.331 6.596 602 HA GLU 80 HA GLU 80 72.274 -13.948 7.877 603 HB2 GLU 80 HB2 GLU 80 70.464 -14.236 6.096 604 HB3 GLU 80 HB1 GLU 80 71.698 -13.803 4.911 605 HG2 GLU 80 HG2 GLU 80 73.106 -15.663 5.655 606 HG3 GLU 80 HG1 GLU 80 71.930 -16.078 6.902 607 H LEU 81 HN LEU 81 73.078 -11.752 5.179 608 HA LEU 81 HA LEU 81 75.802 -12.820 5.017 609 HG LEU 81 HG LEU 81 73.684 -9.978 4.577 610 HB2 LEU 81 HB2 LEU 81 76.058 -10.714 3.490 611 HB3 LEU 81 HB1 LEU 81 75.055 -12.051 2.931 612 HD11 LEU 81 HD11 LEU 81 74.945 -8.469 3.227 613 HD12 LEU 81 HD12 LEU 81 73.373 -8.607 2.440 614 HD13 LEU 81 HD13 LEU 81 74.762 -9.483 1.795 615 HD21 LEU 81 HD21 LEU 81 72.957 -11.332 1.959 616 HD22 LEU 81 HD22 LEU 81 71.867 -10.449 3.028 617 HD23 LEU 81 HD23 LEU 81 72.563 -11.983 3.549 618 H ALA 82 HN ALA 82 74.737 -11.549 7.546 619 HA ALA 82 HA ALA 82 76.056 -9.017 7.902 620 HB1 ALA 82 HB1 ALA 82 74.221 -10.046 9.372 621 HB2 ALA 82 HB2 ALA 82 75.554 -9.261 10.219 622 HB3 ALA 82 HB3 ALA 82 75.500 -11.020 10.099 623 H GLN 83 HN GLN 83 77.471 -9.785 10.409 624 HA GLN 83 HA GLN 83 79.820 -9.946 10.793 625 HB2 GLN 83 HB2 GLN 83 80.431 -12.498 10.314 626 HB3 GLN 83 HB1 GLN 83 79.347 -12.054 11.630 627 HG2 GLN 83 HG2 GLN 83 77.401 -12.435 10.136 628 HG3 GLN 83 HG1 GLN 83 78.505 -12.935 8.853 629 HE21 GLN 83 HE21 GLN 83 79.661 -14.992 9.140 630 HE22 GLN 83 HE22 GLN 83 79.151 -16.125 10.296 631 H TYR 84 HN TYR 84 80.120 -8.503 8.812 632 HA TYR 84 HA TYR 84 81.997 -9.857 6.966 633 HD1 TYR 84 HD2 TYR 84 82.038 -10.749 4.678 634 HD2 TYR 84 HD1 TYR 84 80.391 -6.798 4.305 635 HE1 TYR 84 HE2 TYR 84 83.348 -10.397 2.602 636 HE2 TYR 84 HE1 TYR 84 81.702 -6.448 2.230 637 HH TYR 84 HH TYR 84 82.825 -7.649 0.542 638 HB2 TYR 84 HB2 TYR 84 79.799 -9.943 5.828 639 HB3 TYR 84 HB1 TYR 84 79.636 -8.198 6.018 640 H GLY 85 HN GLY 85 80.415 -6.791 7.872 641 HA2 GLY 85 HA2 GLY 85 82.238 -5.174 8.814 642 HA3 GLY 85 HA1 GLY 85 82.941 -5.352 7.206 643 H ILE 86 HN ILE 86 79.633 -4.809 8.473 644 HA ILE 86 HA ILE 86 79.202 -2.856 6.282 645 HB ILE 86 HB ILE 86 76.803 -2.893 7.410 646 HG12 ILE 86 HG12 ILE 86 76.336 -5.123 8.420 647 HG13 ILE 86 HG11 ILE 86 78.060 -5.479 8.403 648 HG21 ILE 86 HG21 ILE 86 76.307 -4.991 6.082 649 HG22 ILE 86 HG22 ILE 86 78.042 -5.138 5.805 650 HG23 ILE 86 HG23 ILE 86 77.168 -3.735 5.193 651 HD11 ILE 86 HD11 ILE 86 76.794 -3.143 9.868 652 HD12 ILE 86 HD12 ILE 86 78.494 -3.612 9.923 653 HD13 ILE 86 HD13 ILE 86 77.265 -4.664 10.622 654 H1U RCY 87 H1U RCY 87 72.143 2.166 11.456 655 H1S RCY 87 H1S RCY 87 75.186 3.509 8.227 656 HB1 RCY 87 HB1 RCY 87 76.542 0.735 10.835 657 HB2 RCY 87 HB2 RCY 87 75.903 -0.484 9.733 658 HA RCY 87 HA RCY 87 78.705 0.438 9.273 659 HN1 RCY 87 HN1 RCY 87 77.127 -1.948 8.657 Start of MODEL 80 1 HA MET 1 HA MET 1 64.510 -1.665 21.345 2 HB2 MET 1 HB2 MET 1 65.175 0.358 23.493 3 HB3 MET 1 HB1 MET 1 66.386 -0.244 22.360 4 HG2 MET 1 HG2 MET 1 65.091 0.559 20.467 5 HG3 MET 1 HG1 MET 1 63.764 1.031 21.529 6 HE1 MET 1 HE1 MET 1 64.046 3.146 20.009 7 HE2 MET 1 HE2 MET 1 65.644 2.838 19.333 8 HE3 MET 1 HE3 MET 1 65.328 4.353 20.174 9 H ASN 2 HN ASN 2 67.051 -1.930 22.465 10 HA ASN 2 HA ASN 2 68.372 -3.553 23.527 11 HB2 ASN 2 HB2 ASN 2 67.350 -2.278 25.508 12 HB3 ASN 2 HB1 ASN 2 66.212 -3.619 25.642 13 HD21 ASN 2 HD21 ASN 2 69.725 -3.653 24.836 14 HD22 ASN 2 HD22 ASN 2 70.158 -4.685 26.113 15 H LEU 3 HN LEU 3 66.989 -4.684 21.527 16 HA LEU 3 HA LEU 3 66.017 -6.682 20.762 17 HG LEU 3 HG LEU 3 68.558 -6.728 21.042 18 HB2 LEU 3 HB2 LEU 3 67.431 -7.550 23.292 19 HB3 LEU 3 HB1 LEU 3 66.629 -8.699 22.222 20 HD11 LEU 3 HD11 LEU 3 69.786 -7.668 22.941 21 HD12 LEU 3 HD12 LEU 3 70.395 -8.362 21.439 22 HD13 LEU 3 HD13 LEU 3 69.311 -9.299 22.467 23 HD21 LEU 3 HD21 LEU 3 67.242 -8.171 19.562 24 HD22 LEU 3 HD22 LEU 3 67.779 -9.601 20.443 25 HD23 LEU 3 HD23 LEU 3 68.936 -8.656 19.506 26 H GLU 4 HN GLU 4 63.799 -6.331 20.878 27 HA GLU 4 HA GLU 4 62.458 -7.298 23.371 28 HB2 GLU 4 HB2 GLU 4 60.680 -5.594 22.940 29 HB3 GLU 4 HB1 GLU 4 62.247 -4.867 23.293 30 HG2 GLU 4 HG2 GLU 4 62.646 -4.735 20.800 31 HG3 GLU 4 HG1 GLU 4 60.968 -5.228 20.572 32 HA PRO 5 HA PRO 5 60.209 -10.300 21.040 33 HB2 PRO 5 HB2 PRO 5 57.786 -8.824 22.021 34 HB3 PRO 5 HB1 PRO 5 58.110 -10.569 22.009 35 HG2 PRO 5 HG2 PRO 5 58.373 -9.079 24.224 36 HG3 PRO 5 HG1 PRO 5 59.406 -10.477 23.891 37 HD2 PRO 5 HD2 PRO 5 60.109 -7.614 23.893 38 HD3 PRO 5 HD1 PRO 5 61.175 -9.033 23.978 39 HA PRO 6 HA PRO 6 59.322 -7.524 17.518 40 HB2 PRO 6 HB2 PRO 6 60.115 -9.210 15.551 41 HB3 PRO 6 HB1 PRO 6 61.276 -8.316 16.552 42 HG2 PRO 6 HG2 PRO 6 60.454 -11.165 16.708 43 HG3 PRO 6 HG1 PRO 6 62.041 -10.429 16.982 44 HD2 PRO 6 HD2 PRO 6 60.270 -11.197 18.998 45 HD3 PRO 6 HD1 PRO 6 61.605 -10.043 19.200 46 H LYS 7 HN LYS 7 57.459 -7.375 16.274 47 HA LYS 7 HA LYS 7 55.743 -9.827 16.093 48 HB2 LYS 7 HB2 LYS 7 53.924 -7.836 15.890 49 HB3 LYS 7 HB1 LYS 7 54.389 -8.543 17.436 50 HG2 LYS 7 HG2 LYS 7 56.054 -6.299 16.369 51 HG3 LYS 7 HG1 LYS 7 54.474 -5.906 17.048 52 HD2 LYS 7 HD2 LYS 7 55.038 -6.851 19.165 53 HD3 LYS 7 HD1 LYS 7 56.477 -7.635 18.512 54 HE2 LYS 7 HE2 LYS 7 57.607 -5.546 18.235 55 HE3 LYS 7 HE1 LYS 7 56.126 -4.631 18.519 56 HZ1 LYS 7 HZ1 LYS 7 57.073 -6.468 20.600 57 HZ2 LYS 7 HZ2 LYS 7 56.197 -5.020 20.752 58 HZ3 LYS 7 HZ3 LYS 7 57.862 -4.978 20.416 59 H ALA 8 HN ALA 8 56.584 -10.330 13.999 60 HA ALA 8 HA ALA 8 55.165 -9.459 11.775 61 HB1 ALA 8 HB1 ALA 8 57.448 -7.654 12.458 62 HB2 ALA 8 HB2 ALA 8 55.914 -7.272 11.677 63 HB3 ALA 8 HB3 ALA 8 57.205 -8.045 10.756 64 H GLU 9 HN GLU 9 56.254 -10.143 9.683 65 HA GLU 9 HA GLU 9 57.353 -12.699 9.816 66 HB2 GLU 9 HB2 GLU 9 57.670 -10.518 7.747 67 HB3 GLU 9 HB1 GLU 9 58.391 -12.113 7.525 68 HG2 GLU 9 HG2 GLU 9 56.188 -12.055 6.462 69 HG3 GLU 9 HG1 GLU 9 56.148 -13.143 7.850 70 H1U RCY 10 H1U RCY 10 63.459 -13.665 4.077 71 H1S RCY 10 H1S RCY 10 64.446 -12.210 8.165 72 HB1 RCY 10 HB1 RCY 10 62.130 -11.121 9.717 73 HB2 RCY 10 HB2 RCY 10 61.574 -12.630 8.996 74 HA RCY 10 HA RCY 10 61.417 -13.362 11.565 75 HN1 RCY 10 HN1 RCY 10 59.171 -13.322 10.884 76 H ARG 11 HN ARG 11 63.043 -10.763 11.370 77 HA ARG 11 HA ARG 11 62.236 -9.736 13.968 78 HE ARG 11 HE ARG 11 63.092 -6.238 13.088 79 HB2 ARG 11 HB2 ARG 11 64.626 -9.832 12.883 80 HB3 ARG 11 HB1 ARG 11 64.155 -8.308 12.134 81 HG2 ARG 11 HG2 ARG 11 63.381 -8.058 14.823 82 HG3 ARG 11 HG1 ARG 11 64.971 -8.821 14.876 83 HD2 ARG 11 HD2 ARG 11 65.447 -6.502 14.840 84 HD3 ARG 11 HD1 ARG 11 65.683 -7.017 13.169 85 HH11 ARG 11 HH21 ARG 11 65.892 -4.852 14.546 86 HH12 ARG 11 HH22 ARG 11 65.334 -3.220 14.379 87 HH21 ARG 11 HH11 ARG 11 62.348 -4.116 12.862 88 HH22 ARG 11 HH12 ARG 11 63.328 -2.804 13.426 89 H SER 12 HN SER 12 61.705 -8.846 10.632 90 HA SER 12 HA SER 12 59.452 -7.265 11.057 91 HG SER 12 HG SER 12 62.794 -6.241 10.941 92 HB2 SER 12 HB2 SER 12 60.842 -4.973 10.569 93 HB3 SER 12 HB1 SER 12 60.354 -5.490 12.179 94 H ALA 13 HN ALA 13 58.567 -7.210 9.064 95 HA ALA 13 HA ALA 13 59.849 -6.190 6.731 96 HB1 ALA 13 HB1 ALA 13 61.250 -8.120 6.669 97 HB2 ALA 13 HB2 ALA 13 59.979 -8.431 5.488 98 HB3 ALA 13 HB3 ALA 13 59.912 -9.194 7.076 99 H THR 14 HN THR 14 58.275 -8.937 5.692 100 HA THR 14 HA THR 14 55.529 -8.336 6.191 101 HB THR 14 HB THR 14 55.646 -7.636 3.424 102 HG1 THR 14 HG1 THR 14 57.291 -6.365 3.300 103 HG21 THR 14 HG21 THR 14 53.862 -6.954 4.909 104 HG22 THR 14 HG22 THR 14 54.655 -5.498 4.306 105 HG23 THR 14 HG23 THR 14 54.994 -6.076 5.937 106 H ARG 15 HN ARG 15 57.604 -9.316 3.438 107 HA ARG 15 HA ARG 15 56.601 -12.060 3.622 108 HE ARG 15 HE ARG 15 52.988 -10.820 0.862 109 HB2 ARG 15 HB2 ARG 15 55.761 -12.061 1.251 110 HB3 ARG 15 HB1 ARG 15 54.771 -11.109 2.356 111 HG2 ARG 15 HG2 ARG 15 56.325 -9.127 1.616 112 HG3 ARG 15 HG1 ARG 15 56.672 -10.158 0.228 113 HD2 ARG 15 HD2 ARG 15 54.150 -8.769 0.971 114 HD3 ARG 15 HD1 ARG 15 54.817 -9.113 -0.625 115 HH11 ARG 15 HH21 ARG 15 55.556 -10.652 -1.432 116 HH12 ARG 15 HH22 ARG 15 55.127 -12.134 -2.220 117 HH21 ARG 15 HH11 ARG 15 52.413 -12.756 -0.153 118 HH22 ARG 15 HH12 ARG 15 53.348 -13.325 -1.496 119 H VAL 16 HN VAL 16 57.346 -11.772 0.482 120 HA VAL 16 HA VAL 16 60.289 -11.663 0.856 121 HB VAL 16 HB VAL 16 60.416 -13.844 -0.497 122 HG11 VAL 16 HG11 VAL 16 60.191 -15.216 1.534 123 HG12 VAL 16 HG12 VAL 16 59.264 -13.931 2.309 124 HG13 VAL 16 HG13 VAL 16 60.964 -13.677 1.913 125 HG21 VAL 16 HG21 VAL 16 57.912 -13.700 -1.044 126 HG22 VAL 16 HG22 VAL 16 57.628 -14.236 0.612 127 HG23 VAL 16 HG23 VAL 16 58.505 -15.273 -0.513 128 H MET 17 HN MET 17 59.602 -9.646 -0.415 129 HA MET 17 HA MET 17 59.478 -8.485 -2.450 130 HB2 MET 17 HB2 MET 17 61.669 -9.595 -2.731 131 HB3 MET 17 HB1 MET 17 60.864 -10.997 -3.435 132 HG2 MET 17 HG2 MET 17 60.278 -9.852 -5.384 133 HG3 MET 17 HG1 MET 17 60.374 -8.273 -4.603 134 HE1 MET 17 HE1 MET 17 63.202 -9.686 -7.467 135 HE2 MET 17 HE2 MET 17 61.460 -9.452 -7.353 136 HE3 MET 17 HE3 MET 17 62.187 -10.928 -6.722 137 H GLY 18 HN GLY 18 57.339 -8.341 -3.047 138 HA2 GLY 18 HA2 GLY 18 56.151 -10.671 -4.497 139 HA3 GLY 18 HA1 GLY 18 55.207 -9.448 -3.645 140 H GLY 19 HN GLY 19 54.094 -9.296 -5.800 141 HA2 GLY 19 HA2 GLY 19 55.617 -8.008 -7.962 142 HA3 GLY 19 HA1 GLY 19 53.909 -8.443 -8.014 143 HA PRO 20 HA PRO 20 52.267 -4.604 -6.475 144 HB2 PRO 20 HB2 PRO 20 52.885 -5.131 -3.588 145 HB3 PRO 20 HB1 PRO 20 51.378 -4.555 -4.331 146 HG2 PRO 20 HG2 PRO 20 51.640 -7.073 -3.534 147 HG3 PRO 20 HG1 PRO 20 50.763 -6.671 -5.020 148 HD2 PRO 20 HD2 PRO 20 53.465 -7.904 -4.707 149 HD3 PRO 20 HD1 PRO 20 52.272 -8.114 -6.008 150 H1U RCY 21 H1U RCY 21 58.867 1.415 -3.382 151 H1S RCY 21 H1S RCY 21 56.911 -1.734 -4.978 152 HB1 RCY 21 HB1 RCY 21 57.287 -1.996 -7.662 153 HB2 RCY 21 HB2 RCY 21 56.482 -3.551 -7.860 154 HA RCY 21 HA RCY 21 55.765 -2.076 -5.392 155 HN1 RCY 21 HN1 RCY 21 53.926 -3.314 -7.387 156 H THR 22 HN THR 22 55.640 0.132 -5.502 157 HA THR 22 HA THR 22 54.406 1.323 -7.965 158 HB THR 22 HB THR 22 52.951 1.519 -5.996 159 HG1 THR 22 HG1 THR 22 53.667 4.079 -5.951 160 HG21 THR 22 HG21 THR 22 53.670 2.191 -3.932 161 HG22 THR 22 HG22 THR 22 54.840 3.331 -4.597 162 HG23 THR 22 HG23 THR 22 55.223 1.611 -4.532 163 HA PRO 23 HA PRO 23 58.669 3.053 -7.853 164 HB2 PRO 23 HB2 PRO 23 58.032 3.751 -10.653 165 HB3 PRO 23 HB1 PRO 23 59.377 2.790 -10.013 166 HG2 PRO 23 HG2 PRO 23 57.334 1.702 -11.382 167 HG3 PRO 23 HG1 PRO 23 58.197 0.837 -10.100 168 HD2 PRO 23 HD2 PRO 23 55.496 2.139 -10.008 169 HD3 PRO 23 HD1 PRO 23 56.060 0.652 -9.211 170 H ARG 24 HN ARG 24 59.220 5.197 -7.468 171 HA ARG 24 HA ARG 24 57.866 7.431 -8.679 172 HE ARG 24 HE ARG 24 53.521 8.232 -7.763 173 HB2 ARG 24 HB2 ARG 24 56.117 6.602 -7.037 174 HB3 ARG 24 HB1 ARG 24 57.242 7.013 -5.746 175 HG2 ARG 24 HG2 ARG 24 55.959 8.964 -5.911 176 HG3 ARG 24 HG1 ARG 24 57.347 9.348 -6.931 177 HD2 ARG 24 HD2 ARG 24 55.802 9.822 -8.524 178 HD3 ARG 24 HD1 ARG 24 55.669 8.073 -8.702 179 HH11 ARG 24 HH21 ARG 24 55.502 10.910 -6.874 180 HH12 ARG 24 HH22 ARG 24 54.239 11.731 -6.020 181 HH21 ARG 24 HH11 ARG 24 51.860 9.289 -6.652 182 HH22 ARG 24 HH12 ARG 24 52.177 10.814 -5.894 183 H LYS 25 HN LYS 25 58.440 8.267 -5.483 184 HA LYS 25 HA LYS 25 60.714 9.848 -6.062 185 HB2 LYS 25 HB2 LYS 25 60.500 8.790 -3.284 186 HB3 LYS 25 HB1 LYS 25 60.667 10.452 -3.844 187 HG2 LYS 25 HG2 LYS 25 58.466 10.570 -3.206 188 HG3 LYS 25 HG1 LYS 25 58.205 9.906 -4.819 189 HD2 LYS 25 HD2 LYS 25 58.320 7.602 -3.805 190 HD3 LYS 25 HD1 LYS 25 58.351 8.364 -2.215 191 HE2 LYS 25 HE2 LYS 25 56.220 9.567 -3.647 192 HE3 LYS 25 HE1 LYS 25 56.081 7.828 -3.902 193 HZ1 LYS 25 HZ1 LYS 25 56.222 9.264 -1.311 194 HZ2 LYS 25 HZ2 LYS 25 56.356 7.576 -1.454 195 HZ3 LYS 25 HZ3 LYS 25 54.922 8.359 -1.920 196 H GLY 26 HN GLY 26 60.478 6.486 -5.788 197 HA2 GLY 26 HA2 GLY 26 62.855 5.673 -4.551 198 HA3 GLY 26 HA1 GLY 26 62.136 4.825 -5.920 199 HA PRO 27 HA PRO 27 65.378 5.637 -8.762 200 HB2 PRO 27 HB2 PRO 27 63.425 7.385 -10.225 201 HB3 PRO 27 HB1 PRO 27 64.505 6.129 -10.862 202 HG2 PRO 27 HG2 PRO 27 61.887 5.700 -10.447 203 HG3 PRO 27 HG1 PRO 27 63.103 4.428 -10.262 204 HD2 PRO 27 HD2 PRO 27 61.504 5.772 -8.185 205 HD3 PRO 27 HD1 PRO 27 62.415 4.251 -8.091 206 HA PRO 28 HA PRO 28 67.261 9.363 -7.109 207 HB2 PRO 28 HB2 PRO 28 68.556 9.360 -9.817 208 HB3 PRO 28 HB1 PRO 28 69.294 9.578 -8.218 209 HG2 PRO 28 HG2 PRO 28 69.444 7.259 -9.541 210 HG3 PRO 28 HG1 PRO 28 69.320 7.328 -7.776 211 HD2 PRO 28 HD2 PRO 28 67.296 6.454 -9.754 212 HD3 PRO 28 HD1 PRO 28 67.421 6.069 -8.024 213 H LYS 29 HN LYS 29 67.329 11.696 -7.614 214 HA LYS 29 HA LYS 29 66.147 12.770 -10.012 215 HB2 LYS 29 HB2 LYS 29 64.026 13.559 -9.096 216 HB3 LYS 29 HB1 LYS 29 64.105 11.804 -8.943 217 HG2 LYS 29 HG2 LYS 29 65.031 12.197 -6.589 218 HG3 LYS 29 HG1 LYS 29 64.529 13.877 -6.784 219 HD2 LYS 29 HD2 LYS 29 62.215 13.137 -7.224 220 HD3 LYS 29 HD1 LYS 29 62.715 11.457 -7.023 221 HE2 LYS 29 HE2 LYS 29 61.732 12.252 -4.936 222 HE3 LYS 29 HE1 LYS 29 63.461 11.999 -4.702 223 HZ1 LYS 29 HZ1 LYS 29 62.696 14.116 -3.780 224 HZ2 LYS 29 HZ2 LYS 29 62.189 14.609 -5.325 225 HZ3 LYS 29 HZ3 LYS 29 63.838 14.344 -5.014 226 H1U RCY 30 H1U RCY 30 69.354 7.902 -6.498 227 H1S RCY 30 H1S RCY 30 68.701 11.926 -5.164 228 HB1 RCY 30 HB1 RCY 30 67.684 14.315 -4.905 229 HB2 RCY 30 HB2 RCY 30 68.699 15.755 -4.847 230 HA RCY 30 HA RCY 30 67.521 15.949 -6.895 231 HN1 RCY 30 HN1 RCY 30 67.819 13.011 -7.146 232 H LYS 31 HN LYS 31 70.411 16.006 -5.927 233 HA LYS 31 HA LYS 31 71.568 16.681 -8.534 234 HB2 LYS 31 HB2 LYS 31 73.129 16.651 -5.961 235 HB3 LYS 31 HB1 LYS 31 73.263 17.756 -7.330 236 HG2 LYS 31 HG2 LYS 31 70.982 18.637 -6.765 237 HG3 LYS 31 HG1 LYS 31 71.005 17.636 -5.313 238 HD2 LYS 31 HD2 LYS 31 71.834 19.633 -4.464 239 HD3 LYS 31 HD1 LYS 31 73.336 18.824 -4.915 240 HE2 LYS 31 HE2 LYS 31 73.406 20.029 -7.029 241 HE3 LYS 31 HE1 LYS 31 71.832 20.756 -6.704 242 HZ1 LYS 31 HZ1 LYS 31 74.198 21.115 -4.952 243 HZ2 LYS 31 HZ2 LYS 31 72.720 21.951 -4.877 244 HZ3 LYS 31 HZ3 LYS 31 73.775 22.199 -6.186 245 H GLN 32 HN GLN 32 73.559 15.720 -9.343 246 HA GLN 32 HA GLN 32 74.745 13.399 -8.112 247 HB2 GLN 32 HB2 GLN 32 72.615 12.361 -8.779 248 HB3 GLN 32 HB1 GLN 32 72.858 12.906 -10.437 249 HG2 GLN 32 HG2 GLN 32 75.207 11.499 -9.499 250 HG3 GLN 32 HG1 GLN 32 73.773 10.492 -9.297 251 HE21 GLN 32 HE21 GLN 32 72.796 9.629 -11.188 252 HE22 GLN 32 HE22 GLN 32 73.361 9.940 -12.758 253 H ARG 33 HN ARG 33 76.647 14.579 -8.704 254 HA ARG 33 HA ARG 33 77.141 14.949 -11.615 255 HE ARG 33 HE ARG 33 78.530 16.262 -6.101 256 HB2 ARG 33 HB2 ARG 33 79.284 16.062 -10.712 257 HB3 ARG 33 HB1 ARG 33 77.759 16.892 -10.415 258 HG2 ARG 33 HG2 ARG 33 78.350 14.952 -8.318 259 HG3 ARG 33 HG1 ARG 33 79.632 16.154 -8.475 260 HD2 ARG 33 HD2 ARG 33 77.867 17.945 -8.412 261 HD3 ARG 33 HD1 ARG 33 76.678 16.691 -8.059 262 HH11 ARG 33 HH21 ARG 33 76.983 19.079 -7.349 263 HH12 ARG 33 HH22 ARG 33 77.028 19.933 -5.844 264 HH21 ARG 33 HH11 ARG 33 78.598 17.361 -4.127 265 HH22 ARG 33 HH12 ARG 33 77.943 18.961 -4.019 266 H GLN 34 HN GLN 34 77.293 12.403 -9.722 267 HA GLN 34 HA GLN 34 78.495 10.393 -9.892 268 HB2 GLN 34 HB2 GLN 34 78.753 11.381 -12.354 269 HB3 GLN 34 HB1 GLN 34 80.430 11.583 -11.847 270 HG2 GLN 34 HG2 GLN 34 80.295 9.407 -12.834 271 HG3 GLN 34 HG1 GLN 34 80.361 9.149 -11.091 272 HE21 GLN 34 HE21 GLN 34 77.350 10.434 -11.619 273 HE22 GLN 34 HE22 GLN 34 76.460 9.003 -11.819 274 H THR 35 HN THR 35 79.919 13.421 -9.183 275 HA THR 35 HA THR 35 81.699 14.004 -7.774 276 HB THR 35 HB THR 35 81.858 11.124 -6.902 277 HG1 THR 35 HG1 THR 35 79.924 11.221 -6.112 278 HG21 THR 35 HG21 THR 35 81.892 13.651 -5.252 279 HG22 THR 35 HG22 THR 35 83.349 13.027 -6.026 280 HG23 THR 35 HG23 THR 35 82.506 12.056 -4.819 281 H ARG 36 HN ARG 36 82.221 13.056 -10.504 282 HA ARG 36 HA ARG 36 84.067 12.524 -11.844 283 HE ARG 36 HE ARG 36 86.252 14.356 -12.536 284 HB2 ARG 36 HB2 ARG 36 85.704 12.926 -9.333 285 HB3 ARG 36 HB1 ARG 36 86.224 13.137 -11.005 286 HG2 ARG 36 HG2 ARG 36 84.147 14.803 -9.556 287 HG3 ARG 36 HG1 ARG 36 85.773 15.322 -10.003 288 HD2 ARG 36 HD2 ARG 36 83.417 14.761 -11.792 289 HD3 ARG 36 HD1 ARG 36 84.457 16.184 -11.748 290 HH11 ARG 36 HH21 ARG 36 82.942 14.782 -13.402 291 HH12 ARG 36 HH22 ARG 36 83.136 14.127 -14.994 292 HH21 ARG 36 HH11 ARG 36 86.524 13.498 -14.609 293 HH22 ARG 36 HH12 ARG 36 85.164 13.400 -15.677 294 H GLN 37 HN GLN 37 82.674 10.387 -10.504 295 HA GLN 37 HA GLN 37 82.893 8.063 -10.296 296 HB2 GLN 37 HB2 GLN 37 85.768 8.406 -11.179 297 HB3 GLN 37 HB1 GLN 37 84.759 6.971 -11.323 298 HG2 GLN 37 HG2 GLN 37 83.499 7.865 -13.076 299 HG3 GLN 37 HG1 GLN 37 83.876 9.530 -12.630 300 HE21 GLN 37 HE21 GLN 37 84.438 7.552 -15.113 301 HE22 GLN 37 HE22 GLN 37 86.033 7.968 -15.516 302 H1U RCY 38 H1U RCY 38 86.191 4.260 -0.771 303 H1S RCY 38 H1S RCY 38 84.325 7.788 -3.542 304 HB1 RCY 38 HB1 RCY 38 84.325 8.500 -6.140 305 HB2 RCY 38 HB2 RCY 38 84.780 10.204 -6.171 306 HA RCY 38 HA RCY 38 86.984 9.580 -7.131 307 HN1 RCY 38 HN1 RCY 38 85.775 9.827 -9.128 308 H LYS 39 HN LYS 39 86.103 7.082 -8.988 309 HA LYS 39 HA LYS 39 86.114 4.652 -7.860 310 HB2 LYS 39 HB2 LYS 39 86.683 5.231 -10.290 311 HB3 LYS 39 HB1 LYS 39 88.366 5.297 -9.765 312 HG2 LYS 39 HG2 LYS 39 87.824 2.950 -8.702 313 HG3 LYS 39 HG1 LYS 39 86.512 2.939 -9.881 314 HD2 LYS 39 HD2 LYS 39 88.199 1.988 -11.152 315 HD3 LYS 39 HD1 LYS 39 88.452 3.692 -11.534 316 HE2 LYS 39 HE2 LYS 39 90.583 2.597 -10.939 317 HE3 LYS 39 HE1 LYS 39 90.161 3.839 -9.761 318 HZ1 LYS 39 HZ1 LYS 39 89.089 1.235 -9.158 319 HZ2 LYS 39 HZ2 LYS 39 89.906 2.334 -8.153 320 HZ3 LYS 39 HZ3 LYS 39 90.784 1.286 -9.161 321 H SER 40 HN SER 40 89.048 6.693 -7.841 322 HA SER 40 HA SER 40 90.906 5.045 -6.647 323 HG SER 40 HG SER 40 91.007 8.372 -4.673 324 HB2 SER 40 HB2 SER 40 91.993 6.966 -5.867 325 HB3 SER 40 HB1 SER 40 90.974 7.621 -7.146 326 H LYS 41 HN LYS 41 90.841 3.754 -4.876 327 HA LYS 41 HA LYS 41 88.950 4.471 -2.664 328 HB2 LYS 41 HB2 LYS 41 89.195 1.928 -2.181 329 HB3 LYS 41 HB1 LYS 41 88.198 2.423 -3.550 330 HG2 LYS 41 HG2 LYS 41 89.848 1.839 -5.123 331 HG3 LYS 41 HG1 LYS 41 91.134 1.852 -3.915 332 HD2 LYS 41 HD2 LYS 41 88.873 -0.074 -3.550 333 HD3 LYS 41 HD1 LYS 41 90.090 -0.439 -4.773 334 HE2 LYS 41 HE2 LYS 41 91.853 -0.431 -3.167 335 HE3 LYS 41 HE1 LYS 41 90.829 0.316 -1.941 336 HZ1 LYS 41 HZ1 LYS 41 89.678 -1.628 -1.586 337 HZ2 LYS 41 HZ2 LYS 41 91.246 -2.216 -1.875 338 HZ3 LYS 41 HZ3 LYS 41 90.072 -2.280 -3.102 339 HA PRO 42 HA PRO 42 93.205 4.595 -0.863 340 HB2 PRO 42 HB2 PRO 42 92.914 6.919 0.529 341 HB3 PRO 42 HB1 PRO 42 93.349 6.881 -1.191 342 HG2 PRO 42 HG2 PRO 42 90.737 7.471 0.085 343 HG3 PRO 42 HG1 PRO 42 91.468 8.164 -1.370 344 HD2 PRO 42 HD2 PRO 42 89.493 6.197 -1.366 345 HD3 PRO 42 HD1 PRO 42 90.581 6.543 -2.728 346 HA PRO 43 HA PRO 43 92.296 2.785 3.053 347 HB2 PRO 43 HB2 PRO 43 94.058 4.226 4.720 348 HB3 PRO 43 HB1 PRO 43 94.444 2.751 3.816 349 HG2 PRO 43 HG2 PRO 43 95.023 5.578 3.152 350 HG3 PRO 43 HG1 PRO 43 95.962 4.115 2.809 351 HD2 PRO 43 HD2 PRO 43 94.538 5.372 0.878 352 HD3 PRO 43 HD1 PRO 43 94.722 3.602 0.900 353 H LYS 44 HN LYS 44 91.349 3.220 5.192 354 HA LYS 44 HA LYS 44 89.748 4.314 6.511 355 HB2 LYS 44 HB2 LYS 44 91.738 6.483 5.845 356 HB3 LYS 44 HB1 LYS 44 90.332 6.822 6.853 357 HG2 LYS 44 HG2 LYS 44 92.005 4.426 7.507 358 HG3 LYS 44 HG1 LYS 44 92.615 6.023 7.945 359 HD2 LYS 44 HD2 LYS 44 90.640 6.496 9.251 360 HD3 LYS 44 HD1 LYS 44 89.849 5.028 8.677 361 HE2 LYS 44 HE2 LYS 44 91.398 3.627 9.855 362 HE3 LYS 44 HE1 LYS 44 92.453 4.993 10.218 363 HZ1 LYS 44 HZ1 LYS 44 91.191 5.609 11.937 364 HZ2 LYS 44 HZ2 LYS 44 90.544 4.040 11.860 365 HZ3 LYS 44 HZ3 LYS 44 89.735 5.333 11.111 366 H LYS 45 HN LYS 45 88.654 6.907 6.293 367 HA LYS 45 HA LYS 45 86.550 6.598 4.522 368 HB2 LYS 45 HB2 LYS 45 87.022 9.367 4.431 369 HB3 LYS 45 HB1 LYS 45 86.003 8.517 5.587 370 HG2 LYS 45 HG2 LYS 45 87.606 9.827 6.843 371 HG3 LYS 45 HG1 LYS 45 88.059 8.129 6.999 372 HD2 LYS 45 HD2 LYS 45 90.116 9.047 6.454 373 HD3 LYS 45 HD1 LYS 45 89.509 8.668 4.841 374 HE2 LYS 45 HE2 LYS 45 90.266 10.915 4.690 375 HE3 LYS 45 HE1 LYS 45 88.513 11.038 4.839 376 HZ1 LYS 45 HZ1 LYS 45 90.594 11.782 6.725 377 HZ2 LYS 45 HZ2 LYS 45 89.218 11.043 7.396 378 HZ3 LYS 45 HZ3 LYS 45 89.060 12.462 6.475 379 H GLY 46 HN GLY 46 86.093 7.544 2.402 380 HA2 GLY 46 HA2 GLY 46 88.503 7.480 0.661 381 HA3 GLY 46 HA1 GLY 46 86.840 7.265 0.111 382 H VAL 47 HN VAL 47 89.262 9.337 -0.230 383 HA VAL 47 HA VAL 47 89.467 11.700 -0.383 384 HB VAL 47 HB VAL 47 87.864 12.567 -2.080 385 HG11 VAL 47 HG11 VAL 47 89.823 11.261 -2.795 386 HG12 VAL 47 HG12 VAL 47 88.445 10.926 -3.844 387 HG13 VAL 47 HG13 VAL 47 88.908 9.766 -2.599 388 HG21 VAL 47 HG21 VAL 47 86.062 11.178 -2.886 389 HG22 VAL 47 HG22 VAL 47 85.903 11.270 -1.132 390 HG23 VAL 47 HG23 VAL 47 86.584 9.826 -1.882 391 H GLN 48 HN GLN 48 86.847 13.275 -0.858 392 HA GLN 48 HA GLN 48 85.571 13.214 1.778 393 HB2 GLN 48 HB2 GLN 48 86.179 15.714 2.112 394 HB3 GLN 48 HB1 GLN 48 87.404 14.510 2.507 395 HG2 GLN 48 HG2 GLN 48 88.423 16.294 1.183 396 HG3 GLN 48 HG1 GLN 48 88.385 14.808 0.233 397 HE21 GLN 48 HE21 GLN 48 87.109 18.074 0.466 398 HE22 GLN 48 HE22 GLN 48 86.234 18.039 -0.988 399 H GLY 49 HN GLY 49 84.422 12.822 -0.700 400 HA2 GLY 49 HA2 GLY 49 82.934 15.381 -1.150 401 HA3 GLY 49 HA1 GLY 49 83.287 14.246 -2.454 402 H1U RCY 50 H1U RCY 50 81.953 5.771 4.112 403 H1S RCY 50 H1S RCY 50 80.608 8.928 1.974 404 HB1 RCY 50 HB1 RCY 50 80.495 11.044 -1.170 405 HB2 RCY 50 HB2 RCY 50 79.540 10.444 0.185 406 HA RCY 50 HA RCY 50 79.498 12.918 0.073 407 HN1 RCY 50 HN1 RCY 50 82.277 13.325 0.810 408 H GLY 51 HN GLY 51 82.032 11.534 2.200 409 HA2 GLY 51 HA2 GLY 51 80.432 10.992 4.436 410 HA3 GLY 51 HA1 GLY 51 82.129 11.461 4.547 411 H ASP 52 HN ASP 52 81.098 14.025 3.025 412 HA ASP 52 HA ASP 52 80.894 15.645 5.423 413 HB2 ASP 52 HB2 ASP 52 81.903 16.359 3.188 414 HB3 ASP 52 HB1 ASP 52 80.248 16.522 2.599 415 H ASP 53 HN ASP 53 78.601 14.694 2.859 416 HA ASP 53 HA ASP 53 76.378 15.899 4.417 417 HB2 ASP 53 HB2 ASP 53 75.013 15.394 2.429 418 HB3 ASP 53 HB1 ASP 53 76.462 16.292 1.973 419 H ILE 54 HN ILE 54 75.758 14.539 6.062 420 HA ILE 54 HA ILE 54 76.074 11.749 6.149 421 HB ILE 54 HB ILE 54 73.836 12.019 7.657 422 HG12 ILE 54 HG12 ILE 54 73.819 14.305 8.610 423 HG13 ILE 54 HG11 ILE 54 75.048 14.795 7.442 424 HG21 ILE 54 HG21 ILE 54 75.922 11.337 8.611 425 HG22 ILE 54 HG22 ILE 54 75.427 12.775 9.504 426 HG23 ILE 54 HG23 ILE 54 76.669 12.895 8.258 427 HD11 ILE 54 HD11 ILE 54 72.485 13.544 6.487 428 HD12 ILE 54 HD12 ILE 54 73.577 14.630 5.628 429 HD13 ILE 54 HD13 ILE 54 72.529 15.258 6.900 430 HA PRO 55 HA PRO 55 73.058 10.360 3.193 431 HB2 PRO 55 HB2 PRO 55 72.805 7.761 3.976 432 HB3 PRO 55 HB1 PRO 55 74.247 8.378 3.147 433 HG2 PRO 55 HG2 PRO 55 73.824 7.838 6.042 434 HG3 PRO 55 HG1 PRO 55 75.253 7.551 5.036 435 HD2 PRO 55 HD2 PRO 55 75.002 9.704 6.735 436 HD3 PRO 55 HD1 PRO 55 76.021 9.715 5.279 437 H GLY 56 HN GLY 56 72.287 8.668 6.257 438 HA2 GLY 56 HA2 GLY 56 69.673 10.052 6.363 439 HA3 GLY 56 HA1 GLY 56 69.636 8.298 6.179 440 H MET 57 HN MET 57 72.366 8.798 7.872 441 HA MET 57 HA MET 57 72.951 8.572 10.127 442 HB2 MET 57 HB2 MET 57 70.258 9.798 10.765 443 HB3 MET 57 HB1 MET 57 71.720 9.831 11.746 444 HG2 MET 57 HG2 MET 57 72.836 11.279 10.182 445 HG3 MET 57 HG1 MET 57 71.551 11.078 8.992 446 HE1 MET 57 HE1 MET 57 72.127 12.053 12.760 447 HE2 MET 57 HE2 MET 57 71.739 13.767 12.645 448 HE3 MET 57 HE3 MET 57 73.038 13.097 11.662 449 H GLU 58 HN GLU 58 70.002 7.252 8.912 450 HA GLU 58 HA GLU 58 69.521 5.588 11.293 451 HB2 GLU 58 HB2 GLU 58 68.241 5.563 8.541 452 HB3 GLU 58 HB1 GLU 58 67.698 4.609 9.922 453 HG2 GLU 58 HG2 GLU 58 67.955 7.617 10.057 454 HG3 GLU 58 HG1 GLU 58 66.472 6.827 9.517 455 H GLY 59 HN GLY 59 68.757 3.430 9.122 456 HA2 GLY 59 HA2 GLY 59 70.929 1.678 9.593 457 HA3 GLY 59 HA1 GLY 59 69.769 1.485 8.278 458 H1U RCY 60 H1U RCY 60 71.527 8.378 0.178 459 H1S RCY 60 H1S RCY 60 69.940 5.309 2.931 460 HB1 RCY 60 HB1 RCY 60 72.571 5.541 4.648 461 HB2 RCY 60 HB2 RCY 60 72.039 6.355 6.119 462 HA RCY 60 HA RCY 60 72.877 3.482 5.755 463 HN1 RCY 60 HN1 RCY 60 70.932 4.467 7.762 464 H GLY 61 HN GLY 61 74.776 5.237 5.463 465 HA2 GLY 61 HA2 GLY 61 76.662 6.296 6.406 466 HA3 GLY 61 HA1 GLY 61 75.779 6.405 7.929 467 H THR 62 HN THR 62 75.345 3.991 8.817 468 HA THR 62 HA THR 62 77.748 2.981 9.802 469 HB THR 62 HB THR 62 76.525 1.140 10.586 470 HG1 THR 62 HG1 THR 62 74.782 0.285 9.429 471 HG21 THR 62 HG21 THR 62 75.470 3.431 11.077 472 HG22 THR 62 HG22 THR 62 74.445 2.017 11.320 473 HG23 THR 62 HG23 THR 62 74.259 3.002 9.869 474 H ASP 63 HN ASP 63 79.470 2.314 8.613 475 HA ASP 63 HA ASP 63 79.503 1.577 5.917 476 HB2 ASP 63 HB2 ASP 63 81.547 2.015 7.226 477 HB3 ASP 63 HB1 ASP 63 81.300 0.514 8.119 478 H ILE 64 HN ILE 64 78.070 -0.134 8.465 479 HA ILE 64 HA ILE 64 78.304 -2.748 7.058 480 HB ILE 64 HB ILE 64 77.156 -2.030 9.771 481 HG12 ILE 64 HG12 ILE 64 79.614 -3.666 9.103 482 HG13 ILE 64 HG11 ILE 64 79.685 -1.930 9.411 483 HG21 ILE 64 HG21 ILE 64 77.239 -4.581 10.029 484 HG22 ILE 64 HG22 ILE 64 77.399 -4.646 8.273 485 HG23 ILE 64 HG23 ILE 64 75.956 -3.940 9.003 486 HD11 ILE 64 HD11 ILE 64 80.108 -3.458 11.426 487 HD12 ILE 64 HD12 ILE 64 78.391 -3.854 11.351 488 HD13 ILE 64 HD13 ILE 64 78.901 -2.191 11.645 489 H THR 65 HN THR 65 75.809 -0.581 8.409 490 HA THR 65 HA THR 65 73.545 -0.333 7.859 491 HB THR 65 HB THR 65 74.615 -1.213 5.163 492 HG1 THR 65 HG1 THR 65 74.602 1.134 6.616 493 HG21 THR 65 HG21 THR 65 71.932 -0.453 6.125 494 HG22 THR 65 HG22 THR 65 72.399 -1.341 4.675 495 HG23 THR 65 HG23 THR 65 72.472 0.421 4.692 496 H VAL 66 HN VAL 66 74.471 -2.941 8.849 497 HA VAL 66 HA VAL 66 73.520 -5.029 9.283 498 HB VAL 66 HB VAL 66 71.157 -4.135 7.626 499 HG11 VAL 66 HG11 VAL 66 71.122 -6.464 8.348 500 HG12 VAL 66 HG12 VAL 66 69.951 -5.549 9.298 501 HG13 VAL 66 HG13 VAL 66 71.507 -5.988 10.002 502 HG21 VAL 66 HG21 VAL 66 70.298 -3.312 9.900 503 HG22 VAL 66 HG22 VAL 66 71.521 -2.309 9.119 504 HG23 VAL 66 HG23 VAL 66 71.975 -3.385 10.441 505 H ILE 67 HN ILE 67 73.283 -3.929 5.888 506 HA ILE 67 HA ILE 67 73.827 -6.777 5.106 507 HB ILE 67 HB ILE 67 72.423 -4.656 3.460 508 HG12 ILE 67 HG12 ILE 67 71.240 -7.112 4.783 509 HG13 ILE 67 HG11 ILE 67 71.167 -5.503 5.501 510 HG21 ILE 67 HG21 ILE 67 73.048 -7.587 3.040 511 HG22 ILE 67 HG22 ILE 67 73.494 -6.227 2.010 512 HG23 ILE 67 HG23 ILE 67 71.810 -6.741 2.113 513 HD11 ILE 67 HD11 ILE 67 69.871 -4.646 3.686 514 HD12 ILE 67 HD12 ILE 67 69.136 -6.191 4.113 515 HD13 ILE 67 HD13 ILE 67 70.183 -6.073 2.698 516 H1U RCY 68 H1U RCY 68 74.626 -1.608 7.810 517 H1S RCY 68 H1S RCY 68 77.908 -1.498 5.477 518 HB1 RCY 68 HB1 RCY 68 79.105 -5.254 5.128 519 HB2 RCY 68 HB2 RCY 68 77.652 -4.473 5.744 520 HA RCY 68 HA RCY 68 77.210 -4.831 2.971 521 HN1 RCY 68 HN1 RCY 68 76.076 -6.449 5.217 522 HA PRO 69 HA PRO 69 79.369 -8.331 1.353 523 HB2 PRO 69 HB2 PRO 69 82.045 -7.760 2.301 524 HB3 PRO 69 HB1 PRO 69 81.395 -7.575 0.664 525 HG2 PRO 69 HG2 PRO 69 81.797 -5.564 2.740 526 HG3 PRO 69 HG1 PRO 69 81.587 -5.362 0.996 527 HD2 PRO 69 HD2 PRO 69 79.674 -4.631 2.805 528 HD3 PRO 69 HD1 PRO 69 79.278 -5.178 1.159 529 H TRP 70 HN TRP 70 79.458 -7.622 4.703 530 HA TRP 70 HA TRP 70 80.829 -10.087 5.493 531 HD1 TRP 70 HD1 TRP 70 79.222 -6.172 7.920 532 HE1 TRP 70 HE1 TRP 70 80.675 -4.226 7.060 533 HE3 TRP 70 HE3 TRP 70 82.569 -8.766 5.068 534 HZ2 TRP 70 HZ2 TRP 70 82.960 -3.821 5.380 535 HZ3 TRP 70 HZ3 TRP 70 84.369 -7.580 3.851 536 HH2 TRP 70 HH2 TRP 70 84.571 -5.115 4.002 537 HB2 TRP 70 HB2 TRP 70 79.065 -8.674 7.436 538 HB3 TRP 70 HB1 TRP 70 80.704 -9.284 7.646 539 H GLU 71 HN GLU 71 77.693 -9.255 4.446 540 HA GLU 71 HA GLU 71 76.748 -11.980 5.087 541 HB2 GLU 71 HB2 GLU 71 75.249 -9.487 5.956 542 HB3 GLU 71 HB1 GLU 71 74.633 -11.137 6.062 543 HG2 GLU 71 HG2 GLU 71 76.698 -11.679 7.461 544 HG3 GLU 71 HG1 GLU 71 76.981 -9.940 7.546 545 H ALA 72 HN ALA 72 76.674 -9.082 3.219 546 HA ALA 72 HA ALA 72 74.295 -9.758 1.678 547 HB1 ALA 72 HB1 ALA 72 76.421 -7.929 0.616 548 HB2 ALA 72 HB2 ALA 72 75.517 -7.433 2.046 549 HB3 ALA 72 HB3 ALA 72 74.666 -7.770 0.539 550 H1U RCY 73 H1U RCY 73 76.352 -5.839 1.639 551 H1S RCY 73 H1S RCY 73 77.384 -6.530 -2.485 552 HB1 RCY 73 HB1 RCY 73 75.621 -9.622 -3.308 553 HB2 RCY 73 HB2 RCY 73 76.886 -10.688 -3.919 554 HA RCY 73 HA RCY 73 75.920 -11.726 -1.958 555 HN1 RCY 73 HN1 RCY 73 75.543 -9.148 -0.939 556 H ASN 74 HN ASN 74 78.039 -9.928 0.029 557 HA ASN 74 HA ASN 74 80.110 -10.521 0.946 558 HB2 ASN 74 HB2 ASN 74 80.186 -13.053 -0.658 559 HB3 ASN 74 HB1 ASN 74 80.705 -12.766 1.002 560 HD21 ASN 74 HD21 ASN 74 78.175 -14.057 -0.874 561 HD22 ASN 74 HD22 ASN 74 76.985 -14.120 0.335 562 H HIS 75 HN HIS 75 82.260 -10.205 0.369 563 HA HIS 75 HA HIS 75 84.019 -9.484 -0.991 564 HD1 HIS 75 HD1 HIS 75 84.911 -10.674 0.056 565 HD2 HIS 75 HD2 HIS 75 84.612 -13.876 -2.600 566 HE1 HIS 75 HE1 HIS 75 86.282 -12.558 1.049 567 HE2 HIS 75 HE2 HIS 75 86.108 -14.513 -0.558 568 HB2 HIS 75 HB2 HIS 75 82.706 -11.590 -2.712 569 HB3 HIS 75 HB1 HIS 75 84.136 -10.715 -3.256 570 H1U RCY 76 H1U RCY 76 82.895 -5.744 2.287 571 H1S RCY 76 H1S RCY 76 81.760 -3.347 -1.032 572 HB1 RCY 76 HB1 RCY 76 83.830 -4.621 -3.109 573 HB2 RCY 76 HB2 RCY 76 83.227 -5.517 -1.716 574 HA RCY 76 HA RCY 76 82.115 -6.782 -3.991 575 HN1 RCY 76 HN1 RCY 76 84.372 -7.721 -2.260 576 H GLU 77 HN GLU 77 85.474 -5.675 -3.491 577 HA GLU 77 HA GLU 77 85.930 -5.217 -6.278 578 HB2 GLU 77 HB2 GLU 77 87.932 -5.731 -4.053 579 HB3 GLU 77 HB1 GLU 77 88.323 -5.066 -5.639 580 HG2 GLU 77 HG2 GLU 77 86.265 -3.784 -3.836 581 HG3 GLU 77 HG1 GLU 77 87.978 -3.372 -3.739 582 H LEU 78 HN LEU 78 88.617 -6.751 -6.088 583 HA LEU 78 HA LEU 78 89.431 -8.860 -6.713 584 HG LEU 78 HG LEU 78 88.296 -11.770 -5.011 585 HB2 LEU 78 HB2 LEU 78 87.452 -9.437 -4.900 586 HB3 LEU 78 HB1 LEU 78 86.851 -10.275 -6.327 587 HD11 LEU 78 HD11 LEU 78 88.290 -11.801 -7.555 588 HD12 LEU 78 HD12 LEU 78 89.720 -12.502 -6.798 589 HD13 LEU 78 HD13 LEU 78 89.793 -10.881 -7.488 590 HD21 LEU 78 HD21 LEU 78 90.328 -11.152 -4.174 591 HD22 LEU 78 HD22 LEU 78 89.711 -9.515 -4.401 592 HD23 LEU 78 HD23 LEU 78 90.755 -10.240 -5.623 593 H HIS 79 HN HIS 79 86.941 -7.198 -8.160 594 HA HIS 79 HA HIS 79 86.347 -7.105 -10.441 595 HD1 HIS 79 HD1 HIS 79 86.346 -9.606 -13.233 596 HD2 HIS 79 HD2 HIS 79 88.652 -6.194 -12.568 597 HE1 HIS 79 HE1 HIS 79 86.330 -8.297 -15.402 598 HE2 HIS 79 HE2 HIS 79 87.730 -6.218 -15.010 599 HB2 HIS 79 HB2 HIS 79 88.723 -8.300 -10.640 600 HB3 HIS 79 HB1 HIS 79 87.730 -9.700 -11.040 601 H GLU 80 HN GLU 80 85.667 -9.527 -8.241 602 HA GLU 80 HA GLU 80 83.989 -11.196 -9.940 603 HB2 GLU 80 HB2 GLU 80 84.966 -12.144 -7.915 604 HB3 GLU 80 HB1 GLU 80 84.172 -10.922 -6.923 605 HG2 GLU 80 HG2 GLU 80 82.974 -13.134 -6.940 606 HG3 GLU 80 HG1 GLU 80 81.981 -11.789 -7.502 607 H LEU 81 HN LEU 81 83.631 -8.142 -8.443 608 HA LEU 81 HA LEU 81 80.920 -8.026 -7.724 609 HG LEU 81 HG LEU 81 83.166 -6.688 -10.067 610 HB2 LEU 81 HB2 LEU 81 81.050 -5.614 -8.578 611 HB3 LEU 81 HB1 LEU 81 82.252 -6.075 -7.371 612 HD11 LEU 81 HD11 LEU 81 82.448 -3.817 -9.405 613 HD12 LEU 81 HD12 LEU 81 81.803 -4.781 -10.733 614 HD13 LEU 81 HD13 LEU 81 83.500 -4.299 -10.736 615 HD21 LEU 81 HD21 LEU 81 84.199 -4.861 -7.873 616 HD22 LEU 81 HD22 LEU 81 85.126 -5.401 -9.273 617 HD23 LEU 81 HD23 LEU 81 84.599 -6.568 -8.061 618 H ALA 82 HN ALA 82 82.320 -8.528 -10.836 619 HA ALA 82 HA ALA 82 80.242 -7.531 -12.510 620 HB1 ALA 82 HB1 ALA 82 82.509 -8.342 -13.268 621 HB2 ALA 82 HB2 ALA 82 81.164 -8.958 -14.227 622 HB3 ALA 82 HB3 ALA 82 81.934 -9.991 -13.023 623 H GLN 83 HN GLN 83 78.426 -8.208 -10.991 624 HA GLN 83 HA GLN 83 77.585 -11.032 -11.528 625 HB2 GLN 83 HB2 GLN 83 77.892 -10.446 -9.124 626 HB3 GLN 83 HB1 GLN 83 76.683 -9.175 -9.305 627 HG2 GLN 83 HG2 GLN 83 74.949 -10.652 -9.307 628 HG3 GLN 83 HG1 GLN 83 75.827 -11.826 -10.288 629 HE21 GLN 83 HE21 GLN 83 75.530 -13.688 -8.959 630 HE22 GLN 83 HE22 GLN 83 76.120 -13.799 -7.371 631 H TYR 84 HN TYR 84 77.222 -8.335 -13.036 632 HA TYR 84 HA TYR 84 74.577 -8.908 -14.017 633 HD1 TYR 84 HD1 TYR 84 72.730 -9.259 -11.765 634 HD2 TYR 84 HD2 TYR 84 72.624 -5.776 -14.278 635 HE1 TYR 84 HE1 TYR 84 70.335 -9.682 -12.251 636 HE2 TYR 84 HE2 TYR 84 70.229 -6.200 -14.764 637 HH TYR 84 HH TYR 84 68.401 -8.605 -13.032 638 HB2 TYR 84 HB2 TYR 84 74.500 -7.487 -11.666 639 HB3 TYR 84 HB1 TYR 84 74.510 -6.186 -12.854 640 H GLY 85 HN GLY 85 76.803 -6.134 -13.551 641 HA2 GLY 85 HA2 GLY 85 77.866 -5.944 -16.089 642 HA3 GLY 85 HA1 GLY 85 76.302 -5.142 -16.248 643 H ILE 86 HN ILE 86 76.375 -4.192 -13.432 644 HA ILE 86 HA ILE 86 78.037 -1.800 -13.925 645 HB ILE 86 HB ILE 86 76.206 -2.442 -11.586 646 HG12 ILE 86 HG12 ILE 86 75.619 -0.692 -13.987 647 HG13 ILE 86 HG11 ILE 86 75.130 -2.385 -13.900 648 HG21 ILE 86 HG21 ILE 86 77.830 -0.083 -12.425 649 HG22 ILE 86 HG22 ILE 86 77.439 -0.658 -10.804 650 HG23 ILE 86 HG23 ILE 86 76.237 0.233 -11.737 651 HD11 ILE 86 HD11 ILE 86 74.373 -0.260 -11.872 652 HD12 ILE 86 HD12 ILE 86 73.832 -1.939 -11.874 653 HD13 ILE 86 HD13 ILE 86 73.319 -0.845 -13.159 654 H1U RCY 87 H1U RCY 87 79.603 2.014 -3.298 655 H1S RCY 87 H1S RCY 87 81.158 0.425 -6.967 656 HB1 RCY 87 HB1 RCY 87 79.811 -0.407 -9.611 657 HB2 RCY 87 HB2 RCY 87 81.525 -0.544 -9.994 658 HA RCY 87 HA RCY 87 81.257 -2.551 -11.051 659 HN1 RCY 87 HN1 RCY 87 78.924 -1.035 -11.485 Start of MODEL 81 1 HA MET 1 HA MET 1 51.896 13.859 -5.574 2 HB2 MET 1 HB2 MET 1 50.929 11.530 -5.964 3 HB3 MET 1 HB1 MET 1 52.118 12.069 -7.149 4 HG2 MET 1 HG2 MET 1 53.816 10.699 -6.249 5 HG3 MET 1 HG1 MET 1 52.956 10.485 -4.724 6 HE1 MET 1 HE1 MET 1 52.691 10.209 -8.459 7 HE2 MET 1 HE2 MET 1 50.956 10.311 -8.171 8 HE3 MET 1 HE3 MET 1 51.653 8.817 -8.791 9 H ASN 2 HN ASN 2 53.687 12.275 -3.140 10 HA ASN 2 HA ASN 2 51.511 12.713 -1.214 11 HB2 ASN 2 HB2 ASN 2 52.603 9.948 -1.807 12 HB3 ASN 2 HB1 ASN 2 51.699 10.346 -0.345 13 HD21 ASN 2 HD21 ASN 2 51.419 9.792 -3.807 14 HD22 ASN 2 HD22 ASN 2 49.726 9.888 -3.876 15 H LEU 3 HN LEU 3 52.345 13.083 0.847 16 HA LEU 3 HA LEU 3 55.155 12.344 1.408 17 HG LEU 3 HG LEU 3 56.829 13.758 2.040 18 HB2 LEU 3 HB2 LEU 3 54.548 14.882 0.415 19 HB3 LEU 3 HB1 LEU 3 54.630 15.134 2.156 20 HD11 LEU 3 HD11 LEU 3 56.387 14.504 -0.862 21 HD12 LEU 3 HD12 LEU 3 56.658 12.893 -0.198 22 HD13 LEU 3 HD13 LEU 3 57.967 14.075 -0.206 23 HD21 LEU 3 HD21 LEU 3 56.950 16.080 2.574 24 HD22 LEU 3 HD22 LEU 3 56.477 16.555 0.943 25 HD23 LEU 3 HD23 LEU 3 58.071 15.857 1.230 26 H GLU 4 HN GLU 4 52.086 12.277 2.377 27 HA GLU 4 HA GLU 4 51.989 13.329 4.992 28 HB2 GLU 4 HB2 GLU 4 50.239 11.656 5.426 29 HB3 GLU 4 HB1 GLU 4 50.038 12.344 3.816 30 HG2 GLU 4 HG2 GLU 4 49.828 10.053 3.389 31 HG3 GLU 4 HG1 GLU 4 51.538 10.331 3.056 32 HA PRO 5 HA PRO 5 54.928 11.316 7.603 33 HB2 PRO 5 HB2 PRO 5 52.488 10.336 9.057 34 HB3 PRO 5 HB1 PRO 5 53.977 11.046 9.713 35 HG2 PRO 5 HG2 PRO 5 51.710 12.461 9.407 36 HG3 PRO 5 HG1 PRO 5 53.318 13.183 9.258 37 HD2 PRO 5 HD2 PRO 5 51.309 12.729 7.167 38 HD3 PRO 5 HD1 PRO 5 52.776 13.730 7.111 39 HA PRO 6 HA PRO 6 54.233 7.158 5.781 40 HB2 PRO 6 HB2 PRO 6 56.690 6.824 4.714 41 HB3 PRO 6 HB1 PRO 6 55.469 7.852 3.939 42 HG2 PRO 6 HG2 PRO 6 57.857 8.623 5.513 43 HG3 PRO 6 HG1 PRO 6 57.094 9.439 4.141 44 HD2 PRO 6 HD2 PRO 6 56.768 10.115 6.864 45 HD3 PRO 6 HD1 PRO 6 55.774 10.701 5.513 46 H LYS 7 HN LYS 7 54.486 5.308 6.985 47 HA LYS 7 HA LYS 7 56.666 5.257 9.030 48 HB2 LYS 7 HB2 LYS 7 54.342 5.083 9.888 49 HB3 LYS 7 HB1 LYS 7 54.105 3.639 8.904 50 HG2 LYS 7 HG2 LYS 7 55.731 2.407 10.138 51 HG3 LYS 7 HG1 LYS 7 56.347 3.863 10.920 52 HD2 LYS 7 HD2 LYS 7 54.903 2.568 12.453 53 HD3 LYS 7 HD1 LYS 7 54.205 4.149 12.100 54 HE2 LYS 7 HE2 LYS 7 52.583 3.245 10.648 55 HE3 LYS 7 HE1 LYS 7 53.470 1.733 10.454 56 HZ1 LYS 7 HZ1 LYS 7 52.199 2.661 12.973 57 HZ2 LYS 7 HZ2 LYS 7 53.012 1.187 12.746 58 HZ3 LYS 7 HZ3 LYS 7 51.555 1.491 11.927 59 H ALA 8 HN ALA 8 55.514 3.746 6.156 60 HA ALA 8 HA ALA 8 56.281 1.882 4.954 61 HB1 ALA 8 HB1 ALA 8 58.673 1.488 5.030 62 HB2 ALA 8 HB2 ALA 8 58.800 2.296 6.592 63 HB3 ALA 8 HB3 ALA 8 58.399 3.225 5.148 64 H GLU 9 HN GLU 9 55.167 0.074 5.595 65 HA GLU 9 HA GLU 9 55.628 -1.114 8.244 66 HB2 GLU 9 HB2 GLU 9 54.009 -2.288 5.973 67 HB3 GLU 9 HB1 GLU 9 53.839 -2.603 7.699 68 HG2 GLU 9 HG2 GLU 9 52.081 -1.092 7.211 69 HG3 GLU 9 HG1 GLU 9 53.338 -0.080 7.924 70 H1U RCY 10 H1U RCY 10 59.287 -6.434 1.115 71 H1S RCY 10 H1S RCY 10 58.568 -4.385 5.169 72 HB1 RCY 10 HB1 RCY 10 57.643 -5.717 8.161 73 HB2 RCY 10 HB2 RCY 10 58.246 -4.067 8.005 74 HA RCY 10 HA RCY 10 57.571 -4.412 5.462 75 HN1 RCY 10 HN1 RCY 10 55.191 -3.863 7.043 76 H ARG 11 HN ARG 11 55.012 -5.039 4.836 77 HA ARG 11 HA ARG 11 54.391 -7.764 5.763 78 HE ARG 11 HE ARG 11 50.316 -9.068 2.257 79 HB2 ARG 11 HB2 ARG 11 52.646 -5.974 5.228 80 HB3 ARG 11 HB1 ARG 11 53.039 -6.225 3.530 81 HG2 ARG 11 HG2 ARG 11 52.378 -8.591 5.262 82 HG3 ARG 11 HG1 ARG 11 51.075 -7.598 4.609 83 HD2 ARG 11 HD2 ARG 11 52.361 -7.878 2.340 84 HD3 ARG 11 HD1 ARG 11 53.098 -9.267 3.139 85 HH11 ARG 11 HH21 ARG 11 52.613 -10.518 4.380 86 HH12 ARG 11 HH22 ARG 11 51.678 -11.955 4.626 87 HH21 ARG 11 HH11 ARG 11 49.081 -10.936 2.566 88 HH22 ARG 11 HH12 ARG 11 49.678 -12.192 3.599 89 H SER 12 HN SER 12 54.720 -6.369 2.475 90 HA SER 12 HA SER 12 56.765 -8.213 1.661 91 HG SER 12 HG SER 12 56.167 -10.375 0.102 92 HB2 SER 12 HB2 SER 12 55.012 -9.898 1.829 93 HB3 SER 12 HB1 SER 12 53.918 -8.902 0.875 94 H ALA 13 HN ALA 13 54.163 -6.020 0.873 95 HA ALA 13 HA ALA 13 55.350 -5.479 -1.801 96 HB1 ALA 13 HB1 ALA 13 53.311 -4.241 -2.262 97 HB2 ALA 13 HB2 ALA 13 52.808 -4.365 -0.576 98 HB3 ALA 13 HB3 ALA 13 52.869 -5.810 -1.587 99 H THR 14 HN THR 14 54.362 -2.732 -1.840 100 HA THR 14 HA THR 14 55.322 -1.153 0.304 101 HB THR 14 HB THR 14 57.547 -1.804 0.071 102 HG1 THR 14 HG1 THR 14 57.707 0.023 -2.016 103 HG21 THR 14 HG21 THR 14 57.647 -3.328 -1.653 104 HG22 THR 14 HG22 THR 14 58.442 -1.965 -2.442 105 HG23 THR 14 HG23 THR 14 56.739 -2.297 -2.758 106 H ARG 15 HN ARG 15 53.344 -0.186 -0.607 107 HA ARG 15 HA ARG 15 53.569 1.129 -3.229 108 HE ARG 15 HE ARG 15 49.690 0.318 -5.171 109 HB2 ARG 15 HB2 ARG 15 51.431 0.895 -1.120 110 HB3 ARG 15 HB1 ARG 15 51.294 2.121 -2.380 111 HG2 ARG 15 HG2 ARG 15 51.524 0.370 -4.109 112 HG3 ARG 15 HG1 ARG 15 51.642 -0.856 -2.846 113 HD2 ARG 15 HD2 ARG 15 49.404 -0.884 -2.532 114 HD3 ARG 15 HD1 ARG 15 49.316 0.877 -2.492 115 HH11 ARG 15 HH21 ARG 15 47.541 -0.740 -2.692 116 HH12 ARG 15 HH22 ARG 15 46.221 -1.031 -3.776 117 HH21 ARG 15 HH11 ARG 15 47.979 -0.055 -6.601 118 HH22 ARG 15 HH12 ARG 15 46.469 -0.643 -5.989 119 H VAL 16 HN VAL 16 55.523 1.912 -1.251 120 HA VAL 16 HA VAL 16 54.758 4.399 -0.002 121 HB VAL 16 HB VAL 16 57.527 3.429 -0.775 122 HG11 VAL 16 HG11 VAL 16 58.096 4.881 1.272 123 HG12 VAL 16 HG12 VAL 16 56.484 5.570 1.084 124 HG13 VAL 16 HG13 VAL 16 57.669 5.734 -0.212 125 HG21 VAL 16 HG21 VAL 16 55.800 2.962 1.669 126 HG22 VAL 16 HG22 VAL 16 57.546 2.715 1.675 127 HG23 VAL 16 HG23 VAL 16 56.523 1.749 0.612 128 H MET 17 HN MET 17 57.575 4.670 -1.990 129 HA MET 17 HA MET 17 56.292 6.900 -3.451 130 HB2 MET 17 HB2 MET 17 58.594 7.064 -2.359 131 HB3 MET 17 HB1 MET 17 59.173 5.992 -3.634 132 HG2 MET 17 HG2 MET 17 58.530 7.571 -5.349 133 HG3 MET 17 HG1 MET 17 57.718 8.596 -4.166 134 HE1 MET 17 HE1 MET 17 58.677 10.717 -4.160 135 HE2 MET 17 HE2 MET 17 60.159 11.075 -3.276 136 HE3 MET 17 HE3 MET 17 58.868 10.170 -2.490 137 H GLY 18 HN GLY 18 58.699 4.523 -4.594 138 HA2 GLY 18 HA2 GLY 18 57.289 4.419 -7.186 139 HA3 GLY 18 HA1 GLY 18 58.858 3.693 -6.831 140 H GLY 19 HN GLY 19 56.049 2.696 -7.853 141 HA2 GLY 19 HA2 GLY 19 55.547 0.556 -5.873 142 HA3 GLY 19 HA1 GLY 19 54.580 0.877 -7.313 143 HA PRO 20 HA PRO 20 56.482 -2.303 -9.680 144 HB2 PRO 20 HB2 PRO 20 57.455 -0.296 -11.660 145 HB3 PRO 20 HB1 PRO 20 56.431 -1.722 -11.909 146 HG2 PRO 20 HG2 PRO 20 55.436 0.759 -11.940 147 HG3 PRO 20 HG1 PRO 20 54.515 -0.619 -11.314 148 HD2 PRO 20 HD2 PRO 20 55.843 1.593 -9.813 149 HD3 PRO 20 HD1 PRO 20 54.394 0.654 -9.394 150 H1U RCY 21 H1U RCY 21 59.148 -0.083 -3.980 151 H1S RCY 21 H1S RCY 21 61.373 -1.337 -7.839 152 HB1 RCY 21 HB1 RCY 21 61.885 -3.533 -10.880 153 HB2 RCY 21 HB2 RCY 21 60.248 -3.930 -10.360 154 HA RCY 21 HA RCY 21 60.959 -1.224 -9.563 155 HN1 RCY 21 HN1 RCY 21 58.775 -2.020 -11.427 156 H THR 22 HN THR 22 61.557 0.524 -10.867 157 HA THR 22 HA THR 22 62.733 -0.202 -13.509 158 HB THR 22 HB THR 22 61.839 2.038 -14.355 159 HG1 THR 22 HG1 THR 22 61.045 3.100 -12.698 160 HG21 THR 22 HG21 THR 22 59.535 1.073 -14.753 161 HG22 THR 22 HG22 THR 22 59.973 -0.243 -13.665 162 HG23 THR 22 HG23 THR 22 60.866 -0.007 -15.167 163 HA PRO 23 HA PRO 23 65.959 1.859 -10.956 164 HB2 PRO 23 HB2 PRO 23 67.415 1.227 -13.497 165 HB3 PRO 23 HB1 PRO 23 67.928 0.987 -11.815 166 HG2 PRO 23 HG2 PRO 23 67.092 -1.047 -13.309 167 HG3 PRO 23 HG1 PRO 23 66.704 -0.952 -11.583 168 HD2 PRO 23 HD2 PRO 23 64.926 -0.496 -13.938 169 HD3 PRO 23 HD1 PRO 23 64.521 -1.105 -12.317 170 H ARG 24 HN ARG 24 66.217 4.054 -10.921 171 HA ARG 24 HA ARG 24 66.773 5.561 -13.357 172 HE ARG 24 HE ARG 24 62.536 7.528 -9.322 173 HB2 ARG 24 HB2 ARG 24 64.787 7.064 -13.111 174 HB3 ARG 24 HB1 ARG 24 64.356 5.423 -13.588 175 HG2 ARG 24 HG2 ARG 24 63.210 5.052 -11.668 176 HG3 ARG 24 HG1 ARG 24 64.483 5.766 -10.677 177 HD2 ARG 24 HD2 ARG 24 63.683 8.031 -11.335 178 HD3 ARG 24 HD1 ARG 24 62.366 7.279 -12.236 179 HH11 ARG 24 HH21 ARG 24 61.232 5.877 -12.054 180 HH12 ARG 24 HH22 ARG 24 59.836 5.300 -11.206 181 HH21 ARG 24 HH11 ARG 24 60.721 6.784 -8.199 182 HH22 ARG 24 HH12 ARG 24 59.547 5.813 -9.024 183 H LYS 25 HN LYS 25 68.582 5.662 -11.609 184 HA LYS 25 HA LYS 25 69.738 6.915 -9.994 185 HB2 LYS 25 HB2 LYS 25 67.776 9.050 -10.895 186 HB3 LYS 25 HB1 LYS 25 69.270 9.335 -10.007 187 HG2 LYS 25 HG2 LYS 25 69.940 9.711 -12.221 188 HG3 LYS 25 HG1 LYS 25 70.391 8.022 -11.979 189 HD2 LYS 25 HD2 LYS 25 68.563 7.223 -13.218 190 HD3 LYS 25 HD1 LYS 25 67.662 8.730 -13.038 191 HE2 LYS 25 HE2 LYS 25 70.284 8.636 -14.531 192 HE3 LYS 25 HE1 LYS 25 68.755 8.276 -15.333 193 HZ1 LYS 25 HZ1 LYS 25 69.050 10.725 -13.723 194 HZ2 LYS 25 HZ2 LYS 25 67.975 10.404 -14.999 195 HZ3 LYS 25 HZ3 LYS 25 69.620 10.683 -15.321 196 H GLY 26 HN GLY 26 66.716 8.674 -9.509 197 HA2 GLY 26 HA2 GLY 26 65.083 8.274 -7.767 198 HA3 GLY 26 HA1 GLY 26 66.230 7.189 -6.980 199 HA PRO 27 HA PRO 27 66.039 11.807 -5.332 200 HB2 PRO 27 HB2 PRO 27 65.407 10.152 -2.915 201 HB3 PRO 27 HB1 PRO 27 64.811 11.762 -3.363 202 HG2 PRO 27 HG2 PRO 27 63.324 9.559 -3.672 203 HG3 PRO 27 HG1 PRO 27 63.229 10.929 -4.790 204 HD2 PRO 27 HD2 PRO 27 64.388 8.238 -5.230 205 HD3 PRO 27 HD1 PRO 27 63.804 9.423 -6.419 206 HA PRO 28 HA PRO 28 70.351 11.453 -4.239 207 HB2 PRO 28 HB2 PRO 28 69.563 13.288 -2.000 208 HB3 PRO 28 HB1 PRO 28 70.921 13.417 -3.135 209 HG2 PRO 28 HG2 PRO 28 68.684 14.873 -3.406 210 HG3 PRO 28 HG1 PRO 28 69.628 14.310 -4.794 211 HD2 PRO 28 HD2 PRO 28 66.964 13.423 -3.876 212 HD3 PRO 28 HD1 PRO 28 67.726 13.234 -5.469 213 H LYS 29 HN LYS 29 71.320 9.845 -3.052 214 HA LYS 29 HA LYS 29 69.861 8.705 -0.748 215 HB2 LYS 29 HB2 LYS 29 71.029 7.365 -2.652 216 HB3 LYS 29 HB1 LYS 29 72.521 7.731 -1.788 217 HG2 LYS 29 HG2 LYS 29 71.942 5.728 -0.769 218 HG3 LYS 29 HG1 LYS 29 71.131 6.869 0.304 219 HD2 LYS 29 HD2 LYS 29 69.097 6.610 -1.267 220 HD3 LYS 29 HD1 LYS 29 69.927 5.184 -1.891 221 HE2 LYS 29 HE2 LYS 29 68.807 5.672 0.851 222 HE3 LYS 29 HE1 LYS 29 68.644 4.252 -0.182 223 HZ1 LYS 29 HZ1 LYS 29 70.806 5.003 1.619 224 HZ2 LYS 29 HZ2 LYS 29 71.257 4.257 0.161 225 HZ3 LYS 29 HZ3 LYS 29 70.201 3.467 1.232 226 H1U RCY 30 H1U RCY 30 73.084 7.983 3.884 227 H1S RCY 30 H1S RCY 30 75.627 11.821 2.336 228 HB1 RCY 30 HB1 RCY 30 72.545 13.407 0.066 229 HB2 RCY 30 HB2 RCY 30 73.950 12.484 -0.468 230 HA RCY 30 HA RCY 30 73.505 10.784 1.252 231 HN1 RCY 30 HN1 RCY 30 71.364 11.367 -0.711 232 H LYS 31 HN LYS 31 71.029 10.023 2.219 233 HA LYS 31 HA LYS 31 70.489 12.128 4.279 234 HB2 LYS 31 HB2 LYS 31 68.672 11.000 2.363 235 HB3 LYS 31 HB1 LYS 31 68.193 10.435 3.961 236 HG2 LYS 31 HG2 LYS 31 67.059 12.503 3.698 237 HG3 LYS 31 HG1 LYS 31 68.450 12.888 4.713 238 HD2 LYS 31 HD2 LYS 31 69.689 13.497 2.575 239 HD3 LYS 31 HD1 LYS 31 68.137 13.385 1.744 240 HE2 LYS 31 HE2 LYS 31 68.344 15.679 2.320 241 HE3 LYS 31 HE1 LYS 31 67.254 15.009 3.534 242 HZ1 LYS 31 HZ1 LYS 31 70.088 14.872 4.153 243 HZ2 LYS 31 HZ2 LYS 31 68.769 15.241 5.159 244 HZ3 LYS 31 HZ3 LYS 31 69.416 16.430 4.132 245 H GLN 32 HN GLN 32 72.145 9.502 4.053 246 HA GLN 32 HA GLN 32 70.842 7.862 6.133 247 HB2 GLN 32 HB2 GLN 32 73.422 7.553 4.581 248 HB3 GLN 32 HB1 GLN 32 72.917 6.435 5.848 249 HG2 GLN 32 HG2 GLN 32 71.184 7.117 3.461 250 HG3 GLN 32 HG1 GLN 32 72.280 5.735 3.493 251 HE21 GLN 32 HE21 GLN 32 69.219 6.967 4.685 252 HE22 GLN 32 HE22 GLN 32 68.758 5.561 5.517 253 H ARG 33 HN ARG 33 73.509 10.100 5.765 254 HA ARG 33 HA ARG 33 74.963 11.046 7.348 255 HE ARG 33 HE ARG 33 74.126 14.809 11.149 256 HB2 ARG 33 HB2 ARG 33 72.491 11.560 8.171 257 HB3 ARG 33 HB1 ARG 33 72.937 10.475 9.487 258 HG2 ARG 33 HG2 ARG 33 74.934 11.855 9.950 259 HG3 ARG 33 HG1 ARG 33 74.479 12.947 8.641 260 HD2 ARG 33 HD2 ARG 33 72.168 12.970 10.007 261 HD3 ARG 33 HD1 ARG 33 73.263 12.615 11.342 262 HH11 ARG 33 HH21 ARG 33 72.287 13.867 8.389 263 HH12 ARG 33 HH22 ARG 33 72.304 15.444 7.673 264 HH21 ARG 33 HH11 ARG 33 74.159 16.874 10.230 265 HH22 ARG 33 HH12 ARG 33 73.365 17.146 8.716 266 H GLN 34 HN GLN 34 74.340 7.879 7.254 267 HA GLN 34 HA GLN 34 74.931 6.005 8.625 268 HB2 GLN 34 HB2 GLN 34 77.392 5.808 8.595 269 HB3 GLN 34 HB1 GLN 34 76.774 6.400 7.054 270 HG2 GLN 34 HG2 GLN 34 77.247 8.740 7.823 271 HG3 GLN 34 HG1 GLN 34 77.999 8.070 9.271 272 HE21 GLN 34 HE21 GLN 34 79.825 9.459 7.974 273 HE22 GLN 34 HE22 GLN 34 80.828 8.513 6.985 274 H THR 35 HN THR 35 73.886 7.925 10.386 275 HA THR 35 HA THR 35 75.674 8.645 12.502 276 HB THR 35 HB THR 35 73.421 8.595 13.854 277 HG1 THR 35 HG1 THR 35 72.033 8.886 11.576 278 HG21 THR 35 HG21 THR 35 74.285 10.698 13.223 279 HG22 THR 35 HG22 THR 35 72.676 10.673 12.503 280 HG23 THR 35 HG23 THR 35 74.094 10.358 11.503 281 H ARG 36 HN ARG 36 74.344 5.620 11.567 282 HA ARG 36 HA ARG 36 74.618 4.424 14.250 283 HE ARG 36 HE ARG 36 70.428 5.072 13.902 284 HB2 ARG 36 HB2 ARG 36 74.012 3.129 11.573 285 HB3 ARG 36 HB1 ARG 36 73.880 2.351 13.149 286 HG2 ARG 36 HG2 ARG 36 72.402 4.919 12.686 287 HG3 ARG 36 HG1 ARG 36 71.744 3.428 12.009 288 HD2 ARG 36 HD2 ARG 36 71.538 2.418 14.145 289 HD3 ARG 36 HD1 ARG 36 72.595 3.610 14.901 290 HH11 ARG 36 HH21 ARG 36 70.991 2.434 16.049 291 HH12 ARG 36 HH22 ARG 36 69.626 2.789 17.055 292 HH21 ARG 36 HH11 ARG 36 68.643 5.551 15.203 293 HH22 ARG 36 HH12 ARG 36 68.297 4.553 16.576 294 H GLN 37 HN GLN 37 76.476 4.788 11.327 295 HA GLN 37 HA GLN 37 78.629 4.049 10.762 296 HB2 GLN 37 HB2 GLN 37 78.945 5.159 13.093 297 HB3 GLN 37 HB1 GLN 37 79.065 3.508 13.699 298 HG2 GLN 37 HG2 GLN 37 80.842 3.103 11.930 299 HG3 GLN 37 HG1 GLN 37 80.829 4.842 11.633 300 HE21 GLN 37 HE21 GLN 37 80.807 6.055 14.028 301 HE22 GLN 37 HE22 GLN 37 82.067 5.527 15.036 302 H1U RCY 38 H1U RCY 38 84.103 -0.845 5.524 303 H1S RCY 38 H1S RCY 38 82.664 -0.128 9.547 304 HB1 RCY 38 HB1 RCY 38 80.111 -1.407 11.097 305 HB2 RCY 38 HB2 RCY 38 81.219 -0.602 12.207 306 HA RCY 38 HA RCY 38 78.250 -0.379 11.988 307 HN1 RCY 38 HN1 RCY 38 79.744 2.005 12.976 308 H LYS 39 HN LYS 39 81.250 -0.072 13.892 309 HA LYS 39 HA LYS 39 79.985 -0.401 16.447 310 HB2 LYS 39 HB2 LYS 39 79.558 -2.676 15.408 311 HB3 LYS 39 HB1 LYS 39 81.303 -2.916 15.383 312 HG2 LYS 39 HG2 LYS 39 81.465 -2.916 17.731 313 HG3 LYS 39 HG1 LYS 39 79.902 -2.121 17.929 314 HD2 LYS 39 HD2 LYS 39 80.179 -4.880 16.721 315 HD3 LYS 39 HD1 LYS 39 79.945 -4.620 18.450 316 HE2 LYS 39 HE2 LYS 39 77.731 -4.718 17.897 317 HE3 LYS 39 HE1 LYS 39 77.980 -3.030 17.450 318 HZ1 LYS 39 HZ1 LYS 39 78.644 -5.043 15.449 319 HZ2 LYS 39 HZ2 LYS 39 77.951 -3.504 15.256 320 HZ3 LYS 39 HZ3 LYS 39 76.996 -4.810 15.776 321 H SER 40 HN SER 40 82.887 -2.172 15.412 322 HA SER 40 HA SER 40 84.886 -0.282 15.693 323 HG SER 40 HG SER 40 86.448 -0.771 17.847 324 HB2 SER 40 HB2 SER 40 84.477 0.492 17.820 325 HB3 SER 40 HB1 SER 40 83.655 -0.987 18.309 326 H LYS 41 HN LYS 41 85.659 -2.000 14.253 327 HA LYS 41 HA LYS 41 86.955 -4.223 15.786 328 HB2 LYS 41 HB2 LYS 41 86.648 -5.494 13.498 329 HB3 LYS 41 HB1 LYS 41 85.313 -5.432 14.646 330 HG2 LYS 41 HG2 LYS 41 85.568 -3.230 12.631 331 HG3 LYS 41 HG1 LYS 41 84.927 -4.786 12.104 332 HD2 LYS 41 HD2 LYS 41 83.008 -4.569 13.339 333 HD3 LYS 41 HD1 LYS 41 83.821 -3.696 14.639 334 HE2 LYS 41 HE2 LYS 41 82.241 -2.240 13.389 335 HE3 LYS 41 HE1 LYS 41 83.905 -1.671 13.263 336 HZ1 LYS 41 HZ1 LYS 41 82.148 -2.646 11.216 337 HZ2 LYS 41 HZ2 LYS 41 83.669 -3.401 11.190 338 HZ3 LYS 41 HZ3 LYS 41 83.556 -1.710 11.079 339 HA PRO 42 HA PRO 42 90.635 -2.801 13.778 340 HB2 PRO 42 HB2 PRO 42 92.130 -5.090 13.739 341 HB3 PRO 42 HB1 PRO 42 91.800 -4.179 15.226 342 HG2 PRO 42 HG2 PRO 42 90.495 -6.651 14.201 343 HG3 PRO 42 HG1 PRO 42 90.960 -6.221 15.856 344 HD2 PRO 42 HD2 PRO 42 88.386 -6.024 14.930 345 HD3 PRO 42 HD1 PRO 42 89.036 -4.988 16.220 346 HA PRO 43 HA PRO 43 90.526 -3.629 9.433 347 HB2 PRO 43 HB2 PRO 43 93.221 -3.593 8.789 348 HB3 PRO 43 HB1 PRO 43 92.239 -2.142 9.062 349 HG2 PRO 43 HG2 PRO 43 94.121 -3.521 10.904 350 HG3 PRO 43 HG1 PRO 43 93.832 -1.789 10.669 351 HD2 PRO 43 HD2 PRO 43 92.809 -3.143 12.792 352 HD3 PRO 43 HD1 PRO 43 91.955 -1.774 12.043 353 H LYS 44 HN LYS 44 91.271 -5.188 7.731 354 HA LYS 44 HA LYS 44 92.103 -7.281 6.990 355 HB2 LYS 44 HB2 LYS 44 93.660 -7.036 9.139 356 HB3 LYS 44 HB1 LYS 44 92.572 -8.267 9.781 357 HG2 LYS 44 HG2 LYS 44 94.162 -9.609 8.751 358 HG3 LYS 44 HG1 LYS 44 93.007 -9.413 7.431 359 HD2 LYS 44 HD2 LYS 44 95.073 -8.912 6.417 360 HD3 LYS 44 HD1 LYS 44 94.415 -7.321 6.802 361 HE2 LYS 44 HE2 LYS 44 95.741 -7.999 9.128 362 HE3 LYS 44 HE1 LYS 44 96.790 -8.669 7.880 363 HZ1 LYS 44 HZ1 LYS 44 96.053 -5.885 8.395 364 HZ2 LYS 44 HZ2 LYS 44 96.319 -6.349 6.782 365 HZ3 LYS 44 HZ3 LYS 44 97.549 -6.542 7.939 366 H LYS 45 HN LYS 45 90.628 -7.885 10.210 367 HA LYS 45 HA LYS 45 88.440 -9.348 8.776 368 HB2 LYS 45 HB2 LYS 45 88.465 -10.823 10.924 369 HB3 LYS 45 HB1 LYS 45 89.699 -11.107 9.697 370 HG2 LYS 45 HG2 LYS 45 91.350 -9.912 10.937 371 HG3 LYS 45 HG1 LYS 45 90.142 -9.231 12.026 372 HD2 LYS 45 HD2 LYS 45 90.380 -12.210 11.843 373 HD3 LYS 45 HD1 LYS 45 91.594 -11.323 12.766 374 HE2 LYS 45 HE2 LYS 45 88.592 -11.184 13.181 375 HE3 LYS 45 HE1 LYS 45 89.747 -11.999 14.235 376 HZ1 LYS 45 HZ1 LYS 45 89.133 -9.193 13.999 377 HZ2 LYS 45 HZ2 LYS 45 90.798 -9.531 14.024 378 HZ3 LYS 45 HZ3 LYS 45 89.803 -10.051 15.300 379 H GLY 46 HN GLY 46 86.472 -8.542 9.273 380 HA2 GLY 46 HA2 GLY 46 86.217 -6.678 11.554 381 HA3 GLY 46 HA1 GLY 46 85.009 -6.939 10.294 382 H VAL 47 HN VAL 47 85.539 -7.441 13.506 383 HA VAL 47 HA VAL 47 84.708 -10.130 13.941 384 HB VAL 47 HB VAL 47 84.110 -7.719 15.682 385 HG11 VAL 47 HG11 VAL 47 82.842 -9.689 16.346 386 HG12 VAL 47 HG12 VAL 47 84.158 -9.448 17.494 387 HG13 VAL 47 HG13 VAL 47 84.289 -10.693 16.252 388 HG21 VAL 47 HG21 VAL 47 86.515 -9.569 15.571 389 HG22 VAL 47 HG22 VAL 47 86.223 -8.382 16.843 390 HG23 VAL 47 HG23 VAL 47 86.501 -7.848 15.185 391 H GLN 48 HN GLN 48 82.789 -7.130 13.648 392 HA GLN 48 HA GLN 48 80.561 -8.557 12.489 393 HB2 GLN 48 HB2 GLN 48 80.426 -9.192 14.956 394 HB3 GLN 48 HB1 GLN 48 80.080 -7.493 15.280 395 HG2 GLN 48 HG2 GLN 48 78.238 -7.767 13.452 396 HG3 GLN 48 HG1 GLN 48 78.427 -9.494 13.755 397 HE21 GLN 48 HE21 GLN 48 77.684 -6.399 15.414 398 HE22 GLN 48 HE22 GLN 48 76.809 -7.111 16.682 399 H GLY 49 HN GLY 49 81.738 -6.431 11.411 400 HA2 GLY 49 HA2 GLY 49 79.653 -4.454 11.289 401 HA3 GLY 49 HA1 GLY 49 81.015 -3.836 12.224 402 H1U RCY 50 H1U RCY 50 82.558 -0.468 2.135 403 H1S RCY 50 H1S RCY 50 83.043 -2.919 6.272 404 HB1 RCY 50 HB1 RCY 50 81.577 -4.071 7.220 405 HB2 RCY 50 HB2 RCY 50 81.604 -5.817 7.455 406 HA RCY 50 HA RCY 50 83.969 -5.457 8.434 407 HN1 RCY 50 HN1 RCY 50 82.584 -5.837 10.295 408 H GLY 51 HN GLY 51 84.873 -3.731 10.083 409 HA2 GLY 51 HA2 GLY 51 84.449 -0.965 9.081 410 HA3 GLY 51 HA1 GLY 51 85.275 -1.395 10.579 411 H ASP 52 HN ASP 52 86.862 0.212 9.529 412 HA ASP 52 HA ASP 52 89.073 -1.316 8.413 413 HB2 ASP 52 HB2 ASP 52 87.531 -0.748 6.425 414 HB3 ASP 52 HB1 ASP 52 88.024 0.927 6.680 415 H ASP 53 HN ASP 53 87.808 1.192 10.161 416 HA ASP 53 HA ASP 53 88.789 2.983 11.310 417 HB2 ASP 53 HB2 ASP 53 90.562 1.096 11.616 418 HB3 ASP 53 HB1 ASP 53 91.488 1.983 10.405 419 H ILE 54 HN ILE 54 88.817 2.615 8.066 420 HA ILE 54 HA ILE 54 89.839 5.385 7.650 421 HB ILE 54 HB ILE 54 90.481 2.980 5.919 422 HG12 ILE 54 HG12 ILE 54 92.307 4.846 7.463 423 HG13 ILE 54 HG11 ILE 54 91.815 3.251 8.034 424 HG21 ILE 54 HG21 ILE 54 90.090 4.913 4.510 425 HG22 ILE 54 HG22 ILE 54 91.832 4.667 4.628 426 HG23 ILE 54 HG23 ILE 54 91.055 5.936 5.573 427 HD11 ILE 54 HD11 ILE 54 92.811 2.216 6.034 428 HD12 ILE 54 HD12 ILE 54 94.017 3.158 6.911 429 HD13 ILE 54 HD13 ILE 54 93.289 3.807 5.442 430 HA PRO 55 HA PRO 55 85.756 5.001 5.649 431 HB2 PRO 55 HB2 PRO 55 84.974 7.579 5.999 432 HB3 PRO 55 HB1 PRO 55 84.895 6.376 7.301 433 HG2 PRO 55 HG2 PRO 55 86.863 8.550 6.857 434 HG3 PRO 55 HG1 PRO 55 86.217 7.899 8.371 435 HD2 PRO 55 HD2 PRO 55 88.715 7.263 7.285 436 HD3 PRO 55 HD1 PRO 55 87.861 6.310 8.517 437 H GLY 56 HN GLY 56 84.805 6.116 3.705 438 HA2 GLY 56 HA2 GLY 56 85.024 7.008 1.543 439 HA3 GLY 56 HA1 GLY 56 86.246 8.090 2.216 440 H MET 57 HN MET 57 87.111 4.974 2.961 441 HA MET 57 HA MET 57 89.187 3.970 2.303 442 HB2 MET 57 HB2 MET 57 88.672 2.698 0.120 443 HB3 MET 57 HB1 MET 57 87.597 2.423 1.489 444 HG2 MET 57 HG2 MET 57 87.000 4.563 -0.553 445 HG3 MET 57 HG1 MET 57 86.505 2.891 -0.812 446 HE1 MET 57 HE1 MET 57 84.181 2.592 -0.650 447 HE2 MET 57 HE2 MET 57 84.100 4.315 -1.008 448 HE3 MET 57 HE3 MET 57 83.063 3.631 0.242 449 H GLU 58 HN GLU 58 88.847 4.060 -1.020 450 HA GLU 58 HA GLU 58 90.897 6.235 -1.219 451 HB2 GLU 58 HB2 GLU 58 91.500 3.828 -1.884 452 HB3 GLU 58 HB1 GLU 58 90.411 4.053 -3.253 453 HG2 GLU 58 HG2 GLU 58 92.542 4.669 -4.090 454 HG3 GLU 58 HG1 GLU 58 91.748 6.204 -3.734 455 H GLY 59 HN GLY 59 87.816 5.062 -2.388 456 HA2 GLY 59 HA2 GLY 59 86.880 7.543 -3.287 457 HA3 GLY 59 HA1 GLY 59 87.642 6.792 -4.690 458 H1U RCY 60 H1U RCY 60 79.401 4.410 0.558 459 H1S RCY 60 H1S RCY 60 81.718 7.763 -1.289 460 HB1 RCY 60 HB1 RCY 60 83.200 4.556 -3.158 461 HB2 RCY 60 HB2 RCY 60 81.863 5.297 -4.039 462 HA RCY 60 HA RCY 60 84.031 4.424 -5.318 463 HN1 RCY 60 HN1 RCY 60 85.130 7.088 -5.209 464 H GLY 61 HN GLY 61 84.467 7.326 -6.600 465 HA2 GLY 61 HA2 GLY 61 83.410 8.585 -8.275 466 HA3 GLY 61 HA1 GLY 61 82.742 7.033 -8.784 467 H THR 62 HN THR 62 80.571 7.113 -8.919 468 HA THR 62 HA THR 62 79.041 8.337 -6.693 469 HB THR 62 HB THR 62 77.763 9.773 -8.086 470 HG1 THR 62 HG1 THR 62 77.317 9.018 -9.977 471 HG21 THR 62 HG21 THR 62 80.588 9.891 -9.177 472 HG22 THR 62 HG22 THR 62 80.085 10.568 -7.628 473 HG23 THR 62 HG23 THR 62 79.425 11.216 -9.130 474 H ASP 63 HN ASP 63 77.010 7.980 -9.273 475 HA ASP 63 HA ASP 63 75.820 5.574 -8.204 476 HB2 ASP 63 HB2 ASP 63 75.328 7.061 -10.799 477 HB3 ASP 63 HB1 ASP 63 74.331 5.734 -10.206 478 H ILE 64 HN ILE 64 78.615 5.225 -9.069 479 HA ILE 64 HA ILE 64 78.155 2.887 -10.820 480 HB ILE 64 HB ILE 64 78.968 3.889 -12.676 481 HG12 ILE 64 HG12 ILE 64 81.476 4.443 -11.061 482 HG13 ILE 64 HG11 ILE 64 81.091 2.878 -11.777 483 HG21 ILE 64 HG21 ILE 64 79.688 6.184 -10.829 484 HG22 ILE 64 HG22 ILE 64 78.244 6.047 -11.832 485 HG23 ILE 64 HG23 ILE 64 79.825 6.250 -12.586 486 HD11 ILE 64 HD11 ILE 64 82.538 4.039 -13.320 487 HD12 ILE 64 HD12 ILE 64 81.545 5.494 -13.235 488 HD13 ILE 64 HD13 ILE 64 80.916 4.041 -14.012 489 H THR 65 HN THR 65 80.527 4.797 -8.967 490 HA THR 65 HA THR 65 82.525 4.053 -7.939 491 HB THR 65 HB THR 65 80.769 3.597 -6.246 492 HG1 THR 65 HG1 THR 65 82.364 1.329 -6.112 493 HG21 THR 65 HG21 THR 65 79.984 1.189 -6.069 494 HG22 THR 65 HG22 THR 65 80.635 0.941 -7.689 495 HG23 THR 65 HG23 THR 65 79.325 2.093 -7.432 496 H VAL 66 HN VAL 66 82.431 3.184 -10.550 497 HA VAL 66 HA VAL 66 83.661 1.721 -11.910 498 HB VAL 66 HB VAL 66 84.061 -0.117 -9.543 499 HG11 VAL 66 HG11 VAL 66 86.077 -0.738 -10.747 500 HG12 VAL 66 HG12 VAL 66 85.815 0.548 -11.925 501 HG13 VAL 66 HG13 VAL 66 84.713 -0.827 -11.861 502 HG21 VAL 66 HG21 VAL 66 86.328 1.314 -9.507 503 HG22 VAL 66 HG22 VAL 66 84.926 1.777 -8.542 504 HG23 VAL 66 HG23 VAL 66 85.238 2.575 -10.083 505 H ILE 67 HN ILE 67 81.906 -0.176 -9.441 506 HA ILE 67 HA ILE 67 80.185 -1.252 -11.616 507 HB ILE 67 HB ILE 67 81.708 -2.891 -9.572 508 HG12 ILE 67 HG12 ILE 67 82.865 -2.344 -11.704 509 HG13 ILE 67 HG11 ILE 67 82.519 -4.069 -11.571 510 HG21 ILE 67 HG21 ILE 67 79.141 -3.391 -10.964 511 HG22 ILE 67 HG22 ILE 67 79.772 -4.100 -9.477 512 HG23 ILE 67 HG23 ILE 67 80.313 -4.707 -11.042 513 HD11 ILE 67 HD11 ILE 67 80.244 -3.255 -12.777 514 HD12 ILE 67 HD12 ILE 67 81.675 -3.753 -13.679 515 HD13 ILE 67 HD13 ILE 67 81.356 -2.040 -13.407 516 H1U RCY 68 H1U RCY 68 75.813 -2.356 -3.412 517 H1S RCY 68 H1S RCY 68 73.928 -0.589 -7.375 518 HB1 RCY 68 HB1 RCY 68 76.675 1.279 -10.215 519 HB2 RCY 68 HB2 RCY 68 77.309 1.631 -8.608 520 HA RCY 68 HA RCY 68 77.529 -0.655 -8.066 521 HN1 RCY 68 HN1 RCY 68 78.279 -0.320 -10.939 522 HA PRO 69 HA PRO 69 74.748 -3.930 -9.143 523 HB2 PRO 69 HB2 PRO 69 72.564 -3.012 -7.538 524 HB3 PRO 69 HB1 PRO 69 73.763 -4.245 -7.119 525 HG2 PRO 69 HG2 PRO 69 73.615 -1.428 -6.318 526 HG3 PRO 69 HG1 PRO 69 74.425 -2.789 -5.530 527 HD2 PRO 69 HD2 PRO 69 75.784 -0.798 -6.831 528 HD3 PRO 69 HD1 PRO 69 76.400 -2.461 -6.696 529 H TRP 70 HN TRP 70 74.177 -0.636 -9.734 530 HA TRP 70 HA TRP 70 71.557 -0.743 -10.884 531 HD1 TRP 70 HD1 TRP 70 71.437 3.343 -11.824 532 HE1 TRP 70 HE1 TRP 70 69.867 4.072 -9.915 533 HE3 TRP 70 HE3 TRP 70 72.283 -0.435 -8.495 534 HZ2 TRP 70 HZ2 TRP 70 69.073 3.171 -7.314 535 HZ3 TRP 70 HZ3 TRP 70 71.111 -0.477 -6.316 536 HH2 TRP 70 HH2 TRP 70 69.509 1.318 -5.719 537 HB2 TRP 70 HB2 TRP 70 73.863 1.126 -10.941 538 HB3 TRP 70 HB1 TRP 70 72.795 1.217 -12.337 539 H GLU 71 HN GLU 71 74.292 -2.357 -11.712 540 HA GLU 71 HA GLU 71 73.228 -2.961 -14.407 541 HB2 GLU 71 HB2 GLU 71 76.028 -1.931 -13.842 542 HB3 GLU 71 HB1 GLU 71 75.579 -2.747 -15.343 543 HG2 GLU 71 HG2 GLU 71 73.731 -1.019 -15.594 544 HG3 GLU 71 HG1 GLU 71 74.484 -0.141 -14.263 545 H ALA 72 HN ALA 72 76.370 -3.592 -12.919 546 HA ALA 72 HA ALA 72 76.032 -6.479 -13.290 547 HB1 ALA 72 HB1 ALA 72 78.299 -6.198 -11.762 548 HB2 ALA 72 HB2 ALA 72 78.215 -4.628 -12.561 549 HB3 ALA 72 HB3 ALA 72 78.269 -6.103 -13.523 550 H1U RCY 73 H1U RCY 73 73.836 -5.143 -3.992 551 H1S RCY 73 H1S RCY 73 71.707 -4.654 -7.439 552 HB1 RCY 73 HB1 RCY 73 72.357 -7.940 -9.088 553 HB2 RCY 73 HB2 RCY 73 72.411 -7.543 -10.805 554 HA RCY 73 HA RCY 73 74.419 -6.218 -9.043 555 HN1 RCY 73 HN1 RCY 73 74.209 -6.897 -11.880 556 H ASN 74 HN ASN 74 76.481 -8.045 -10.329 557 HA ASN 74 HA ASN 74 76.687 -9.888 -8.119 558 HB2 ASN 74 HB2 ASN 74 74.873 -10.917 -9.649 559 HB3 ASN 74 HB1 ASN 74 76.198 -11.264 -10.760 560 HD21 ASN 74 HD21 ASN 74 74.548 -12.426 -7.991 561 HD22 ASN 74 HD22 ASN 74 75.665 -13.623 -7.542 562 H HIS 75 HN HIS 75 77.630 -9.348 -11.517 563 HA HIS 75 HA HIS 75 80.050 -10.678 -11.637 564 HD1 HIS 75 HD1 HIS 75 77.666 -9.292 -14.576 565 HD2 HIS 75 HD2 HIS 75 81.398 -11.093 -14.107 566 HE1 HIS 75 HE1 HIS 75 77.822 -11.088 -16.355 567 HE2 HIS 75 HE2 HIS 75 80.089 -12.193 -16.080 568 HB2 HIS 75 HB2 HIS 75 79.025 -8.149 -12.820 569 HB3 HIS 75 HB1 HIS 75 80.767 -8.403 -12.914 570 H1U RCY 76 H1U RCY 76 79.587 -5.948 -1.929 571 H1S RCY 76 H1S RCY 76 78.480 -5.962 -6.321 572 HB1 RCY 76 HB1 RCY 76 82.182 -7.392 -7.467 573 HB2 RCY 76 HB2 RCY 76 80.699 -8.138 -8.061 574 HA RCY 76 HA RCY 76 81.808 -5.974 -9.762 575 HN1 RCY 76 HN1 RCY 76 80.317 -7.174 -11.119 576 H GLU 77 HN GLU 77 83.629 -6.284 -11.146 577 HA GLU 77 HA GLU 77 85.271 -8.631 -11.103 578 HB2 GLU 77 HB2 GLU 77 85.201 -6.737 -12.851 579 HB3 GLU 77 HB1 GLU 77 86.277 -5.860 -11.768 580 HG2 GLU 77 HG2 GLU 77 86.827 -8.645 -12.832 581 HG3 GLU 77 HG1 GLU 77 87.509 -7.167 -13.511 582 H LEU 78 HN LEU 78 86.979 -5.687 -10.310 583 HA LEU 78 HA LEU 78 88.434 -5.203 -8.539 584 HG LEU 78 HG LEU 78 85.870 -4.241 -6.212 585 HB2 LEU 78 HB2 LEU 78 86.041 -6.440 -7.221 586 HB3 LEU 78 HB1 LEU 78 87.481 -6.174 -6.244 587 HD11 LEU 78 HD11 LEU 78 88.267 -3.172 -7.600 588 HD12 LEU 78 HD12 LEU 78 88.581 -4.218 -6.215 589 HD13 LEU 78 HD13 LEU 78 87.606 -2.761 -6.017 590 HD21 LEU 78 HD21 LEU 78 85.458 -2.963 -8.159 591 HD22 LEU 78 HD22 LEU 78 85.323 -4.630 -8.718 592 HD23 LEU 78 HD23 LEU 78 86.793 -3.710 -9.037 593 H HIS 79 HN HIS 79 87.229 -8.405 -7.500 594 HA HIS 79 HA HIS 79 88.417 -10.355 -6.970 595 HD1 HIS 79 HD1 HIS 79 86.854 -10.293 -8.470 596 HD2 HIS 79 HD2 HIS 79 89.660 -12.063 -10.998 597 HE1 HIS 79 HE1 HIS 79 85.558 -11.821 -10.019 598 HE2 HIS 79 HE2 HIS 79 87.254 -12.904 -11.564 599 HB2 HIS 79 HB2 HIS 79 89.964 -9.261 -9.321 600 HB3 HIS 79 HB1 HIS 79 90.496 -10.722 -8.493 601 H GLU 80 HN GLU 80 88.830 -8.682 -5.035 602 HA GLU 80 HA GLU 80 91.511 -9.188 -4.129 603 HB2 GLU 80 HB2 GLU 80 92.252 -6.794 -4.002 604 HB3 GLU 80 HB1 GLU 80 92.132 -7.397 -5.653 605 HG2 GLU 80 HG2 GLU 80 91.044 -5.309 -5.763 606 HG3 GLU 80 HG1 GLU 80 89.711 -6.452 -5.592 607 H LEU 81 HN LEU 81 88.489 -7.439 -3.854 608 HA LEU 81 HA LEU 81 88.882 -7.159 -0.915 609 HG LEU 81 HG LEU 81 86.543 -6.454 -0.034 610 HB2 LEU 81 HB2 LEU 81 88.117 -5.119 -1.811 611 HB3 LEU 81 HB1 LEU 81 87.000 -5.914 -2.916 612 HD11 LEU 81 HD11 LEU 81 87.034 -4.119 0.197 613 HD12 LEU 81 HD12 LEU 81 85.277 -4.251 0.148 614 HD13 LEU 81 HD13 LEU 81 86.161 -3.723 -1.284 615 HD21 LEU 81 HD21 LEU 81 85.166 -7.097 -2.183 616 HD22 LEU 81 HD22 LEU 81 84.542 -5.453 -2.044 617 HD23 LEU 81 HD23 LEU 81 84.312 -6.599 -0.723 618 H ALA 82 HN ALA 82 86.794 -8.659 -3.352 619 HA ALA 82 HA ALA 82 84.932 -9.810 -1.471 620 HB1 ALA 82 HB1 ALA 82 84.502 -11.403 -3.476 621 HB2 ALA 82 HB2 ALA 82 85.639 -10.376 -4.350 622 HB3 ALA 82 HB3 ALA 82 84.151 -9.689 -3.698 623 H GLN 83 HN GLN 83 87.796 -10.216 -0.843 624 HA GLN 83 HA GLN 83 88.217 -13.115 -1.233 625 HB2 GLN 83 HB2 GLN 83 90.118 -11.547 -1.434 626 HB3 GLN 83 HB1 GLN 83 89.862 -11.023 0.230 627 HG2 GLN 83 HG2 GLN 83 91.656 -12.706 0.131 628 HG3 GLN 83 HG1 GLN 83 90.266 -13.341 1.012 629 HE21 GLN 83 HE21 GLN 83 89.036 -15.068 0.028 630 HE22 GLN 83 HE22 GLN 83 89.565 -15.868 -1.373 631 H TYR 84 HN TYR 84 86.906 -10.953 1.091 632 HA TYR 84 HA TYR 84 87.328 -12.669 3.409 633 HD1 TYR 84 HD2 TYR 84 88.479 -11.212 4.998 634 HD2 TYR 84 HD1 TYR 84 86.618 -8.509 2.226 635 HE1 TYR 84 HE2 TYR 84 90.476 -9.744 5.089 636 HE2 TYR 84 HE1 TYR 84 88.615 -7.041 2.317 637 HH TYR 84 HH TYR 84 91.267 -7.584 2.935 638 HB2 TYR 84 HB2 TYR 84 85.417 -10.350 3.005 639 HB3 TYR 84 HB1 TYR 84 85.871 -11.061 4.555 640 H GLY 85 HN GLY 85 84.101 -11.489 2.738 641 HA2 GLY 85 HA2 GLY 85 83.107 -14.144 1.958 642 HA3 GLY 85 HA1 GLY 85 82.601 -13.596 3.558 643 H ILE 86 HN ILE 86 82.340 -12.975 0.110 644 HA ILE 86 HA ILE 86 80.842 -10.572 0.179 645 HB ILE 86 HB ILE 86 79.934 -11.308 -2.031 646 HG12 ILE 86 HG12 ILE 86 81.440 -13.861 -1.371 647 HG13 ILE 86 HG11 ILE 86 79.686 -13.705 -1.478 648 HG21 ILE 86 HG21 ILE 86 82.041 -11.256 -3.159 649 HG22 ILE 86 HG22 ILE 86 82.873 -11.986 -1.786 650 HG23 ILE 86 HG23 ILE 86 82.269 -10.332 -1.674 651 HD11 ILE 86 HD11 ILE 86 79.983 -12.916 -3.856 652 HD12 ILE 86 HD12 ILE 86 80.468 -14.590 -3.586 653 HD13 ILE 86 HD13 ILE 86 81.692 -13.327 -3.716 654 H1U RCY 87 H1U RCY 87 76.811 -5.948 1.638 655 H1S RCY 87 H1S RCY 87 77.267 -9.687 0.179 656 HB1 RCY 87 HB1 RCY 87 75.203 -10.827 -0.175 657 HB2 RCY 87 HB2 RCY 87 75.302 -12.133 -1.355 658 HA RCY 87 HA RCY 87 76.740 -11.844 1.130 659 HN1 RCY 87 HN1 RCY 87 78.425 -11.361 -1.194 Start of MODEL 82 1 HA MET 1 HA MET 1 71.105 -1.861 29.792 2 HB2 MET 1 HB2 MET 1 70.788 -4.093 31.108 3 HB3 MET 1 HB1 MET 1 70.793 -4.847 29.514 4 HG2 MET 1 HG2 MET 1 72.962 -3.536 29.082 5 HG3 MET 1 HG1 MET 1 72.989 -3.235 30.820 6 HE1 MET 1 HE1 MET 1 75.451 -5.043 29.290 7 HE2 MET 1 HE2 MET 1 75.669 -5.768 30.881 8 HE3 MET 1 HE3 MET 1 75.188 -4.078 30.748 9 H ASN 2 HN ASN 2 71.779 -4.357 27.986 10 HA ASN 2 HA ASN 2 71.023 -2.973 25.460 11 HB2 ASN 2 HB2 ASN 2 73.060 -5.153 26.013 12 HB3 ASN 2 HB1 ASN 2 72.778 -4.406 24.440 13 HD21 ASN 2 HD21 ASN 2 72.230 -1.761 26.005 14 HD22 ASN 2 HD22 ASN 2 73.789 -1.172 26.328 15 H LEU 3 HN LEU 3 70.524 -4.503 23.582 16 HA LEU 3 HA LEU 3 69.135 -6.988 24.454 17 HG LEU 3 HG LEU 3 68.846 -4.222 22.226 18 HB2 LEU 3 HB2 LEU 3 67.226 -6.289 22.876 19 HB3 LEU 3 HB1 LEU 3 67.303 -5.476 24.439 20 HD11 LEU 3 HD11 LEU 3 65.817 -4.239 22.356 21 HD12 LEU 3 HD12 LEU 3 66.825 -4.779 21.013 22 HD13 LEU 3 HD13 LEU 3 66.753 -3.067 21.429 23 HD21 LEU 3 HD21 LEU 3 66.899 -2.978 24.173 24 HD22 LEU 3 HD22 LEU 3 68.281 -2.224 23.379 25 HD23 LEU 3 HD23 LEU 3 68.538 -3.411 24.658 26 H GLU 4 HN GLU 4 68.209 -8.011 22.229 27 HA GLU 4 HA GLU 4 70.501 -7.927 20.305 28 HB2 GLU 4 HB2 GLU 4 68.808 -10.266 20.000 29 HB3 GLU 4 HB1 GLU 4 70.529 -10.189 20.371 30 HG2 GLU 4 HG2 GLU 4 69.476 -11.287 22.229 31 HG3 GLU 4 HG1 GLU 4 69.878 -9.656 22.769 32 HA PRO 5 HA PRO 5 68.157 -6.691 16.801 33 HB2 PRO 5 HB2 PRO 5 68.254 -9.505 15.767 34 HB3 PRO 5 HB1 PRO 5 68.637 -7.986 14.933 35 HG2 PRO 5 HG2 PRO 5 70.550 -9.607 15.845 36 HG3 PRO 5 HG1 PRO 5 70.729 -7.845 15.865 37 HD2 PRO 5 HD2 PRO 5 70.296 -9.708 18.136 38 HD3 PRO 5 HD1 PRO 5 71.035 -8.092 18.127 39 HA PRO 6 HA PRO 6 64.038 -8.054 18.002 40 HB2 PRO 6 HB2 PRO 6 62.582 -6.341 16.481 41 HB3 PRO 6 HB1 PRO 6 63.478 -5.804 17.916 42 HG2 PRO 6 HG2 PRO 6 64.211 -5.563 15.040 43 HG3 PRO 6 HG1 PRO 6 64.413 -4.398 16.360 44 HD2 PRO 6 HD2 PRO 6 66.450 -6.002 15.412 45 HD3 PRO 6 HD1 PRO 6 66.399 -5.341 17.062 46 H LYS 7 HN LYS 7 62.877 -9.777 17.244 47 HA LYS 7 HA LYS 7 62.267 -11.494 15.743 48 HB2 LYS 7 HB2 LYS 7 61.295 -8.882 14.655 49 HB3 LYS 7 HB1 LYS 7 61.112 -10.310 13.638 50 HG2 LYS 7 HG2 LYS 7 60.270 -10.392 16.526 51 HG3 LYS 7 HG1 LYS 7 59.195 -9.709 15.306 52 HD2 LYS 7 HD2 LYS 7 58.810 -11.737 14.311 53 HD3 LYS 7 HD1 LYS 7 60.437 -12.329 14.649 54 HE2 LYS 7 HE2 LYS 7 59.874 -12.756 16.960 55 HE3 LYS 7 HE1 LYS 7 58.308 -11.967 16.775 56 HZ1 LYS 7 HZ1 LYS 7 57.437 -13.842 16.021 57 HZ2 LYS 7 HZ2 LYS 7 58.899 -14.636 16.366 58 HZ3 LYS 7 HZ3 LYS 7 58.627 -13.985 14.821 59 H ALA 8 HN ALA 8 62.201 -11.600 12.962 60 HA ALA 8 HA ALA 8 64.566 -10.675 11.658 61 HB1 ALA 8 HB1 ALA 8 65.890 -12.050 13.071 62 HB2 ALA 8 HB2 ALA 8 65.709 -12.986 11.588 63 HB3 ALA 8 HB3 ALA 8 64.730 -13.377 13.002 64 H GLU 9 HN GLU 9 61.595 -11.887 11.616 65 HA GLU 9 HA GLU 9 61.852 -13.602 9.219 66 HB2 GLU 9 HB2 GLU 9 59.530 -12.764 10.964 67 HB3 GLU 9 HB1 GLU 9 59.292 -13.631 9.445 68 HG2 GLU 9 HG2 GLU 9 59.403 -15.161 11.416 69 HG3 GLU 9 HG1 GLU 9 60.676 -15.479 10.237 70 H1U RCY 10 H1U RCY 10 61.164 -7.648 1.952 71 H1S RCY 10 H1S RCY 10 59.064 -10.853 3.854 72 HB1 RCY 10 HB1 RCY 10 57.830 -9.296 6.974 73 HB2 RCY 10 HB2 RCY 10 57.625 -10.657 8.076 74 HA RCY 10 HA RCY 10 60.376 -9.644 7.368 75 HN1 RCY 10 HN1 RCY 10 59.537 -10.973 9.900 76 H ARG 11 HN ARG 11 58.653 -7.569 7.288 77 HA ARG 11 HA ARG 11 58.641 -6.351 10.013 78 HE ARG 11 HE ARG 11 59.607 -2.715 11.760 79 HB2 ARG 11 HB2 ARG 11 60.677 -5.671 8.587 80 HB3 ARG 11 HB1 ARG 11 59.524 -4.818 7.562 81 HG2 ARG 11 HG2 ARG 11 60.077 -3.128 9.055 82 HG3 ARG 11 HG1 ARG 11 58.688 -3.837 9.880 83 HD2 ARG 11 HD2 ARG 11 60.443 -5.385 11.019 84 HD3 ARG 11 HD1 ARG 11 61.616 -4.177 10.495 85 HH11 ARG 11 HH21 ARG 11 61.704 -5.347 12.507 86 HH12 ARG 11 HH22 ARG 11 61.800 -4.965 14.194 87 HH21 ARG 11 HH11 ARG 11 59.719 -2.202 13.958 88 HH22 ARG 11 HH12 ARG 11 60.676 -3.185 15.015 89 H SER 12 HN SER 12 56.367 -6.493 10.095 90 HA SER 12 HA SER 12 54.167 -5.798 9.680 91 HG SER 12 HG SER 12 56.251 -2.767 9.723 92 HB2 SER 12 HB2 SER 12 55.316 -3.548 8.033 93 HB3 SER 12 HB1 SER 12 53.865 -3.549 9.031 94 H ALA 13 HN ALA 13 53.744 -4.185 7.039 95 HA ALA 13 HA ALA 13 54.230 -6.238 4.994 96 HB1 ALA 13 HB1 ALA 13 51.948 -6.758 4.533 97 HB2 ALA 13 HB2 ALA 13 51.365 -5.483 5.603 98 HB3 ALA 13 HB3 ALA 13 52.121 -6.925 6.280 99 H THR 14 HN THR 14 52.514 -3.240 5.865 100 HA THR 14 HA THR 14 52.416 -2.302 3.110 101 HB THR 14 HB THR 14 50.734 -1.351 4.437 102 HG1 THR 14 HG1 THR 14 52.160 0.219 3.327 103 HG21 THR 14 HG21 THR 14 51.402 -2.024 6.616 104 HG22 THR 14 HG22 THR 14 51.341 -0.263 6.679 105 HG23 THR 14 HG23 THR 14 52.893 -1.087 6.532 106 H ARG 15 HN ARG 15 54.741 -2.623 2.630 107 HA ARG 15 HA ARG 15 56.925 -1.471 3.904 108 HE ARG 15 HE ARG 15 54.722 -3.518 0.514 109 HB2 ARG 15 HB2 ARG 15 58.007 -1.355 1.702 110 HB3 ARG 15 HB1 ARG 15 57.079 -2.848 1.848 111 HG2 ARG 15 HG2 ARG 15 55.159 -1.266 0.822 112 HG3 ARG 15 HG1 ARG 15 56.571 -0.462 0.137 113 HD2 ARG 15 HD2 ARG 15 55.992 -2.111 -1.467 114 HD3 ARG 15 HD1 ARG 15 57.344 -2.813 -0.579 115 HH11 ARG 15 HH21 ARG 15 57.245 -4.224 -1.727 116 HH12 ARG 15 HH22 ARG 15 56.847 -5.905 -1.850 117 HH21 ARG 15 HH11 ARG 15 54.188 -5.710 0.367 118 HH22 ARG 15 HH12 ARG 15 55.116 -6.746 -0.665 119 H VAL 16 HN VAL 16 56.957 0.571 4.738 120 HA VAL 16 HA VAL 16 55.522 2.770 3.481 121 HB VAL 16 HB VAL 16 55.803 2.688 5.922 122 HG11 VAL 16 HG11 VAL 16 57.906 2.734 6.987 123 HG12 VAL 16 HG12 VAL 16 58.735 3.270 5.525 124 HG13 VAL 16 HG13 VAL 16 58.151 1.610 5.650 125 HG21 VAL 16 HG21 VAL 16 55.692 4.891 4.652 126 HG22 VAL 16 HG22 VAL 16 57.447 4.976 4.807 127 HG23 VAL 16 HG23 VAL 16 56.433 4.986 6.250 128 H MET 17 HN MET 17 56.291 3.935 1.798 129 HA MET 17 HA MET 17 59.020 4.870 1.676 130 HB2 MET 17 HB2 MET 17 59.243 3.612 -0.695 131 HB3 MET 17 HB1 MET 17 59.830 2.894 0.804 132 HG2 MET 17 HG2 MET 17 57.972 1.469 1.000 133 HG3 MET 17 HG1 MET 17 56.983 2.458 -0.074 134 HE1 MET 17 HE1 MET 17 60.111 0.535 0.382 135 HE2 MET 17 HE2 MET 17 60.832 1.429 -0.954 136 HE3 MET 17 HE3 MET 17 60.469 -0.284 -1.143 137 H GLY 18 HN GLY 18 56.324 4.000 -0.527 138 HA2 GLY 18 HA2 GLY 18 55.340 6.562 -0.989 139 HA3 GLY 18 HA1 GLY 18 56.679 6.392 -2.124 140 H GLY 19 HN GLY 19 54.060 4.220 -0.984 141 HA2 GLY 19 HA2 GLY 19 52.554 2.911 -2.219 142 HA3 GLY 19 HA1 GLY 19 52.691 4.133 -3.486 143 HA PRO 20 HA PRO 20 54.285 0.266 -5.440 144 HB2 PRO 20 HB2 PRO 20 54.052 2.164 -7.747 145 HB3 PRO 20 HB1 PRO 20 53.549 0.465 -7.629 146 HG2 PRO 20 HG2 PRO 20 51.773 2.433 -7.519 147 HG3 PRO 20 HG1 PRO 20 51.603 0.989 -6.505 148 HD2 PRO 20 HD2 PRO 20 52.468 3.747 -5.725 149 HD3 PRO 20 HD1 PRO 20 51.557 2.542 -4.787 150 H1U RCY 21 H1U RCY 21 62.241 1.617 -2.037 151 H1S RCY 21 H1S RCY 21 60.906 1.689 -6.220 152 HB1 RCY 21 HB1 RCY 21 59.203 1.210 -8.711 153 HB2 RCY 21 HB2 RCY 21 57.791 0.197 -8.411 154 HA RCY 21 HA RCY 21 58.169 2.447 -6.516 155 HN1 RCY 21 HN1 RCY 21 55.709 1.540 -7.957 156 H THR 22 HN THR 22 57.920 4.624 -7.052 157 HA THR 22 HA THR 22 57.441 5.360 -9.879 158 HB THR 22 HB THR 22 57.714 7.738 -8.767 159 HG1 THR 22 HG1 THR 22 56.830 6.439 -6.481 160 HG21 THR 22 HG21 THR 22 55.583 7.071 -9.576 161 HG22 THR 22 HG22 THR 22 55.314 7.499 -7.886 162 HG23 THR 22 HG23 THR 22 55.431 5.803 -8.358 163 HA PRO 23 HA PRO 23 61.715 5.928 -10.840 164 HB2 PRO 23 HB2 PRO 23 61.602 8.180 -12.442 165 HB3 PRO 23 HB1 PRO 23 61.158 6.550 -12.982 166 HG2 PRO 23 HG2 PRO 23 59.408 8.787 -12.101 167 HG3 PRO 23 HG1 PRO 23 59.172 7.611 -13.406 168 HD2 PRO 23 HD2 PRO 23 57.898 7.391 -11.009 169 HD3 PRO 23 HD1 PRO 23 58.370 5.970 -11.968 170 H ARG 24 HN ARG 24 62.032 6.568 -8.477 171 HA ARG 24 HA ARG 24 62.893 8.027 -6.854 172 HE ARG 24 HE ARG 24 67.708 6.793 -9.585 173 HB2 ARG 24 HB2 ARG 24 63.969 9.267 -9.402 174 HB3 ARG 24 HB1 ARG 24 64.459 9.782 -7.787 175 HG2 ARG 24 HG2 ARG 24 65.107 7.393 -7.308 176 HG3 ARG 24 HG1 ARG 24 64.804 7.031 -9.008 177 HD2 ARG 24 HD2 ARG 24 66.456 8.799 -9.634 178 HD3 ARG 24 HD1 ARG 24 66.816 9.023 -7.922 179 HH11 ARG 24 HH21 ARG 24 66.930 7.943 -6.429 180 HH12 ARG 24 HH22 ARG 24 67.938 6.793 -5.617 181 HH21 ARG 24 HH11 ARG 24 69.029 5.284 -8.542 182 HH22 ARG 24 HH12 ARG 24 69.126 5.288 -6.813 183 H LYS 25 HN LYS 25 62.946 10.484 -6.236 184 HA LYS 25 HA LYS 25 60.233 11.518 -6.739 185 HB2 LYS 25 HB2 LYS 25 62.427 12.688 -5.005 186 HB3 LYS 25 HB1 LYS 25 60.711 13.088 -4.949 187 HG2 LYS 25 HG2 LYS 25 61.807 10.311 -4.425 188 HG3 LYS 25 HG1 LYS 25 61.442 11.477 -3.152 189 HD2 LYS 25 HD2 LYS 25 59.326 10.700 -3.186 190 HD3 LYS 25 HD1 LYS 25 59.156 11.465 -4.766 191 HE2 LYS 25 HE2 LYS 25 58.552 9.062 -4.851 192 HE3 LYS 25 HE1 LYS 25 59.951 9.417 -5.865 193 HZ1 LYS 25 HZ1 LYS 25 61.390 8.433 -4.379 194 HZ2 LYS 25 HZ2 LYS 25 60.033 7.417 -4.269 195 HZ3 LYS 25 HZ3 LYS 25 60.326 8.581 -3.067 196 H GLY 26 HN GLY 26 63.146 13.511 -6.383 197 HA2 GLY 26 HA2 GLY 26 62.240 15.200 -8.600 198 HA3 GLY 26 HA1 GLY 26 63.668 15.478 -7.602 199 HA PRO 27 HA PRO 27 64.453 13.637 -12.062 200 HB2 PRO 27 HB2 PRO 27 66.077 16.154 -12.054 201 HB3 PRO 27 HB1 PRO 27 65.194 15.388 -13.389 202 HG2 PRO 27 HG2 PRO 27 64.246 17.537 -12.111 203 HG3 PRO 27 HG1 PRO 27 63.183 16.270 -12.744 204 HD2 PRO 27 HD2 PRO 27 63.874 16.896 -9.927 205 HD3 PRO 27 HD1 PRO 27 62.444 16.068 -10.581 206 HA PRO 28 HA PRO 28 68.033 11.551 -10.380 207 HB2 PRO 28 HB2 PRO 28 69.085 11.940 -13.164 208 HB3 PRO 28 HB1 PRO 28 69.066 10.474 -12.163 209 HG2 PRO 28 HG2 PRO 28 67.303 10.876 -14.143 210 HG3 PRO 28 HG1 PRO 28 66.885 9.997 -12.664 211 HD2 PRO 28 HD2 PRO 28 65.992 12.671 -13.552 212 HD3 PRO 28 HD1 PRO 28 65.262 11.581 -12.354 213 H LYS 29 HN LYS 29 69.796 12.391 -9.305 214 HA LYS 29 HA LYS 29 71.198 14.739 -10.496 215 HB2 LYS 29 HB2 LYS 29 69.387 15.070 -8.475 216 HB3 LYS 29 HB1 LYS 29 70.858 14.790 -7.545 217 HG2 LYS 29 HG2 LYS 29 70.940 17.104 -7.872 218 HG3 LYS 29 HG1 LYS 29 71.917 16.519 -9.219 219 HD2 LYS 29 HD2 LYS 29 69.721 16.493 -10.568 220 HD3 LYS 29 HD1 LYS 29 69.054 17.478 -9.265 221 HE2 LYS 29 HE2 LYS 29 70.773 19.172 -9.607 222 HE3 LYS 29 HE1 LYS 29 71.560 18.169 -10.827 223 HZ1 LYS 29 HZ1 LYS 29 69.320 19.909 -11.093 224 HZ2 LYS 29 HZ2 LYS 29 68.949 18.341 -11.631 225 HZ3 LYS 29 HZ3 LYS 29 70.266 19.181 -12.298 226 H1U RCY 30 H1U RCY 30 77.841 12.228 -3.585 227 H1S RCY 30 H1S RCY 30 74.857 15.303 -4.902 228 HB1 RCY 30 HB1 RCY 30 75.713 13.169 -7.199 229 HB2 RCY 30 HB2 RCY 30 74.200 12.270 -7.276 230 HA RCY 30 HA RCY 30 75.503 13.978 -9.373 231 HN1 RCY 30 HN1 RCY 30 73.409 14.798 -10.039 232 H LYS 31 HN LYS 31 74.244 12.676 -11.499 233 HA LYS 31 HA LYS 31 73.974 9.862 -11.240 234 HB2 LYS 31 HB2 LYS 31 74.766 9.931 -13.738 235 HB3 LYS 31 HB1 LYS 31 73.245 10.711 -13.302 236 HG2 LYS 31 HG2 LYS 31 74.232 12.877 -13.305 237 HG3 LYS 31 HG1 LYS 31 75.867 12.214 -13.317 238 HD2 LYS 31 HD2 LYS 31 75.597 11.396 -15.570 239 HD3 LYS 31 HD1 LYS 31 73.880 11.798 -15.565 240 HE2 LYS 31 HE2 LYS 31 75.963 13.925 -15.094 241 HE3 LYS 31 HE1 LYS 31 75.510 13.449 -16.731 242 HZ1 LYS 31 HZ1 LYS 31 73.159 13.857 -16.053 243 HZ2 LYS 31 HZ2 LYS 31 74.130 15.250 -16.110 244 HZ3 LYS 31 HZ3 LYS 31 73.743 14.541 -14.615 245 H GLN 32 HN GLN 32 76.514 10.491 -13.424 246 HA GLN 32 HA GLN 32 78.464 9.213 -11.541 247 HB2 GLN 32 HB2 GLN 32 77.618 8.044 -13.770 248 HB3 GLN 32 HB1 GLN 32 78.809 9.104 -14.522 249 HG2 GLN 32 HG2 GLN 32 80.551 8.230 -13.010 250 HG3 GLN 32 HG1 GLN 32 79.363 7.171 -12.249 251 HE21 GLN 32 HE21 GLN 32 78.532 7.385 -15.491 252 HE22 GLN 32 HE22 GLN 32 79.336 6.004 -16.064 253 H ARG 33 HN ARG 33 80.473 9.771 -13.806 254 HA ARG 33 HA ARG 33 82.043 11.431 -14.316 255 HE ARG 33 HE ARG 33 77.584 13.061 -17.694 256 HB2 ARG 33 HB2 ARG 33 79.909 13.450 -13.595 257 HB3 ARG 33 HB1 ARG 33 81.259 13.649 -14.711 258 HG2 ARG 33 HG2 ARG 33 80.264 11.845 -16.144 259 HG3 ARG 33 HG1 ARG 33 78.861 11.829 -15.075 260 HD2 ARG 33 HD2 ARG 33 78.254 14.049 -15.659 261 HD3 ARG 33 HD1 ARG 33 79.827 14.373 -16.387 262 HH11 ARG 33 HH21 ARG 33 81.012 13.331 -17.444 263 HH12 ARG 33 HH22 ARG 33 81.305 12.810 -19.070 264 HH21 ARG 33 HH11 ARG 33 77.947 12.379 -19.818 265 HH22 ARG 33 HH12 ARG 33 79.569 12.271 -20.414 266 H GLN 34 HN GLN 34 80.329 11.545 -11.290 267 HA GLN 34 HA GLN 34 82.405 13.266 -10.059 268 HB2 GLN 34 HB2 GLN 34 80.019 13.620 -9.463 269 HB3 GLN 34 HB1 GLN 34 79.949 11.975 -8.830 270 HG2 GLN 34 HG2 GLN 34 81.535 12.472 -7.107 271 HG3 GLN 34 HG1 GLN 34 81.951 14.019 -7.845 272 HE21 GLN 34 HE21 GLN 34 78.613 13.500 -8.145 273 HE22 GLN 34 HE22 GLN 34 78.100 14.397 -6.799 274 H THR 35 HN THR 35 83.768 12.492 -8.370 275 HA THR 35 HA THR 35 84.378 9.623 -8.560 276 HB THR 35 HB THR 35 86.329 10.153 -7.213 277 HG1 THR 35 HG1 THR 35 84.956 12.594 -6.822 278 HG21 THR 35 HG21 THR 35 86.496 10.764 -9.563 279 HG22 THR 35 HG22 THR 35 87.315 11.988 -8.593 280 HG23 THR 35 HG23 THR 35 85.709 12.311 -9.249 281 H ARG 36 HN ARG 36 85.357 9.622 -5.719 282 HA ARG 36 HA ARG 36 83.096 9.974 -3.972 283 HE ARG 36 HE ARG 36 84.767 5.020 -6.767 284 HB2 ARG 36 HB2 ARG 36 82.668 7.520 -3.581 285 HB3 ARG 36 HB1 ARG 36 82.133 8.097 -5.160 286 HG2 ARG 36 HG2 ARG 36 84.313 7.307 -6.121 287 HG3 ARG 36 HG1 ARG 36 84.697 6.598 -4.552 288 HD2 ARG 36 HD2 ARG 36 82.776 5.130 -4.675 289 HD3 ARG 36 HD1 ARG 36 82.202 5.931 -6.137 290 HH11 ARG 36 HH21 ARG 36 81.786 3.718 -5.626 291 HH12 ARG 36 HH22 ARG 36 82.022 2.173 -6.373 292 HH21 ARG 36 HH11 ARG 36 85.092 3.011 -7.750 293 HH22 ARG 36 HH12 ARG 36 83.893 1.773 -7.576 294 H GLN 37 HN GLN 37 86.079 10.273 -4.191 295 HA GLN 37 HA GLN 37 87.813 10.292 -2.604 296 HB2 GLN 37 HB2 GLN 37 85.771 10.265 -0.967 297 HB3 GLN 37 HB1 GLN 37 86.176 8.563 -0.756 298 HG2 GLN 37 HG2 GLN 37 87.360 9.775 0.949 299 HG3 GLN 37 HG1 GLN 37 88.552 9.297 -0.259 300 HE21 GLN 37 HE21 GLN 37 86.191 11.967 -0.587 301 HE22 GLN 37 HE22 GLN 37 87.356 13.198 -0.675 302 H1U RCY 38 H1U RCY 38 84.862 1.588 -1.113 303 H1S RCY 38 H1S RCY 38 86.229 4.590 1.608 304 HB1 RCY 38 HB1 RCY 38 89.299 4.725 -0.265 305 HB2 RCY 38 HB2 RCY 38 87.721 4.359 -0.960 306 HA RCY 38 HA RCY 38 89.770 6.222 -1.898 307 HN1 RCY 38 HN1 RCY 38 87.720 7.662 -0.788 308 H LYS 39 HN LYS 39 89.789 6.080 -4.155 309 HA LYS 39 HA LYS 39 87.510 4.680 -5.471 310 HB2 LYS 39 HB2 LYS 39 88.563 5.430 -7.583 311 HB3 LYS 39 HB1 LYS 39 88.227 6.785 -6.509 312 HG2 LYS 39 HG2 LYS 39 90.860 5.631 -6.005 313 HG3 LYS 39 HG1 LYS 39 90.695 6.192 -7.669 314 HD2 LYS 39 HD2 LYS 39 90.007 7.848 -5.224 315 HD3 LYS 39 HD1 LYS 39 91.517 7.979 -6.127 316 HE2 LYS 39 HE2 LYS 39 90.445 9.506 -7.406 317 HE3 LYS 39 HE1 LYS 39 89.586 8.135 -8.110 318 HZ1 LYS 39 HZ1 LYS 39 88.456 8.910 -5.615 319 HZ2 LYS 39 HZ2 LYS 39 87.712 8.760 -7.135 320 HZ3 LYS 39 HZ3 LYS 39 88.480 10.212 -6.701 321 H SER 40 HN SER 40 90.731 4.193 -4.377 322 HA SER 40 HA SER 40 91.575 2.170 -6.219 323 HG SER 40 HG SER 40 94.070 1.492 -5.156 324 HB2 SER 40 HB2 SER 40 93.114 3.291 -4.636 325 HB3 SER 40 HB1 SER 40 92.294 2.504 -3.290 326 H LYS 41 HN LYS 41 92.095 -0.130 -4.981 327 HA LYS 41 HA LYS 41 89.555 -1.098 -3.751 328 HB2 LYS 41 HB2 LYS 41 91.006 -2.619 -5.926 329 HB3 LYS 41 HB1 LYS 41 89.411 -2.952 -5.250 330 HG2 LYS 41 HG2 LYS 41 88.539 -0.871 -6.199 331 HG3 LYS 41 HG1 LYS 41 90.140 -0.457 -6.815 332 HD2 LYS 41 HD2 LYS 41 90.077 -2.638 -8.118 333 HD3 LYS 41 HD1 LYS 41 88.376 -2.765 -7.668 334 HE2 LYS 41 HE2 LYS 41 87.937 -0.570 -8.716 335 HE3 LYS 41 HE1 LYS 41 89.636 -0.454 -9.178 336 HZ1 LYS 41 HZ1 LYS 41 87.898 -1.389 -10.841 337 HZ2 LYS 41 HZ2 LYS 41 88.089 -2.827 -9.957 338 HZ3 LYS 41 HZ3 LYS 41 89.427 -2.113 -10.724 339 HA PRO 42 HA PRO 42 93.303 -2.679 -1.557 340 HB2 PRO 42 HB2 PRO 42 92.416 -2.206 0.979 341 HB3 PRO 42 HB1 PRO 42 93.206 -0.965 -0.013 342 HG2 PRO 42 HG2 PRO 42 90.325 -1.355 0.586 343 HG3 PRO 42 HG1 PRO 42 91.248 0.143 0.391 344 HD2 PRO 42 HD2 PRO 42 89.608 -0.954 -1.563 345 HD3 PRO 42 HD1 PRO 42 90.935 0.182 -1.884 346 HA PRO 43 HA PRO 43 91.533 -6.662 -0.702 347 HB2 PRO 43 HB2 PRO 43 93.403 -7.718 0.986 348 HB3 PRO 43 HB1 PRO 43 93.696 -7.478 -0.748 349 HG2 PRO 43 HG2 PRO 43 94.561 -5.804 1.557 350 HG3 PRO 43 HG1 PRO 43 95.451 -6.257 0.093 351 HD2 PRO 43 HD2 PRO 43 94.257 -3.810 0.413 352 HD3 PRO 43 HD1 PRO 43 94.489 -4.576 -1.175 353 H LYS 44 HN LYS 44 89.798 -7.076 0.596 354 HA LYS 44 HA LYS 44 88.365 -6.930 2.466 355 HB2 LYS 44 HB2 LYS 44 90.914 -7.639 3.945 356 HB3 LYS 44 HB1 LYS 44 89.263 -8.022 4.427 357 HG2 LYS 44 HG2 LYS 44 90.361 -8.985 1.789 358 HG3 LYS 44 HG1 LYS 44 90.657 -9.889 3.274 359 HD2 LYS 44 HD2 LYS 44 87.904 -9.074 2.301 360 HD3 LYS 44 HD1 LYS 44 88.619 -10.664 2.033 361 HE2 LYS 44 HE2 LYS 44 87.652 -11.212 4.013 362 HE3 LYS 44 HE1 LYS 44 88.995 -10.326 4.735 363 HZ1 LYS 44 HZ1 LYS 44 86.217 -9.639 4.605 364 HZ2 LYS 44 HZ2 LYS 44 87.221 -8.381 4.061 365 HZ3 LYS 44 HZ3 LYS 44 87.435 -9.030 5.616 366 H LYS 45 HN LYS 45 90.409 -6.296 4.994 367 HA LYS 45 HA LYS 45 90.783 -4.397 6.312 368 HB2 LYS 45 HB2 LYS 45 91.891 -3.728 4.039 369 HB3 LYS 45 HB1 LYS 45 90.479 -2.688 3.848 370 HG2 LYS 45 HG2 LYS 45 90.965 -1.650 6.048 371 HG3 LYS 45 HG1 LYS 45 92.405 -2.659 6.192 372 HD2 LYS 45 HD2 LYS 45 93.420 -1.623 4.272 373 HD3 LYS 45 HD1 LYS 45 91.926 -0.774 3.870 374 HE2 LYS 45 HE2 LYS 45 93.329 -0.361 6.513 375 HE3 LYS 45 HE1 LYS 45 93.735 0.591 5.085 376 HZ1 LYS 45 HZ1 LYS 45 91.317 1.126 4.924 377 HZ2 LYS 45 HZ2 LYS 45 92.099 1.781 6.283 378 HZ3 LYS 45 HZ3 LYS 45 91.109 0.411 6.448 379 H GLY 46 HN GLY 46 88.141 -5.346 6.153 380 HA2 GLY 46 HA2 GLY 46 86.422 -2.958 5.810 381 HA3 GLY 46 HA1 GLY 46 85.854 -4.599 6.122 382 H VAL 47 HN VAL 47 88.341 -2.795 7.908 383 HA VAL 47 HA VAL 47 87.306 -3.565 10.458 384 HB VAL 47 HB VAL 47 88.784 -1.636 11.283 385 HG11 VAL 47 HG11 VAL 47 89.813 -3.860 9.510 386 HG12 VAL 47 HG12 VAL 47 89.707 -3.837 11.270 387 HG13 VAL 47 HG13 VAL 47 90.892 -2.825 10.445 388 HG21 VAL 47 HG21 VAL 47 89.709 -1.580 8.407 389 HG22 VAL 47 HG22 VAL 47 90.123 -0.466 9.710 390 HG23 VAL 47 HG23 VAL 47 88.505 -0.440 9.009 391 H GLN 48 HN GLN 48 87.734 -0.300 10.823 392 HA GLN 48 HA GLN 48 84.828 0.314 10.477 393 HB2 GLN 48 HB2 GLN 48 84.876 1.503 12.652 394 HB3 GLN 48 HB1 GLN 48 85.223 -0.215 12.849 395 HG2 GLN 48 HG2 GLN 48 87.697 0.409 12.703 396 HG3 GLN 48 HG1 GLN 48 87.184 2.088 12.878 397 HE21 GLN 48 HE21 GLN 48 87.146 2.793 15.011 398 HE22 GLN 48 HE22 GLN 48 86.908 1.799 16.366 399 H GLY 49 HN GLY 49 84.474 2.304 9.564 400 HA2 GLY 49 HA2 GLY 49 85.018 4.302 8.451 401 HA3 GLY 49 HA1 GLY 49 85.989 4.643 9.884 402 H1U RCY 50 H1U RCY 50 86.126 -2.237 -0.217 403 H1S RCY 50 H1S RCY 50 88.503 0.712 2.558 404 HB1 RCY 50 HB1 RCY 50 87.415 0.592 6.183 405 HB2 RCY 50 HB2 RCY 50 89.058 0.741 5.564 406 HA RCY 50 HA RCY 50 89.212 2.178 7.367 407 HN1 RCY 50 HN1 RCY 50 86.427 2.033 7.506 408 H GLY 51 HN GLY 51 86.828 4.058 5.521 409 HA2 GLY 51 HA2 GLY 51 89.027 5.587 4.238 410 HA3 GLY 51 HA1 GLY 51 87.320 5.683 3.802 411 H ASP 52 HN ASP 52 89.780 7.276 5.427 412 HA ASP 52 HA ASP 52 89.803 9.099 6.908 413 HB2 ASP 52 HB2 ASP 52 87.015 9.463 5.764 414 HB3 ASP 52 HB1 ASP 52 87.955 10.699 6.601 415 H ASP 53 HN ASP 53 86.321 8.819 7.259 416 HA ASP 53 HA ASP 53 86.250 7.082 9.516 417 HB2 ASP 53 HB2 ASP 53 85.817 9.021 11.218 418 HB3 ASP 53 HB1 ASP 53 87.482 8.584 10.834 419 H ILE 54 HN ILE 54 84.165 7.899 10.962 420 HA ILE 54 HA ILE 54 81.906 7.561 9.372 421 HB ILE 54 HB ILE 54 80.718 8.870 11.302 422 HG12 ILE 54 HG12 ILE 54 83.436 8.460 12.568 423 HG13 ILE 54 HG11 ILE 54 82.937 10.012 11.893 424 HG21 ILE 54 HG21 ILE 54 81.027 6.923 12.802 425 HG22 ILE 54 HG22 ILE 54 82.414 6.412 11.840 426 HG23 ILE 54 HG23 ILE 54 80.800 6.416 11.128 427 HD11 ILE 54 HD11 ILE 54 81.532 8.479 14.100 428 HD12 ILE 54 HD12 ILE 54 80.929 9.969 13.374 429 HD13 ILE 54 HD13 ILE 54 82.440 9.979 14.283 430 HA PRO 55 HA PRO 55 81.870 11.583 7.333 431 HB2 PRO 55 HB2 PRO 55 79.820 11.121 5.625 432 HB3 PRO 55 HB1 PRO 55 81.413 10.368 5.404 433 HG2 PRO 55 HG2 PRO 55 78.921 9.198 6.535 434 HG3 PRO 55 HG1 PRO 55 80.127 8.467 5.463 435 HD2 PRO 55 HD2 PRO 55 80.027 8.040 8.198 436 HD3 PRO 55 HD1 PRO 55 81.494 7.851 7.212 437 H GLY 56 HN GLY 56 78.706 10.141 8.196 438 HA2 GLY 56 HA2 GLY 56 78.007 12.475 9.805 439 HA3 GLY 56 HA1 GLY 56 77.079 12.359 8.308 440 H MET 57 HN MET 57 77.835 9.259 9.087 441 HA MET 57 HA MET 57 76.491 7.487 9.852 442 HB2 MET 57 HB2 MET 57 76.184 9.564 12.030 443 HB3 MET 57 HB1 MET 57 75.489 7.949 12.162 444 HG2 MET 57 HG2 MET 57 78.362 8.148 11.376 445 HG3 MET 57 HG1 MET 57 77.953 8.491 13.057 446 HE1 MET 57 HE1 MET 57 76.277 6.970 14.406 447 HE2 MET 57 HE2 MET 57 77.989 6.755 14.764 448 HE3 MET 57 HE3 MET 57 76.936 5.347 14.650 449 H GLU 58 HN GLU 58 74.859 7.380 8.283 450 HA GLU 58 HA GLU 58 72.686 7.550 7.433 451 HB2 GLU 58 HB2 GLU 58 71.265 6.967 9.090 452 HB3 GLU 58 HB1 GLU 58 72.488 7.418 10.273 453 HG2 GLU 58 HG2 GLU 58 71.702 9.769 10.181 454 HG3 GLU 58 HG1 GLU 58 70.457 9.299 9.023 455 H GLY 59 HN GLY 59 71.198 9.162 6.615 456 HA2 GLY 59 HA2 GLY 59 71.317 11.921 7.450 457 HA3 GLY 59 HA1 GLY 59 72.304 11.666 6.011 458 H1U RCY 60 H1U RCY 60 72.051 4.795 1.217 459 H1S RCY 60 H1S RCY 60 72.016 9.359 2.608 460 HB1 RCY 60 HB1 RCY 60 67.680 9.935 2.842 461 HB2 RCY 60 HB2 RCY 60 68.581 8.634 3.619 462 HA RCY 60 HA RCY 60 67.813 11.321 4.773 463 HN1 RCY 60 HN1 RCY 60 69.625 9.548 6.296 464 H GLY 61 HN GLY 61 68.451 8.253 6.383 465 HA2 GLY 61 HA2 GLY 61 66.377 7.939 8.027 466 HA3 GLY 61 HA1 GLY 61 65.550 7.643 6.496 467 H THR 62 HN THR 62 68.887 6.719 7.169 468 HA THR 62 HA THR 62 68.213 3.926 6.507 469 HB THR 62 HB THR 62 70.577 3.572 6.364 470 HG1 THR 62 HG1 THR 62 72.027 4.938 7.289 471 HG21 THR 62 HG21 THR 62 69.616 4.955 4.552 472 HG22 THR 62 HG22 THR 62 71.297 5.386 4.870 473 HG23 THR 62 HG23 THR 62 69.994 6.411 5.473 474 H ASP 63 HN ASP 63 66.864 4.018 8.655 475 HA ASP 63 HA ASP 63 68.284 3.923 11.164 476 HB2 ASP 63 HB2 ASP 63 65.561 2.839 10.381 477 HB3 ASP 63 HB1 ASP 63 66.161 2.940 12.037 478 H ILE 64 HN ILE 64 68.634 1.916 8.640 479 HA ILE 64 HA ILE 64 68.906 -0.530 10.347 480 HB ILE 64 HB ILE 64 68.782 -0.481 7.325 481 HG12 ILE 64 HG12 ILE 64 66.323 -1.353 8.035 482 HG13 ILE 64 HG11 ILE 64 66.610 -0.200 9.339 483 HG21 ILE 64 HG21 ILE 64 69.535 -2.473 8.950 484 HG22 ILE 64 HG22 ILE 64 68.600 -2.775 7.485 485 HG23 ILE 64 HG23 ILE 64 67.790 -2.706 9.051 486 HD11 ILE 64 HD11 ILE 64 67.326 1.442 7.483 487 HD12 ILE 64 HD12 ILE 64 65.603 1.093 7.627 488 HD13 ILE 64 HD13 ILE 64 66.558 0.315 6.365 489 H THR 65 HN THR 65 70.790 1.819 9.808 490 HA THR 65 HA THR 65 72.914 0.816 8.147 491 HB THR 65 HB THR 65 72.938 2.884 10.368 492 HG1 THR 65 HG1 THR 65 72.868 4.304 8.602 493 HG21 THR 65 HG21 THR 65 75.194 2.155 10.087 494 HG22 THR 65 HG22 THR 65 75.047 3.635 9.140 495 HG23 THR 65 HG23 THR 65 75.021 2.067 8.334 496 H VAL 66 HN VAL 66 72.547 0.940 11.710 497 HA VAL 66 HA VAL 66 74.915 -0.249 12.513 498 HB VAL 66 HB VAL 66 72.218 -1.068 13.622 499 HG11 VAL 66 HG11 VAL 66 74.320 -2.227 14.423 500 HG12 VAL 66 HG12 VAL 66 73.430 -1.375 15.685 501 HG13 VAL 66 HG13 VAL 66 74.887 -0.659 14.997 502 HG21 VAL 66 HG21 VAL 66 72.141 1.316 13.520 503 HG22 VAL 66 HG22 VAL 66 73.838 1.463 13.978 504 HG23 VAL 66 HG23 VAL 66 72.647 0.936 15.167 505 H ILE 67 HN ILE 67 71.963 -2.058 11.573 506 HA ILE 67 HA ILE 67 73.750 -4.297 10.722 507 HB ILE 67 HB ILE 67 71.233 -4.513 12.404 508 HG12 ILE 67 HG12 ILE 67 73.379 -6.023 13.444 509 HG13 ILE 67 HG11 ILE 67 74.071 -4.469 12.976 510 HG21 ILE 67 HG21 ILE 67 72.827 -6.573 10.874 511 HG22 ILE 67 HG22 ILE 67 71.084 -6.303 10.854 512 HG23 ILE 67 HG23 ILE 67 71.849 -7.014 12.274 513 HD11 ILE 67 HD11 ILE 67 71.685 -4.916 14.791 514 HD12 ILE 67 HD12 ILE 67 72.211 -3.333 14.219 515 HD13 ILE 67 HD13 ILE 67 73.266 -4.290 15.260 516 H1U RCY 68 H1U RCY 68 77.499 0.230 3.984 517 H1S RCY 68 H1S RCY 68 73.462 -1.221 4.998 518 HB1 RCY 68 HB1 RCY 68 71.038 -1.983 6.544 519 HB2 RCY 68 HB2 RCY 68 72.111 -2.883 5.479 520 HA RCY 68 HA RCY 68 70.597 -3.958 7.557 521 HN1 RCY 68 HN1 RCY 68 73.413 -3.696 8.535 522 HA PRO 69 HA PRO 69 71.051 -7.551 5.080 523 HB2 PRO 69 HB2 PRO 69 71.404 -5.713 2.727 524 HB3 PRO 69 HB1 PRO 69 70.410 -7.177 2.868 525 HG2 PRO 69 HG2 PRO 69 69.389 -4.693 3.097 526 HG3 PRO 69 HG1 PRO 69 68.725 -6.090 3.958 527 HD2 PRO 69 HD2 PRO 69 70.127 -3.764 5.055 528 HD3 PRO 69 HD1 PRO 69 69.221 -5.029 5.914 529 H TRP 70 HN TRP 70 73.393 -4.949 4.477 530 HA TRP 70 HA TRP 70 75.377 -6.498 3.141 531 HD1 TRP 70 HD1 TRP 70 77.916 -5.898 2.492 532 HE1 TRP 70 HE1 TRP 70 80.284 -5.820 3.504 533 HE3 TRP 70 HE3 TRP 70 76.934 -3.401 6.836 534 HZ2 TRP 70 HZ2 TRP 70 81.592 -4.829 5.852 535 HZ3 TRP 70 HZ3 TRP 70 78.754 -2.904 8.439 536 HH2 TRP 70 HH2 TRP 70 81.079 -3.613 7.956 537 HB2 TRP 70 HB2 TRP 70 75.733 -4.150 3.169 538 HB3 TRP 70 HB1 TRP 70 75.514 -4.056 4.916 539 H GLU 71 HN GLU 71 74.643 -6.045 6.567 540 HA GLU 71 HA GLU 71 76.928 -7.526 7.538 541 HB2 GLU 71 HB2 GLU 71 74.318 -6.587 8.722 542 HB3 GLU 71 HB1 GLU 71 75.360 -7.684 9.635 543 HG2 GLU 71 HG2 GLU 71 77.257 -5.996 9.066 544 HG3 GLU 71 HG1 GLU 71 75.942 -4.877 8.703 545 H ALA 72 HN ALA 72 73.865 -8.418 6.208 546 HA ALA 72 HA ALA 72 73.744 -11.052 7.446 547 HB1 ALA 72 HB1 ALA 72 71.753 -9.784 6.535 548 HB2 ALA 72 HB2 ALA 72 71.878 -11.451 5.973 549 HB3 ALA 72 HB3 ALA 72 72.362 -10.125 4.916 550 H1U RCY 73 H1U RCY 73 76.979 -6.074 2.368 551 H1S RCY 73 H1S RCY 73 74.433 -8.297 3.535 552 HB1 RCY 73 HB1 RCY 73 75.461 -11.586 1.283 553 HB2 RCY 73 HB2 RCY 73 76.567 -10.300 1.765 554 HA RCY 73 HA RCY 73 75.499 -12.508 3.348 555 HN1 RCY 73 HN1 RCY 73 74.646 -9.848 4.200 556 H ASN 74 HN ASN 74 77.223 -9.432 3.993 557 HA ASN 74 HA ASN 74 79.410 -9.071 4.753 558 HB2 ASN 74 HB2 ASN 74 79.891 -10.379 6.536 559 HB3 ASN 74 HB1 ASN 74 78.506 -11.377 6.104 560 HD21 ASN 74 HD21 ASN 74 78.914 -13.370 4.906 561 HD22 ASN 74 HD22 ASN 74 80.479 -14.010 4.754 562 H HIS 75 HN HIS 75 78.573 -10.682 2.107 563 HA HIS 75 HA HIS 75 81.207 -11.797 1.385 564 HD1 HIS 75 HD1 HIS 75 76.770 -12.553 0.478 565 HD2 HIS 75 HD2 HIS 75 80.243 -14.385 1.884 566 HE1 HIS 75 HE1 HIS 75 76.020 -14.467 1.957 567 HE2 HIS 75 HE2 HIS 75 78.125 -15.591 2.819 568 HB2 HIS 75 HB2 HIS 75 78.802 -11.441 -0.417 569 HB3 HIS 75 HB1 HIS 75 80.148 -12.562 -0.620 570 H1U RCY 76 H1U RCY 76 82.397 -1.421 1.420 571 H1S RCY 76 H1S RCY 76 83.521 -6.015 1.325 572 HB1 RCY 76 HB1 RCY 76 80.787 -7.342 0.684 573 HB2 RCY 76 HB2 RCY 76 80.827 -6.153 -0.616 574 HA RCY 76 HA RCY 76 79.590 -7.712 -1.734 575 HN1 RCY 76 HN1 RCY 76 79.108 -9.695 -0.579 576 H GLU 77 HN GLU 77 82.176 -10.055 -1.249 577 HA GLU 77 HA GLU 77 83.799 -9.202 -3.472 578 HB2 GLU 77 HB2 GLU 77 83.559 -11.910 -2.125 579 HB3 GLU 77 HB1 GLU 77 84.822 -11.466 -3.274 580 HG2 GLU 77 HG2 GLU 77 85.386 -9.526 -1.732 581 HG3 GLU 77 HG1 GLU 77 84.307 -10.261 -0.546 582 H LEU 78 HN LEU 78 81.989 -12.280 -3.281 583 HA LEU 78 HA LEU 78 80.495 -11.774 -5.705 584 HG LEU 78 HG LEU 78 81.199 -14.772 -6.878 585 HB2 LEU 78 HB2 LEU 78 82.602 -12.084 -6.832 586 HB3 LEU 78 HB1 LEU 78 82.981 -13.502 -5.856 587 HD11 LEU 78 HD11 LEU 78 80.436 -12.088 -8.024 588 HD12 LEU 78 HD12 LEU 78 79.430 -13.230 -7.133 589 HD13 LEU 78 HD13 LEU 78 79.908 -13.585 -8.793 590 HD21 LEU 78 HD21 LEU 78 81.889 -14.671 -9.286 591 HD22 LEU 78 HD22 LEU 78 83.261 -14.701 -8.179 592 HD23 LEU 78 HD23 LEU 78 82.770 -13.184 -8.933 593 H HIS 79 HN HIS 79 78.658 -12.862 -5.186 594 HA HIS 79 HA HIS 79 78.696 -15.711 -4.678 595 HD1 HIS 79 HD1 HIS 79 78.419 -17.389 -3.870 596 HD2 HIS 79 HD2 HIS 79 76.932 -15.818 -0.303 597 HE1 HIS 79 HE1 HIS 79 77.416 -19.334 -2.595 598 HE2 HIS 79 HE2 HIS 79 76.507 -18.392 -0.422 599 HB2 HIS 79 HB2 HIS 79 79.370 -14.662 -2.437 600 HB3 HIS 79 HB1 HIS 79 77.730 -14.018 -2.367 601 H GLU 80 HN GLU 80 76.490 -13.215 -3.402 602 HA GLU 80 HA GLU 80 74.227 -14.516 -4.705 603 HB2 GLU 80 HB2 GLU 80 72.994 -12.461 -3.770 604 HB3 GLU 80 HB1 GLU 80 73.749 -13.533 -2.595 605 HG2 GLU 80 HG2 GLU 80 75.436 -11.324 -3.663 606 HG3 GLU 80 HG1 GLU 80 74.136 -10.869 -2.561 607 H LEU 81 HN LEU 81 73.236 -11.505 -5.075 608 HA LEU 81 HA LEU 81 73.524 -11.522 -7.930 609 HG LEU 81 HG LEU 81 73.695 -8.161 -6.493 610 HB2 LEU 81 HB2 LEU 81 72.263 -9.515 -7.930 611 HB3 LEU 81 HB1 LEU 81 71.666 -10.416 -6.540 612 HD11 LEU 81 HD11 LEU 81 70.851 -8.449 -5.488 613 HD12 LEU 81 HD12 LEU 81 71.444 -7.321 -6.707 614 HD13 LEU 81 HD13 LEU 81 71.917 -7.125 -5.019 615 HD21 LEU 81 HD21 LEU 81 72.738 -10.089 -4.370 616 HD22 LEU 81 HD22 LEU 81 73.400 -8.508 -3.954 617 HD23 LEU 81 HD23 LEU 81 74.398 -9.684 -4.809 618 H ALA 82 HN ALA 82 75.848 -10.943 -5.702 619 HA ALA 82 HA ALA 82 77.096 -8.545 -6.713 620 HB1 ALA 82 HB1 ALA 82 79.091 -9.338 -5.495 621 HB2 ALA 82 HB2 ALA 82 78.332 -10.915 -5.276 622 HB3 ALA 82 HB3 ALA 82 77.645 -9.491 -4.496 623 H GLN 83 HN GLN 83 76.275 -10.633 -8.721 624 HA GLN 83 HA GLN 83 78.582 -11.928 -9.794 625 HB2 GLN 83 HB2 GLN 83 75.990 -11.010 -11.058 626 HB3 GLN 83 HB1 GLN 83 77.219 -11.907 -11.952 627 HG2 GLN 83 HG2 GLN 83 76.157 -12.925 -9.319 628 HG3 GLN 83 HG1 GLN 83 75.320 -13.268 -10.834 629 HE21 GLN 83 HE21 GLN 83 76.053 -15.588 -10.032 630 HE22 GLN 83 HE22 GLN 83 77.561 -16.120 -10.603 631 H TYR 84 HN TYR 84 77.287 -8.666 -10.221 632 HA TYR 84 HA TYR 84 79.797 -7.968 -11.688 633 HD1 TYR 84 HD2 TYR 84 75.653 -6.847 -11.370 634 HD2 TYR 84 HD1 TYR 84 77.543 -9.556 -14.117 635 HE1 TYR 84 HE2 TYR 84 73.571 -8.191 -11.478 636 HE2 TYR 84 HE1 TYR 84 75.462 -10.900 -14.224 637 HH TYR 84 HH TYR 84 72.612 -10.031 -12.266 638 HB2 TYR 84 HB2 TYR 84 77.750 -6.246 -12.641 639 HB3 TYR 84 HB1 TYR 84 78.601 -7.495 -13.548 640 H GLY 85 HN GLY 85 77.323 -7.142 -9.390 641 HA2 GLY 85 HA2 GLY 85 77.568 -5.604 -7.589 642 HA3 GLY 85 HA1 GLY 85 79.030 -4.981 -8.355 643 H ILE 86 HN ILE 86 77.235 -4.911 -10.921 644 HA ILE 86 HA ILE 86 76.030 -3.253 -12.057 645 HB ILE 86 HB ILE 86 74.895 -2.466 -9.365 646 HG12 ILE 86 HG12 ILE 86 74.903 -4.990 -9.768 647 HG13 ILE 86 HG11 ILE 86 73.316 -4.261 -9.521 648 HG21 ILE 86 HG21 ILE 86 73.922 -2.391 -12.230 649 HG22 ILE 86 HG22 ILE 86 74.185 -1.026 -11.144 650 HG23 ILE 86 HG23 ILE 86 72.851 -2.141 -10.851 651 HD11 ILE 86 HD11 ILE 86 74.556 -4.830 -12.230 652 HD12 ILE 86 HD12 ILE 86 72.939 -4.187 -11.938 653 HD13 ILE 86 HD13 ILE 86 73.334 -5.835 -11.449 654 H1U RCY 87 H1U RCY 87 78.371 -2.369 -2.075 655 H1S RCY 87 H1S RCY 87 80.312 -1.725 -5.717 656 HB1 RCY 87 HB1 RCY 87 79.654 0.410 -8.153 657 HB2 RCY 87 HB2 RCY 87 80.645 -0.770 -9.011 658 HA RCY 87 HA RCY 87 78.018 0.389 -9.747 659 HN1 RCY 87 HN1 RCY 87 78.260 -2.508 -9.620 Start of MODEL 83 1 HA MET 1 HA MET 1 60.807 8.787 -10.451 2 HB2 MET 1 HB2 MET 1 63.500 10.047 -10.833 3 HB3 MET 1 HB1 MET 1 62.530 10.559 -9.451 4 HG2 MET 1 HG2 MET 1 62.923 7.631 -10.042 5 HG3 MET 1 HG1 MET 1 64.143 8.536 -9.145 6 HE1 MET 1 HE1 MET 1 61.471 6.236 -8.858 7 HE2 MET 1 HE2 MET 1 61.296 6.231 -7.105 8 HE3 MET 1 HE3 MET 1 62.898 6.085 -7.824 9 H ASN 2 HN ASN 2 59.393 10.339 -9.668 10 HA ASN 2 HA ASN 2 57.953 12.189 -9.825 11 HB2 ASN 2 HB2 ASN 2 60.644 13.425 -10.462 12 HB3 ASN 2 HB1 ASN 2 59.179 14.377 -10.218 13 HD21 ASN 2 HD21 ASN 2 61.110 14.925 -8.389 14 HD22 ASN 2 HD22 ASN 2 60.788 14.188 -6.894 15 H LEU 3 HN LEU 3 57.378 10.796 -11.933 16 HA LEU 3 HA LEU 3 56.777 12.714 -13.997 17 HG LEU 3 HG LEU 3 57.055 12.091 -16.371 18 HB2 LEU 3 HB2 LEU 3 59.279 12.081 -14.358 19 HB3 LEU 3 HB1 LEU 3 58.648 10.537 -14.928 20 HD11 LEU 3 HD11 LEU 3 58.089 14.136 -15.200 21 HD12 LEU 3 HD12 LEU 3 57.979 14.201 -16.959 22 HD13 LEU 3 HD13 LEU 3 59.520 13.830 -16.184 23 HD21 LEU 3 HD21 LEU 3 59.970 11.481 -16.929 24 HD22 LEU 3 HD22 LEU 3 58.863 12.086 -18.161 25 HD23 LEU 3 HD23 LEU 3 58.565 10.524 -17.398 26 H GLU 4 HN GLU 4 57.550 9.229 -14.223 27 HA GLU 4 HA GLU 4 54.781 8.756 -15.164 28 HB2 GLU 4 HB2 GLU 4 56.884 7.817 -16.313 29 HB3 GLU 4 HB1 GLU 4 56.983 6.700 -14.951 30 HG2 GLU 4 HG2 GLU 4 54.741 5.856 -15.433 31 HG3 GLU 4 HG1 GLU 4 54.555 7.028 -16.739 32 HA PRO 5 HA PRO 5 53.267 7.544 -11.144 33 HB2 PRO 5 HB2 PRO 5 52.026 5.341 -12.761 34 HB3 PRO 5 HB1 PRO 5 51.288 6.382 -11.527 35 HG2 PRO 5 HG2 PRO 5 50.919 6.806 -14.143 36 HG3 PRO 5 HG1 PRO 5 51.017 8.136 -12.979 37 HD2 PRO 5 HD2 PRO 5 52.970 7.328 -15.052 38 HD3 PRO 5 HD1 PRO 5 52.782 8.892 -14.229 39 HA PRO 6 HA PRO 6 56.167 4.260 -10.166 40 HB2 PRO 6 HB2 PRO 6 55.552 3.918 -7.541 41 HB3 PRO 6 HB1 PRO 6 56.418 5.350 -8.134 42 HG2 PRO 6 HG2 PRO 6 53.540 5.049 -7.431 43 HG3 PRO 6 HG1 PRO 6 54.646 6.396 -7.112 44 HD2 PRO 6 HD2 PRO 6 52.816 6.392 -9.171 45 HD3 PRO 6 HD1 PRO 6 54.328 7.326 -9.201 46 H LYS 7 HN LYS 7 56.137 1.975 -9.347 47 HA LYS 7 HA LYS 7 53.430 0.722 -9.352 48 HB2 LYS 7 HB2 LYS 7 54.567 -1.154 -10.754 49 HB3 LYS 7 HB1 LYS 7 54.049 0.312 -11.586 50 HG2 LYS 7 HG2 LYS 7 56.254 1.169 -11.693 51 HG3 LYS 7 HG1 LYS 7 56.839 0.044 -10.467 52 HD2 LYS 7 HD2 LYS 7 56.375 -1.842 -12.043 53 HD3 LYS 7 HD1 LYS 7 55.942 -0.658 -13.277 54 HE2 LYS 7 HE2 LYS 7 58.197 0.339 -13.110 55 HE3 LYS 7 HE1 LYS 7 58.632 -0.857 -11.889 56 HZ1 LYS 7 HZ1 LYS 7 59.377 -1.928 -13.722 57 HZ2 LYS 7 HZ2 LYS 7 58.264 -1.180 -14.765 58 HZ3 LYS 7 HZ3 LYS 7 57.771 -2.470 -13.776 59 H ALA 8 HN ALA 8 56.095 -1.389 -9.660 60 HA ALA 8 HA ALA 8 57.139 -2.829 -8.132 61 HB1 ALA 8 HB1 ALA 8 57.953 -1.891 -6.146 62 HB2 ALA 8 HB2 ALA 8 56.525 -0.882 -5.919 63 HB3 ALA 8 HB3 ALA 8 57.712 -0.464 -7.154 64 H GLU 9 HN GLU 9 56.237 -2.754 -5.202 65 HA GLU 9 HA GLU 9 53.432 -3.626 -5.377 66 HB2 GLU 9 HB2 GLU 9 55.308 -5.543 -5.894 67 HB3 GLU 9 HB1 GLU 9 55.180 -5.685 -4.142 68 HG2 GLU 9 HG2 GLU 9 53.503 -7.144 -4.920 69 HG3 GLU 9 HG1 GLU 9 52.611 -5.669 -4.548 70 H1U RCY 10 H1U RCY 10 52.423 -10.436 0.499 71 H1S RCY 10 H1S RCY 10 50.583 -6.294 -0.260 72 HB1 RCY 10 HB1 RCY 10 51.834 -3.345 -0.098 73 HB2 RCY 10 HB2 RCY 10 52.498 -4.950 0.169 74 HA RCY 10 HA RCY 10 53.729 -2.652 -1.104 75 HN1 RCY 10 HN1 RCY 10 53.168 -4.878 -2.948 76 H ARG 11 HN ARG 11 53.682 -5.219 0.916 77 HA ARG 11 HA ARG 11 55.333 -6.487 2.010 78 HE ARG 11 HE ARG 11 59.198 -7.012 -1.321 79 HB2 ARG 11 HB2 ARG 11 56.115 -6.745 -0.538 80 HB3 ARG 11 HB1 ARG 11 57.440 -5.726 0.020 81 HG2 ARG 11 HG2 ARG 11 57.987 -7.307 1.782 82 HG3 ARG 11 HG1 ARG 11 56.573 -8.288 1.391 83 HD2 ARG 11 HD2 ARG 11 58.533 -9.316 0.384 84 HD3 ARG 11 HD1 ARG 11 57.522 -8.651 -0.898 85 HH11 ARG 11 HH21 ARG 11 59.768 -8.854 1.537 86 HH12 ARG 11 HH22 ARG 11 61.390 -8.282 1.743 87 HH21 ARG 11 HH11 ARG 11 61.313 -6.253 -1.069 88 HH22 ARG 11 HH12 ARG 11 62.264 -6.809 0.267 89 H SER 12 HN SER 12 54.996 -3.386 1.930 90 HA SER 12 HA SER 12 57.065 -2.874 3.927 91 HG SER 12 HG SER 12 57.560 -0.558 0.640 92 HB2 SER 12 HB2 SER 12 58.147 -1.034 2.748 93 HB3 SER 12 HB1 SER 12 58.276 -2.493 1.769 94 H ALA 13 HN ALA 13 56.211 -0.044 2.294 95 HA ALA 13 HA ALA 13 54.833 1.737 2.980 96 HB1 ALA 13 HB1 ALA 13 52.477 1.210 3.004 97 HB2 ALA 13 HB2 ALA 13 52.808 -0.484 3.369 98 HB3 ALA 13 HB3 ALA 13 53.238 0.179 1.792 99 H THR 14 HN THR 14 55.756 2.396 4.942 100 HA THR 14 HA THR 14 54.440 1.306 7.403 101 HB THR 14 HB THR 14 56.590 1.706 8.598 102 HG1 THR 14 HG1 THR 14 58.217 2.574 7.584 103 HG21 THR 14 HG21 THR 14 56.059 -0.536 7.727 104 HG22 THR 14 HG22 THR 14 57.793 -0.223 7.639 105 HG23 THR 14 HG23 THR 14 56.802 -0.115 6.184 106 H ARG 15 HN ARG 15 56.362 4.059 6.149 107 HA ARG 15 HA ARG 15 54.356 5.935 7.167 108 HE ARG 15 HE ARG 15 56.444 6.100 11.041 109 HB2 ARG 15 HB2 ARG 15 56.014 5.287 9.095 110 HB3 ARG 15 HB1 ARG 15 57.150 6.319 8.226 111 HG2 ARG 15 HG2 ARG 15 55.223 8.063 8.219 112 HG3 ARG 15 HG1 ARG 15 54.524 7.071 9.499 113 HD2 ARG 15 HD2 ARG 15 57.331 8.217 9.551 114 HD3 ARG 15 HD1 ARG 15 55.948 8.914 10.393 115 HH11 ARG 15 HH21 ARG 15 57.073 9.423 11.712 116 HH12 ARG 15 HH22 ARG 15 57.529 9.142 13.359 117 HH21 ARG 15 HH11 ARG 15 57.036 5.714 13.188 118 HH22 ARG 15 HH12 ARG 15 57.508 7.042 14.195 119 H VAL 16 HN VAL 16 56.223 5.038 4.771 120 HA VAL 16 HA VAL 16 57.156 6.115 2.910 121 HB VAL 16 HB VAL 16 55.812 8.628 3.914 122 HG11 VAL 16 HG11 VAL 16 57.256 8.737 1.887 123 HG12 VAL 16 HG12 VAL 16 55.564 9.071 1.519 124 HG13 VAL 16 HG13 VAL 16 56.256 7.494 1.135 125 HG21 VAL 16 HG21 VAL 16 54.585 6.196 2.584 126 HG22 VAL 16 HG22 VAL 16 53.799 7.774 2.629 127 HG23 VAL 16 HG23 VAL 16 54.131 6.911 4.131 128 H MET 17 HN MET 17 59.123 5.830 4.526 129 HA MET 17 HA MET 17 61.117 6.727 5.383 130 HB2 MET 17 HB2 MET 17 60.556 9.140 3.657 131 HB3 MET 17 HB1 MET 17 62.113 8.412 4.056 132 HG2 MET 17 HG2 MET 17 61.494 6.398 2.754 133 HG3 MET 17 HG1 MET 17 59.959 7.154 2.330 134 HE1 MET 17 HE1 MET 17 59.809 8.543 -0.099 135 HE2 MET 17 HE2 MET 17 60.670 10.054 0.186 136 HE3 MET 17 HE3 MET 17 59.710 9.337 1.478 137 H GLY 18 HN GLY 18 61.948 9.208 6.106 138 HA2 GLY 18 HA2 GLY 18 61.582 11.007 7.591 139 HA3 GLY 18 HA1 GLY 18 59.846 10.735 7.427 140 H GLY 19 HN GLY 19 59.846 11.071 9.821 141 HA2 GLY 19 HA2 GLY 19 59.273 9.846 11.810 142 HA3 GLY 19 HA1 GLY 19 60.175 8.463 11.188 143 HA PRO 20 HA PRO 20 62.595 10.496 14.680 144 HB2 PRO 20 HB2 PRO 20 63.509 7.641 14.662 145 HB3 PRO 20 HB1 PRO 20 63.154 8.702 16.040 146 HG2 PRO 20 HG2 PRO 20 61.450 6.810 15.275 147 HG3 PRO 20 HG1 PRO 20 60.882 8.379 15.871 148 HD2 PRO 20 HD2 PRO 20 60.897 7.322 13.082 149 HD3 PRO 20 HD1 PRO 20 59.793 8.489 13.842 150 H1U RCY 21 H1U RCY 21 63.377 3.615 6.670 151 H1S RCY 21 H1S RCY 21 65.793 4.711 10.428 152 HB1 RCY 21 HB1 RCY 21 66.199 8.424 9.589 153 HB2 RCY 21 HB2 RCY 21 64.501 8.050 9.882 154 HA RCY 21 HA RCY 21 66.208 9.485 11.925 155 HN1 RCY 21 HN1 RCY 21 63.289 8.975 11.690 156 H THR 22 HN THR 22 67.261 10.981 10.551 157 HA THR 22 HA THR 22 65.550 12.641 8.767 158 HB THR 22 HB THR 22 65.471 14.040 10.636 159 HG1 THR 22 HG1 THR 22 67.986 14.850 9.685 160 HG21 THR 22 HG21 THR 22 67.565 14.389 12.069 161 HG22 THR 22 HG22 THR 22 68.246 12.999 11.224 162 HG23 THR 22 HG23 THR 22 66.785 12.812 12.195 163 HA PRO 23 HA PRO 23 69.419 11.426 6.587 164 HB2 PRO 23 HB2 PRO 23 67.862 12.645 4.353 165 HB3 PRO 23 HB1 PRO 23 68.704 11.085 4.423 166 HG2 PRO 23 HG2 PRO 23 66.044 11.252 4.544 167 HG3 PRO 23 HG1 PRO 23 66.946 10.033 5.459 168 HD2 PRO 23 HD2 PRO 23 65.636 12.536 6.442 169 HD3 PRO 23 HD1 PRO 23 65.846 10.974 7.264 170 H ARG 24 HN ARG 24 71.072 12.731 5.515 171 HA ARG 24 HA ARG 24 70.666 15.588 5.141 172 HE ARG 24 HE ARG 24 73.155 12.388 9.977 173 HB2 ARG 24 HB2 ARG 24 72.217 16.353 6.872 174 HB3 ARG 24 HB1 ARG 24 70.887 15.470 7.615 175 HG2 ARG 24 HG2 ARG 24 73.303 13.900 6.830 176 HG3 ARG 24 HG1 ARG 24 73.439 14.947 8.243 177 HD2 ARG 24 HD2 ARG 24 71.480 13.875 9.257 178 HD3 ARG 24 HD1 ARG 24 71.279 12.859 7.829 179 HH11 ARG 24 HH21 ARG 24 72.644 12.189 6.573 180 HH12 ARG 24 HH22 ARG 24 73.742 10.868 6.351 181 HH21 ARG 24 HH11 ARG 24 74.592 10.664 9.707 182 HH22 ARG 24 HH12 ARG 24 74.845 10.005 8.125 183 H LYS 25 HN LYS 25 71.770 13.083 3.834 184 HA LYS 25 HA LYS 25 74.623 13.455 3.575 185 HB2 LYS 25 HB2 LYS 25 73.509 12.193 1.229 186 HB3 LYS 25 HB1 LYS 25 74.456 11.462 2.522 187 HG2 LYS 25 HG2 LYS 25 72.365 10.309 2.526 188 HG3 LYS 25 HG1 LYS 25 72.298 11.420 3.894 189 HD2 LYS 25 HD2 LYS 25 70.293 12.000 2.955 190 HD3 LYS 25 HD1 LYS 25 71.316 13.028 1.951 191 HE2 LYS 25 HE2 LYS 25 70.125 10.339 1.278 192 HE3 LYS 25 HE1 LYS 25 69.984 11.855 0.389 193 HZ1 LYS 25 HZ1 LYS 25 72.360 11.735 -0.091 194 HZ2 LYS 25 HZ2 LYS 25 71.536 10.378 -0.695 195 HZ3 LYS 25 HZ3 LYS 25 72.461 10.251 0.725 196 H GLY 26 HN GLY 26 75.753 14.347 1.746 197 HA2 GLY 26 HA2 GLY 26 74.827 16.846 0.827 198 HA3 GLY 26 HA1 GLY 26 76.121 15.929 0.053 199 HA PRO 27 HA PRO 27 72.617 16.546 -3.008 200 HB2 PRO 27 HB2 PRO 27 75.047 16.051 -4.692 201 HB3 PRO 27 HB1 PRO 27 73.724 17.209 -4.937 202 HG2 PRO 27 HG2 PRO 27 76.093 17.988 -4.014 203 HG3 PRO 27 HG1 PRO 27 74.588 18.715 -3.426 204 HD2 PRO 27 HD2 PRO 27 76.419 16.811 -2.045 205 HD3 PRO 27 HD1 PRO 27 75.343 18.045 -1.354 206 HA PRO 28 HA PRO 28 71.619 12.215 -3.404 207 HB2 PRO 28 HB2 PRO 28 70.970 13.029 -6.220 208 HB3 PRO 28 HB1 PRO 28 70.014 12.062 -5.079 209 HG2 PRO 28 HG2 PRO 28 69.481 14.644 -5.552 210 HG3 PRO 28 HG1 PRO 28 69.233 13.902 -3.964 211 HD2 PRO 28 HD2 PRO 28 71.273 15.873 -4.795 212 HD3 PRO 28 HD1 PRO 28 70.696 15.470 -3.164 213 H LYS 29 HN LYS 29 72.237 10.309 -4.760 214 HA LYS 29 HA LYS 29 73.835 9.014 -5.873 215 HB2 LYS 29 HB2 LYS 29 74.605 11.561 -7.317 216 HB3 LYS 29 HB1 LYS 29 74.784 9.901 -7.883 217 HG2 LYS 29 HG2 LYS 29 72.292 9.666 -7.828 218 HG3 LYS 29 HG1 LYS 29 72.178 11.377 -7.414 219 HD2 LYS 29 HD2 LYS 29 73.530 10.296 -9.904 220 HD3 LYS 29 HD1 LYS 29 71.898 10.965 -9.860 221 HE2 LYS 29 HE2 LYS 29 73.071 13.030 -8.741 222 HE3 LYS 29 HE1 LYS 29 74.527 12.370 -9.485 223 HZ1 LYS 29 HZ1 LYS 29 72.888 12.223 -11.537 224 HZ2 LYS 29 HZ2 LYS 29 73.791 13.623 -11.199 225 HZ3 LYS 29 HZ3 LYS 29 72.159 13.528 -10.734 226 H1U RCY 30 H1U RCY 30 75.813 7.299 -11.056 227 H1S RCY 30 H1S RCY 30 78.381 8.899 -8.390 228 HB1 RCY 30 HB1 RCY 30 79.860 10.319 -5.880 229 HB2 RCY 30 HB2 RCY 30 78.660 10.334 -7.173 230 HA RCY 30 HA RCY 30 77.918 9.546 -4.355 231 HN1 RCY 30 HN1 RCY 30 76.428 9.723 -6.760 232 H LYS 31 HN LYS 31 77.535 11.162 -2.845 233 HA LYS 31 HA LYS 31 77.253 13.944 -3.479 234 HB2 LYS 31 HB2 LYS 31 77.854 14.222 -0.990 235 HB3 LYS 31 HB1 LYS 31 76.424 13.258 -1.360 236 HG2 LYS 31 HG2 LYS 31 77.437 11.270 -0.766 237 HG3 LYS 31 HG1 LYS 31 79.048 11.838 -1.206 238 HD2 LYS 31 HD2 LYS 31 79.186 13.202 0.782 239 HD3 LYS 31 HD1 LYS 31 77.498 12.879 1.180 240 HE2 LYS 31 HE2 LYS 31 79.235 10.496 0.819 241 HE3 LYS 31 HE1 LYS 31 79.549 11.478 2.250 242 HZ1 LYS 31 HZ1 LYS 31 77.400 11.162 3.035 243 HZ2 LYS 31 HZ2 LYS 31 77.822 9.633 2.428 244 HZ3 LYS 31 HZ3 LYS 31 76.806 10.656 1.529 245 H GLN 32 HN GLN 32 79.610 13.769 -1.097 246 HA GLN 32 HA GLN 32 81.759 14.507 -3.055 247 HB2 GLN 32 HB2 GLN 32 80.746 16.329 -1.483 248 HB3 GLN 32 HB1 GLN 32 81.660 15.515 -0.213 249 HG2 GLN 32 HG2 GLN 32 83.691 15.703 -1.774 250 HG3 GLN 32 HG1 GLN 32 82.721 16.839 -2.714 251 HE21 GLN 32 HE21 GLN 32 85.079 16.888 -0.451 252 HE22 GLN 32 HE22 GLN 32 84.648 18.281 0.417 253 H ARG 33 HN ARG 33 80.759 12.281 -0.769 254 HA ARG 33 HA ARG 33 81.942 10.858 0.737 255 HE ARG 33 HE ARG 33 81.431 9.657 -4.503 256 HB2 ARG 33 HB2 ARG 33 83.380 9.330 -0.624 257 HB3 ARG 33 HB1 ARG 33 81.803 9.625 -1.348 258 HG2 ARG 33 HG2 ARG 33 84.128 11.384 -2.085 259 HG3 ARG 33 HG1 ARG 33 83.952 9.803 -2.847 260 HD2 ARG 33 HD2 ARG 33 81.428 11.268 -2.773 261 HD3 ARG 33 HD1 ARG 33 82.682 12.151 -3.645 262 HH11 ARG 33 HH21 ARG 33 84.209 11.698 -4.598 263 HH12 ARG 33 HH22 ARG 33 84.765 11.093 -6.123 264 HH21 ARG 33 HH11 ARG 33 82.142 8.856 -6.494 265 HH22 ARG 33 HH12 ARG 33 83.595 9.484 -7.196 266 H GLN 34 HN GLN 34 84.790 10.059 -0.001 267 HA GLN 34 HA GLN 34 86.933 10.632 0.759 268 HB2 GLN 34 HB2 GLN 34 86.415 12.456 -1.034 269 HB3 GLN 34 HB1 GLN 34 86.189 13.526 0.350 270 HG2 GLN 34 HG2 GLN 34 88.450 12.956 1.163 271 HG3 GLN 34 HG1 GLN 34 88.679 11.892 -0.225 272 HE21 GLN 34 HE21 GLN 34 87.341 15.236 0.094 273 HE22 GLN 34 HE22 GLN 34 88.353 15.907 -1.092 274 H THR 35 HN THR 35 84.716 10.474 2.675 275 HA THR 35 HA THR 35 84.748 12.591 4.570 276 HB THR 35 HB THR 35 84.496 9.676 5.326 277 HG1 THR 35 HG1 THR 35 82.620 11.368 4.042 278 HG21 THR 35 HG21 THR 35 82.892 12.050 6.273 279 HG22 THR 35 HG22 THR 35 84.435 11.621 7.011 280 HG23 THR 35 HG23 THR 35 83.090 10.481 7.054 281 H ARG 36 HN ARG 36 86.376 9.438 5.052 282 HA ARG 36 HA ARG 36 88.949 10.597 5.595 283 HE ARG 36 HE ARG 36 85.024 9.218 10.598 284 HB2 ARG 36 HB2 ARG 36 88.966 10.134 8.068 285 HB3 ARG 36 HB1 ARG 36 87.914 11.472 7.605 286 HG2 ARG 36 HG2 ARG 36 85.964 9.963 7.644 287 HG3 ARG 36 HG1 ARG 36 87.011 8.619 8.101 288 HD2 ARG 36 HD2 ARG 36 87.732 10.170 10.074 289 HD3 ARG 36 HD1 ARG 36 86.241 11.041 9.713 290 HH11 ARG 36 HH21 ARG 36 88.308 8.408 9.931 291 HH12 ARG 36 HH22 ARG 36 88.217 6.854 10.690 292 HH21 ARG 36 HH11 ARG 36 84.887 7.193 11.593 293 HH22 ARG 36 HH12 ARG 36 86.281 6.166 11.630 294 H GLN 37 HN GLN 37 88.244 8.472 4.026 295 HA GLN 37 HA GLN 37 88.791 6.232 3.612 296 HB2 GLN 37 HB2 GLN 37 90.410 6.300 6.160 297 HB3 GLN 37 HB1 GLN 37 90.717 5.375 4.690 298 HG2 GLN 37 HG2 GLN 37 90.962 7.633 3.503 299 HG3 GLN 37 HG1 GLN 37 91.026 8.352 5.113 300 HE21 GLN 37 HE21 GLN 37 92.334 5.384 5.617 301 HE22 GLN 37 HE22 GLN 37 93.972 5.721 5.324 302 H1U RCY 38 H1U RCY 38 87.812 -3.249 3.109 303 H1S RCY 38 H1S RCY 38 86.388 -0.312 5.556 304 HB1 RCY 38 HB1 RCY 38 87.426 1.477 5.852 305 HB2 RCY 38 HB2 RCY 38 87.247 2.198 4.253 306 HA RCY 38 HA RCY 38 85.826 3.943 5.870 307 HN1 RCY 38 HN1 RCY 38 88.113 4.124 4.245 308 H LYS 39 HN LYS 39 89.032 2.603 6.750 309 HA LYS 39 HA LYS 39 89.191 3.819 9.308 310 HB2 LYS 39 HB2 LYS 39 88.663 1.641 10.633 311 HB3 LYS 39 HB1 LYS 39 87.309 2.639 10.104 312 HG2 LYS 39 HG2 LYS 39 86.634 1.125 8.505 313 HG3 LYS 39 HG1 LYS 39 88.275 0.548 8.208 314 HD2 LYS 39 HD2 LYS 39 88.253 -0.647 10.364 315 HD3 LYS 39 HD1 LYS 39 86.616 -0.066 10.673 316 HE2 LYS 39 HE2 LYS 39 85.758 -1.275 8.759 317 HE3 LYS 39 HE1 LYS 39 87.388 -1.727 8.259 318 HZ1 LYS 39 HZ1 LYS 39 86.069 -2.537 10.794 319 HZ2 LYS 39 HZ2 LYS 39 87.637 -2.975 10.307 320 HZ3 LYS 39 HZ3 LYS 39 86.289 -3.529 9.435 321 H SER 40 HN SER 40 91.246 3.653 7.839 322 HA SER 40 HA SER 40 93.400 2.770 7.537 323 HG SER 40 HG SER 40 94.948 0.995 10.040 324 HB2 SER 40 HB2 SER 40 93.198 2.865 10.096 325 HB3 SER 40 HB1 SER 40 92.842 1.142 10.025 326 H LYS 41 HN LYS 41 91.866 1.596 5.805 327 HA LYS 41 HA LYS 41 91.020 -0.993 5.807 328 HB2 LYS 41 HB2 LYS 41 92.267 -1.107 3.456 329 HB3 LYS 41 HB1 LYS 41 90.883 -0.042 3.704 330 HG2 LYS 41 HG2 LYS 41 92.321 1.855 4.100 331 HG3 LYS 41 HG1 LYS 41 93.755 0.828 4.118 332 HD2 LYS 41 HD2 LYS 41 93.209 0.178 1.737 333 HD3 LYS 41 HD1 LYS 41 91.958 1.422 1.753 334 HE2 LYS 41 HE2 LYS 41 94.103 2.246 0.785 335 HE3 LYS 41 HE1 LYS 41 93.626 3.143 2.226 336 HZ1 LYS 41 HZ1 LYS 41 95.158 0.887 2.955 337 HZ2 LYS 41 HZ2 LYS 41 95.483 2.531 3.231 338 HZ3 LYS 41 HZ3 LYS 41 96.004 1.790 1.794 339 HA PRO 42 HA PRO 42 94.939 -2.924 7.116 340 HB2 PRO 42 HB2 PRO 42 93.865 -4.897 8.615 341 HB3 PRO 42 HB1 PRO 42 93.943 -3.223 9.199 342 HG2 PRO 42 HG2 PRO 42 91.631 -4.740 8.128 343 HG3 PRO 42 HG1 PRO 42 91.687 -3.512 9.401 344 HD2 PRO 42 HD2 PRO 42 90.908 -3.070 6.734 345 HD3 PRO 42 HD1 PRO 42 91.337 -1.812 7.912 346 HA PRO 43 HA PRO 43 95.187 -6.186 4.127 347 HB2 PRO 43 HB2 PRO 43 96.855 -7.984 5.404 348 HB3 PRO 43 HB1 PRO 43 97.412 -6.499 4.611 349 HG2 PRO 43 HG2 PRO 43 96.936 -7.034 7.495 350 HG3 PRO 43 HG1 PRO 43 98.211 -6.082 6.716 351 HD2 PRO 43 HD2 PRO 43 96.056 -4.924 7.920 352 HD3 PRO 43 HD1 PRO 43 96.871 -4.196 6.517 353 H LYS 44 HN LYS 44 93.592 -7.648 3.679 354 HA LYS 44 HA LYS 44 93.102 -9.924 5.429 355 HB2 LYS 44 HB2 LYS 44 91.793 -7.870 6.383 356 HB3 LYS 44 HB1 LYS 44 90.719 -8.127 5.009 357 HG2 LYS 44 HG2 LYS 44 89.707 -9.477 6.615 358 HG3 LYS 44 HG1 LYS 44 90.773 -10.640 5.824 359 HD2 LYS 44 HD2 LYS 44 91.397 -11.040 8.002 360 HD3 LYS 44 HD1 LYS 44 92.492 -9.700 7.660 361 HE2 LYS 44 HE2 LYS 44 89.895 -9.662 9.188 362 HE3 LYS 44 HE1 LYS 44 91.475 -9.058 9.684 363 HZ1 LYS 44 HZ1 LYS 44 89.972 -7.261 9.065 364 HZ2 LYS 44 HZ2 LYS 44 89.806 -7.920 7.508 365 HZ3 LYS 44 HZ3 LYS 44 91.311 -7.325 8.025 366 H LYS 45 HN LYS 45 93.060 -11.445 3.836 367 HA LYS 45 HA LYS 45 92.573 -12.468 1.771 368 HB2 LYS 45 HB2 LYS 45 89.935 -11.051 2.268 369 HB3 LYS 45 HB1 LYS 45 90.183 -12.429 1.193 370 HG2 LYS 45 HG2 LYS 45 91.113 -13.651 3.261 371 HG3 LYS 45 HG1 LYS 45 90.388 -12.350 4.205 372 HD2 LYS 45 HD2 LYS 45 88.217 -12.852 2.921 373 HD3 LYS 45 HD1 LYS 45 89.002 -14.348 2.414 374 HE2 LYS 45 HE2 LYS 45 87.829 -14.955 4.377 375 HE3 LYS 45 HE1 LYS 45 89.489 -14.721 4.924 376 HZ1 LYS 45 HZ1 LYS 45 87.118 -13.101 5.427 377 HZ2 LYS 45 HZ2 LYS 45 88.581 -12.265 5.208 378 HZ3 LYS 45 HZ3 LYS 45 88.442 -13.431 6.436 379 H GLY 46 HN GLY 46 90.216 -10.279 0.675 380 HA2 GLY 46 HA2 GLY 46 91.477 -9.611 -1.721 381 HA3 GLY 46 HA1 GLY 46 90.251 -8.592 -0.966 382 H VAL 47 HN VAL 47 93.538 -8.807 -1.811 383 HA VAL 47 HA VAL 47 94.734 -7.136 0.171 384 HB VAL 47 HB VAL 47 95.589 -7.027 -2.711 385 HG11 VAL 47 HG11 VAL 47 97.748 -6.790 -1.793 386 HG12 VAL 47 HG12 VAL 47 97.267 -7.497 -0.251 387 HG13 VAL 47 HG13 VAL 47 96.731 -5.873 -0.682 388 HG21 VAL 47 HG21 VAL 47 95.110 -9.354 -2.506 389 HG22 VAL 47 HG22 VAL 47 95.704 -9.406 -0.846 390 HG23 VAL 47 HG23 VAL 47 96.838 -9.211 -2.183 391 H GLN 48 HN GLN 48 95.143 -4.847 0.117 392 HA GLN 48 HA GLN 48 94.339 -2.641 -0.093 393 HB2 GLN 48 HB2 GLN 48 94.444 -3.614 -2.960 394 HB3 GLN 48 HB1 GLN 48 94.090 -1.942 -2.534 395 HG2 GLN 48 HG2 GLN 48 96.396 -1.824 -2.789 396 HG3 GLN 48 HG1 GLN 48 96.286 -2.192 -1.067 397 HE21 GLN 48 HE21 GLN 48 98.581 -3.103 -1.593 398 HE22 GLN 48 HE22 GLN 48 98.658 -4.719 -2.107 399 H GLY 49 HN GLY 49 92.331 -5.037 -0.047 400 HA2 GLY 49 HA2 GLY 49 89.999 -5.295 -0.174 401 HA3 GLY 49 HA1 GLY 49 89.950 -3.558 0.137 402 H1U RCY 50 H1U RCY 50 84.148 -2.454 -3.379 403 H1S RCY 50 H1S RCY 50 87.908 -2.877 -5.529 404 HB1 RCY 50 HB1 RCY 50 88.679 -5.175 -4.110 405 HB2 RCY 50 HB2 RCY 50 90.093 -5.963 -4.804 406 HA RCY 50 HA RCY 50 91.282 -3.845 -4.916 407 HN1 RCY 50 HN1 RCY 50 91.718 -4.327 -2.660 408 H GLY 51 HN GLY 51 89.999 -2.124 -2.513 409 HA2 GLY 51 HA2 GLY 51 88.230 -0.472 -4.265 410 HA3 GLY 51 HA1 GLY 51 88.191 -0.453 -2.501 411 H ASP 52 HN ASP 52 90.723 -0.074 -1.718 412 HA ASP 52 HA ASP 52 92.331 1.612 -1.434 413 HB2 ASP 52 HB2 ASP 52 92.104 2.042 -4.417 414 HB3 ASP 52 HB1 ASP 52 93.521 2.263 -3.389 415 H ASP 53 HN ASP 53 89.259 2.229 -1.965 416 HA ASP 53 HA ASP 53 89.418 5.013 -1.293 417 HB2 ASP 53 HB2 ASP 53 90.041 5.366 -3.608 418 HB3 ASP 53 HB1 ASP 53 88.721 4.339 -4.167 419 H ILE 54 HN ILE 54 87.608 5.258 -0.069 420 HA ILE 54 HA ILE 54 85.391 3.380 -0.378 421 HB ILE 54 HB ILE 54 84.504 4.323 1.643 422 HG12 ILE 54 HG12 ILE 54 84.724 6.696 1.019 423 HG13 ILE 54 HG11 ILE 54 85.437 6.411 2.608 424 HG21 ILE 54 HG21 ILE 54 86.618 2.965 1.817 425 HG22 ILE 54 HG22 ILE 54 86.387 4.096 3.150 426 HG23 ILE 54 HG23 ILE 54 87.524 4.478 1.857 427 HD11 ILE 54 HD11 ILE 54 87.661 6.070 1.340 428 HD12 ILE 54 HD12 ILE 54 87.053 7.720 1.478 429 HD13 ILE 54 HD13 ILE 54 86.846 6.827 -0.029 430 HA PRO 55 HA PRO 55 83.205 6.245 -3.046 431 HB2 PRO 55 HB2 PRO 55 80.999 4.758 -3.512 432 HB3 PRO 55 HB1 PRO 55 82.579 4.312 -4.187 433 HG2 PRO 55 HG2 PRO 55 81.170 3.197 -1.812 434 HG3 PRO 55 HG1 PRO 55 82.098 2.362 -3.069 435 HD2 PRO 55 HD2 PRO 55 83.106 3.002 -0.568 436 HD3 PRO 55 HD1 PRO 55 84.111 2.739 -2.011 437 H GLY 56 HN GLY 56 83.082 7.090 -0.431 438 HA2 GLY 56 HA2 GLY 56 81.686 8.536 0.816 439 HA3 GLY 56 HA1 GLY 56 80.354 8.128 -0.267 440 H MET 57 HN MET 57 82.091 7.158 2.622 441 HA MET 57 HA MET 57 81.102 4.699 3.313 442 HB2 MET 57 HB2 MET 57 82.440 6.336 4.774 443 HB3 MET 57 HB1 MET 57 80.881 6.999 5.262 444 HG2 MET 57 HG2 MET 57 80.185 4.661 5.914 445 HG3 MET 57 HG1 MET 57 81.848 4.151 5.622 446 HE1 MET 57 HE1 MET 57 81.113 3.365 8.335 447 HE2 MET 57 HE2 MET 57 82.440 4.057 9.265 448 HE3 MET 57 HE3 MET 57 82.744 3.412 7.654 449 H GLU 58 HN GLU 58 79.217 7.605 2.903 450 HA GLU 58 HA GLU 58 76.748 5.992 3.236 451 HB2 GLU 58 HB2 GLU 58 77.561 8.332 4.913 452 HB3 GLU 58 HB1 GLU 58 75.867 8.227 4.433 453 HG2 GLU 58 HG2 GLU 58 77.362 5.915 5.690 454 HG3 GLU 58 HG1 GLU 58 76.443 7.088 6.634 455 H GLY 59 HN GLY 59 74.826 7.739 2.698 456 HA2 GLY 59 HA2 GLY 59 73.969 9.310 1.139 457 HA3 GLY 59 HA1 GLY 59 75.621 9.653 0.622 458 H1U RCY 60 H1U RCY 60 75.943 12.793 -3.307 459 H1S RCY 60 H1S RCY 60 77.224 8.949 -4.647 460 HB1 RCY 60 HB1 RCY 60 75.415 5.782 -2.699 461 HB2 RCY 60 HB2 RCY 60 76.447 7.145 -2.272 462 HA RCY 60 HA RCY 60 74.282 8.321 -3.593 463 HN1 RCY 60 HN1 RCY 60 74.629 9.505 -1.596 464 H GLY 61 HN GLY 61 72.749 7.643 -0.806 465 HA2 GLY 61 HA2 GLY 61 71.493 5.104 -1.482 466 HA3 GLY 61 HA1 GLY 61 71.008 6.181 -0.173 467 H THR 62 HN THR 62 71.004 8.367 -2.436 468 HA THR 62 HA THR 62 68.303 8.739 -2.767 469 HB THR 62 HB THR 62 70.212 10.183 -3.684 470 HG1 THR 62 HG1 THR 62 68.810 10.748 -5.574 471 HG21 THR 62 HG21 THR 62 70.982 9.770 -5.911 472 HG22 THR 62 HG22 THR 62 69.797 8.487 -6.153 473 HG23 THR 62 HG23 THR 62 71.146 8.243 -5.045 474 H ASP 63 HN ASP 63 70.265 6.335 -4.409 475 HA ASP 63 HA ASP 63 68.484 5.632 -6.506 476 HB2 ASP 63 HB2 ASP 63 69.574 3.365 -6.353 477 HB3 ASP 63 HB1 ASP 63 70.722 4.701 -6.445 478 H ILE 64 HN ILE 64 67.914 5.575 -3.217 479 HA ILE 64 HA ILE 64 65.396 4.207 -3.523 480 HB ILE 64 HB ILE 64 67.045 2.282 -3.469 481 HG12 ILE 64 HG12 ILE 64 65.753 1.128 -1.536 482 HG13 ILE 64 HG11 ILE 64 64.874 2.652 -1.406 483 HG21 ILE 64 HG21 ILE 64 68.268 3.711 -1.504 484 HG22 ILE 64 HG22 ILE 64 68.455 1.968 -1.698 485 HG23 ILE 64 HG23 ILE 64 67.295 2.606 -0.533 486 HD11 ILE 64 HD11 ILE 64 65.182 1.292 -4.075 487 HD12 ILE 64 HD12 ILE 64 63.959 2.455 -3.562 488 HD13 ILE 64 HD13 ILE 64 63.909 0.798 -2.960 489 H THR 65 HN THR 65 67.894 5.557 -1.495 490 HA THR 65 HA THR 65 67.569 7.186 0.207 491 HB THR 65 HB THR 65 64.777 6.203 0.725 492 HG1 THR 65 HG1 THR 65 64.327 6.682 -1.262 493 HG21 THR 65 HG21 THR 65 64.442 8.539 1.355 494 HG22 THR 65 HG22 THR 65 66.060 8.948 0.785 495 HG23 THR 65 HG23 THR 65 65.858 7.901 2.189 496 H VAL 66 HN VAL 66 66.711 3.814 0.394 497 HA VAL 66 HA VAL 66 67.925 3.752 3.102 498 HB VAL 66 HB VAL 66 66.102 2.250 3.924 499 HG11 VAL 66 HG11 VAL 66 65.025 4.916 2.975 500 HG12 VAL 66 HG12 VAL 66 66.181 4.767 4.299 501 HG13 VAL 66 HG13 VAL 66 64.583 4.035 4.437 502 HG21 VAL 66 HG21 VAL 66 63.923 2.782 2.404 503 HG22 VAL 66 HG22 VAL 66 64.919 1.344 2.181 504 HG23 VAL 66 HG23 VAL 66 65.163 2.754 1.150 505 H ILE 67 HN ILE 67 66.193 1.284 1.141 506 HA ILE 67 HA ILE 67 68.788 -0.187 0.920 507 HB ILE 67 HB ILE 67 66.114 -1.288 1.835 508 HG12 ILE 67 HG12 ILE 67 68.412 -1.998 3.422 509 HG13 ILE 67 HG11 ILE 67 68.368 -0.247 3.213 510 HG21 ILE 67 HG21 ILE 67 67.042 -2.918 0.340 511 HG22 ILE 67 HG22 ILE 67 67.434 -3.462 1.971 512 HG23 ILE 67 HG23 ILE 67 68.666 -2.676 0.983 513 HD11 ILE 67 HD11 ILE 67 66.048 -1.954 4.165 514 HD12 ILE 67 HD12 ILE 67 66.032 -0.200 3.982 515 HD13 ILE 67 HD13 ILE 67 67.066 -0.950 5.198 516 H1U RCY 68 H1U RCY 68 69.573 -1.846 2.289 517 H1S RCY 68 H1S RCY 68 68.943 -1.947 -2.184 518 HB1 RCY 68 HB1 RCY 68 69.216 0.969 -3.534 519 HB2 RCY 68 HB2 RCY 68 68.553 0.044 -4.878 520 HA RCY 68 HA RCY 68 66.866 -0.033 -3.196 521 HN1 RCY 68 HN1 RCY 68 69.015 0.132 -1.308 522 HA PRO 69 HA PRO 69 66.069 -4.360 -3.519 523 HB2 PRO 69 HB2 PRO 69 65.979 -4.612 -6.320 524 HB3 PRO 69 HB1 PRO 69 64.620 -4.169 -5.272 525 HG2 PRO 69 HG2 PRO 69 66.382 -2.442 -6.910 526 HG3 PRO 69 HG1 PRO 69 64.667 -2.258 -6.508 527 HD2 PRO 69 HD2 PRO 69 66.591 -0.754 -5.318 528 HD3 PRO 69 HD1 PRO 69 65.115 -1.249 -4.457 529 H TRP 70 HN TRP 70 68.876 -2.940 -4.851 530 HA TRP 70 HA TRP 70 70.067 -5.424 -5.839 531 HD1 TRP 70 HD1 TRP 70 73.179 -5.587 -5.610 532 HE1 TRP 70 HE1 TRP 70 74.219 -6.334 -7.846 533 HE3 TRP 70 HE3 TRP 70 70.569 -2.608 -8.832 534 HZ2 TRP 70 HZ2 TRP 70 73.975 -5.744 -10.639 535 HZ3 TRP 70 HZ3 TRP 70 70.991 -2.720 -11.269 536 HH2 TRP 70 HH2 TRP 70 72.687 -4.281 -12.177 537 HB2 TRP 70 HB2 TRP 70 70.578 -2.811 -6.362 538 HB3 TRP 70 HB1 TRP 70 71.804 -3.104 -5.132 539 H GLU 71 HN GLU 71 69.732 -3.815 -2.812 540 HA GLU 71 HA GLU 71 72.029 -5.181 -1.570 541 HB2 GLU 71 HB2 GLU 71 70.049 -3.109 -0.781 542 HB3 GLU 71 HB1 GLU 71 70.641 -4.138 0.524 543 HG2 GLU 71 HG2 GLU 71 72.890 -3.492 0.169 544 HG3 GLU 71 HG1 GLU 71 72.539 -2.842 -1.433 545 H ALA 72 HN ALA 72 68.706 -5.815 -2.181 546 HA ALA 72 HA ALA 72 68.024 -7.428 0.054 547 HB1 ALA 72 HB1 ALA 72 66.307 -8.380 -1.341 548 HB2 ALA 72 HB2 ALA 72 67.184 -7.951 -2.809 549 HB3 ALA 72 HB3 ALA 72 66.471 -6.687 -1.806 550 H1U RCY 73 H1U RCY 73 74.791 -6.500 -2.534 551 H1S RCY 73 H1S RCY 73 72.984 -10.112 -0.562 552 HB1 RCY 73 HB1 RCY 73 70.879 -12.217 1.191 553 HB2 RCY 73 HB2 RCY 73 69.993 -10.874 1.906 554 HA RCY 73 HA RCY 73 71.143 -10.534 -0.842 555 HN1 RCY 73 HN1 RCY 73 69.279 -9.081 0.782 556 H ASN 74 HN ASN 74 69.346 -10.880 -2.592 557 HA ASN 74 HA ASN 74 68.478 -13.678 -2.361 558 HB2 ASN 74 HB2 ASN 74 66.381 -11.596 -3.000 559 HB3 ASN 74 HB1 ASN 74 66.145 -13.307 -2.644 560 HD21 ASN 74 HD21 ASN 74 65.905 -13.908 -0.448 561 HD22 ASN 74 HD22 ASN 74 66.044 -12.821 0.848 562 H HIS 75 HN HIS 75 69.794 -11.249 -4.115 563 HA HIS 75 HA HIS 75 69.482 -12.736 -6.621 564 HD1 HIS 75 HD1 HIS 75 67.902 -13.373 -7.991 565 HD2 HIS 75 HD2 HIS 75 65.549 -10.513 -6.072 566 HE1 HIS 75 HE1 HIS 75 65.539 -14.287 -7.971 567 HE2 HIS 75 HE2 HIS 75 64.097 -12.555 -6.805 568 HB2 HIS 75 HB2 HIS 75 68.259 -10.005 -6.216 569 HB3 HIS 75 HB1 HIS 75 68.772 -10.545 -7.814 570 H1U RCY 76 H1U RCY 76 76.347 -7.420 -0.411 571 H1S RCY 76 H1S RCY 76 75.252 -9.824 -3.530 572 HB1 RCY 76 HB1 RCY 76 74.312 -11.483 -4.720 573 HB2 RCY 76 HB2 RCY 76 73.022 -10.282 -4.775 574 HA RCY 76 HA RCY 76 73.248 -10.615 -7.389 575 HN1 RCY 76 HN1 RCY 76 71.824 -12.849 -6.120 576 H GLU 77 HN GLU 77 75.835 -11.447 -6.600 577 HA GLU 77 HA GLU 77 76.171 -13.752 -8.325 578 HB2 GLU 77 HB2 GLU 77 77.870 -11.939 -8.131 579 HB3 GLU 77 HB1 GLU 77 78.190 -12.450 -6.472 580 HG2 GLU 77 HG2 GLU 77 78.900 -14.651 -7.241 581 HG3 GLU 77 HG1 GLU 77 78.472 -14.241 -8.902 582 H LEU 78 HN LEU 78 77.712 -13.536 -5.143 583 HA LEU 78 HA LEU 78 76.345 -16.057 -4.326 584 HG LEU 78 HG LEU 78 77.604 -16.936 -6.188 585 HB2 LEU 78 HB2 LEU 78 79.297 -15.581 -4.654 586 HB3 LEU 78 HB1 LEU 78 78.732 -16.709 -3.424 587 HD11 LEU 78 HD11 LEU 78 80.005 -16.773 -6.601 588 HD12 LEU 78 HD12 LEU 78 79.496 -18.451 -6.787 589 HD13 LEU 78 HD13 LEU 78 80.331 -17.941 -5.320 590 HD21 LEU 78 HD21 LEU 78 78.474 -19.081 -4.241 591 HD22 LEU 78 HD22 LEU 78 77.312 -19.217 -5.561 592 HD23 LEU 78 HD23 LEU 78 76.903 -18.290 -4.117 593 H HIS 79 HN HIS 79 78.060 -16.299 -1.959 594 HA HIS 79 HA HIS 79 78.027 -15.545 0.261 595 HD1 HIS 79 HD1 HIS 79 79.903 -16.009 -0.519 596 HD2 HIS 79 HD2 HIS 79 80.962 -12.152 0.667 597 HE1 HIS 79 HE1 HIS 79 82.323 -16.127 0.220 598 HE2 HIS 79 HE2 HIS 79 82.980 -13.786 0.945 599 HB2 HIS 79 HB2 HIS 79 78.521 -13.091 -1.385 600 HB3 HIS 79 HB1 HIS 79 78.143 -12.870 0.322 601 H GLU 80 HN GLU 80 75.455 -15.725 -1.404 602 HA GLU 80 HA GLU 80 73.762 -13.785 0.091 603 HB2 GLU 80 HB2 GLU 80 73.261 -15.589 -2.284 604 HB3 GLU 80 HB1 GLU 80 71.946 -14.779 -1.430 605 HG2 GLU 80 HG2 GLU 80 73.127 -12.597 -1.803 606 HG3 GLU 80 HG1 GLU 80 74.306 -13.456 -2.796 607 H LEU 81 HN LEU 81 74.989 -16.831 0.511 608 HA LEU 81 HA LEU 81 72.538 -17.968 1.741 609 HG LEU 81 HG LEU 81 73.703 -21.284 1.238 610 HB2 LEU 81 HB2 LEU 81 74.655 -19.131 0.393 611 HB3 LEU 81 HB1 LEU 81 75.076 -19.445 2.072 612 HD11 LEU 81 HD11 LEU 81 73.333 -20.106 3.580 613 HD12 LEU 81 HD12 LEU 81 72.244 -21.386 3.045 614 HD13 LEU 81 HD13 LEU 81 71.764 -19.696 2.885 615 HD21 LEU 81 HD21 LEU 81 71.296 -19.584 0.882 616 HD22 LEU 81 HD22 LEU 81 71.813 -21.007 -0.024 617 HD23 LEU 81 HD23 LEU 81 72.529 -19.433 -0.370 618 H ALA 82 HN ALA 82 75.569 -16.467 2.602 619 HA ALA 82 HA ALA 82 75.771 -17.251 5.326 620 HB1 ALA 82 HB1 ALA 82 76.655 -14.842 3.764 621 HB2 ALA 82 HB2 ALA 82 77.636 -16.092 4.526 622 HB3 ALA 82 HB3 ALA 82 76.846 -14.866 5.518 623 H GLN 83 HN GLN 83 73.150 -15.870 3.932 624 HA GLN 83 HA GLN 83 71.380 -14.526 4.708 625 HB2 GLN 83 HB2 GLN 83 71.071 -16.463 6.179 626 HB3 GLN 83 HB1 GLN 83 72.293 -15.843 7.289 627 HG2 GLN 83 HG2 GLN 83 69.907 -15.380 7.992 628 HG3 GLN 83 HG1 GLN 83 70.923 -13.944 7.859 629 HE21 GLN 83 HE21 GLN 83 70.517 -12.471 6.067 630 HE22 GLN 83 HE22 GLN 83 69.110 -12.582 5.125 631 H TYR 84 HN TYR 84 73.189 -14.306 7.724 632 HA TYR 84 HA TYR 84 72.926 -11.535 8.047 633 HD1 TYR 84 HD2 TYR 84 72.595 -11.125 10.442 634 HD2 TYR 84 HD1 TYR 84 76.808 -11.301 9.625 635 HE1 TYR 84 HE2 TYR 84 72.944 -9.082 11.803 636 HE2 TYR 84 HE1 TYR 84 77.157 -9.258 10.987 637 HH TYR 84 HH TYR 84 75.260 -8.156 13.166 638 HB2 TYR 84 HB2 TYR 84 73.880 -13.301 9.676 639 HB3 TYR 84 HB1 TYR 84 75.422 -13.027 8.871 640 H GLY 85 HN GLY 85 75.054 -13.379 6.011 641 HA2 GLY 85 HA2 GLY 85 76.874 -12.722 4.648 642 HA3 GLY 85 HA1 GLY 85 75.688 -11.529 4.118 643 H ILE 86 HN ILE 86 78.443 -12.079 6.253 644 HA ILE 86 HA ILE 86 78.611 -9.762 7.730 645 HB ILE 86 HB ILE 86 80.412 -11.437 7.743 646 HG12 ILE 86 HG12 ILE 86 82.383 -9.720 7.362 647 HG13 ILE 86 HG11 ILE 86 81.066 -8.564 7.157 648 HG21 ILE 86 HG21 ILE 86 81.633 -10.339 5.259 649 HG22 ILE 86 HG22 ILE 86 80.251 -11.415 5.053 650 HG23 ILE 86 HG23 ILE 86 81.686 -11.978 5.910 651 HD11 ILE 86 HD11 ILE 86 80.162 -9.144 9.348 652 HD12 ILE 86 HD12 ILE 86 81.860 -8.701 9.520 653 HD13 ILE 86 HD13 ILE 86 81.384 -10.399 9.550 654 H1U RCY 87 H1U RCY 87 84.391 -8.426 -1.485 655 H1S RCY 87 H1S RCY 87 84.236 -7.942 2.509 656 HB1 RCY 87 HB1 RCY 87 81.183 -6.954 2.380 657 HB2 RCY 87 HB2 RCY 87 80.914 -8.679 2.167 658 HA RCY 87 HA RCY 87 79.801 -6.883 4.327 659 HN1 RCY 87 HN1 RCY 87 80.252 -9.784 4.527 Start of MODEL 84 1 HA MET 1 HA MET 1 68.227 -15.344 -9.078 2 HB2 MET 1 HB2 MET 1 70.961 -14.051 -8.871 3 HB3 MET 1 HB1 MET 1 70.508 -15.517 -8.002 4 HG2 MET 1 HG2 MET 1 70.189 -16.739 -10.021 5 HG3 MET 1 HG1 MET 1 70.210 -15.273 -11.000 6 HE1 MET 1 HE1 MET 1 72.281 -17.424 -8.473 7 HE2 MET 1 HE2 MET 1 73.633 -17.823 -9.530 8 HE3 MET 1 HE3 MET 1 71.993 -18.252 -10.008 9 H ASN 2 HN ASN 2 66.817 -14.895 -7.431 10 HA ASN 2 HA ASN 2 67.856 -13.404 -5.108 11 HB2 ASN 2 HB2 ASN 2 65.131 -12.513 -5.659 12 HB3 ASN 2 HB1 ASN 2 66.568 -11.550 -5.322 13 HD21 ASN 2 HD21 ASN 2 64.351 -12.388 -7.778 14 HD22 ASN 2 HD22 ASN 2 65.239 -11.813 -9.105 15 H LEU 3 HN LEU 3 66.805 -16.161 -6.017 16 HA LEU 3 HA LEU 3 64.505 -16.488 -4.174 17 HG LEU 3 HG LEU 3 62.998 -17.284 -5.780 18 HB2 LEU 3 HB2 LEU 3 65.838 -18.256 -6.224 19 HB3 LEU 3 HB1 LEU 3 64.711 -18.925 -5.043 20 HD11 LEU 3 HD11 LEU 3 65.229 -16.489 -7.651 21 HD12 LEU 3 HD12 LEU 3 64.261 -15.456 -6.600 22 HD13 LEU 3 HD13 LEU 3 63.541 -16.166 -8.045 23 HD21 LEU 3 HD21 LEU 3 62.486 -18.368 -7.897 24 HD22 LEU 3 HD22 LEU 3 63.193 -19.566 -6.814 25 HD23 LEU 3 HD23 LEU 3 64.169 -18.853 -8.098 26 H GLU 4 HN GLU 4 67.360 -15.940 -3.289 27 HA GLU 4 HA GLU 4 68.190 -18.440 -2.006 28 HB2 GLU 4 HB2 GLU 4 69.220 -15.671 -1.371 29 HB3 GLU 4 HB1 GLU 4 70.057 -17.212 -1.188 30 HG2 GLU 4 HG2 GLU 4 70.980 -16.342 -3.170 31 HG3 GLU 4 HG1 GLU 4 69.731 -17.439 -3.760 32 HA PRO 5 HA PRO 5 65.129 -18.007 1.307 33 HB2 PRO 5 HB2 PRO 5 67.336 -19.513 2.680 34 HB3 PRO 5 HB1 PRO 5 65.584 -19.796 2.727 35 HG2 PRO 5 HG2 PRO 5 67.195 -21.272 1.199 36 HG3 PRO 5 HG1 PRO 5 65.565 -20.825 0.668 37 HD2 PRO 5 HD2 PRO 5 68.184 -19.849 -0.323 38 HD3 PRO 5 HD1 PRO 5 66.604 -19.860 -1.136 39 HA PRO 6 HA PRO 6 67.592 -14.675 3.263 40 HB2 PRO 6 HB2 PRO 6 65.708 -12.753 3.207 41 HB3 PRO 6 HB1 PRO 6 66.592 -13.221 1.741 42 HG2 PRO 6 HG2 PRO 6 63.827 -13.900 2.569 43 HG3 PRO 6 HG1 PRO 6 64.483 -13.597 0.953 44 HD2 PRO 6 HD2 PRO 6 64.008 -16.133 2.094 45 HD3 PRO 6 HD1 PRO 6 64.972 -15.807 0.637 46 H LYS 7 HN LYS 7 67.760 -14.496 5.477 47 HA LYS 7 HA LYS 7 65.632 -15.538 7.181 48 HB2 LYS 7 HB2 LYS 7 67.178 -14.834 9.041 49 HB3 LYS 7 HB1 LYS 7 67.920 -15.924 7.871 50 HG2 LYS 7 HG2 LYS 7 68.182 -13.095 7.131 51 HG3 LYS 7 HG1 LYS 7 68.967 -13.485 8.662 52 HD2 LYS 7 HD2 LYS 7 70.119 -15.394 7.540 53 HD3 LYS 7 HD1 LYS 7 69.407 -14.885 6.008 54 HE2 LYS 7 HE2 LYS 7 70.473 -12.598 6.441 55 HE3 LYS 7 HE1 LYS 7 71.394 -13.384 7.723 56 HZ1 LYS 7 HZ1 LYS 7 71.339 -14.308 4.903 57 HZ2 LYS 7 HZ2 LYS 7 72.331 -14.893 6.152 58 HZ3 LYS 7 HZ3 LYS 7 72.552 -13.318 5.555 59 H ALA 8 HN ALA 8 65.425 -12.937 5.498 60 HA ALA 8 HA ALA 8 65.223 -10.713 7.256 61 HB1 ALA 8 HB1 ALA 8 63.642 -9.796 5.530 62 HB2 ALA 8 HB2 ALA 8 63.694 -11.362 4.720 63 HB3 ALA 8 HB3 ALA 8 65.159 -10.389 4.854 64 H GLU 9 HN GLU 9 64.263 -11.774 9.174 65 HA GLU 9 HA GLU 9 61.351 -12.364 8.939 66 HB2 GLU 9 HB2 GLU 9 62.865 -13.967 10.158 67 HB3 GLU 9 HB1 GLU 9 63.174 -12.696 11.342 68 HG2 GLU 9 HG2 GLU 9 60.894 -12.649 12.038 69 HG3 GLU 9 HG1 GLU 9 60.375 -13.605 10.649 70 H1U RCY 10 H1U RCY 10 62.437 -10.354 7.386 71 H1S RCY 10 H1S RCY 10 65.206 -10.721 11.324 72 HB1 RCY 10 HB1 RCY 10 62.067 -9.286 13.842 73 HB2 RCY 10 HB2 RCY 10 63.177 -7.963 13.494 74 HA RCY 10 HA RCY 10 61.262 -8.730 11.759 75 HN1 RCY 10 HN1 RCY 10 63.504 -10.610 11.200 76 H ARG 11 HN ARG 11 63.102 -8.804 9.325 77 HA ARG 11 HA ARG 11 65.024 -6.827 9.206 78 HE ARG 11 HE ARG 11 65.574 -4.946 8.670 79 HB2 ARG 11 HB2 ARG 11 63.919 -8.270 7.314 80 HB3 ARG 11 HB1 ARG 11 62.867 -6.872 7.102 81 HG2 ARG 11 HG2 ARG 11 65.895 -6.716 7.100 82 HG3 ARG 11 HG1 ARG 11 64.916 -6.828 5.637 83 HD2 ARG 11 HD2 ARG 11 65.074 -4.531 5.795 84 HD3 ARG 11 HD1 ARG 11 63.638 -4.783 6.788 85 HH11 ARG 11 HH21 ARG 11 65.106 -2.813 6.002 86 HH12 ARG 11 HH22 ARG 11 65.888 -1.470 6.766 87 HH21 ARG 11 HH11 ARG 11 66.598 -3.204 9.684 88 HH22 ARG 11 HH12 ARG 11 66.733 -1.692 8.851 89 H SER 12 HN SER 12 61.556 -6.151 8.573 90 HA SER 12 HA SER 12 61.783 -3.638 10.100 91 HG SER 12 HG SER 12 63.205 -3.057 7.128 92 HB2 SER 12 HB2 SER 12 61.242 -3.733 7.125 93 HB3 SER 12 HB1 SER 12 60.802 -2.355 8.130 94 H ALA 13 HN ALA 13 60.131 -4.350 11.467 95 HA ALA 13 HA ALA 13 57.601 -5.324 10.285 96 HB1 ALA 13 HB1 ALA 13 58.671 -6.293 12.402 97 HB2 ALA 13 HB2 ALA 13 56.959 -5.886 12.514 98 HB3 ALA 13 HB3 ALA 13 58.169 -4.809 13.212 99 H THR 14 HN THR 14 58.828 -2.386 10.427 100 HA THR 14 HA THR 14 56.268 -1.059 10.420 101 HB THR 14 HB THR 14 56.571 -1.379 12.881 102 HG1 THR 14 HG1 THR 14 55.504 0.472 12.028 103 HG21 THR 14 HG21 THR 14 58.389 -0.372 14.045 104 HG22 THR 14 HG22 THR 14 58.909 0.516 12.613 105 HG23 THR 14 HG23 THR 14 59.117 -1.233 12.690 106 H ARG 15 HN ARG 15 59.402 -1.307 9.551 107 HA ARG 15 HA ARG 15 60.927 0.127 8.484 108 HE ARG 15 HE ARG 15 60.621 -2.307 5.353 109 HB2 ARG 15 HB2 ARG 15 58.358 1.637 7.908 110 HB3 ARG 15 HB1 ARG 15 59.889 1.867 7.063 111 HG2 ARG 15 HG2 ARG 15 58.747 -0.899 7.223 112 HG3 ARG 15 HG1 ARG 15 58.041 0.240 6.076 113 HD2 ARG 15 HD2 ARG 15 60.064 0.489 4.891 114 HD3 ARG 15 HD1 ARG 15 61.025 -0.159 6.220 115 HH11 ARG 15 HH21 ARG 15 58.254 -0.035 4.295 116 HH12 ARG 15 HH22 ARG 15 57.452 -1.157 3.248 117 HH21 ARG 15 HH11 ARG 15 59.587 -3.786 3.991 118 HH22 ARG 15 HH12 ARG 15 58.206 -3.281 3.076 119 H VAL 16 HN VAL 16 61.567 2.593 8.373 120 HA VAL 16 HA VAL 16 61.457 3.583 11.173 121 HB VAL 16 HB VAL 16 63.314 5.100 10.369 122 HG11 VAL 16 HG11 VAL 16 63.680 2.871 11.482 123 HG12 VAL 16 HG12 VAL 16 64.985 3.346 10.395 124 HG13 VAL 16 HG13 VAL 16 63.799 2.148 9.877 125 HG21 VAL 16 HG21 VAL 16 64.278 4.749 8.207 126 HG22 VAL 16 HG22 VAL 16 62.542 4.904 7.937 127 HG23 VAL 16 HG23 VAL 16 63.297 3.310 7.928 128 H MET 17 HN MET 17 62.010 6.299 10.644 129 HA MET 17 HA MET 17 60.091 7.438 8.802 130 HB2 MET 17 HB2 MET 17 58.641 6.499 10.695 131 HB3 MET 17 HB1 MET 17 59.381 7.721 11.729 132 HG2 MET 17 HG2 MET 17 57.389 8.735 10.920 133 HG3 MET 17 HG1 MET 17 58.681 9.426 9.938 134 HE1 MET 17 HE1 MET 17 55.340 8.896 7.824 135 HE2 MET 17 HE2 MET 17 56.607 10.093 8.080 136 HE3 MET 17 HE3 MET 17 55.708 9.462 9.458 137 H GLY 18 HN GLY 18 62.536 8.212 8.730 138 HA2 GLY 18 HA2 GLY 18 63.818 10.195 8.819 139 HA3 GLY 18 HA1 GLY 18 62.550 10.923 9.807 140 H GLY 19 HN GLY 19 62.382 9.677 12.063 141 HA2 GLY 19 HA2 GLY 19 63.484 8.875 14.011 142 HA3 GLY 19 HA1 GLY 19 64.993 8.811 13.100 143 HA PRO 20 HA PRO 20 64.832 12.525 16.069 144 HB2 PRO 20 HB2 PRO 20 67.465 11.394 16.856 145 HB3 PRO 20 HB1 PRO 20 66.137 11.974 17.877 146 HG2 PRO 20 HG2 PRO 20 66.695 9.372 17.611 147 HG3 PRO 20 HG1 PRO 20 65.039 9.966 17.822 148 HD2 PRO 20 HD2 PRO 20 66.381 8.972 15.336 149 HD3 PRO 20 HD1 PRO 20 64.684 8.813 15.844 150 H1U RCY 21 H1U RCY 21 67.326 7.221 9.541 151 H1S RCY 21 H1S RCY 21 68.098 8.942 13.133 152 HB1 RCY 21 HB1 RCY 21 69.868 13.041 12.911 153 HB2 RCY 21 HB2 RCY 21 69.173 12.106 11.592 154 HA RCY 21 HA RCY 21 67.926 14.138 13.230 155 HN1 RCY 21 HN1 RCY 21 66.315 11.630 13.299 156 H THR 22 HN THR 22 67.764 15.244 11.298 157 HA THR 22 HA THR 22 65.948 14.054 9.239 158 HB THR 22 HB THR 22 66.568 16.947 9.900 159 HG1 THR 22 HG1 THR 22 64.404 16.932 10.557 160 HG21 THR 22 HG21 THR 22 66.192 16.843 7.547 161 HG22 THR 22 HG22 THR 22 64.653 17.333 8.254 162 HG23 THR 22 HG23 THR 22 64.894 15.665 7.736 163 HA PRO 23 HA PRO 23 69.987 13.766 7.082 164 HB2 PRO 23 HB2 PRO 23 68.080 12.920 4.936 165 HB3 PRO 23 HB1 PRO 23 69.600 12.166 5.456 166 HG2 PRO 23 HG2 PRO 23 67.229 11.150 6.134 167 HG3 PRO 23 HG1 PRO 23 68.615 11.100 7.236 168 HD2 PRO 23 HD2 PRO 23 66.173 12.807 7.365 169 HD3 PRO 23 HD1 PRO 23 67.207 12.212 8.683 170 H ARG 24 HN ARG 24 70.481 14.483 4.622 171 HA ARG 24 HA ARG 24 70.043 17.300 4.490 172 HE ARG 24 HE ARG 24 70.032 17.973 1.950 173 HB2 ARG 24 HB2 ARG 24 71.358 15.241 2.872 174 HB3 ARG 24 HB1 ARG 24 70.631 16.495 1.872 175 HG2 ARG 24 HG2 ARG 24 72.539 16.963 4.185 176 HG3 ARG 24 HG1 ARG 24 72.940 17.106 2.473 177 HD2 ARG 24 HD2 ARG 24 71.545 18.999 4.222 178 HD3 ARG 24 HD1 ARG 24 72.348 19.281 2.678 179 HH11 ARG 24 HH21 ARG 24 70.818 20.689 3.922 180 HH12 ARG 24 HH22 ARG 24 69.334 21.522 3.600 181 HH21 ARG 24 HH11 ARG 24 68.089 19.044 1.517 182 HH22 ARG 24 HH12 ARG 24 67.789 20.590 2.238 183 H LYS 25 HN LYS 25 67.810 14.936 4.114 184 HA LYS 25 HA LYS 25 65.703 14.834 3.092 185 HB2 LYS 25 HB2 LYS 25 65.590 17.064 4.307 186 HB3 LYS 25 HB1 LYS 25 66.030 17.829 2.781 187 HG2 LYS 25 HG2 LYS 25 63.625 17.868 2.923 188 HG3 LYS 25 HG1 LYS 25 64.055 16.643 1.728 189 HD2 LYS 25 HD2 LYS 25 63.470 14.880 3.120 190 HD3 LYS 25 HD1 LYS 25 63.753 15.812 4.591 191 HE2 LYS 25 HE2 LYS 25 61.740 17.146 4.161 192 HE3 LYS 25 HE1 LYS 25 61.466 16.274 2.653 193 HZ1 LYS 25 HZ1 LYS 25 60.975 15.449 5.382 194 HZ2 LYS 25 HZ2 LYS 25 61.693 14.264 4.400 195 HZ3 LYS 25 HZ3 LYS 25 60.213 14.963 3.947 196 H GLY 26 HN GLY 26 66.109 13.752 1.162 197 HA2 GLY 26 HA2 GLY 26 66.536 13.467 -1.133 198 HA3 GLY 26 HA1 GLY 26 65.685 15.003 -1.304 199 HA PRO 27 HA PRO 27 70.339 16.138 -0.888 200 HB2 PRO 27 HB2 PRO 27 71.889 13.675 -0.962 201 HB3 PRO 27 HB1 PRO 27 71.806 14.888 0.326 202 HG2 PRO 27 HG2 PRO 27 70.814 12.353 0.522 203 HG3 PRO 27 HG1 PRO 27 70.245 13.730 1.478 204 HD2 PRO 27 HD2 PRO 27 68.984 12.456 -0.926 205 HD3 PRO 27 HD1 PRO 27 68.212 13.172 0.509 206 HA PRO 28 HA PRO 28 71.653 16.207 -5.102 207 HB2 PRO 28 HB2 PRO 28 74.296 15.045 -4.284 208 HB3 PRO 28 HB1 PRO 28 73.955 16.465 -5.293 209 HG2 PRO 28 HG2 PRO 28 74.719 16.700 -2.746 210 HG3 PRO 28 HG1 PRO 28 73.567 17.824 -3.486 211 HD2 PRO 28 HD2 PRO 28 73.078 15.706 -1.466 212 HD3 PRO 28 HD1 PRO 28 72.141 17.176 -1.809 213 H LYS 29 HN LYS 29 71.627 14.797 -6.892 214 HA LYS 29 HA LYS 29 71.018 12.015 -6.346 215 HB2 LYS 29 HB2 LYS 29 71.327 13.672 -8.844 216 HB3 LYS 29 HB1 LYS 29 71.181 11.918 -8.954 217 HG2 LYS 29 HG2 LYS 29 69.062 11.983 -7.738 218 HG3 LYS 29 HG1 LYS 29 69.217 13.726 -7.516 219 HD2 LYS 29 HD2 LYS 29 67.710 13.215 -9.401 220 HD3 LYS 29 HD1 LYS 29 69.162 14.042 -9.965 221 HE2 LYS 29 HE2 LYS 29 70.034 12.131 -10.957 222 HE3 LYS 29 HE1 LYS 29 69.153 11.046 -9.881 223 HZ1 LYS 29 HZ1 LYS 29 68.257 11.076 -12.152 224 HZ2 LYS 29 HZ2 LYS 29 67.900 12.728 -11.982 225 HZ3 LYS 29 HZ3 LYS 29 67.116 11.582 -11.003 226 H1U RCY 30 H1U RCY 30 79.625 11.552 -1.539 227 H1S RCY 30 H1S RCY 30 78.430 10.484 -5.229 228 HB1 RCY 30 HB1 RCY 30 75.024 9.855 -7.525 229 HB2 RCY 30 HB2 RCY 30 74.242 9.768 -5.950 230 HA RCY 30 HA RCY 30 75.821 11.850 -5.435 231 HN1 RCY 30 HN1 RCY 30 73.663 12.775 -5.433 232 H LYS 31 HN LYS 31 76.511 10.418 -8.193 233 HA LYS 31 HA LYS 31 77.376 11.065 -10.281 234 HB2 LYS 31 HB2 LYS 31 75.363 12.811 -10.056 235 HB3 LYS 31 HB1 LYS 31 76.696 13.947 -9.856 236 HG2 LYS 31 HG2 LYS 31 76.482 13.961 -12.169 237 HG3 LYS 31 HG1 LYS 31 77.669 12.671 -11.969 238 HD2 LYS 31 HD2 LYS 31 75.897 10.984 -12.069 239 HD3 LYS 31 HD1 LYS 31 74.673 12.250 -12.189 240 HE2 LYS 31 HE2 LYS 31 75.950 13.051 -14.274 241 HE3 LYS 31 HE1 LYS 31 76.786 11.499 -14.213 242 HZ1 LYS 31 HZ1 LYS 31 74.520 11.846 -15.516 243 HZ2 LYS 31 HZ2 LYS 31 73.881 11.442 -13.994 244 HZ3 LYS 31 HZ3 LYS 31 74.933 10.370 -14.789 245 H GLN 32 HN GLN 32 78.028 12.846 -7.376 246 HA GLN 32 HA GLN 32 79.957 14.020 -6.670 247 HB2 GLN 32 HB2 GLN 32 81.271 11.760 -8.212 248 HB3 GLN 32 HB1 GLN 32 82.004 12.708 -6.919 249 HG2 GLN 32 HG2 GLN 32 81.284 10.849 -5.724 250 HG3 GLN 32 HG1 GLN 32 79.881 11.905 -5.556 251 HE21 GLN 32 HE21 GLN 32 81.037 8.920 -6.982 252 HE22 GLN 32 HE22 GLN 32 79.560 8.453 -7.677 253 H ARG 33 HN ARG 33 82.529 13.949 -8.135 254 HA ARG 33 HA ARG 33 81.876 16.058 -10.111 255 HE ARG 33 HE ARG 33 83.338 18.393 -12.629 256 HB2 ARG 33 HB2 ARG 33 83.835 15.877 -8.178 257 HB3 ARG 33 HB1 ARG 33 84.719 15.395 -9.622 258 HG2 ARG 33 HG2 ARG 33 82.945 17.822 -9.711 259 HG3 ARG 33 HG1 ARG 33 84.558 17.945 -9.008 260 HD2 ARG 33 HD2 ARG 33 85.608 17.651 -11.022 261 HD3 ARG 33 HD1 ARG 33 84.373 16.541 -11.619 262 HH11 ARG 33 HH21 ARG 33 85.298 19.335 -9.953 263 HH12 ARG 33 HH22 ARG 33 85.026 21.030 -10.180 264 HH21 ARG 33 HH11 ARG 33 82.972 20.601 -12.940 265 HH22 ARG 33 HH12 ARG 33 83.709 21.747 -11.871 266 H GLN 34 HN GLN 34 83.125 12.805 -9.905 267 HA GLN 34 HA GLN 34 83.216 12.715 -12.889 268 HB2 GLN 34 HB2 GLN 34 85.316 11.676 -10.969 269 HB3 GLN 34 HB1 GLN 34 85.225 11.188 -12.662 270 HG2 GLN 34 HG2 GLN 34 85.622 13.415 -13.426 271 HG3 GLN 34 HG1 GLN 34 85.360 14.089 -11.817 272 HE21 GLN 34 HE21 GLN 34 87.583 15.040 -11.981 273 HE22 GLN 34 HE22 GLN 34 88.936 14.055 -11.696 274 H THR 35 HN THR 35 82.740 11.076 -9.822 275 HA THR 35 HA THR 35 81.450 9.181 -9.322 276 HB THR 35 HB THR 35 80.721 8.868 -12.223 277 HG1 THR 35 HG1 THR 35 79.265 10.526 -12.020 278 HG21 THR 35 HG21 THR 35 79.917 7.320 -10.391 279 HG22 THR 35 HG22 THR 35 78.631 8.108 -11.306 280 HG23 THR 35 HG23 THR 35 79.058 8.697 -9.700 281 H ARG 36 HN ARG 36 83.882 9.217 -11.747 282 HA ARG 36 HA ARG 36 84.139 6.240 -11.615 283 HE ARG 36 HE ARG 36 81.156 5.103 -14.124 284 HB2 ARG 36 HB2 ARG 36 84.724 8.283 -13.679 285 HB3 ARG 36 HB1 ARG 36 85.969 7.049 -13.497 286 HG2 ARG 36 HG2 ARG 36 84.359 6.269 -15.139 287 HG3 ARG 36 HG1 ARG 36 84.174 5.299 -13.677 288 HD2 ARG 36 HD2 ARG 36 82.308 6.795 -12.965 289 HD3 ARG 36 HD1 ARG 36 82.455 7.660 -14.494 290 HH11 ARG 36 HH21 ARG 36 83.091 7.018 -16.240 291 HH12 ARG 36 HH22 ARG 36 82.529 6.235 -17.679 292 HH21 ARG 36 HH11 ARG 36 80.411 4.070 -15.991 293 HH22 ARG 36 HH12 ARG 36 81.011 4.566 -17.538 294 H GLN 37 HN GLN 37 85.145 8.709 -9.839 295 HA GLN 37 HA GLN 37 88.011 8.468 -9.894 296 HB2 GLN 37 HB2 GLN 37 88.006 9.724 -7.831 297 HB3 GLN 37 HB1 GLN 37 86.767 10.399 -8.881 298 HG2 GLN 37 HG2 GLN 37 86.434 8.704 -6.416 299 HG3 GLN 37 HG1 GLN 37 85.616 10.207 -6.846 300 HE21 GLN 37 HE21 GLN 37 84.013 10.053 -8.701 301 HE22 GLN 37 HE22 GLN 37 83.199 8.584 -8.949 302 H1U RCY 38 H1U RCY 38 84.906 1.435 -3.815 303 H1S RCY 38 H1S RCY 38 86.186 4.617 -6.142 304 HB1 RCY 38 HB1 RCY 38 86.843 3.065 -7.649 305 HB2 RCY 38 HB2 RCY 38 86.765 3.312 -9.394 306 HA RCY 38 HA RCY 38 88.288 4.897 -7.330 307 HN1 RCY 38 HN1 RCY 38 87.892 6.022 -10.051 308 H LYS 39 HN LYS 39 89.041 2.370 -7.878 309 HA LYS 39 HA LYS 39 90.905 2.472 -10.200 310 HB2 LYS 39 HB2 LYS 39 91.736 1.909 -7.335 311 HB3 LYS 39 HB1 LYS 39 92.765 1.666 -8.745 312 HG2 LYS 39 HG2 LYS 39 93.417 3.809 -8.170 313 HG3 LYS 39 HG1 LYS 39 92.067 4.195 -9.238 314 HD2 LYS 39 HD2 LYS 39 91.390 5.438 -7.436 315 HD3 LYS 39 HD1 LYS 39 90.721 3.890 -6.917 316 HE2 LYS 39 HE2 LYS 39 92.797 3.428 -5.649 317 HE3 LYS 39 HE1 LYS 39 93.439 4.994 -6.145 318 HZ1 LYS 39 HZ1 LYS 39 91.635 6.088 -5.021 319 HZ2 LYS 39 HZ2 LYS 39 92.420 5.046 -3.932 320 HZ3 LYS 39 HZ3 LYS 39 90.927 4.602 -4.611 321 H SER 40 HN SER 40 92.075 0.068 -8.423 322 HA SER 40 HA SER 40 91.281 -2.073 -9.952 323 HG SER 40 HG SER 40 92.737 -1.587 -6.408 324 HB2 SER 40 HB2 SER 40 91.605 -3.484 -7.839 325 HB3 SER 40 HB1 SER 40 92.953 -2.451 -8.303 326 H LYS 41 HN LYS 41 89.689 -3.774 -9.674 327 HA LYS 41 HA LYS 41 87.297 -3.042 -8.060 328 HB2 LYS 41 HB2 LYS 41 85.942 -3.874 -10.123 329 HB3 LYS 41 HB1 LYS 41 86.593 -2.236 -10.158 330 HG2 LYS 41 HG2 LYS 41 88.397 -4.372 -11.164 331 HG3 LYS 41 HG1 LYS 41 86.986 -4.017 -12.162 332 HD2 LYS 41 HD2 LYS 41 87.590 -1.632 -12.192 333 HD3 LYS 41 HD1 LYS 41 88.988 -1.966 -11.170 334 HE2 LYS 41 HE2 LYS 41 89.917 -3.444 -12.909 335 HE3 LYS 41 HE1 LYS 41 88.517 -3.126 -13.933 336 HZ1 LYS 41 HZ1 LYS 41 90.771 -1.395 -13.273 337 HZ2 LYS 41 HZ2 LYS 41 89.252 -0.653 -13.439 338 HZ3 LYS 41 HZ3 LYS 41 89.908 -1.546 -14.726 339 HA PRO 42 HA PRO 42 88.019 -7.439 -7.319 340 HB2 PRO 42 HB2 PRO 42 86.274 -7.750 -5.255 341 HB3 PRO 42 HB1 PRO 42 87.846 -6.947 -5.065 342 HG2 PRO 42 HG2 PRO 42 85.138 -5.749 -5.332 343 HG3 PRO 42 HG1 PRO 42 86.502 -5.245 -4.323 344 HD2 PRO 42 HD2 PRO 42 85.827 -4.045 -6.725 345 HD3 PRO 42 HD1 PRO 42 87.453 -4.000 -6.010 346 HA PRO 43 HA PRO 43 84.667 -9.388 -9.474 347 HB2 PRO 43 HB2 PRO 43 84.775 -11.934 -8.494 348 HB3 PRO 43 HB1 PRO 43 86.007 -11.271 -9.586 349 HG2 PRO 43 HG2 PRO 43 86.093 -11.600 -6.629 350 HG3 PRO 43 HG1 PRO 43 87.362 -11.875 -7.834 351 HD2 PRO 43 HD2 PRO 43 87.233 -9.611 -6.288 352 HD3 PRO 43 HD1 PRO 43 87.963 -9.642 -7.908 353 H LYS 44 HN LYS 44 82.450 -9.710 -9.227 354 HA LYS 44 HA LYS 44 81.360 -9.368 -6.509 355 HB2 LYS 44 HB2 LYS 44 79.603 -9.796 -8.903 356 HB3 LYS 44 HB1 LYS 44 79.381 -8.712 -7.532 357 HG2 LYS 44 HG2 LYS 44 81.202 -7.271 -8.372 358 HG3 LYS 44 HG1 LYS 44 81.422 -8.353 -9.748 359 HD2 LYS 44 HD2 LYS 44 78.691 -7.239 -9.212 360 HD3 LYS 44 HD1 LYS 44 79.897 -6.202 -9.974 361 HE2 LYS 44 HE2 LYS 44 80.107 -7.611 -11.848 362 HE3 LYS 44 HE1 LYS 44 79.394 -8.988 -11.006 363 HZ1 LYS 44 HZ1 LYS 44 77.353 -7.402 -10.857 364 HZ2 LYS 44 HZ2 LYS 44 77.645 -8.289 -12.276 365 HZ3 LYS 44 HZ3 LYS 44 78.078 -6.648 -12.193 366 H LYS 45 HN LYS 45 80.100 -11.452 -9.100 367 HA LYS 45 HA LYS 45 78.945 -13.516 -8.750 368 HB2 LYS 45 HB2 LYS 45 80.596 -15.300 -8.690 369 HB3 LYS 45 HB1 LYS 45 81.201 -13.980 -9.689 370 HG2 LYS 45 HG2 LYS 45 82.407 -13.118 -7.620 371 HG3 LYS 45 HG1 LYS 45 81.984 -14.642 -6.838 372 HD2 LYS 45 HD2 LYS 45 83.662 -14.274 -9.334 373 HD3 LYS 45 HD1 LYS 45 84.199 -14.892 -7.772 374 HE2 LYS 45 HE2 LYS 45 83.867 -16.856 -9.020 375 HE3 LYS 45 HE1 LYS 45 82.358 -16.704 -8.119 376 HZ1 LYS 45 HZ1 LYS 45 82.321 -15.260 -10.590 377 HZ2 LYS 45 HZ2 LYS 45 81.210 -16.391 -9.979 378 HZ3 LYS 45 HZ3 LYS 45 82.588 -16.919 -10.821 379 H GLY 46 HN GLY 46 78.676 -11.962 -6.353 380 HA2 GLY 46 HA2 GLY 46 79.381 -13.656 -4.081 381 HA3 GLY 46 HA1 GLY 46 78.370 -12.212 -4.019 382 H VAL 47 HN VAL 47 77.290 -14.028 -2.518 383 HA VAL 47 HA VAL 47 75.679 -15.992 -3.948 384 HB VAL 47 HB VAL 47 75.031 -15.088 -1.159 385 HG11 VAL 47 HG11 VAL 47 74.564 -17.438 -0.846 386 HG12 VAL 47 HG12 VAL 47 75.330 -17.844 -2.382 387 HG13 VAL 47 HG13 VAL 47 73.814 -16.943 -2.364 388 HG21 VAL 47 HG21 VAL 47 76.894 -16.681 -0.412 389 HG22 VAL 47 HG22 VAL 47 77.417 -15.113 -1.027 390 HG23 VAL 47 HG23 VAL 47 77.529 -16.544 -2.051 391 H GLN 48 HN GLN 48 75.377 -12.654 -3.237 392 HA GLN 48 HA GLN 48 72.878 -12.432 -4.650 393 HB2 GLN 48 HB2 GLN 48 71.874 -13.324 -2.639 394 HB3 GLN 48 HB1 GLN 48 72.809 -12.227 -1.624 395 HG2 GLN 48 HG2 GLN 48 71.551 -10.357 -2.253 396 HG3 GLN 48 HG1 GLN 48 71.000 -11.110 -3.751 397 HE21 GLN 48 HE21 GLN 48 70.863 -12.066 -0.263 398 HE22 GLN 48 HE22 GLN 48 69.205 -12.429 -0.282 399 H GLY 49 HN GLY 49 75.708 -11.273 -3.609 400 HA2 GLY 49 HA2 GLY 49 75.498 -8.653 -2.774 401 HA3 GLY 49 HA1 GLY 49 76.703 -9.165 -3.954 402 H1U RCY 50 H1U RCY 50 80.746 -5.545 -3.473 403 H1S RCY 50 H1S RCY 50 77.055 -6.600 -4.924 404 HB1 RCY 50 HB1 RCY 50 74.884 -6.497 -8.603 405 HB2 RCY 50 HB2 RCY 50 76.238 -7.468 -8.027 406 HA RCY 50 HA RCY 50 73.491 -7.453 -6.745 407 HN1 RCY 50 HN1 RCY 50 75.520 -9.549 -6.259 408 H GLY 51 HN GLY 51 72.322 -7.819 -8.645 409 HA2 GLY 51 HA2 GLY 51 72.028 -10.486 -9.532 410 HA3 GLY 51 HA1 GLY 51 71.413 -9.079 -10.400 411 H ASP 52 HN ASP 52 73.561 -7.755 -11.297 412 HA ASP 52 HA ASP 52 75.721 -9.388 -12.269 413 HB2 ASP 52 HB2 ASP 52 73.696 -10.273 -13.578 414 HB3 ASP 52 HB1 ASP 52 73.682 -8.710 -14.394 415 H ASP 53 HN ASP 53 73.854 -6.462 -12.280 416 HA ASP 53 HA ASP 53 76.219 -4.856 -12.728 417 HB2 ASP 53 HB2 ASP 53 75.817 -5.529 -15.061 418 HB3 ASP 53 HB1 ASP 53 74.155 -4.950 -14.950 419 H ILE 54 HN ILE 54 72.657 -4.910 -12.922 420 HA ILE 54 HA ILE 54 72.580 -2.173 -11.768 421 HB ILE 54 HB ILE 54 70.017 -2.623 -12.140 422 HG12 ILE 54 HG12 ILE 54 71.251 -4.626 -14.054 423 HG13 ILE 54 HG11 ILE 54 70.424 -5.079 -12.564 424 HG21 ILE 54 HG21 ILE 54 71.337 -1.010 -13.432 425 HG22 ILE 54 HG22 ILE 54 70.269 -1.910 -14.508 426 HG23 ILE 54 HG23 ILE 54 71.984 -2.312 -14.429 427 HD11 ILE 54 HD11 ILE 54 68.394 -3.866 -13.376 428 HD12 ILE 54 HD12 ILE 54 68.846 -5.219 -14.414 429 HD13 ILE 54 HD13 ILE 54 69.225 -3.567 -14.902 430 HA PRO 55 HA PRO 55 71.817 -4.469 -7.921 431 HB2 PRO 55 HB2 PRO 55 72.527 -2.509 -6.199 432 HB3 PRO 55 HB1 PRO 55 73.734 -3.437 -7.111 433 HG2 PRO 55 HG2 PRO 55 72.698 -0.696 -7.610 434 HG3 PRO 55 HG1 PRO 55 74.338 -1.336 -7.798 435 HD2 PRO 55 HD2 PRO 55 72.530 -0.975 -9.888 436 HD3 PRO 55 HD1 PRO 55 73.936 -2.060 -9.939 437 H GLY 56 HN GLY 56 71.213 -1.261 -6.741 438 HA2 GLY 56 HA2 GLY 56 68.449 -1.966 -6.111 439 HA3 GLY 56 HA1 GLY 56 69.249 -0.448 -5.701 440 H MET 57 HN MET 57 69.288 -1.657 -8.983 441 HA MET 57 HA MET 57 68.509 -0.616 -10.947 442 HB2 MET 57 HB2 MET 57 66.067 -0.428 -9.157 443 HB3 MET 57 HB1 MET 57 66.049 -0.144 -10.898 444 HG2 MET 57 HG2 MET 57 66.546 -2.386 -11.397 445 HG3 MET 57 HG1 MET 57 67.185 -2.701 -9.784 446 HE1 MET 57 HE1 MET 57 63.900 -3.186 -11.993 447 HE2 MET 57 HE2 MET 57 64.372 -1.499 -11.808 448 HE3 MET 57 HE3 MET 57 62.874 -2.074 -11.079 449 H GLU 58 HN GLU 58 69.659 1.106 -8.673 450 HA GLU 58 HA GLU 58 69.951 3.395 -8.232 451 HB2 GLU 58 HB2 GLU 58 70.512 3.193 -10.723 452 HB3 GLU 58 HB1 GLU 58 68.887 3.805 -11.034 453 HG2 GLU 58 HG2 GLU 58 70.322 5.719 -11.041 454 HG3 GLU 58 HG1 GLU 58 69.469 5.757 -9.498 455 H GLY 59 HN GLY 59 67.717 2.636 -7.022 456 HA2 GLY 59 HA2 GLY 59 65.800 4.844 -7.617 457 HA3 GLY 59 HA1 GLY 59 65.191 3.208 -7.355 458 H1U RCY 60 H1U RCY 60 71.665 8.988 1.210 459 H1S RCY 60 H1S RCY 60 69.868 6.418 -2.512 460 HB1 RCY 60 HB1 RCY 60 66.609 5.511 -2.716 461 HB2 RCY 60 HB2 RCY 60 67.822 5.257 -3.966 462 HA RCY 60 HA RCY 60 67.377 2.697 -2.972 463 HN1 RCY 60 HN1 RCY 60 67.191 2.573 -5.306 464 H GLY 61 HN GLY 61 65.791 1.694 -1.890 465 HA2 GLY 61 HA2 GLY 61 63.735 2.578 -0.456 466 HA3 GLY 61 HA1 GLY 61 63.006 2.696 -2.062 467 H THR 62 HN THR 62 65.010 0.289 -2.561 468 HA THR 62 HA THR 62 63.152 -1.822 -1.511 469 HB THR 62 HB THR 62 63.246 -2.969 -3.557 470 HG1 THR 62 HG1 THR 62 65.441 -2.972 -3.878 471 HG21 THR 62 HG21 THR 62 63.501 -0.069 -4.398 472 HG22 THR 62 HG22 THR 62 62.034 -0.777 -3.721 473 HG23 THR 62 HG23 THR 62 62.660 -1.353 -5.266 474 H ASP 63 HN ASP 63 66.324 -1.860 -3.167 475 HA ASP 63 HA ASP 63 67.320 -3.952 -1.437 476 HB2 ASP 63 HB2 ASP 63 69.480 -3.537 -2.560 477 HB3 ASP 63 HB1 ASP 63 68.170 -3.627 -3.738 478 H ILE 64 HN ILE 64 67.779 -0.432 -1.590 479 HA ILE 64 HA ILE 64 69.442 -0.516 0.852 480 HB ILE 64 HB ILE 64 68.848 1.493 -1.271 481 HG12 ILE 64 HG12 ILE 64 70.981 0.004 -0.823 482 HG13 ILE 64 HG11 ILE 64 71.175 1.675 -1.353 483 HG21 ILE 64 HG21 ILE 64 68.121 2.808 0.579 484 HG22 ILE 64 HG22 ILE 64 69.798 3.281 0.304 485 HG23 ILE 64 HG23 ILE 64 69.397 2.180 1.622 486 HD11 ILE 64 HD11 ILE 64 72.572 0.901 0.682 487 HD12 ILE 64 HD12 ILE 64 71.055 0.971 1.578 488 HD13 ILE 64 HD13 ILE 64 71.702 2.428 0.825 489 H THR 65 HN THR 65 66.190 -0.133 -0.066 490 HA THR 65 HA THR 65 64.345 0.911 1.059 491 HB THR 65 HB THR 65 64.365 -1.375 1.892 492 HG1 THR 65 HG1 THR 65 63.389 0.638 3.158 493 HG21 THR 65 HG21 THR 65 66.660 -1.582 2.601 494 HG22 THR 65 HG22 THR 65 65.643 -1.878 4.010 495 HG23 THR 65 HG23 THR 65 66.451 -0.323 3.818 496 H VAL 66 HN VAL 66 66.489 2.682 1.094 497 HA VAL 66 HA VAL 66 67.152 4.638 2.202 498 HB VAL 66 HB VAL 66 65.297 3.884 4.466 499 HG11 VAL 66 HG11 VAL 66 66.832 5.856 4.675 500 HG12 VAL 66 HG12 VAL 66 65.125 6.296 4.730 501 HG13 VAL 66 HG13 VAL 66 66.057 6.559 3.256 502 HG21 VAL 66 HG21 VAL 66 64.656 4.900 1.701 503 HG22 VAL 66 HG22 VAL 66 63.634 5.332 3.072 504 HG23 VAL 66 HG23 VAL 66 63.844 3.638 2.629 505 H ILE 67 HN ILE 67 66.794 1.741 4.199 506 HA ILE 67 HA ILE 67 69.525 2.225 5.282 507 HB ILE 67 HB ILE 67 67.064 1.471 6.892 508 HG12 ILE 67 HG12 ILE 67 68.667 3.531 8.047 509 HG13 ILE 67 HG11 ILE 67 68.413 3.940 6.350 510 HG21 ILE 67 HG21 ILE 67 70.013 1.317 7.525 511 HG22 ILE 67 HG22 ILE 67 68.783 0.070 7.734 512 HG23 ILE 67 HG23 ILE 67 68.802 1.476 8.798 513 HD11 ILE 67 HD11 ILE 67 65.961 3.516 6.678 514 HD12 ILE 67 HD12 ILE 67 66.574 4.861 7.640 515 HD13 ILE 67 HD13 ILE 67 66.274 3.298 8.400 516 H1U RCY 68 H1U RCY 68 77.200 -2.355 3.247 517 H1S RCY 68 H1S RCY 68 73.708 -4.156 2.381 518 HB1 RCY 68 HB1 RCY 68 71.950 -1.095 3.264 519 HB2 RCY 68 HB2 RCY 68 70.738 -1.363 2.016 520 HA RCY 68 HA RCY 68 69.088 -2.004 3.638 521 HN1 RCY 68 HN1 RCY 68 70.352 0.556 3.925 522 HA PRO 69 HA PRO 69 69.632 -3.696 7.738 523 HB2 PRO 69 HB2 PRO 69 70.206 -6.170 6.136 524 HB3 PRO 69 HB1 PRO 69 69.148 -5.963 7.546 525 HG2 PRO 69 HG2 PRO 69 68.173 -6.101 5.063 526 HG3 PRO 69 HG1 PRO 69 67.441 -5.067 6.300 527 HD2 PRO 69 HD2 PRO 69 69.006 -4.289 3.904 528 HD3 PRO 69 HD1 PRO 69 67.834 -3.339 4.843 529 H TRP 70 HN TRP 70 72.028 -3.642 5.279 530 HA TRP 70 HA TRP 70 74.133 -4.941 6.836 531 HD1 TRP 70 HD1 TRP 70 76.786 -5.747 4.303 532 HE1 TRP 70 HE1 TRP 70 76.152 -8.121 3.526 533 HE3 TRP 70 HE3 TRP 70 71.696 -5.414 4.520 534 HZ2 TRP 70 HZ2 TRP 70 73.793 -9.676 3.058 535 HZ3 TRP 70 HZ3 TRP 70 70.282 -7.350 3.905 536 HH2 TRP 70 HH2 TRP 70 71.320 -9.479 3.175 537 HB2 TRP 70 HB2 TRP 70 73.949 -3.503 4.211 538 HB3 TRP 70 HB1 TRP 70 75.534 -3.649 4.965 539 H GLU 71 HN GLU 71 72.827 -1.728 6.531 540 HA GLU 71 HA GLU 71 75.021 -0.142 7.328 541 HB2 GLU 71 HB2 GLU 71 72.071 0.150 7.942 542 HB3 GLU 71 HB1 GLU 71 73.268 1.394 8.300 543 HG2 GLU 71 HG2 GLU 71 73.045 0.223 5.532 544 HG3 GLU 71 HG1 GLU 71 71.995 1.546 6.041 545 H ALA 72 HN ALA 72 73.647 -2.681 9.027 546 HA ALA 72 HA ALA 72 73.656 -1.734 11.713 547 HB1 ALA 72 HB1 ALA 72 72.663 -3.877 11.174 548 HB2 ALA 72 HB2 ALA 72 73.983 -4.152 12.312 549 HB3 ALA 72 HB3 ALA 72 74.211 -4.496 10.596 550 H1U RCY 73 H1U RCY 73 78.001 -1.911 4.859 551 H1S RCY 73 H1S RCY 73 76.916 -1.900 8.039 552 HB1 RCY 73 HB1 RCY 73 79.871 -1.961 9.776 553 HB2 RCY 73 HB2 RCY 73 78.619 -1.032 8.954 554 HA RCY 73 HA RCY 73 78.296 -2.676 11.479 555 HN1 RCY 73 HN1 RCY 73 76.231 -1.770 9.616 556 H ASN 74 HN ASN 74 76.635 0.290 10.805 557 HA ASN 74 HA ASN 74 76.790 2.407 11.800 558 HB2 ASN 74 HB2 ASN 74 76.912 0.943 13.882 559 HB3 ASN 74 HB1 ASN 74 78.665 1.121 13.799 560 HD21 ASN 74 HD21 ASN 74 79.583 3.197 14.334 561 HD22 ASN 74 HD22 ASN 74 78.652 4.460 14.981 562 H HIS 75 HN HIS 75 79.481 0.741 10.591 563 HA HIS 75 HA HIS 75 81.625 2.530 11.085 564 HD1 HIS 75 HD1 HIS 75 83.038 0.504 7.037 565 HD2 HIS 75 HD2 HIS 75 83.497 3.562 9.837 566 HE1 HIS 75 HE1 HIS 75 84.987 1.915 6.243 567 HE2 HIS 75 HE2 HIS 75 85.277 3.780 7.939 568 HB2 HIS 75 HB2 HIS 75 82.043 0.391 10.039 569 HB3 HIS 75 HB1 HIS 75 80.996 0.792 8.679 570 H1U RCY 76 H1U RCY 76 80.645 2.643 4.184 571 H1S RCY 76 H1S RCY 76 77.704 5.136 6.894 572 HB1 RCY 76 HB1 RCY 76 79.797 7.593 9.165 573 HB2 RCY 76 HB2 RCY 76 79.867 6.559 10.592 574 HA RCY 76 HA RCY 76 80.791 5.561 7.899 575 HN1 RCY 76 HN1 RCY 76 81.886 4.632 10.481 576 H GLU 77 HN GLU 77 82.419 6.545 10.929 577 HA GLU 77 HA GLU 77 83.736 8.820 9.800 578 HB2 GLU 77 HB2 GLU 77 84.311 7.089 12.205 579 HB3 GLU 77 HB1 GLU 77 85.352 8.445 11.769 580 HG2 GLU 77 HG2 GLU 77 82.360 8.742 12.088 581 HG3 GLU 77 HG1 GLU 77 83.480 8.963 13.433 582 H LEU 78 HN LEU 78 86.151 6.904 11.158 583 HA LEU 78 HA LEU 78 87.516 6.722 8.555 584 HG LEU 78 HG LEU 78 88.391 8.543 9.846 585 HB2 LEU 78 HB2 LEU 78 88.326 6.417 11.428 586 HB3 LEU 78 HB1 LEU 78 89.353 5.722 10.174 587 HD11 LEU 78 HD11 LEU 78 90.532 9.234 11.057 588 HD12 LEU 78 HD12 LEU 78 90.578 7.597 11.712 589 HD13 LEU 78 HD13 LEU 78 89.220 8.659 12.086 590 HD21 LEU 78 HD21 LEU 78 90.955 7.068 9.160 591 HD22 LEU 78 HD22 LEU 78 90.591 8.737 8.721 592 HD23 LEU 78 HD23 LEU 78 89.638 7.419 8.040 593 H HIS 79 HN HIS 79 89.058 4.493 8.755 594 HA HIS 79 HA HIS 79 87.035 2.320 8.534 595 HD1 HIS 79 HD1 HIS 79 91.060 2.103 5.675 596 HD2 HIS 79 HD2 HIS 79 90.491 3.637 9.512 597 HE1 HIS 79 HE1 HIS 79 93.273 3.116 6.375 598 HE2 HIS 79 HE2 HIS 79 92.941 4.054 8.709 599 HB2 HIS 79 HB2 HIS 79 88.875 1.117 7.325 600 HB3 HIS 79 HB1 HIS 79 88.405 2.632 6.555 601 H GLU 80 HN GLU 80 86.954 2.088 10.913 602 HA GLU 80 HA GLU 80 89.310 0.551 11.948 603 HB2 GLU 80 HB2 GLU 80 88.077 2.910 13.012 604 HB3 GLU 80 HB1 GLU 80 87.725 1.579 14.112 605 HG2 GLU 80 HG2 GLU 80 89.848 2.631 14.735 606 HG3 GLU 80 HG1 GLU 80 90.142 0.995 14.144 607 H LEU 81 HN LEU 81 85.787 0.926 11.925 608 HA LEU 81 HA LEU 81 85.437 -1.671 13.287 609 HG LEU 81 HG LEU 81 82.973 0.987 14.288 610 HB2 LEU 81 HB2 LEU 81 83.245 -0.052 11.972 611 HB3 LEU 81 HB1 LEU 81 83.110 -1.195 13.303 612 HD11 LEU 81 HD11 LEU 81 85.871 0.160 14.589 613 HD12 LEU 81 HD12 LEU 81 84.539 -0.704 15.356 614 HD13 LEU 81 HD13 LEU 81 84.859 0.978 15.779 615 HD21 LEU 81 HD21 LEU 81 84.062 2.823 13.496 616 HD22 LEU 81 HD22 LEU 81 84.387 1.820 12.083 617 HD23 LEU 81 HD23 LEU 81 85.596 1.964 13.358 618 H ALA 82 HN ALA 82 86.629 -1.103 10.469 619 HA ALA 82 HA ALA 82 84.862 -2.301 8.549 620 HB1 ALA 82 HB1 ALA 82 86.637 -1.080 7.614 621 HB2 ALA 82 HB2 ALA 82 87.132 -2.752 7.347 622 HB3 ALA 82 HB3 ALA 82 87.834 -1.826 8.674 623 H GLN 83 HN GLN 83 84.424 -4.000 10.551 624 HA GLN 83 HA GLN 83 86.073 -6.179 11.078 625 HB2 GLN 83 HB2 GLN 83 83.090 -5.975 10.666 626 HB3 GLN 83 HB1 GLN 83 83.835 -7.542 10.977 627 HG2 GLN 83 HG2 GLN 83 84.301 -5.125 12.739 628 HG3 GLN 83 HG1 GLN 83 83.024 -6.303 13.045 629 HE21 GLN 83 HE21 GLN 83 85.964 -5.592 14.198 630 HE22 GLN 83 HE22 GLN 83 86.581 -7.145 14.500 631 H TYR 84 HN TYR 84 83.453 -6.914 8.850 632 HA TYR 84 HA TYR 84 85.214 -8.608 7.265 633 HD1 TYR 84 HD2 TYR 84 83.771 -9.770 9.111 634 HD2 TYR 84 HD1 TYR 84 80.584 -7.573 7.250 635 HE1 TYR 84 HE2 TYR 84 82.386 -10.053 11.149 636 HE2 TYR 84 HE1 TYR 84 79.198 -7.856 9.288 637 HH TYR 84 HH TYR 84 79.443 -8.317 11.626 638 HB2 TYR 84 HB2 TYR 84 82.594 -7.839 6.106 639 HB3 TYR 84 HB1 TYR 84 83.283 -9.444 6.353 640 H GLY 85 HN GLY 85 83.525 -5.514 6.769 641 HA2 GLY 85 HA2 GLY 85 84.194 -4.944 4.136 642 HA3 GLY 85 HA1 GLY 85 84.143 -3.706 5.394 643 H ILE 86 HN ILE 86 86.058 -4.114 3.102 644 HA ILE 86 HA ILE 86 88.479 -3.568 4.643 645 HB ILE 86 HB ILE 86 88.527 -6.014 4.661 646 HG12 ILE 86 HG12 ILE 86 90.706 -6.349 3.605 647 HG13 ILE 86 HG11 ILE 86 90.466 -4.920 2.598 648 HG21 ILE 86 HG21 ILE 86 88.337 -7.341 2.714 649 HG22 ILE 86 HG22 ILE 86 88.621 -5.967 1.646 650 HG23 ILE 86 HG23 ILE 86 87.090 -6.111 2.509 651 HD11 ILE 86 HD11 ILE 86 90.283 -4.661 5.583 652 HD12 ILE 86 HD12 ILE 86 90.735 -3.448 4.386 653 HD13 ILE 86 HD13 ILE 86 91.870 -4.727 4.817 654 H1U RCY 87 H1U RCY 87 80.660 -3.907 -0.573 655 H1S RCY 87 H1S RCY 87 84.395 -4.675 0.850 656 HB1 RCY 87 HB1 RCY 87 87.698 -3.335 -1.869 657 HB2 RCY 87 HB2 RCY 87 86.502 -2.313 -1.075 658 HA RCY 87 HA RCY 87 89.171 -3.134 -0.154 659 HN1 RCY 87 HN1 RCY 87 87.087 -4.199 1.411 Start of MODEL 85 1 HA MET 1 HA MET 1 49.715 -2.590 4.698 2 HB2 MET 1 HB2 MET 1 51.346 -2.256 2.697 3 HB3 MET 1 HB1 MET 1 51.095 -3.976 2.400 4 HG2 MET 1 HG2 MET 1 49.440 -2.899 1.085 5 HG3 MET 1 HG1 MET 1 48.575 -3.451 2.520 6 HE1 MET 1 HE1 MET 1 47.069 -1.899 1.146 7 HE2 MET 1 HE2 MET 1 46.784 -0.231 1.637 8 HE3 MET 1 HE3 MET 1 46.516 -1.539 2.786 9 H ASN 2 HN ASN 2 51.529 -5.543 3.773 10 HA ASN 2 HA ASN 2 50.821 -7.789 3.800 11 HB2 ASN 2 HB2 ASN 2 49.470 -7.114 6.407 12 HB3 ASN 2 HB1 ASN 2 50.363 -8.571 5.967 13 HD21 ASN 2 HD21 ASN 2 52.469 -6.677 4.667 14 HD22 ASN 2 HD22 ASN 2 53.394 -6.154 5.991 15 H LEU 3 HN LEU 3 48.952 -5.850 2.562 16 HA LEU 3 HA LEU 3 46.464 -7.482 2.870 17 HG LEU 3 HG LEU 3 44.384 -6.576 2.665 18 HB2 LEU 3 HB2 LEU 3 46.229 -5.279 4.053 19 HB3 LEU 3 HB1 LEU 3 46.511 -4.467 2.515 20 HD11 LEU 3 HD11 LEU 3 43.826 -5.214 4.575 21 HD12 LEU 3 HD12 LEU 3 42.765 -4.721 3.255 22 HD13 LEU 3 HD13 LEU 3 44.160 -3.730 3.681 23 HD21 LEU 3 HD21 LEU 3 43.714 -4.178 1.235 24 HD22 LEU 3 HD22 LEU 3 44.000 -5.793 0.588 25 HD23 LEU 3 HD23 LEU 3 45.346 -4.669 0.778 26 H GLU 4 HN GLU 4 48.661 -5.685 0.854 27 HA GLU 4 HA GLU 4 46.982 -6.100 -1.543 28 HB2 GLU 4 HB2 GLU 4 48.592 -4.052 -0.924 29 HB3 GLU 4 HB1 GLU 4 49.785 -5.071 -1.727 30 HG2 GLU 4 HG2 GLU 4 48.877 -3.750 -3.472 31 HG3 GLU 4 HG1 GLU 4 48.046 -5.299 -3.621 32 HA PRO 5 HA PRO 5 48.746 -10.251 -1.993 33 HB2 PRO 5 HB2 PRO 5 48.041 -9.578 -4.832 34 HB3 PRO 5 HB1 PRO 5 47.752 -11.078 -3.926 35 HG2 PRO 5 HG2 PRO 5 45.809 -9.301 -4.334 36 HG3 PRO 5 HG1 PRO 5 45.932 -10.208 -2.817 37 HD2 PRO 5 HD2 PRO 5 46.483 -7.333 -3.327 38 HD3 PRO 5 HD1 PRO 5 46.030 -8.144 -1.812 39 HA PRO 6 HA PRO 6 52.665 -8.479 -3.554 40 HB2 PRO 6 HB2 PRO 6 54.335 -9.893 -1.958 41 HB3 PRO 6 HB1 PRO 6 53.426 -8.489 -1.365 42 HG2 PRO 6 HG2 PRO 6 52.907 -11.382 -0.954 43 HG3 PRO 6 HG1 PRO 6 52.657 -10.020 0.148 44 HD2 PRO 6 HD2 PRO 6 50.654 -11.255 -1.369 45 HD3 PRO 6 HD1 PRO 6 50.532 -9.648 -0.622 46 H LYS 7 HN LYS 7 54.484 -9.426 -4.753 47 HA LYS 7 HA LYS 7 53.749 -11.608 -6.434 48 HB2 LYS 7 HB2 LYS 7 56.525 -10.522 -5.866 49 HB3 LYS 7 HB1 LYS 7 56.061 -11.498 -7.261 50 HG2 LYS 7 HG2 LYS 7 54.343 -9.692 -7.794 51 HG3 LYS 7 HG1 LYS 7 55.143 -8.697 -6.577 52 HD2 LYS 7 HD2 LYS 7 56.511 -9.927 -8.989 53 HD3 LYS 7 HD1 LYS 7 56.012 -8.240 -8.859 54 HE2 LYS 7 HE2 LYS 7 58.257 -8.135 -8.203 55 HE3 LYS 7 HE1 LYS 7 57.425 -8.264 -6.653 56 HZ1 LYS 7 HZ1 LYS 7 57.791 -10.850 -7.520 57 HZ2 LYS 7 HZ2 LYS 7 58.639 -10.061 -6.277 58 HZ3 LYS 7 HZ3 LYS 7 59.257 -10.066 -7.859 59 H ALA 8 HN ALA 8 56.908 -12.214 -5.373 60 HA ALA 8 HA ALA 8 56.105 -14.242 -3.372 61 HB1 ALA 8 HB1 ALA 8 57.425 -14.905 -6.018 62 HB2 ALA 8 HB2 ALA 8 55.887 -15.517 -5.410 63 HB3 ALA 8 HB3 ALA 8 57.398 -16.008 -4.643 64 H GLU 9 HN GLU 9 57.530 -13.926 -1.739 65 HA GLU 9 HA GLU 9 60.206 -12.797 -2.346 66 HB2 GLU 9 HB2 GLU 9 58.807 -13.304 0.299 67 HB3 GLU 9 HB1 GLU 9 60.366 -12.500 0.108 68 HG2 GLU 9 HG2 GLU 9 57.794 -11.542 -1.180 69 HG3 GLU 9 HG1 GLU 9 58.444 -10.900 0.329 70 H1U RCY 10 H1U RCY 10 58.379 -11.450 3.110 71 H1S RCY 10 H1S RCY 10 60.988 -14.337 1.848 72 HB1 RCY 10 HB1 RCY 10 63.385 -16.551 0.182 73 HB2 RCY 10 HB2 RCY 10 62.652 -16.348 1.772 74 HA RCY 10 HA RCY 10 61.370 -16.956 -0.753 75 HN1 RCY 10 HN1 RCY 10 60.150 -14.553 0.539 76 H ARG 11 HN ARG 11 61.937 -18.412 1.504 77 HA ARG 11 HA ARG 11 59.279 -18.629 2.875 78 HE ARG 11 HE ARG 11 62.377 -22.097 -0.418 79 HB2 ARG 11 HB2 ARG 11 61.096 -20.999 2.515 80 HB3 ARG 11 HB1 ARG 11 59.343 -20.953 2.696 81 HG2 ARG 11 HG2 ARG 11 59.642 -21.437 0.409 82 HG3 ARG 11 HG1 ARG 11 59.350 -19.697 0.426 83 HD2 ARG 11 HD2 ARG 11 61.340 -19.364 -0.565 84 HD3 ARG 11 HD1 ARG 11 62.142 -20.095 0.826 85 HH11 ARG 11 HH21 ARG 11 60.176 -19.876 -1.870 86 HH12 ARG 11 HH22 ARG 11 60.029 -20.778 -3.342 87 HH21 ARG 11 HH11 ARG 11 62.198 -23.288 -2.331 88 HH22 ARG 11 HH12 ARG 11 61.173 -22.709 -3.603 89 H SER 12 HN SER 12 60.731 -17.018 4.255 90 HA SER 12 HA SER 12 61.811 -18.648 6.486 91 HG SER 12 HG SER 12 64.071 -16.622 7.363 92 HB2 SER 12 HB2 SER 12 63.715 -17.940 4.949 93 HB3 SER 12 HB1 SER 12 63.340 -16.276 5.389 94 H ALA 13 HN ALA 13 62.776 -16.437 7.981 95 HA ALA 13 HA ALA 13 60.507 -15.525 9.320 96 HB1 ALA 13 HB1 ALA 13 62.630 -15.150 10.342 97 HB2 ALA 13 HB2 ALA 13 61.982 -13.544 10.006 98 HB3 ALA 13 HB3 ALA 13 63.217 -14.234 8.954 99 H THR 14 HN THR 14 59.781 -13.124 9.396 100 HA THR 14 HA THR 14 59.790 -11.846 6.715 101 HB THR 14 HB THR 14 57.188 -12.270 8.193 102 HG1 THR 14 HG1 THR 14 57.048 -14.194 7.383 103 HG21 THR 14 HG21 THR 14 57.923 -11.591 5.331 104 HG22 THR 14 HG22 THR 14 57.216 -10.497 6.520 105 HG23 THR 14 HG23 THR 14 56.277 -11.858 5.906 106 H ARG 15 HN ARG 15 60.018 -11.633 10.037 107 HA ARG 15 HA ARG 15 58.868 -8.943 10.314 108 HE ARG 15 HE ARG 15 57.348 -6.442 13.123 109 HB2 ARG 15 HB2 ARG 15 58.908 -10.676 12.170 110 HB3 ARG 15 HB1 ARG 15 60.650 -10.424 12.266 111 HG2 ARG 15 HG2 ARG 15 59.946 -8.883 13.846 112 HG3 ARG 15 HG1 ARG 15 59.922 -7.867 12.404 113 HD2 ARG 15 HD2 ARG 15 57.488 -8.558 12.108 114 HD3 ARG 15 HD1 ARG 15 57.580 -9.256 13.725 115 HH11 ARG 15 HH21 ARG 15 58.796 -8.769 15.215 116 HH12 ARG 15 HH22 ARG 15 58.908 -7.686 16.561 117 HH21 ARG 15 HH11 ARG 15 57.486 -5.014 14.870 118 HH22 ARG 15 HH12 ARG 15 58.167 -5.560 16.366 119 H VAL 16 HN VAL 16 60.087 -7.616 8.910 120 HA VAL 16 HA VAL 16 62.557 -6.600 9.957 121 HB VAL 16 HB VAL 16 62.884 -8.936 8.435 122 HG11 VAL 16 HG11 VAL 16 62.344 -7.545 6.419 123 HG12 VAL 16 HG12 VAL 16 63.973 -8.219 6.381 124 HG13 VAL 16 HG13 VAL 16 63.730 -6.524 6.802 125 HG21 VAL 16 HG21 VAL 16 65.305 -8.271 8.503 126 HG22 VAL 16 HG22 VAL 16 64.492 -8.095 10.058 127 HG23 VAL 16 HG23 VAL 16 64.807 -6.674 9.062 128 H MET 17 HN MET 17 60.140 -6.803 7.478 129 HA MET 17 HA MET 17 60.976 -4.131 6.416 130 HB2 MET 17 HB2 MET 17 59.481 -6.456 5.222 131 HB3 MET 17 HB1 MET 17 59.230 -4.833 4.581 132 HG2 MET 17 HG2 MET 17 62.047 -5.738 4.999 133 HG3 MET 17 HG1 MET 17 61.161 -6.417 3.633 134 HE1 MET 17 HE1 MET 17 59.840 -5.298 2.169 135 HE2 MET 17 HE2 MET 17 60.412 -3.909 1.247 136 HE3 MET 17 HE3 MET 17 59.271 -3.672 2.568 137 H GLY 18 HN GLY 18 59.583 -4.417 8.929 138 HA2 GLY 18 HA2 GLY 18 56.753 -3.848 8.427 139 HA3 GLY 18 HA1 GLY 18 57.554 -3.811 9.999 140 H GLY 19 HN GLY 19 55.800 -1.772 9.348 141 HA2 GLY 19 HA2 GLY 19 55.825 0.582 9.634 142 HA3 GLY 19 HA1 GLY 19 57.583 0.549 9.485 143 HA PRO 20 HA PRO 20 54.886 1.146 5.268 144 HB2 PRO 20 HB2 PRO 20 54.935 4.001 6.199 145 HB3 PRO 20 HB1 PRO 20 53.741 3.170 5.182 146 HG2 PRO 20 HG2 PRO 20 53.286 3.655 7.766 147 HG3 PRO 20 HG1 PRO 20 52.708 2.177 6.979 148 HD2 PRO 20 HD2 PRO 20 54.898 2.508 8.956 149 HD3 PRO 20 HD1 PRO 20 53.928 1.068 8.577 150 H1U RCY 21 H1U RCY 21 61.208 1.044 -1.635 151 H1S RCY 21 H1S RCY 21 60.049 2.104 2.230 152 HB1 RCY 21 HB1 RCY 21 59.495 -0.068 3.490 153 HB2 RCY 21 HB2 RCY 21 59.596 0.361 5.197 154 HA RCY 21 HA RCY 21 59.032 2.767 4.412 155 HN1 RCY 21 HN1 RCY 21 57.051 0.549 4.546 156 H THR 22 HN THR 22 58.237 4.026 2.695 157 HA THR 22 HA THR 22 57.805 2.647 0.084 158 HB THR 22 HB THR 22 55.975 4.055 0.384 159 HG1 THR 22 HG1 THR 22 56.348 5.861 -0.919 160 HG21 THR 22 HG21 THR 22 56.563 5.031 2.491 161 HG22 THR 22 HG22 THR 22 56.253 6.373 1.390 162 HG23 THR 22 HG23 THR 22 57.912 5.915 1.777 163 HA PRO 23 HA PRO 23 61.645 3.757 -1.791 164 HB2 PRO 23 HB2 PRO 23 59.961 5.457 -3.611 165 HB3 PRO 23 HB1 PRO 23 61.272 4.333 -4.020 166 HG2 PRO 23 HG2 PRO 23 58.683 3.676 -4.284 167 HG3 PRO 23 HG1 PRO 23 59.926 2.492 -3.854 168 HD2 PRO 23 HD2 PRO 23 57.751 3.571 -2.188 169 HD3 PRO 23 HD1 PRO 23 58.756 2.130 -1.926 170 H ARG 24 HN ARG 24 63.144 5.358 -1.325 171 HA ARG 24 HA ARG 24 62.561 7.528 0.344 172 HE ARG 24 HE ARG 24 64.431 11.699 0.103 173 HB2 ARG 24 HB2 ARG 24 64.857 6.530 -0.350 174 HB3 ARG 24 HB1 ARG 24 64.788 7.666 -1.694 175 HG2 ARG 24 HG2 ARG 24 64.143 8.838 0.942 176 HG3 ARG 24 HG1 ARG 24 65.807 8.279 0.772 177 HD2 ARG 24 HD2 ARG 24 66.266 9.753 -0.979 178 HD3 ARG 24 HD1 ARG 24 64.566 9.914 -1.421 179 HH11 ARG 24 HH21 ARG 24 67.053 9.586 0.841 180 HH12 ARG 24 HH22 ARG 24 67.646 10.561 2.144 181 HH21 ARG 24 HH11 ARG 24 65.190 12.985 1.799 182 HH22 ARG 24 HH12 ARG 24 66.592 12.485 2.687 183 H LYS 25 HN LYS 25 61.829 7.188 -2.968 184 HA LYS 25 HA LYS 25 61.075 8.716 -4.592 185 HB2 LYS 25 HB2 LYS 25 60.005 9.804 -1.986 186 HB3 LYS 25 HB1 LYS 25 59.625 10.571 -3.526 187 HG2 LYS 25 HG2 LYS 25 59.170 7.626 -2.982 188 HG3 LYS 25 HG1 LYS 25 57.926 8.856 -2.759 189 HD2 LYS 25 HD2 LYS 25 58.661 9.522 -5.236 190 HD3 LYS 25 HD1 LYS 25 59.143 7.826 -5.285 191 HE2 LYS 25 HE2 LYS 25 56.888 7.828 -6.025 192 HE3 LYS 25 HE1 LYS 25 56.804 7.313 -4.341 193 HZ1 LYS 25 HZ1 LYS 25 56.384 9.666 -3.751 194 HZ2 LYS 25 HZ2 LYS 25 55.159 8.978 -4.705 195 HZ3 LYS 25 HZ3 LYS 25 56.290 10.036 -5.403 196 H GLY 26 HN GLY 26 63.636 9.180 -4.484 197 HA2 GLY 26 HA2 GLY 26 63.849 12.125 -4.577 198 HA3 GLY 26 HA1 GLY 26 64.949 11.302 -3.469 199 HA PRO 27 HA PRO 27 67.836 11.345 -6.906 200 HB2 PRO 27 HB2 PRO 27 68.805 8.917 -5.432 201 HB3 PRO 27 HB1 PRO 27 69.733 10.285 -6.080 202 HG2 PRO 27 HG2 PRO 27 69.174 10.074 -3.478 203 HG3 PRO 27 HG1 PRO 27 69.230 11.642 -4.298 204 HD2 PRO 27 HD2 PRO 27 66.874 10.144 -3.286 205 HD3 PRO 27 HD1 PRO 27 67.065 11.888 -3.571 206 HA PRO 28 HA PRO 28 66.364 8.550 -10.010 207 HB2 PRO 28 HB2 PRO 28 69.188 7.550 -10.173 208 HB3 PRO 28 HB1 PRO 28 68.096 8.053 -11.478 209 HG2 PRO 28 HG2 PRO 28 70.058 9.635 -10.573 210 HG3 PRO 28 HG1 PRO 28 68.515 10.278 -11.155 211 HD2 PRO 28 HD2 PRO 28 69.562 10.171 -8.392 212 HD3 PRO 28 HD1 PRO 28 68.289 11.205 -9.075 213 H LYS 29 HN LYS 29 65.503 6.473 -9.987 214 HA LYS 29 HA LYS 29 65.627 4.852 -7.685 215 HB2 LYS 29 HB2 LYS 29 65.156 3.688 -10.432 216 HB3 LYS 29 HB1 LYS 29 64.411 3.229 -8.901 217 HG2 LYS 29 HG2 LYS 29 62.682 4.539 -9.592 218 HG3 LYS 29 HG1 LYS 29 63.708 5.877 -9.075 219 HD2 LYS 29 HD2 LYS 29 64.707 5.876 -11.406 220 HD3 LYS 29 HD1 LYS 29 63.438 4.743 -11.869 221 HE2 LYS 29 HE2 LYS 29 61.774 6.453 -10.940 222 HE3 LYS 29 HE1 LYS 29 63.123 7.589 -10.899 223 HZ1 LYS 29 HZ1 LYS 29 62.194 7.943 -12.969 224 HZ2 LYS 29 HZ2 LYS 29 61.860 6.298 -13.229 225 HZ3 LYS 29 HZ3 LYS 29 63.458 6.869 -13.324 226 H1U RCY 30 H1U RCY 30 71.546 3.160 -6.331 227 H1S RCY 30 H1S RCY 30 67.089 2.336 -7.887 228 HB1 RCY 30 HB1 RCY 30 69.518 1.074 -10.489 229 HB2 RCY 30 HB2 RCY 30 68.482 1.744 -11.748 230 HA RCY 30 HA RCY 30 69.565 3.098 -9.282 231 HN1 RCY 30 HN1 RCY 30 67.370 4.407 -10.781 232 H LYS 31 HN LYS 31 71.175 4.482 -9.893 233 HA LYS 31 HA LYS 31 71.257 5.590 -12.617 234 HB2 LYS 31 HB2 LYS 31 73.576 6.432 -11.570 235 HB3 LYS 31 HB1 LYS 31 72.045 7.202 -11.153 236 HG2 LYS 31 HG2 LYS 31 71.865 5.920 -9.121 237 HG3 LYS 31 HG1 LYS 31 73.238 4.909 -9.575 238 HD2 LYS 31 HD2 LYS 31 73.885 6.646 -7.926 239 HD3 LYS 31 HD1 LYS 31 74.735 6.850 -9.458 240 HE2 LYS 31 HE2 LYS 31 72.129 8.276 -9.037 241 HE3 LYS 31 HE1 LYS 31 73.594 8.928 -8.302 242 HZ1 LYS 31 HZ1 LYS 31 74.032 9.827 -10.266 243 HZ2 LYS 31 HZ2 LYS 31 72.770 8.979 -11.023 244 HZ3 LYS 31 HZ3 LYS 31 74.304 8.265 -10.869 245 H GLN 32 HN GLN 32 72.347 4.641 -14.271 246 HA GLN 32 HA GLN 32 74.371 2.532 -13.598 247 HB2 GLN 32 HB2 GLN 32 72.195 1.813 -14.753 248 HB3 GLN 32 HB1 GLN 32 72.781 2.693 -16.165 249 HG2 GLN 32 HG2 GLN 32 74.955 1.318 -15.871 250 HG3 GLN 32 HG1 GLN 32 73.989 0.271 -14.831 251 HE21 GLN 32 HE21 GLN 32 73.226 1.960 -17.934 252 HE22 GLN 32 HE22 GLN 32 72.701 0.558 -18.734 253 H ARG 33 HN ARG 33 75.408 5.020 -13.650 254 HA ARG 33 HA ARG 33 77.365 4.931 -15.693 255 HE ARG 33 HE ARG 33 74.331 4.363 -18.334 256 HB2 ARG 33 HB2 ARG 33 74.852 6.060 -16.552 257 HB3 ARG 33 HB1 ARG 33 76.070 7.331 -16.548 258 HG2 ARG 33 HG2 ARG 33 77.469 6.159 -18.051 259 HG3 ARG 33 HG1 ARG 33 76.642 4.628 -17.762 260 HD2 ARG 33 HD2 ARG 33 75.078 6.929 -18.880 261 HD3 ARG 33 HD1 ARG 33 76.136 6.015 -19.954 262 HH11 ARG 33 HH21 ARG 33 74.910 6.110 -21.249 263 HH12 ARG 33 HH22 ARG 33 73.756 5.209 -22.175 264 HH21 ARG 33 HH11 ARG 33 72.821 3.176 -19.526 265 HH22 ARG 33 HH12 ARG 33 72.574 3.548 -21.199 266 H GLN 34 HN GLN 34 77.360 5.381 -12.938 267 HA GLN 34 HA GLN 34 78.706 8.009 -12.844 268 HB2 GLN 34 HB2 GLN 34 76.422 8.590 -12.203 269 HB3 GLN 34 HB1 GLN 34 76.390 7.278 -11.025 270 HG2 GLN 34 HG2 GLN 34 78.063 8.334 -9.671 271 HG3 GLN 34 HG1 GLN 34 78.418 9.522 -10.926 272 HE21 GLN 34 HE21 GLN 34 76.164 8.676 -8.353 273 HE22 GLN 34 HE22 GLN 34 75.251 10.104 -8.431 274 H THR 35 HN THR 35 80.646 7.519 -11.951 275 HA THR 35 HA THR 35 82.265 6.357 -10.697 276 HB THR 35 HB THR 35 81.488 6.004 -8.262 277 HG1 THR 35 HG1 THR 35 79.525 7.116 -7.817 278 HG21 THR 35 HG21 THR 35 81.307 8.710 -9.612 279 HG22 THR 35 HG22 THR 35 82.743 7.974 -8.900 280 HG23 THR 35 HG23 THR 35 81.409 8.484 -7.866 281 H ARG 36 HN ARG 36 81.995 4.452 -12.131 282 HA ARG 36 HA ARG 36 80.805 2.139 -10.644 283 HE ARG 36 HE ARG 36 76.533 1.061 -11.944 284 HB2 ARG 36 HB2 ARG 36 79.616 2.990 -12.832 285 HB3 ARG 36 HB1 ARG 36 80.956 2.192 -13.651 286 HG2 ARG 36 HG2 ARG 36 79.201 0.565 -13.478 287 HG3 ARG 36 HG1 ARG 36 80.414 0.121 -12.276 288 HD2 ARG 36 HD2 ARG 36 78.934 0.379 -10.600 289 HD3 ARG 36 HD1 ARG 36 78.529 2.005 -11.149 290 HH11 ARG 36 HH21 ARG 36 79.140 -1.190 -12.089 291 HH12 ARG 36 HH22 ARG 36 78.183 -2.457 -12.781 292 HH21 ARG 36 HH11 ARG 36 75.268 -0.580 -12.846 293 HH22 ARG 36 HH12 ARG 36 75.990 -2.112 -13.210 294 H GLN 37 HN GLN 37 83.622 3.473 -11.310 295 HA GLN 37 HA GLN 37 85.019 1.234 -12.580 296 HB2 GLN 37 HB2 GLN 37 86.077 3.702 -11.167 297 HB3 GLN 37 HB1 GLN 37 87.057 2.561 -12.088 298 HG2 GLN 37 HG2 GLN 37 85.735 3.050 -14.113 299 HG3 GLN 37 HG1 GLN 37 84.751 4.191 -13.196 300 HE21 GLN 37 HE21 GLN 37 85.562 6.309 -12.943 301 HE22 GLN 37 HE22 GLN 37 87.107 6.800 -13.448 302 H1U RCY 38 H1U RCY 38 85.484 3.010 -2.727 303 H1S RCY 38 H1S RCY 38 84.767 2.667 -6.723 304 HB1 RCY 38 HB1 RCY 38 85.394 0.015 -6.692 305 HB2 RCY 38 HB2 RCY 38 85.220 -0.676 -8.303 306 HA RCY 38 HA RCY 38 86.607 1.877 -7.488 307 HN1 RCY 38 HN1 RCY 38 86.139 2.771 -9.611 308 H LYS 39 HN LYS 39 87.431 -0.618 -6.722 309 HA LYS 39 HA LYS 39 89.559 -1.656 -6.681 310 HB2 LYS 39 HB2 LYS 39 89.626 -3.465 -8.222 311 HB3 LYS 39 HB1 LYS 39 87.923 -3.160 -7.907 312 HG2 LYS 39 HG2 LYS 39 88.951 -1.549 -10.129 313 HG3 LYS 39 HG1 LYS 39 89.101 -3.281 -10.427 314 HD2 LYS 39 HD2 LYS 39 86.675 -3.502 -9.706 315 HD3 LYS 39 HD1 LYS 39 86.586 -1.741 -9.746 316 HE2 LYS 39 HE2 LYS 39 85.853 -2.350 -11.895 317 HE3 LYS 39 HE1 LYS 39 87.557 -1.975 -12.151 318 HZ1 LYS 39 HZ1 LYS 39 87.953 -4.425 -11.725 319 HZ2 LYS 39 HZ2 LYS 39 87.213 -4.018 -13.199 320 HZ3 LYS 39 HZ3 LYS 39 86.281 -4.633 -11.918 321 H SER 40 HN SER 40 89.716 1.054 -7.747 322 HA SER 40 HA SER 40 92.232 0.708 -9.291 323 HG SER 40 HG SER 40 88.868 2.015 -10.471 324 HB2 SER 40 HB2 SER 40 91.485 2.623 -10.792 325 HB3 SER 40 HB1 SER 40 90.656 1.092 -11.057 326 H LYS 41 HN LYS 41 90.514 2.157 -6.799 327 HA LYS 41 HA LYS 41 92.170 4.616 -6.767 328 HB2 LYS 41 HB2 LYS 41 89.799 3.647 -5.176 329 HB3 LYS 41 HB1 LYS 41 90.774 5.002 -4.606 330 HG2 LYS 41 HG2 LYS 41 88.891 5.837 -5.933 331 HG3 LYS 41 HG1 LYS 41 90.406 6.152 -6.780 332 HD2 LYS 41 HD2 LYS 41 90.052 4.365 -8.303 333 HD3 LYS 41 HD1 LYS 41 88.781 3.659 -7.304 334 HE2 LYS 41 HE2 LYS 41 88.614 6.329 -8.735 335 HE3 LYS 41 HE1 LYS 41 87.822 4.839 -9.249 336 HZ1 LYS 41 HZ1 LYS 41 86.138 5.616 -8.017 337 HZ2 LYS 41 HZ2 LYS 41 87.126 6.663 -7.115 338 HZ3 LYS 41 HZ3 LYS 41 87.027 5.018 -6.702 339 HA PRO 42 HA PRO 42 95.044 2.668 -3.965 340 HB2 PRO 42 HB2 PRO 42 96.330 4.885 -3.041 341 HB3 PRO 42 HB1 PRO 42 96.555 4.271 -4.691 342 HG2 PRO 42 HG2 PRO 42 94.869 6.531 -3.736 343 HG3 PRO 42 HG1 PRO 42 95.881 6.410 -5.186 344 HD2 PRO 42 HD2 PRO 42 93.151 6.076 -5.220 345 HD3 PRO 42 HD1 PRO 42 94.244 5.317 -6.398 346 HA PRO 43 HA PRO 43 93.313 2.830 0.110 347 HB2 PRO 43 HB2 PRO 43 95.548 2.467 1.688 348 HB3 PRO 43 HB1 PRO 43 94.749 1.164 0.788 349 HG2 PRO 43 HG2 PRO 43 97.199 2.702 0.106 350 HG3 PRO 43 HG1 PRO 43 96.841 0.983 -0.127 351 HD2 PRO 43 HD2 PRO 43 96.717 2.796 -2.164 352 HD3 PRO 43 HD1 PRO 43 95.683 1.351 -2.103 353 H LYS 44 HN LYS 44 92.607 4.641 1.151 354 HA LYS 44 HA LYS 44 94.614 6.749 1.860 355 HB2 LYS 44 HB2 LYS 44 91.794 7.156 0.816 356 HB3 LYS 44 HB1 LYS 44 92.856 8.442 1.392 357 HG2 LYS 44 HG2 LYS 44 94.360 8.173 -0.403 358 HG3 LYS 44 HG1 LYS 44 93.756 6.561 -0.785 359 HD2 LYS 44 HD2 LYS 44 92.950 8.202 -2.436 360 HD3 LYS 44 HD1 LYS 44 91.604 7.541 -1.507 361 HE2 LYS 44 HE2 LYS 44 91.449 9.504 -0.153 362 HE3 LYS 44 HE1 LYS 44 92.996 10.114 -0.739 363 HZ1 LYS 44 HZ1 LYS 44 90.909 9.575 -2.713 364 HZ2 LYS 44 HZ2 LYS 44 92.104 10.782 -2.698 365 HZ3 LYS 44 HZ3 LYS 44 90.719 10.943 -1.728 366 H LYS 45 HN LYS 45 91.947 4.768 2.794 367 HA LYS 45 HA LYS 45 90.876 4.500 4.862 368 HB2 LYS 45 HB2 LYS 45 93.574 5.190 5.403 369 HB3 LYS 45 HB1 LYS 45 92.597 6.151 6.510 370 HG2 LYS 45 HG2 LYS 45 91.451 4.153 7.305 371 HG3 LYS 45 HG1 LYS 45 92.296 3.158 6.118 372 HD2 LYS 45 HD2 LYS 45 94.418 3.554 7.180 373 HD3 LYS 45 HD1 LYS 45 93.725 4.785 8.236 374 HE2 LYS 45 HE2 LYS 45 94.085 2.414 9.222 375 HE3 LYS 45 HE1 LYS 45 92.529 3.195 9.505 376 HZ1 LYS 45 HZ1 LYS 45 92.883 1.525 7.115 377 HZ2 LYS 45 HZ2 LYS 45 91.473 1.850 8.006 378 HZ3 LYS 45 HZ3 LYS 45 92.635 0.771 8.615 379 H GLY 46 HN GLY 46 88.975 5.646 4.732 380 HA2 GLY 46 HA2 GLY 46 88.729 8.455 4.429 381 HA3 GLY 46 HA1 GLY 46 87.466 7.410 5.078 382 H VAL 47 HN VAL 47 87.008 9.231 6.562 383 HA VAL 47 HA VAL 47 88.574 8.946 9.049 384 HB VAL 47 HB VAL 47 88.200 11.605 7.636 385 HG11 VAL 47 HG11 VAL 47 89.071 10.898 10.443 386 HG12 VAL 47 HG12 VAL 47 87.814 12.031 9.946 387 HG13 VAL 47 HG13 VAL 47 89.512 12.428 9.683 388 HG21 VAL 47 HG21 VAL 47 90.596 9.904 8.362 389 HG22 VAL 47 HG22 VAL 47 90.741 11.616 7.963 390 HG23 VAL 47 HG23 VAL 47 90.121 10.480 6.764 391 H GLN 48 HN GLN 48 85.690 9.544 7.348 392 HA GLN 48 HA GLN 48 84.193 9.619 9.889 393 HB2 GLN 48 HB2 GLN 48 84.754 12.032 8.863 394 HB3 GLN 48 HB1 GLN 48 83.353 11.654 7.861 395 HG2 GLN 48 HG2 GLN 48 82.438 12.740 9.759 396 HG3 GLN 48 HG1 GLN 48 82.174 11.023 10.069 397 HE21 GLN 48 HE21 GLN 48 82.142 11.790 12.430 398 HE22 GLN 48 HE22 GLN 48 83.630 11.942 13.232 399 H GLY 49 HN GLY 49 84.635 7.993 7.284 400 HA2 GLY 49 HA2 GLY 49 83.262 6.460 6.139 401 HA3 GLY 49 HA1 GLY 49 81.896 7.051 7.087 402 H1U RCY 50 H1U RCY 50 82.568 5.658 2.479 403 H1S RCY 50 H1S RCY 50 79.316 9.106 3.587 404 HB1 RCY 50 HB1 RCY 50 82.050 12.091 4.255 405 HB2 RCY 50 HB2 RCY 50 81.234 10.909 5.277 406 HA RCY 50 HA RCY 50 82.022 9.418 3.059 407 HN1 RCY 50 HN1 RCY 50 83.743 9.459 5.460 408 H GLY 51 HN GLY 51 83.531 9.637 1.478 409 HA2 GLY 51 HA2 GLY 51 86.137 10.735 1.862 410 HA3 GLY 51 HA1 GLY 51 85.383 10.455 0.291 411 H ASP 52 HN ASP 52 85.051 12.271 -0.889 412 HA ASP 52 HA ASP 52 83.936 14.683 0.251 413 HB2 ASP 52 HB2 ASP 52 86.362 14.776 1.008 414 HB3 ASP 52 HB1 ASP 52 86.803 14.907 -0.695 415 H ASP 53 HN ASP 53 84.677 12.665 -2.279 416 HA ASP 53 HA ASP 53 84.481 14.718 -4.397 417 HB2 ASP 53 HB2 ASP 53 84.711 11.695 -4.496 418 HB3 ASP 53 HB1 ASP 53 84.634 12.729 -5.923 419 H ILE 54 HN ILE 54 82.226 14.528 -2.644 420 HA ILE 54 HA ILE 54 80.080 12.935 -3.354 421 HB ILE 54 HB ILE 54 78.803 15.345 -3.129 422 HG12 ILE 54 HG12 ILE 54 80.156 16.682 -1.506 423 HG13 ILE 54 HG11 ILE 54 81.524 15.611 -1.810 424 HG21 ILE 54 HG21 ILE 54 78.938 14.883 -0.613 425 HG22 ILE 54 HG22 ILE 54 80.019 13.550 -1.021 426 HG23 ILE 54 HG23 ILE 54 78.359 13.553 -1.618 427 HD11 ILE 54 HD11 ILE 54 80.099 17.162 -3.987 428 HD12 ILE 54 HD12 ILE 54 81.608 16.260 -4.133 429 HD13 ILE 54 HD13 ILE 54 81.554 17.737 -3.172 430 HA PRO 55 HA PRO 55 79.835 14.303 -7.687 431 HB2 PRO 55 HB2 PRO 55 79.151 11.945 -8.775 432 HB3 PRO 55 HB1 PRO 55 80.805 12.248 -8.206 433 HG2 PRO 55 HG2 PRO 55 78.646 10.655 -6.946 434 HG3 PRO 55 HG1 PRO 55 80.397 10.395 -6.938 435 HD2 PRO 55 HD2 PRO 55 78.879 11.587 -4.867 436 HD3 PRO 55 HD1 PRO 55 80.650 11.591 -5.007 437 H GLY 56 HN GLY 56 77.411 12.015 -6.354 438 HA2 GLY 56 HA2 GLY 56 75.293 13.430 -7.880 439 HA3 GLY 56 HA1 GLY 56 75.113 11.868 -7.082 440 H MET 57 HN MET 57 75.477 12.059 -4.565 441 HA MET 57 HA MET 57 74.930 14.526 -3.237 442 HB2 MET 57 HB2 MET 57 72.740 14.779 -3.795 443 HB3 MET 57 HB1 MET 57 72.629 13.138 -4.421 444 HG2 MET 57 HG2 MET 57 72.738 13.665 -1.449 445 HG3 MET 57 HG1 MET 57 71.210 13.717 -2.328 446 HE1 MET 57 HE1 MET 57 71.168 11.682 -0.073 447 HE2 MET 57 HE2 MET 57 70.447 10.355 -0.980 448 HE3 MET 57 HE3 MET 57 69.971 12.014 -1.331 449 H GLU 58 HN GLU 58 74.666 11.007 -3.266 450 HA GLU 58 HA GLU 58 74.413 10.690 -0.413 451 HB2 GLU 58 HB2 GLU 58 75.295 8.884 -2.662 452 HB3 GLU 58 HB1 GLU 58 75.446 8.359 -0.988 453 HG2 GLU 58 HG2 GLU 58 73.301 7.625 -1.300 454 HG3 GLU 58 HG1 GLU 58 72.895 9.309 -0.967 455 H GLY 59 HN GLY 59 77.270 10.167 -2.517 456 HA2 GLY 59 HA2 GLY 59 79.341 11.461 -1.734 457 HA3 GLY 59 HA1 GLY 59 78.975 10.798 -0.140 458 H1U RCY 60 H1U RCY 60 76.271 6.754 -0.703 459 H1S RCY 60 H1S RCY 60 79.069 9.802 -3.121 460 HB1 RCY 60 HB1 RCY 60 80.091 6.812 -3.481 461 HB2 RCY 60 HB2 RCY 60 81.521 7.005 -4.492 462 HA RCY 60 HA RCY 60 81.582 7.608 -1.897 463 HN1 RCY 60 HN1 RCY 60 80.927 10.342 -2.748 464 H GLY 61 HN GLY 61 83.773 7.434 -1.956 465 HA2 GLY 61 HA2 GLY 61 85.350 8.589 -4.117 466 HA3 GLY 61 HA1 GLY 61 85.554 9.450 -2.590 467 H THR 62 HN THR 62 85.409 7.315 -0.784 468 HA THR 62 HA THR 62 87.032 5.068 -1.478 469 HB THR 62 HB THR 62 88.917 6.457 -1.772 470 HG1 THR 62 HG1 THR 62 89.899 5.207 -0.419 471 HG21 THR 62 HG21 THR 62 87.804 8.015 0.566 472 HG22 THR 62 HG22 THR 62 88.075 8.576 -1.084 473 HG23 THR 62 HG23 THR 62 89.448 8.252 -0.025 474 H ASP 63 HN ASP 63 84.897 6.482 0.415 475 HA ASP 63 HA ASP 63 85.760 5.791 3.084 476 HB2 ASP 63 HB2 ASP 63 83.239 5.934 3.557 477 HB3 ASP 63 HB1 ASP 63 84.005 7.392 2.924 478 H ILE 64 HN ILE 64 86.009 3.647 1.020 479 HA ILE 64 HA ILE 64 84.953 1.481 2.648 480 HB ILE 64 HB ILE 64 82.921 1.883 1.438 481 HG12 ILE 64 HG12 ILE 64 84.051 -0.221 -0.344 482 HG13 ILE 64 HG11 ILE 64 84.163 -0.508 1.393 483 HG21 ILE 64 HG21 ILE 64 83.015 1.875 -1.123 484 HG22 ILE 64 HG22 ILE 64 84.756 2.104 -0.956 485 HG23 ILE 64 HG23 ILE 64 83.643 3.318 -0.326 486 HD11 ILE 64 HD11 ILE 64 82.026 -1.322 0.164 487 HD12 ILE 64 HD12 ILE 64 81.570 0.381 0.139 488 HD13 ILE 64 HD13 ILE 64 81.824 -0.441 1.678 489 H THR 65 HN THR 65 87.555 2.211 1.932 490 HA THR 65 HA THR 65 88.471 0.648 -0.343 491 HB THR 65 HB THR 65 89.761 2.586 0.568 492 HG1 THR 65 HG1 THR 65 90.856 0.005 0.452 493 HG21 THR 65 HG21 THR 65 89.165 1.902 2.988 494 HG22 THR 65 HG22 THR 65 90.789 2.523 2.693 495 HG23 THR 65 HG23 THR 65 90.527 0.788 2.865 496 H VAL 66 HN VAL 66 88.357 0.235 3.164 497 HA VAL 66 HA VAL 66 88.185 -2.675 2.865 498 HB VAL 66 HB VAL 66 90.502 -1.396 4.361 499 HG11 VAL 66 HG11 VAL 66 91.151 -3.848 4.654 500 HG12 VAL 66 HG12 VAL 66 89.511 -4.246 4.140 501 HG13 VAL 66 HG13 VAL 66 89.771 -3.303 5.608 502 HG21 VAL 66 HG21 VAL 66 91.012 -1.431 2.018 503 HG22 VAL 66 HG22 VAL 66 90.319 -3.041 1.826 504 HG23 VAL 66 HG23 VAL 66 91.826 -2.831 2.717 505 H ILE 67 HN ILE 67 87.708 0.265 4.489 506 HA ILE 67 HA ILE 67 86.275 -1.159 6.684 507 HB ILE 67 HB ILE 67 87.921 1.344 7.121 508 HG12 ILE 67 HG12 ILE 67 88.607 -1.556 7.702 509 HG13 ILE 67 HG11 ILE 67 89.424 -0.508 6.542 510 HG21 ILE 67 HG21 ILE 67 85.936 0.753 8.627 511 HG22 ILE 67 HG22 ILE 67 87.488 0.964 9.438 512 HG23 ILE 67 HG23 ILE 67 86.868 -0.658 9.130 513 HD11 ILE 67 HD11 ILE 67 89.891 1.062 8.510 514 HD12 ILE 67 HD12 ILE 67 90.782 -0.460 8.501 515 HD13 ILE 67 HD13 ILE 67 89.382 -0.264 9.555 516 H1U RCY 68 H1U RCY 68 76.017 2.435 2.771 517 H1S RCY 68 H1S RCY 68 80.363 1.718 1.964 518 HB1 RCY 68 HB1 RCY 68 81.822 -0.013 4.690 519 HB2 RCY 68 HB2 RCY 68 83.230 0.483 3.755 520 HA RCY 68 HA RCY 68 83.567 2.235 5.672 521 HN1 RCY 68 HN1 RCY 68 84.194 -0.650 6.171 522 HA PRO 69 HA PRO 69 81.337 2.397 9.503 523 HB2 PRO 69 HB2 PRO 69 79.160 3.352 7.660 524 HB3 PRO 69 HB1 PRO 69 79.635 3.981 9.252 525 HG2 PRO 69 HG2 PRO 69 80.446 5.136 6.978 526 HG3 PRO 69 HG1 PRO 69 81.482 5.067 8.413 527 HD2 PRO 69 HD2 PRO 69 81.784 3.649 5.845 528 HD3 PRO 69 HD1 PRO 69 82.984 3.911 7.130 529 H TRP 70 HN TRP 70 80.128 0.620 6.745 530 HA TRP 70 HA TRP 70 77.804 -0.547 7.908 531 HD1 TRP 70 HD1 TRP 70 76.566 -2.692 7.603 532 HE1 TRP 70 HE1 TRP 70 76.438 -5.251 7.335 533 HE3 TRP 70 HE3 TRP 70 80.634 -3.469 4.616 534 HZ2 TRP 70 HZ2 TRP 70 77.873 -7.355 6.025 535 HZ3 TRP 70 HZ3 TRP 70 81.230 -5.754 3.874 536 HH2 TRP 70 HH2 TRP 70 79.859 -7.697 4.572 537 HB2 TRP 70 HB2 TRP 70 78.066 -0.935 5.599 538 HB3 TRP 70 HB1 TRP 70 79.743 -1.446 5.781 539 H GLU 71 HN GLU 71 81.217 -1.202 8.356 540 HA GLU 71 HA GLU 71 80.541 -3.541 10.091 541 HB2 GLU 71 HB2 GLU 71 83.184 -2.690 8.871 542 HB3 GLU 71 HB1 GLU 71 82.939 -4.119 9.876 543 HG2 GLU 71 HG2 GLU 71 81.630 -5.196 8.249 544 HG3 GLU 71 HG1 GLU 71 81.268 -3.688 7.408 545 H ALA 72 HN ALA 72 82.255 -0.440 9.997 546 HA ALA 72 HA ALA 72 83.260 -0.639 12.705 547 HB1 ALA 72 HB1 ALA 72 84.053 1.550 12.403 548 HB2 ALA 72 HB2 ALA 72 82.733 1.981 11.316 549 HB3 ALA 72 HB3 ALA 72 84.029 0.925 10.754 550 H1U RCY 73 H1U RCY 73 74.159 2.814 7.502 551 H1S RCY 73 H1S RCY 73 75.091 2.750 11.701 552 HB1 RCY 73 HB1 RCY 73 77.622 1.183 11.432 553 HB2 RCY 73 HB2 RCY 73 78.729 2.537 11.202 554 HA RCY 73 HA RCY 73 79.430 2.060 13.675 555 HN1 RCY 73 HN1 RCY 73 80.414 0.919 11.225 556 H ASN 74 HN ASN 74 78.858 -1.039 12.038 557 HA ASN 74 HA ASN 74 78.063 -3.063 12.923 558 HB2 ASN 74 HB2 ASN 74 79.344 -1.909 15.040 559 HB3 ASN 74 HB1 ASN 74 77.704 -2.011 15.678 560 HD21 ASN 74 HD21 ASN 74 77.395 -3.935 16.798 561 HD22 ASN 74 HD22 ASN 74 78.086 -5.430 16.386 562 H HIS 75 HN HIS 75 76.319 -0.920 11.934 563 HA HIS 75 HA HIS 75 73.896 -1.230 13.636 564 HD1 HIS 75 HD1 HIS 75 71.580 0.674 10.821 565 HD2 HIS 75 HD2 HIS 75 72.704 1.143 14.810 566 HE1 HIS 75 HE1 HIS 75 69.495 1.380 12.073 567 HE2 HIS 75 HE2 HIS 75 70.165 1.669 14.503 568 HB2 HIS 75 HB2 HIS 75 74.736 1.031 12.649 569 HB3 HIS 75 HB1 HIS 75 74.063 0.440 11.130 570 H1U RCY 76 H1U RCY 76 76.890 -4.340 4.973 571 H1S RCY 76 H1S RCY 76 74.830 -6.396 7.495 572 HB1 RCY 76 HB1 RCY 76 75.374 -4.613 9.194 573 HB2 RCY 76 HB2 RCY 76 74.640 -3.054 8.836 574 HA RCY 76 HA RCY 76 72.642 -3.911 10.264 575 HN1 RCY 76 HN1 RCY 76 75.150 -3.308 11.768 576 H GLU 77 HN GLU 77 73.422 -6.390 9.300 577 HA GLU 77 HA GLU 77 73.224 -8.026 11.688 578 HB2 GLU 77 HB2 GLU 77 73.768 -8.847 8.815 579 HB3 GLU 77 HB1 GLU 77 73.268 -9.924 10.120 580 HG2 GLU 77 HG2 GLU 77 71.641 -7.522 9.259 581 HG3 GLU 77 HG1 GLU 77 71.393 -9.137 8.594 582 H LEU 78 HN LEU 78 75.165 -9.876 9.880 583 HA LEU 78 HA LEU 78 77.335 -10.016 11.623 584 HG LEU 78 HG LEU 78 79.633 -10.208 9.656 585 HB2 LEU 78 HB2 LEU 78 76.953 -11.627 9.797 586 HB3 LEU 78 HB1 LEU 78 77.375 -10.394 8.611 587 HD11 LEU 78 HD11 LEU 78 78.421 -12.289 11.450 588 HD12 LEU 78 HD12 LEU 78 79.422 -10.901 11.873 589 HD13 LEU 78 HD13 LEU 78 80.156 -12.325 11.135 590 HD21 LEU 78 HD21 LEU 78 80.506 -12.253 8.710 591 HD22 LEU 78 HD22 LEU 78 79.120 -11.770 7.732 592 HD23 LEU 78 HD23 LEU 78 78.955 -13.068 8.914 593 H HIS 79 HN HIS 79 79.442 -9.037 11.624 594 HA HIS 79 HA HIS 79 79.989 -6.810 9.794 595 HD1 HIS 79 HD1 HIS 79 80.060 -8.161 13.437 596 HD2 HIS 79 HD2 HIS 79 76.946 -5.400 13.154 597 HE1 HIS 79 HE1 HIS 79 78.416 -8.747 15.272 598 HE2 HIS 79 HE2 HIS 79 76.516 -7.074 15.111 599 HB2 HIS 79 HB2 HIS 79 80.377 -5.427 12.108 600 HB3 HIS 79 HB1 HIS 79 78.888 -5.335 11.168 601 H GLU 80 HN GLU 80 82.197 -6.408 9.682 602 HA GLU 80 HA GLU 80 84.135 -6.887 11.673 603 HB2 GLU 80 HB2 GLU 80 83.110 -9.317 10.473 604 HB3 GLU 80 HB1 GLU 80 84.802 -9.123 10.028 605 HG2 GLU 80 HG2 GLU 80 83.851 -8.783 12.876 606 HG3 GLU 80 HG1 GLU 80 84.338 -10.351 12.233 607 H LEU 81 HN LEU 81 86.226 -7.924 9.957 608 HA LEU 81 HA LEU 81 86.588 -5.542 8.257 609 HG LEU 81 HG LEU 81 87.976 -7.306 10.779 610 HB2 LEU 81 HB2 LEU 81 88.498 -7.872 8.493 611 HB3 LEU 81 HB1 LEU 81 88.865 -6.190 8.107 612 HD11 LEU 81 HD11 LEU 81 90.401 -7.469 10.135 613 HD12 LEU 81 HD12 LEU 81 90.115 -6.461 11.553 614 HD13 LEU 81 HD13 LEU 81 90.431 -5.712 9.987 615 HD21 LEU 81 HD21 LEU 81 86.799 -5.241 10.550 616 HD22 LEU 81 HD22 LEU 81 88.175 -4.460 9.771 617 HD23 LEU 81 HD23 LEU 81 88.241 -4.856 11.488 618 H ALA 82 HN ALA 82 84.680 -7.902 7.694 619 HA ALA 82 HA ALA 82 85.706 -9.265 5.378 620 HB1 ALA 82 HB1 ALA 82 82.909 -8.788 6.422 621 HB2 ALA 82 HB2 ALA 82 83.855 -10.275 6.491 622 HB3 ALA 82 HB3 ALA 82 83.221 -9.705 4.947 623 H GLN 83 HN GLN 83 85.292 -6.061 5.701 624 HA GLN 83 HA GLN 83 83.686 -5.103 3.647 625 HB2 GLN 83 HB2 GLN 83 85.350 -3.835 5.229 626 HB3 GLN 83 HB1 GLN 83 86.496 -4.052 3.906 627 HG2 GLN 83 HG2 GLN 83 85.490 -1.968 3.435 628 HG3 GLN 83 HG1 GLN 83 84.620 -3.097 2.395 629 HE21 GLN 83 HE21 GLN 83 82.460 -2.431 2.405 630 HE22 GLN 83 HE22 GLN 83 81.574 -2.041 3.799 631 H TYR 84 HN TYR 84 87.068 -6.211 3.303 632 HA TYR 84 HA TYR 84 86.587 -6.487 0.368 633 HD1 TYR 84 HD2 TYR 84 88.100 -4.035 -0.485 634 HD2 TYR 84 HD1 TYR 84 89.806 -7.976 -0.600 635 HE1 TYR 84 HE2 TYR 84 88.622 -3.739 -2.891 636 HE2 TYR 84 HE1 TYR 84 90.328 -7.679 -3.007 637 HH TYR 84 HH TYR 84 90.674 -5.138 -4.511 638 HB2 TYR 84 HB2 TYR 84 88.666 -5.250 1.580 639 HB3 TYR 84 HB1 TYR 84 89.313 -6.890 1.517 640 H GLY 85 HN GLY 85 85.743 -8.321 2.633 641 HA2 GLY 85 HA2 GLY 85 87.391 -10.707 2.356 642 HA3 GLY 85 HA1 GLY 85 85.833 -10.616 3.179 643 H ILE 86 HN ILE 86 84.767 -9.290 0.615 644 HA ILE 86 HA ILE 86 84.660 -11.724 -1.112 645 HB ILE 86 HB ILE 86 82.650 -11.835 0.215 646 HG12 ILE 86 HG12 ILE 86 81.811 -10.470 -2.350 647 HG13 ILE 86 HG11 ILE 86 82.531 -12.081 -2.346 648 HG21 ILE 86 HG21 ILE 86 82.210 -8.940 -0.582 649 HG22 ILE 86 HG22 ILE 86 82.696 -9.495 1.020 650 HG23 ILE 86 HG23 ILE 86 81.108 -9.921 0.383 651 HD11 ILE 86 HD11 ILE 86 80.083 -12.255 -2.300 652 HD12 ILE 86 HD12 ILE 86 80.026 -11.250 -0.852 653 HD13 ILE 86 HD13 ILE 86 80.762 -12.851 -0.786 654 H1U RCY 87 H1U RCY 87 79.115 -1.866 -0.465 655 H1S RCY 87 H1S RCY 87 82.410 -4.735 0.202 656 HB1 RCY 87 HB1 RCY 87 84.291 -5.424 -3.086 657 HB2 RCY 87 HB2 RCY 87 84.973 -5.866 -1.520 658 HA RCY 87 HA RCY 87 83.885 -7.788 -3.602 659 HN1 RCY 87 HN1 RCY 87 84.532 -8.242 -0.780 Start of MODEL 86 1 HA MET 1 HA MET 1 70.949 -17.954 8.619 2 HB2 MET 1 HB2 MET 1 72.931 -19.027 7.672 3 HB3 MET 1 HB1 MET 1 73.896 -18.522 9.059 4 HG2 MET 1 HG2 MET 1 72.662 -19.934 10.549 5 HG3 MET 1 HG1 MET 1 71.426 -20.248 9.330 6 HE1 MET 1 HE1 MET 1 72.765 -22.638 10.898 7 HE2 MET 1 HE2 MET 1 72.876 -23.742 9.529 8 HE3 MET 1 HE3 MET 1 71.487 -22.668 9.676 9 H ASN 2 HN ASN 2 70.096 -18.435 10.628 10 HA ASN 2 HA ASN 2 71.514 -18.080 13.107 11 HB2 ASN 2 HB2 ASN 2 71.263 -15.700 12.623 12 HB3 ASN 2 HB1 ASN 2 69.537 -15.913 12.329 13 HD21 ASN 2 HD21 ASN 2 68.706 -14.700 14.102 14 HD22 ASN 2 HD22 ASN 2 69.012 -15.095 15.725 15 H LEU 3 HN LEU 3 69.875 -18.222 14.999 16 HA LEU 3 HA LEU 3 68.262 -20.492 14.744 17 HG LEU 3 HG LEU 3 69.981 -19.947 16.556 18 HB2 LEU 3 HB2 LEU 3 68.055 -18.132 16.626 19 HB3 LEU 3 HB1 LEU 3 67.016 -19.549 16.777 20 HD11 LEU 3 HD11 LEU 3 69.914 -18.299 18.290 21 HD12 LEU 3 HD12 LEU 3 70.010 -19.859 19.108 22 HD13 LEU 3 HD13 LEU 3 68.467 -19.012 19.004 23 HD21 LEU 3 HD21 LEU 3 68.476 -21.887 16.521 24 HD22 LEU 3 HD22 LEU 3 67.730 -21.355 18.028 25 HD23 LEU 3 HD23 LEU 3 69.413 -21.882 18.015 26 H GLU 4 HN GLU 4 66.446 -17.617 15.609 27 HA GLU 4 HA GLU 4 64.394 -18.371 13.630 28 HB2 GLU 4 HB2 GLU 4 63.209 -16.342 14.778 29 HB3 GLU 4 HB1 GLU 4 63.405 -17.840 15.687 30 HG2 GLU 4 HG2 GLU 4 65.330 -16.975 16.849 31 HG3 GLU 4 HG1 GLU 4 65.388 -15.554 15.805 32 HA PRO 5 HA PRO 5 66.120 -15.635 10.506 33 HB2 PRO 5 HB2 PRO 5 63.202 -15.375 9.855 34 HB3 PRO 5 HB1 PRO 5 64.574 -15.671 8.769 35 HG2 PRO 5 HG2 PRO 5 62.930 -17.635 9.527 36 HG3 PRO 5 HG1 PRO 5 64.661 -17.908 9.272 37 HD2 PRO 5 HD2 PRO 5 63.136 -17.835 11.816 38 HD3 PRO 5 HD1 PRO 5 64.686 -18.625 11.452 39 HA PRO 6 HA PRO 6 65.381 -11.599 12.229 40 HB2 PRO 6 HB2 PRO 6 66.109 -9.997 10.144 41 HB3 PRO 6 HB1 PRO 6 67.285 -10.924 11.097 42 HG2 PRO 6 HG2 PRO 6 66.126 -11.536 8.424 43 HG3 PRO 6 HG1 PRO 6 67.784 -11.747 9.012 44 HD2 PRO 6 HD2 PRO 6 65.979 -13.811 8.834 45 HD3 PRO 6 HD1 PRO 6 67.317 -13.782 10.004 46 H LYS 7 HN LYS 7 64.035 -9.599 11.905 47 HA LYS 7 HA LYS 7 61.463 -10.294 10.708 48 HB2 LYS 7 HB2 LYS 7 61.638 -8.989 12.824 49 HB3 LYS 7 HB1 LYS 7 62.377 -7.667 11.925 50 HG2 LYS 7 HG2 LYS 7 59.884 -8.611 10.706 51 HG3 LYS 7 HG1 LYS 7 59.656 -7.994 12.343 52 HD2 LYS 7 HD2 LYS 7 61.380 -6.410 10.487 53 HD3 LYS 7 HD1 LYS 7 59.635 -6.361 10.233 54 HE2 LYS 7 HE2 LYS 7 59.234 -5.508 12.417 55 HE3 LYS 7 HE1 LYS 7 60.865 -5.907 12.955 56 HZ1 LYS 7 HZ1 LYS 7 61.552 -3.931 12.280 57 HZ2 LYS 7 HZ2 LYS 7 59.969 -3.528 11.813 58 HZ3 LYS 7 HZ3 LYS 7 61.030 -4.247 10.698 59 H ALA 8 HN ALA 8 64.177 -9.511 9.214 60 HA ALA 8 HA ALA 8 63.940 -7.245 7.666 61 HB1 ALA 8 HB1 ALA 8 64.918 -8.579 5.768 62 HB2 ALA 8 HB2 ALA 8 64.658 -10.037 6.726 63 HB3 ALA 8 HB3 ALA 8 65.770 -8.793 7.298 64 H GLU 9 HN GLU 9 62.686 -10.326 6.355 65 HA GLU 9 HA GLU 9 60.031 -9.316 5.897 66 HB2 GLU 9 HB2 GLU 9 62.076 -9.014 3.721 67 HB3 GLU 9 HB1 GLU 9 60.446 -9.497 3.262 68 HG2 GLU 9 HG2 GLU 9 59.910 -7.455 5.003 69 HG3 GLU 9 HG1 GLU 9 61.421 -6.897 4.284 70 H1U RCY 10 H1U RCY 10 56.062 -7.607 4.182 71 H1S RCY 10 H1S RCY 10 56.668 -10.680 6.759 72 HB1 RCY 10 HB1 RCY 10 57.452 -14.269 4.230 73 HB2 RCY 10 HB2 RCY 10 57.186 -12.609 3.699 74 HA RCY 10 HA RCY 10 59.655 -13.615 5.147 75 HN1 RCY 10 HN1 RCY 10 58.777 -10.890 4.512 76 H ARG 11 HN ARG 11 61.597 -13.236 3.622 77 HA ARG 11 HA ARG 11 62.664 -13.670 1.576 78 HE ARG 11 HE ARG 11 64.026 -17.499 3.850 79 HB2 ARG 11 HB2 ARG 11 60.178 -15.342 1.096 80 HB3 ARG 11 HB1 ARG 11 61.730 -15.520 0.279 81 HG2 ARG 11 HG2 ARG 11 61.299 -15.843 3.264 82 HG3 ARG 11 HG1 ARG 11 61.448 -17.174 2.116 83 HD2 ARG 11 HD2 ARG 11 63.674 -15.848 1.453 84 HD3 ARG 11 HD1 ARG 11 63.537 -15.294 3.122 85 HH11 ARG 11 HH21 ARG 11 63.312 -17.324 0.481 86 HH12 ARG 11 HH22 ARG 11 63.805 -18.952 0.156 87 HH21 ARG 11 HH11 ARG 11 64.674 -19.626 3.445 88 HH22 ARG 11 HH12 ARG 11 64.576 -20.256 1.834 89 H SER 12 HN SER 12 61.413 -14.168 -0.977 90 HA SER 12 HA SER 12 60.539 -12.976 -2.797 91 HG SER 12 HG SER 12 57.475 -13.219 -1.185 92 HB2 SER 12 HB2 SER 12 58.974 -11.252 -0.893 93 HB3 SER 12 HB1 SER 12 58.509 -11.859 -2.479 94 H ALA 13 HN ALA 13 59.826 -10.202 -2.906 95 HA ALA 13 HA ALA 13 62.091 -8.685 -1.810 96 HB1 ALA 13 HB1 ALA 13 61.766 -8.896 -4.815 97 HB2 ALA 13 HB2 ALA 13 62.969 -9.804 -3.901 98 HB3 ALA 13 HB3 ALA 13 63.035 -8.042 -3.937 99 H THR 14 HN THR 14 59.030 -8.742 -2.000 100 HA THR 14 HA THR 14 57.258 -7.255 -2.504 101 HB THR 14 HB THR 14 58.155 -6.383 -0.392 102 HG1 THR 14 HG1 THR 14 57.876 -3.998 -1.693 103 HG21 THR 14 HG21 THR 14 59.790 -4.460 -0.522 104 HG22 THR 14 HG22 THR 14 60.023 -4.859 -2.224 105 HG23 THR 14 HG23 THR 14 60.463 -6.025 -0.976 106 H ARG 15 HN ARG 15 58.680 -7.721 -4.824 107 HA ARG 15 HA ARG 15 59.008 -6.829 -6.955 108 HE ARG 15 HE ARG 15 55.194 -3.327 -6.055 109 HB2 ARG 15 HB2 ARG 15 57.641 -4.317 -5.982 110 HB3 ARG 15 HB1 ARG 15 57.649 -5.002 -7.607 111 HG2 ARG 15 HG2 ARG 15 56.443 -7.022 -6.627 112 HG3 ARG 15 HG1 ARG 15 56.223 -6.068 -5.160 113 HD2 ARG 15 HD2 ARG 15 55.025 -5.670 -7.878 114 HD3 ARG 15 HD1 ARG 15 54.262 -5.553 -6.292 115 HH11 ARG 15 HH21 ARG 15 55.893 -4.943 -9.019 116 HH12 ARG 15 HH22 ARG 15 56.373 -3.500 -9.847 117 HH21 ARG 15 HH11 ARG 15 55.818 -1.433 -7.119 118 HH22 ARG 15 HH12 ARG 15 56.331 -1.512 -8.771 119 H VAL 16 HN VAL 16 60.283 -5.151 -8.098 120 HA VAL 16 HA VAL 16 61.768 -3.217 -6.464 121 HB VAL 16 HB VAL 16 63.007 -5.334 -6.066 122 HG11 VAL 16 HG11 VAL 16 63.577 -5.307 -9.038 123 HG12 VAL 16 HG12 VAL 16 62.321 -6.313 -8.317 124 HG13 VAL 16 HG13 VAL 16 64.009 -6.554 -7.869 125 HG21 VAL 16 HG21 VAL 16 65.223 -4.504 -6.790 126 HG22 VAL 16 HG22 VAL 16 64.233 -3.192 -6.149 127 HG23 VAL 16 HG23 VAL 16 64.436 -3.373 -7.891 128 H MET 17 HN MET 17 61.051 -4.739 -9.536 129 HA MET 17 HA MET 17 62.556 -2.822 -11.129 130 HB2 MET 17 HB2 MET 17 61.899 -5.167 -11.862 131 HB3 MET 17 HB1 MET 17 60.252 -4.564 -12.041 132 HG2 MET 17 HG2 MET 17 61.300 -2.708 -13.509 133 HG3 MET 17 HG1 MET 17 62.722 -3.750 -13.571 134 HE1 MET 17 HE1 MET 17 60.912 -6.689 -13.344 135 HE2 MET 17 HE2 MET 17 62.528 -6.231 -13.879 136 HE3 MET 17 HE3 MET 17 61.432 -7.039 -14.997 137 H GLY 18 HN GLY 18 61.833 -0.738 -10.517 138 HA2 GLY 18 HA2 GLY 18 58.977 -0.102 -10.519 139 HA3 GLY 18 HA1 GLY 18 60.294 1.049 -10.286 140 H GLY 19 HN GLY 19 58.631 -0.860 -12.792 141 HA2 GLY 19 HA2 GLY 19 58.159 -0.290 -15.023 142 HA3 GLY 19 HA1 GLY 19 58.615 1.368 -14.627 143 HA PRO 20 HA PRO 20 61.738 -0.585 -17.593 144 HB2 PRO 20 HB2 PRO 20 61.584 2.217 -18.607 145 HB3 PRO 20 HB1 PRO 20 61.600 0.690 -19.510 146 HG2 PRO 20 HG2 PRO 20 59.371 2.125 -19.213 147 HG3 PRO 20 HG1 PRO 20 59.348 0.353 -19.243 148 HD2 PRO 20 HD2 PRO 20 59.028 2.202 -16.915 149 HD3 PRO 20 HD1 PRO 20 58.311 0.599 -17.192 150 H1U RCY 21 H1U RCY 21 63.800 3.796 -11.708 151 H1S RCY 21 H1S RCY 21 67.269 1.657 -13.614 152 HB1 RCY 21 HB1 RCY 21 66.910 1.937 -17.435 153 HB2 RCY 21 HB2 RCY 21 65.826 0.587 -17.764 154 HA RCY 21 HA RCY 21 64.713 2.422 -15.780 155 HN1 RCY 21 HN1 RCY 21 63.536 1.653 -18.412 156 H THR 22 HN THR 22 64.214 4.603 -16.037 157 HA THR 22 HA THR 22 65.030 5.951 -18.551 158 HB THR 22 HB THR 22 63.621 7.713 -17.924 159 HG1 THR 22 HG1 THR 22 64.202 6.813 -15.329 160 HG21 THR 22 HG21 THR 22 62.426 5.484 -18.198 161 HG22 THR 22 HG22 THR 22 61.539 6.712 -17.294 162 HG23 THR 22 HG23 THR 22 62.354 5.404 -16.437 163 HA PRO 23 HA PRO 23 69.047 6.872 -16.706 164 HB2 PRO 23 HB2 PRO 23 68.662 9.267 -18.479 165 HB3 PRO 23 HB1 PRO 23 70.099 8.245 -18.266 166 HG2 PRO 23 HG2 PRO 23 68.492 7.979 -20.380 167 HG3 PRO 23 HG1 PRO 23 69.277 6.582 -19.626 168 HD2 PRO 23 HD2 PRO 23 66.416 7.367 -19.579 169 HD3 PRO 23 HD1 PRO 23 67.151 5.768 -19.333 170 H ARG 24 HN ARG 24 69.926 8.550 -15.282 171 HA ARG 24 HA ARG 24 69.701 10.092 -13.528 172 HE ARG 24 HE ARG 24 69.215 14.773 -12.628 173 HB2 ARG 24 HB2 ARG 24 69.193 11.499 -15.670 174 HB3 ARG 24 HB1 ARG 24 67.516 11.420 -15.129 175 HG2 ARG 24 HG2 ARG 24 68.118 12.419 -12.985 176 HG3 ARG 24 HG1 ARG 24 69.825 12.408 -13.428 177 HD2 ARG 24 HD2 ARG 24 69.423 13.977 -15.238 178 HD3 ARG 24 HD1 ARG 24 67.682 13.900 -14.968 179 HH11 ARG 24 HH21 ARG 24 67.569 15.609 -15.540 180 HH12 ARG 24 HH22 ARG 24 67.251 17.239 -15.049 181 HH21 ARG 24 HH11 ARG 24 68.809 16.897 -11.970 182 HH22 ARG 24 HH12 ARG 24 67.952 17.968 -13.028 183 H LYS 25 HN LYS 25 67.990 11.006 -11.952 184 HA LYS 25 HA LYS 25 65.465 9.461 -11.942 185 HB2 LYS 25 HB2 LYS 25 66.255 9.182 -9.304 186 HB3 LYS 25 HB1 LYS 25 66.343 7.916 -10.524 187 HG2 LYS 25 HG2 LYS 25 68.526 8.113 -9.484 188 HG3 LYS 25 HG1 LYS 25 68.641 8.744 -11.127 189 HD2 LYS 25 HD2 LYS 25 68.717 10.975 -10.403 190 HD3 LYS 25 HD1 LYS 25 68.004 10.590 -8.836 191 HE2 LYS 25 HE2 LYS 25 70.395 11.032 -8.562 192 HE3 LYS 25 HE1 LYS 25 70.066 9.329 -8.240 193 HZ1 LYS 25 HZ1 LYS 25 70.580 9.782 -10.999 194 HZ2 LYS 25 HZ2 LYS 25 71.358 8.727 -9.918 195 HZ3 LYS 25 HZ3 LYS 25 71.868 10.342 -10.048 196 H GLY 26 HN GLY 26 67.413 12.137 -10.888 197 HA2 GLY 26 HA2 GLY 26 65.707 14.158 -10.700 198 HA3 GLY 26 HA1 GLY 26 65.167 13.250 -9.287 199 HA PRO 27 HA PRO 27 68.045 15.033 -6.500 200 HB2 PRO 27 HB2 PRO 27 69.534 12.591 -5.975 201 HB3 PRO 27 HB1 PRO 27 68.375 13.425 -4.929 202 HG2 PRO 27 HG2 PRO 27 67.998 11.083 -6.598 203 HG3 PRO 27 HG1 PRO 27 66.967 11.726 -5.313 204 HD2 PRO 27 HD2 PRO 27 66.289 11.775 -7.982 205 HD3 PRO 27 HD1 PRO 27 65.666 12.934 -6.785 206 HA PRO 28 HA PRO 28 71.945 16.207 -8.191 207 HB2 PRO 28 HB2 PRO 28 73.294 14.474 -6.138 208 HB3 PRO 28 HB1 PRO 28 73.676 16.137 -6.630 209 HG2 PRO 28 HG2 PRO 28 72.322 15.612 -4.391 210 HG3 PRO 28 HG1 PRO 28 71.972 17.038 -5.381 211 HD2 PRO 28 HD2 PRO 28 70.348 14.593 -4.997 212 HD3 PRO 28 HD1 PRO 28 69.844 16.204 -5.552 213 H LYS 29 HN LYS 29 73.232 15.452 -9.865 214 HA LYS 29 HA LYS 29 73.060 12.549 -10.467 215 HB2 LYS 29 HB2 LYS 29 74.123 13.403 -12.686 216 HB3 LYS 29 HB1 LYS 29 72.439 13.809 -12.357 217 HG2 LYS 29 HG2 LYS 29 73.082 16.009 -11.531 218 HG3 LYS 29 HG1 LYS 29 74.791 15.609 -11.709 219 HD2 LYS 29 HD2 LYS 29 74.598 15.486 -14.102 220 HD3 LYS 29 HD1 LYS 29 72.839 15.586 -14.023 221 HE2 LYS 29 HE2 LYS 29 74.800 17.761 -13.237 222 HE3 LYS 29 HE1 LYS 29 73.732 17.769 -14.640 223 HZ1 LYS 29 HZ1 LYS 29 73.145 18.347 -11.880 224 HZ2 LYS 29 HZ2 LYS 29 72.026 17.298 -12.611 225 HZ3 LYS 29 HZ3 LYS 29 72.328 18.828 -13.286 226 H1U RCY 30 H1U RCY 30 80.604 9.446 -4.730 227 H1S RCY 30 H1S RCY 30 78.537 10.960 -7.949 228 HB1 RCY 30 HB1 RCY 30 78.338 10.617 -9.794 229 HB2 RCY 30 HB2 RCY 30 76.921 9.946 -10.602 230 HA RCY 30 HA RCY 30 77.632 12.883 -10.341 231 HN1 RCY 30 HN1 RCY 30 75.244 11.932 -11.828 232 H LYS 31 HN LYS 31 79.666 12.019 -11.401 233 HA LYS 31 HA LYS 31 79.526 10.809 -14.017 234 HB2 LYS 31 HB2 LYS 31 80.184 12.772 -15.352 235 HB3 LYS 31 HB1 LYS 31 78.612 13.034 -14.597 236 HG2 LYS 31 HG2 LYS 31 80.007 14.104 -12.658 237 HG3 LYS 31 HG1 LYS 31 81.274 14.237 -13.878 238 HD2 LYS 31 HD2 LYS 31 78.455 15.319 -14.171 239 HD3 LYS 31 HD1 LYS 31 79.876 16.287 -13.777 240 HE2 LYS 31 HE2 LYS 31 79.373 14.732 -16.327 241 HE3 LYS 31 HE1 LYS 31 79.512 16.482 -16.153 242 HZ1 LYS 31 HZ1 LYS 31 81.811 16.098 -15.334 243 HZ2 LYS 31 HZ2 LYS 31 81.574 15.657 -16.957 244 HZ3 LYS 31 HZ3 LYS 31 81.648 14.462 -15.752 245 H GLN 32 HN GLN 32 81.113 11.608 -11.276 246 HA GLN 32 HA GLN 32 83.815 11.913 -12.378 247 HB2 GLN 32 HB2 GLN 32 82.859 11.411 -9.541 248 HB3 GLN 32 HB1 GLN 32 84.519 11.792 -10.000 249 HG2 GLN 32 HG2 GLN 32 83.892 13.966 -10.797 250 HG3 GLN 32 HG1 GLN 32 82.174 13.582 -10.678 251 HE21 GLN 32 HE21 GLN 32 82.813 15.815 -9.296 252 HE22 GLN 32 HE22 GLN 32 82.933 15.521 -7.629 253 H ARG 33 HN ARG 33 85.037 10.140 -10.347 254 HA ARG 33 HA ARG 33 84.209 7.445 -11.303 255 HE ARG 33 HE ARG 33 88.547 6.619 -13.356 256 HB2 ARG 33 HB2 ARG 33 87.023 8.566 -11.441 257 HB3 ARG 33 HB1 ARG 33 86.601 6.876 -11.721 258 HG2 ARG 33 HG2 ARG 33 85.149 7.532 -13.594 259 HG3 ARG 33 HG1 ARG 33 85.531 9.230 -13.307 260 HD2 ARG 33 HD2 ARG 33 86.897 8.222 -15.145 261 HD3 ARG 33 HD1 ARG 33 87.879 8.838 -13.816 262 HH11 ARG 33 HH21 ARG 33 85.756 6.756 -15.374 263 HH12 ARG 33 HH22 ARG 33 85.739 5.053 -15.693 264 HH21 ARG 33 HH11 ARG 33 88.542 4.395 -13.760 265 HH22 ARG 33 HH12 ARG 33 87.317 3.717 -14.779 266 H GLN 34 HN GLN 34 87.104 8.488 -9.569 267 HA GLN 34 HA GLN 34 87.857 7.983 -7.406 268 HB2 GLN 34 HB2 GLN 34 85.630 9.202 -6.918 269 HB3 GLN 34 HB1 GLN 34 84.964 7.594 -6.632 270 HG2 GLN 34 HG2 GLN 34 86.922 7.220 -5.030 271 HG3 GLN 34 HG1 GLN 34 87.225 8.954 -5.154 272 HE21 GLN 34 HE21 GLN 34 84.968 6.528 -3.915 273 HE22 GLN 34 HE22 GLN 34 84.034 7.606 -2.996 274 H THR 35 HN THR 35 88.817 5.980 -7.939 275 HA THR 35 HA THR 35 87.669 3.661 -6.659 276 HB THR 35 HB THR 35 86.294 3.242 -8.493 277 HG1 THR 35 HG1 THR 35 87.268 1.392 -8.661 278 HG21 THR 35 HG21 THR 35 88.494 4.524 -10.115 279 HG22 THR 35 HG22 THR 35 86.831 5.073 -9.905 280 HG23 THR 35 HG23 THR 35 87.170 3.639 -10.873 281 H ARG 36 HN ARG 36 89.884 4.134 -5.785 282 HA ARG 36 HA ARG 36 91.818 2.320 -6.915 283 HE ARG 36 HE ARG 36 96.288 3.962 -9.442 284 HB2 ARG 36 HB2 ARG 36 91.824 4.784 -8.162 285 HB3 ARG 36 HB1 ARG 36 93.043 5.011 -6.911 286 HG2 ARG 36 HG2 ARG 36 94.266 3.053 -7.670 287 HG3 ARG 36 HG1 ARG 36 92.994 2.660 -8.828 288 HD2 ARG 36 HD2 ARG 36 93.499 4.518 -10.195 289 HD3 ARG 36 HD1 ARG 36 94.407 5.323 -8.915 290 HH11 ARG 36 HH21 ARG 36 93.396 2.982 -11.043 291 HH12 ARG 36 HH22 ARG 36 94.203 1.887 -12.116 292 HH21 ARG 36 HH11 ARG 36 97.358 2.539 -10.833 293 HH22 ARG 36 HH12 ARG 36 96.447 1.636 -11.997 294 H GLN 37 HN GLN 37 90.422 3.572 -4.394 295 HA GLN 37 HA GLN 37 92.828 3.274 -2.664 296 HB2 GLN 37 HB2 GLN 37 90.800 5.461 -2.166 297 HB3 GLN 37 HB1 GLN 37 92.388 5.256 -1.425 298 HG2 GLN 37 HG2 GLN 37 92.729 6.958 -3.031 299 HG3 GLN 37 HG1 GLN 37 93.322 5.499 -3.827 300 HE21 GLN 37 HE21 GLN 37 92.698 7.222 -5.708 301 HE22 GLN 37 HE22 GLN 37 91.149 6.995 -6.364 302 H1U RCY 38 H1U RCY 38 83.420 4.044 1.398 303 H1S RCY 38 H1S RCY 38 86.961 5.502 0.110 304 HB1 RCY 38 HB1 RCY 38 88.790 3.270 1.607 305 HB2 RCY 38 HB2 RCY 38 88.037 2.336 0.317 306 HA RCY 38 HA RCY 38 90.689 2.091 1.320 307 HN1 RCY 38 HN1 RCY 38 91.804 3.494 -0.220 308 H LYS 39 HN LYS 39 91.454 0.012 0.721 309 HA LYS 39 HA LYS 39 89.396 -1.737 -0.422 310 HB2 LYS 39 HB2 LYS 39 91.664 -0.795 -2.009 311 HB3 LYS 39 HB1 LYS 39 91.655 -2.553 -1.874 312 HG2 LYS 39 HG2 LYS 39 89.417 -2.690 -2.746 313 HG3 LYS 39 HG1 LYS 39 89.208 -0.941 -2.643 314 HD2 LYS 39 HD2 LYS 39 91.522 -1.897 -4.245 315 HD3 LYS 39 HD1 LYS 39 89.923 -2.190 -4.928 316 HE2 LYS 39 HE2 LYS 39 90.730 -0.020 -5.694 317 HE3 LYS 39 HE1 LYS 39 89.380 0.224 -4.587 318 HZ1 LYS 39 HZ1 LYS 39 91.335 1.679 -4.172 319 HZ2 LYS 39 HZ2 LYS 39 92.224 0.294 -3.751 320 HZ3 LYS 39 HZ3 LYS 39 90.869 0.748 -2.833 321 H SER 40 HN SER 40 92.154 -1.119 1.464 322 HA SER 40 HA SER 40 92.139 -3.945 2.416 323 HG SER 40 HG SER 40 94.215 -1.594 0.871 324 HB2 SER 40 HB2 SER 40 94.664 -3.757 2.642 325 HB3 SER 40 HB1 SER 40 94.069 -3.879 0.989 326 H LYS 41 HN LYS 41 91.317 -1.048 3.279 327 HA LYS 41 HA LYS 41 92.448 -1.300 6.033 328 HB2 LYS 41 HB2 LYS 41 92.522 1.179 6.166 329 HB3 LYS 41 HB1 LYS 41 93.607 0.547 4.929 330 HG2 LYS 41 HG2 LYS 41 91.546 0.876 3.337 331 HG3 LYS 41 HG1 LYS 41 90.989 1.986 4.589 332 HD2 LYS 41 HD2 LYS 41 92.253 3.287 3.006 333 HD3 LYS 41 HD1 LYS 41 93.249 3.120 4.452 334 HE2 LYS 41 HE2 LYS 41 93.584 0.957 2.469 335 HE3 LYS 41 HE1 LYS 41 94.116 2.547 1.922 336 HZ1 LYS 41 HZ1 LYS 41 95.549 0.860 3.483 337 HZ2 LYS 41 HZ2 LYS 41 94.905 1.949 4.616 338 HZ3 LYS 41 HZ3 LYS 41 95.835 2.523 3.316 339 HA PRO 42 HA PRO 42 87.933 -1.124 6.495 340 HB2 PRO 42 HB2 PRO 42 87.778 -2.417 8.869 341 HB3 PRO 42 HB1 PRO 42 88.083 -3.277 7.346 342 HG2 PRO 42 HG2 PRO 42 89.989 -2.513 9.493 343 HG3 PRO 42 HG1 PRO 42 89.936 -3.975 8.496 344 HD2 PRO 42 HD2 PRO 42 91.633 -1.806 8.048 345 HD3 PRO 42 HD1 PRO 42 91.195 -3.024 6.830 346 HA PRO 43 HA PRO 43 87.530 2.374 9.200 347 HB2 PRO 43 HB2 PRO 43 84.925 2.184 9.978 348 HB3 PRO 43 HB1 PRO 43 85.401 2.615 8.323 349 HG2 PRO 43 HG2 PRO 43 84.479 -0.005 9.395 350 HG3 PRO 43 HG1 PRO 43 84.087 0.789 7.860 351 HD2 PRO 43 HD2 PRO 43 85.940 -1.230 8.081 352 HD3 PRO 43 HD1 PRO 43 86.005 0.024 6.822 353 H LYS 44 HN LYS 44 87.072 3.024 11.476 354 HA LYS 44 HA LYS 44 88.208 1.300 13.396 355 HB2 LYS 44 HB2 LYS 44 86.221 3.546 13.854 356 HB3 LYS 44 HB1 LYS 44 87.268 2.841 15.084 357 HG2 LYS 44 HG2 LYS 44 89.228 3.453 13.546 358 HG3 LYS 44 HG1 LYS 44 88.074 4.443 12.652 359 HD2 LYS 44 HD2 LYS 44 88.844 6.011 14.172 360 HD3 LYS 44 HD1 LYS 44 87.491 5.343 15.086 361 HE2 LYS 44 HE2 LYS 44 89.407 5.393 16.555 362 HE3 LYS 44 HE1 LYS 44 89.107 3.709 16.127 363 HZ1 LYS 44 HZ1 LYS 44 91.323 5.438 15.409 364 HZ2 LYS 44 HZ2 LYS 44 90.742 4.440 14.162 365 HZ3 LYS 44 HZ3 LYS 44 91.282 3.756 15.621 366 H LYS 45 HN LYS 45 84.749 2.066 12.940 367 HA LYS 45 HA LYS 45 82.980 0.423 12.990 368 HB2 LYS 45 HB2 LYS 45 84.668 -1.452 13.151 369 HB3 LYS 45 HB1 LYS 45 84.730 -1.163 14.890 370 HG2 LYS 45 HG2 LYS 45 83.140 -2.944 14.482 371 HG3 LYS 45 HG1 LYS 45 82.240 -1.506 14.967 372 HD2 LYS 45 HD2 LYS 45 81.442 -1.113 12.810 373 HD3 LYS 45 HD1 LYS 45 82.758 -2.010 12.051 374 HE2 LYS 45 HE2 LYS 45 80.616 -3.301 13.761 375 HE3 LYS 45 HE1 LYS 45 80.538 -3.207 12.002 376 HZ1 LYS 45 HZ1 LYS 45 83.012 -4.171 12.408 377 HZ2 LYS 45 HZ2 LYS 45 81.646 -5.130 12.087 378 HZ3 LYS 45 HZ3 LYS 45 82.164 -4.894 13.688 379 H GLY 46 HN GLY 46 81.253 0.706 14.359 380 HA2 GLY 46 HA2 GLY 46 80.254 0.921 16.570 381 HA3 GLY 46 HA1 GLY 46 81.812 1.477 17.184 382 H VAL 47 HN VAL 47 78.785 2.508 16.353 383 HA VAL 47 HA VAL 47 78.002 4.581 15.368 384 HB VAL 47 HB VAL 47 78.003 6.168 17.178 385 HG11 VAL 47 HG11 VAL 47 76.814 3.998 17.546 386 HG12 VAL 47 HG12 VAL 47 77.360 4.743 19.048 387 HG13 VAL 47 HG13 VAL 47 78.253 3.386 18.362 388 HG21 VAL 47 HG21 VAL 47 80.079 6.583 18.022 389 HG22 VAL 47 HG22 VAL 47 80.640 4.942 17.697 390 HG23 VAL 47 HG23 VAL 47 79.693 5.280 19.147 391 H GLN 48 HN GLN 48 79.918 4.322 13.653 392 HA GLN 48 HA GLN 48 82.290 5.770 13.733 393 HB2 GLN 48 HB2 GLN 48 81.645 4.463 11.772 394 HB3 GLN 48 HB1 GLN 48 80.321 5.578 11.432 395 HG2 GLN 48 HG2 GLN 48 81.841 7.371 10.945 396 HG3 GLN 48 HG1 GLN 48 83.216 6.453 11.559 397 HE21 GLN 48 HE21 GLN 48 84.420 5.418 9.966 398 HE22 GLN 48 HE22 GLN 48 83.834 4.968 8.438 399 H GLY 49 HN GLY 49 79.712 7.280 11.848 400 HA2 GLY 49 HA2 GLY 49 78.785 9.428 13.111 401 HA3 GLY 49 HA1 GLY 49 80.484 9.896 13.019 402 H1U RCY 50 H1U RCY 50 83.987 7.502 4.230 403 H1S RCY 50 H1S RCY 50 80.413 10.143 5.785 404 HB1 RCY 50 HB1 RCY 50 79.035 9.063 7.271 405 HB2 RCY 50 HB2 RCY 50 79.985 8.734 8.719 406 HA RCY 50 HA RCY 50 78.030 10.904 9.071 407 HN1 RCY 50 HN1 RCY 50 77.812 8.776 10.927 408 H GLY 51 HN GLY 51 77.107 7.653 9.861 409 HA2 GLY 51 HA2 GLY 51 74.964 7.762 7.774 410 HA3 GLY 51 HA1 GLY 51 75.626 6.259 8.419 411 H ASP 52 HN ASP 52 74.860 9.067 10.412 412 HA ASP 52 HA ASP 52 72.247 8.155 11.223 413 HB2 ASP 52 HB2 ASP 52 73.852 6.409 12.229 414 HB3 ASP 52 HB1 ASP 52 74.395 7.701 13.300 415 H ASP 53 HN ASP 53 73.707 10.629 10.533 416 HA ASP 53 HA ASP 53 72.718 12.266 12.764 417 HB2 ASP 53 HB2 ASP 53 75.130 11.613 13.317 418 HB3 ASP 53 HB1 ASP 53 75.607 12.586 11.925 419 H ILE 54 HN ILE 54 75.133 12.973 10.240 420 HA ILE 54 HA ILE 54 73.076 14.650 8.852 421 HB ILE 54 HB ILE 54 75.982 15.382 9.324 422 HG12 ILE 54 HG12 ILE 54 73.514 16.738 10.433 423 HG13 ILE 54 HG11 ILE 54 74.379 15.484 11.323 424 HG21 ILE 54 HG21 ILE 54 73.684 16.735 7.896 425 HG22 ILE 54 HG22 ILE 54 75.270 16.320 7.246 426 HG23 ILE 54 HG23 ILE 54 75.115 17.616 8.432 427 HD11 ILE 54 HD11 ILE 54 76.372 16.789 11.423 428 HD12 ILE 54 HD12 ILE 54 75.064 17.900 11.827 429 HD13 ILE 54 HD13 ILE 54 75.776 17.925 10.213 430 HA PRO 55 HA PRO 55 75.215 11.877 5.844 431 HB2 PRO 55 HB2 PRO 55 73.043 10.618 4.862 432 HB3 PRO 55 HB1 PRO 55 73.769 10.148 6.412 433 HG2 PRO 55 HG2 PRO 55 71.320 11.740 5.884 434 HG3 PRO 55 HG1 PRO 55 71.650 10.564 7.165 435 HD2 PRO 55 HD2 PRO 55 71.793 13.352 7.446 436 HD3 PRO 55 HD1 PRO 55 72.509 12.165 8.557 437 H GLY 56 HN GLY 56 75.784 12.928 3.983 438 HA2 GLY 56 HA2 GLY 56 75.628 14.394 2.144 439 HA3 GLY 56 HA1 GLY 56 74.162 13.475 1.800 440 H MET 57 HN MET 57 74.505 15.371 4.730 441 HA MET 57 HA MET 57 73.208 17.164 5.516 442 HB2 MET 57 HB2 MET 57 73.445 18.046 2.622 443 HB3 MET 57 HB1 MET 57 73.048 19.080 3.995 444 HG2 MET 57 HG2 MET 57 75.594 17.464 3.954 445 HG3 MET 57 HG1 MET 57 75.511 19.049 3.185 446 HE1 MET 57 HE1 MET 57 75.242 21.591 5.842 447 HE2 MET 57 HE2 MET 57 74.245 21.074 4.485 448 HE3 MET 57 HE3 MET 57 75.998 21.129 4.312 449 H GLU 58 HN GLU 58 71.711 14.879 4.835 450 HA GLU 58 HA GLU 58 69.517 14.211 4.345 451 HB2 GLU 58 HB2 GLU 58 69.260 16.284 5.947 452 HB3 GLU 58 HB1 GLU 58 68.682 17.099 4.493 453 HG2 GLU 58 HG2 GLU 58 67.563 14.527 5.650 454 HG3 GLU 58 HG1 GLU 58 66.795 16.114 5.722 455 H GLY 59 HN GLY 59 69.543 13.573 2.202 456 HA2 GLY 59 HA2 GLY 59 68.075 14.561 0.197 457 HA3 GLY 59 HA1 GLY 59 69.469 15.637 0.078 458 H1U RCY 60 H1U RCY 60 75.074 6.619 1.478 459 H1S RCY 60 H1S RCY 60 75.053 9.529 -1.341 460 HB1 RCY 60 HB1 RCY 60 71.936 11.803 -0.158 461 HB2 RCY 60 HB2 RCY 60 73.357 12.751 -0.597 462 HA RCY 60 HA RCY 60 72.327 13.515 -2.623 463 HN1 RCY 60 HN1 RCY 60 71.153 14.935 -1.155 464 H GLY 61 HN GLY 61 70.754 10.717 -1.252 465 HA2 GLY 61 HA2 GLY 61 68.818 10.582 -3.493 466 HA3 GLY 61 HA1 GLY 61 70.026 9.299 -3.395 467 H THR 62 HN THR 62 67.875 10.991 -1.076 468 HA THR 62 HA THR 62 67.639 8.908 0.790 469 HB THR 62 HB THR 62 66.667 10.961 1.424 470 HG1 THR 62 HG1 THR 62 64.905 10.132 2.191 471 HG21 THR 62 HG21 THR 62 64.723 11.895 -0.008 472 HG22 THR 62 HG22 THR 62 65.321 10.818 -1.269 473 HG23 THR 62 HG23 THR 62 66.363 12.087 -0.626 474 H ASP 63 HN ASP 63 67.536 6.886 -0.352 475 HA ASP 63 HA ASP 63 65.473 6.335 -2.294 476 HB2 ASP 63 HB2 ASP 63 67.748 5.062 -1.682 477 HB3 ASP 63 HB1 ASP 63 66.653 4.113 -0.679 478 H ILE 64 HN ILE 64 65.668 6.084 1.221 479 HA ILE 64 HA ILE 64 62.850 5.098 1.211 480 HB ILE 64 HB ILE 64 65.081 3.986 2.524 481 HG12 ILE 64 HG12 ILE 64 62.124 3.606 3.102 482 HG13 ILE 64 HG11 ILE 64 63.000 2.837 1.778 483 HG21 ILE 64 HG21 ILE 64 64.926 5.744 4.228 484 HG22 ILE 64 HG22 ILE 64 64.430 4.197 4.913 485 HG23 ILE 64 HG23 ILE 64 63.214 5.391 4.460 486 HD11 ILE 64 HD11 ILE 64 64.338 2.484 4.355 487 HD12 ILE 64 HD12 ILE 64 63.897 1.277 3.147 488 HD13 ILE 64 HD13 ILE 64 62.711 1.805 4.341 489 H THR 65 HN THR 65 65.136 7.166 2.972 490 HA THR 65 HA THR 65 63.287 9.366 3.147 491 HB THR 65 HB THR 65 63.646 7.626 5.610 492 HG1 THR 65 HG1 THR 65 61.320 8.678 4.384 493 HG21 THR 65 HG21 THR 65 63.910 9.747 6.532 494 HG22 THR 65 HG22 THR 65 62.156 9.570 6.579 495 HG23 THR 65 HG23 THR 65 62.912 10.518 5.299 496 H VAL 66 HN VAL 66 66.195 8.000 3.164 497 HA VAL 66 HA VAL 66 67.909 10.080 3.158 498 HB VAL 66 HB VAL 66 66.994 9.607 5.977 499 HG11 VAL 66 HG11 VAL 66 69.277 10.576 6.705 500 HG12 VAL 66 HG12 VAL 66 69.864 10.020 5.137 501 HG13 VAL 66 HG13 VAL 66 69.217 8.861 6.299 502 HG21 VAL 66 HG21 VAL 66 66.813 11.880 5.983 503 HG22 VAL 66 HG22 VAL 66 66.925 11.722 4.230 504 HG23 VAL 66 HG23 VAL 66 68.366 12.097 5.175 505 H ILE 67 HN ILE 67 67.820 7.367 5.493 506 HA ILE 67 HA ILE 67 69.833 5.964 3.803 507 HB ILE 67 HB ILE 67 70.065 6.599 6.749 508 HG12 ILE 67 HG12 ILE 67 72.107 6.684 4.510 509 HG13 ILE 67 HG11 ILE 67 71.109 8.066 4.962 510 HG21 ILE 67 HG21 ILE 67 71.233 4.304 5.176 511 HG22 ILE 67 HG22 ILE 67 70.452 4.268 6.757 512 HG23 ILE 67 HG23 ILE 67 72.065 4.960 6.586 513 HD11 ILE 67 HD11 ILE 67 72.092 8.226 7.105 514 HD12 ILE 67 HD12 ILE 67 73.455 7.887 6.038 515 HD13 ILE 67 HD13 ILE 67 72.757 6.595 7.016 516 H1U RCY 68 H1U RCY 68 72.897 3.637 3.251 517 H1S RCY 68 H1S RCY 68 69.182 1.717 1.852 518 HB1 RCY 68 HB1 RCY 68 66.024 1.933 2.940 519 HB2 RCY 68 HB2 RCY 68 67.638 1.233 2.917 520 HA RCY 68 HA RCY 68 66.469 3.119 4.814 521 HN1 RCY 68 HN1 RCY 68 68.463 4.304 3.168 522 HA PRO 69 HA PRO 69 69.356 0.935 7.476 523 HB2 PRO 69 HB2 PRO 69 67.524 -0.242 9.118 524 HB3 PRO 69 HB1 PRO 69 67.955 1.475 9.228 525 HG2 PRO 69 HG2 PRO 69 65.572 0.205 7.984 526 HG3 PRO 69 HG1 PRO 69 65.698 1.710 8.909 527 HD2 PRO 69 HD2 PRO 69 65.547 1.612 6.153 528 HD3 PRO 69 HD1 PRO 69 66.290 2.950 7.058 529 H TRP 70 HN TRP 70 67.235 -0.453 5.238 530 HA TRP 70 HA TRP 70 67.665 -3.229 6.053 531 HD1 TRP 70 HD1 TRP 70 67.717 -5.011 3.054 532 HE1 TRP 70 HE1 TRP 70 68.148 -4.694 0.533 533 HE3 TRP 70 HE3 TRP 70 65.848 -0.301 2.425 534 HZ2 TRP 70 HZ2 TRP 70 67.752 -2.702 -1.488 535 HZ3 TRP 70 HZ3 TRP 70 65.886 0.780 0.199 536 HH2 TRP 70 HH2 TRP 70 66.834 -0.410 -1.757 537 HB2 TRP 70 HB2 TRP 70 65.913 -3.611 4.686 538 HB3 TRP 70 HB1 TRP 70 65.853 -1.883 4.368 539 H GLU 71 HN GLU 71 69.656 -0.946 4.688 540 HA GLU 71 HA GLU 71 71.352 -3.100 3.489 541 HB2 GLU 71 HB2 GLU 71 71.284 -0.332 2.305 542 HB3 GLU 71 HB1 GLU 71 71.866 -1.829 1.580 543 HG2 GLU 71 HG2 GLU 71 69.453 -2.667 1.724 544 HG3 GLU 71 HG1 GLU 71 69.003 -0.999 2.081 545 H ALA 72 HN ALA 72 71.037 -0.486 5.623 546 HA ALA 72 HA ALA 72 73.617 0.679 5.604 547 HB1 ALA 72 HB1 ALA 72 73.181 1.073 8.078 548 HB2 ALA 72 HB2 ALA 72 71.693 0.146 7.881 549 HB3 ALA 72 HB3 ALA 72 71.917 1.653 6.994 550 H1U RCY 73 H1U RCY 73 74.826 1.650 4.055 551 H1S RCY 73 H1S RCY 73 75.119 1.392 8.150 552 HB1 RCY 73 HB1 RCY 73 77.757 -0.788 7.826 553 HB2 RCY 73 HB2 RCY 73 77.651 -1.669 9.348 554 HA RCY 73 HA RCY 73 76.104 -2.438 7.428 555 HN1 RCY 73 HN1 RCY 73 75.010 0.245 7.839 556 H ASN 74 HN ASN 74 73.400 -2.358 8.454 557 HA ASN 74 HA ASN 74 73.125 -2.668 11.230 558 HB2 ASN 74 HB2 ASN 74 71.211 -2.709 9.691 559 HB3 ASN 74 HB1 ASN 74 71.760 -4.249 9.030 560 HD21 ASN 74 HD21 ASN 74 69.617 -5.129 9.809 561 HD22 ASN 74 HD22 ASN 74 69.453 -5.561 11.443 562 H HIS 75 HN HIS 75 74.497 -4.881 8.863 563 HA HIS 75 HA HIS 75 75.932 -6.358 10.854 564 HD1 HIS 75 HD1 HIS 75 71.549 -8.415 10.899 565 HD2 HIS 75 HD2 HIS 75 73.538 -6.515 7.763 566 HE1 HIS 75 HE1 HIS 75 69.823 -8.027 9.087 567 HE2 HIS 75 HE2 HIS 75 71.020 -6.871 7.172 568 HB2 HIS 75 HB2 HIS 75 74.642 -8.563 10.405 569 HB3 HIS 75 HB1 HIS 75 73.925 -7.410 11.531 570 H1U RCY 76 H1U RCY 76 80.090 -4.197 1.711 571 H1S RCY 76 H1S RCY 76 80.139 -4.266 4.843 572 HB1 RCY 76 HB1 RCY 76 79.183 -5.326 7.702 573 HB2 RCY 76 HB2 RCY 76 78.239 -4.654 6.373 574 HA RCY 76 HA RCY 76 76.884 -6.601 6.211 575 HN1 RCY 76 HN1 RCY 76 76.991 -5.312 8.696 576 H GLU 77 HN GLU 77 76.563 -8.871 6.534 577 HA GLU 77 HA GLU 77 78.180 -10.574 8.114 578 HB2 GLU 77 HB2 GLU 77 76.800 -11.152 5.472 579 HB3 GLU 77 HB1 GLU 77 77.438 -12.383 6.564 580 HG2 GLU 77 HG2 GLU 77 75.894 -11.780 8.292 581 HG3 GLU 77 HG1 GLU 77 75.412 -10.313 7.440 582 H LEU 78 HN LEU 78 80.127 -11.675 7.684 583 HA LEU 78 HA LEU 78 82.293 -11.849 6.786 584 HG LEU 78 HG LEU 78 82.522 -13.831 5.523 585 HB2 LEU 78 HB2 LEU 78 80.440 -11.916 4.424 586 HB3 LEU 78 HB1 LEU 78 82.177 -11.831 4.132 587 HD11 LEU 78 HD11 LEU 78 79.514 -13.663 5.839 588 HD12 LEU 78 HD12 LEU 78 80.730 -13.621 7.115 589 HD13 LEU 78 HD13 LEU 78 80.445 -15.112 6.218 590 HD21 LEU 78 HD21 LEU 78 81.892 -13.945 3.034 591 HD22 LEU 78 HD22 LEU 78 80.280 -14.409 3.577 592 HD23 LEU 78 HD23 LEU 78 81.667 -15.424 3.968 593 H HIS 79 HN HIS 79 83.610 -10.617 4.716 594 HA HIS 79 HA HIS 79 82.897 -7.762 4.692 595 HD1 HIS 79 HD1 HIS 79 87.229 -6.979 5.501 596 HD2 HIS 79 HD2 HIS 79 85.700 -10.843 5.861 597 HE1 HIS 79 HE1 HIS 79 89.202 -8.551 5.283 598 HE2 HIS 79 HE2 HIS 79 88.285 -10.907 5.500 599 HB2 HIS 79 HB2 HIS 79 84.770 -6.947 5.869 600 HB3 HIS 79 HB1 HIS 79 84.222 -8.302 6.852 601 H GLU 80 HN GLU 80 85.254 -6.692 3.755 602 HA GLU 80 HA GLU 80 86.624 -6.571 1.846 603 HB2 GLU 80 HB2 GLU 80 86.895 -9.172 2.696 604 HB3 GLU 80 HB1 GLU 80 86.261 -9.408 1.068 605 HG2 GLU 80 HG2 GLU 80 88.033 -7.894 0.189 606 HG3 GLU 80 HG1 GLU 80 88.696 -7.761 1.818 607 H LEU 81 HN LEU 81 86.227 -8.174 -0.576 608 HA LEU 81 HA LEU 81 83.681 -6.927 -1.477 609 HG LEU 81 HG LEU 81 86.155 -5.767 -3.856 610 HB2 LEU 81 HB2 LEU 81 86.140 -7.968 -2.871 611 HB3 LEU 81 HB1 LEU 81 84.634 -7.791 -3.768 612 HD11 LEU 81 HD11 LEU 81 83.685 -4.885 -2.444 613 HD12 LEU 81 HD12 LEU 81 83.466 -5.906 -3.866 614 HD13 LEU 81 HD13 LEU 81 84.331 -4.376 -4.004 615 HD21 LEU 81 HD21 LEU 81 86.502 -4.446 -1.924 616 HD22 LEU 81 HD22 LEU 81 86.756 -6.096 -1.355 617 HD23 LEU 81 HD23 LEU 81 85.231 -5.275 -1.024 618 H ALA 82 HN ALA 82 84.088 -9.524 0.128 619 HA ALA 82 HA ALA 82 83.345 -11.710 -1.587 620 HB1 ALA 82 HB1 ALA 82 84.295 -12.184 0.580 621 HB2 ALA 82 HB2 ALA 82 82.644 -12.806 0.574 622 HB3 ALA 82 HB3 ALA 82 83.013 -11.287 1.393 623 H GLN 83 HN GLN 83 81.092 -11.746 0.879 624 HA GLN 83 HA GLN 83 78.758 -11.522 0.902 625 HB2 GLN 83 HB2 GLN 83 79.165 -9.421 -1.245 626 HB3 GLN 83 HB1 GLN 83 77.796 -9.577 -0.148 627 HG2 GLN 83 HG2 GLN 83 79.044 -8.865 1.713 628 HG3 GLN 83 HG1 GLN 83 80.585 -9.220 0.933 629 HE21 GLN 83 HE21 GLN 83 77.905 -6.886 1.037 630 HE22 GLN 83 HE22 GLN 83 78.721 -5.654 0.200 631 H TYR 84 HN TYR 84 77.377 -10.649 -1.723 632 HA TYR 84 HA TYR 84 77.143 -13.371 -2.785 633 HD1 TYR 84 HD1 TYR 84 74.791 -14.274 -2.808 634 HD2 TYR 84 HD2 TYR 84 75.334 -11.565 -6.097 635 HE1 TYR 84 HE1 TYR 84 73.699 -15.901 -4.328 636 HE2 TYR 84 HE2 TYR 84 74.242 -13.192 -7.617 637 HH TYR 84 HH TYR 84 73.978 -16.094 -7.319 638 HB2 TYR 84 HB2 TYR 84 75.208 -11.719 -2.531 639 HB3 TYR 84 HB1 TYR 84 75.875 -10.867 -3.924 640 H GLY 85 HN GLY 85 79.088 -10.650 -3.442 641 HA2 GLY 85 HA2 GLY 85 80.819 -11.673 -5.248 642 HA3 GLY 85 HA1 GLY 85 79.453 -11.290 -6.295 643 H ILE 86 HN ILE 86 78.946 -8.990 -4.225 644 HA ILE 86 HA ILE 86 81.160 -7.172 -4.544 645 HB ILE 86 HB ILE 86 80.474 -7.215 -6.898 646 HG12 ILE 86 HG12 ILE 86 79.357 -4.650 -5.772 647 HG13 ILE 86 HG11 ILE 86 81.074 -5.027 -5.617 648 HG21 ILE 86 HG21 ILE 86 78.029 -7.833 -6.138 649 HG22 ILE 86 HG22 ILE 86 78.278 -6.919 -7.626 650 HG23 ILE 86 HG23 ILE 86 77.794 -6.085 -6.149 651 HD11 ILE 86 HD11 ILE 86 79.575 -5.044 -8.251 652 HD12 ILE 86 HD12 ILE 86 81.316 -5.204 -8.020 653 HD13 ILE 86 HD13 ILE 86 80.516 -3.673 -7.664 654 H1U RCY 87 H1U RCY 87 77.537 0.156 0.125 655 H1S RCY 87 H1S RCY 87 75.619 -3.333 -0.922 656 HB1 RCY 87 HB1 RCY 87 75.046 -6.161 -3.211 657 HB2 RCY 87 HB2 RCY 87 75.856 -5.511 -4.635 658 HA RCY 87 HA RCY 87 77.616 -4.798 -2.664 659 HN1 RCY 87 HN1 RCY 87 77.574 -6.962 -4.634 Start of MODEL 87 1 HA MET 1 HA MET 1 73.592 -9.061 20.420 2 HB2 MET 1 HB2 MET 1 74.028 -10.792 22.017 3 HB3 MET 1 HB1 MET 1 73.071 -9.983 23.257 4 HG2 MET 1 HG2 MET 1 71.928 -11.946 22.099 5 HG3 MET 1 HG1 MET 1 71.022 -10.433 22.102 6 HE1 MET 1 HE1 MET 1 74.232 -11.190 19.654 7 HE2 MET 1 HE2 MET 1 73.354 -12.402 18.725 8 HE3 MET 1 HE3 MET 1 73.523 -12.590 20.469 9 H ASN 2 HN ASN 2 72.577 -6.767 22.711 10 HA ASN 2 HA ASN 2 69.744 -6.971 22.552 11 HB2 ASN 2 HB2 ASN 2 71.419 -4.450 22.773 12 HB3 ASN 2 HB1 ASN 2 69.717 -4.609 23.211 13 HD21 ASN 2 HD21 ASN 2 69.819 -7.162 24.510 14 HD22 ASN 2 HD22 ASN 2 70.746 -7.006 25.923 15 H LEU 3 HN LEU 3 70.423 -3.924 21.327 16 HA LEU 3 HA LEU 3 69.995 -2.917 19.255 17 HG LEU 3 HG LEU 3 70.406 -2.892 16.983 18 HB2 LEU 3 HB2 LEU 3 71.733 -4.964 18.717 19 HB3 LEU 3 HB1 LEU 3 70.368 -5.415 17.698 20 HD11 LEU 3 HD11 LEU 3 72.047 -2.153 18.640 21 HD12 LEU 3 HD12 LEU 3 72.722 -1.968 17.021 22 HD13 LEU 3 HD13 LEU 3 73.219 -3.323 18.035 23 HD21 LEU 3 HD21 LEU 3 70.867 -4.593 15.370 24 HD22 LEU 3 HD22 LEU 3 72.397 -5.010 16.141 25 HD23 LEU 3 HD23 LEU 3 72.232 -3.479 15.281 26 H GLU 4 HN GLU 4 67.816 -2.499 19.216 27 HA GLU 4 HA GLU 4 65.905 -4.718 18.834 28 HB2 GLU 4 HB2 GLU 4 64.260 -2.674 18.941 29 HB3 GLU 4 HB1 GLU 4 65.067 -3.213 20.413 30 HG2 GLU 4 HG2 GLU 4 66.352 -1.130 18.659 31 HG3 GLU 4 HG1 GLU 4 65.112 -0.670 19.827 32 HA PRO 5 HA PRO 5 66.139 -4.276 14.350 33 HB2 PRO 5 HB2 PRO 5 63.309 -5.230 14.652 34 HB3 PRO 5 HB1 PRO 5 64.572 -5.794 13.540 35 HG2 PRO 5 HG2 PRO 5 63.926 -7.163 15.737 36 HG3 PRO 5 HG1 PRO 5 65.592 -7.084 15.143 37 HD2 PRO 5 HD2 PRO 5 64.395 -5.791 17.535 38 HD3 PRO 5 HD1 PRO 5 66.088 -6.226 17.216 39 HA PRO 6 HA PRO 6 64.073 -0.401 13.668 40 HB2 PRO 6 HB2 PRO 6 63.802 -0.409 10.949 41 HB3 PRO 6 HB1 PRO 6 65.364 -0.188 11.762 42 HG2 PRO 6 HG2 PRO 6 64.225 -2.631 10.500 43 HG3 PRO 6 HG1 PRO 6 65.885 -2.012 10.470 44 HD2 PRO 6 HD2 PRO 6 65.082 -4.055 12.116 45 HD3 PRO 6 HD1 PRO 6 66.417 -2.951 12.516 46 H LYS 7 HN LYS 7 62.019 0.560 12.926 47 HA LYS 7 HA LYS 7 59.774 -1.250 13.273 48 HB2 LYS 7 HB2 LYS 7 60.074 1.696 12.744 49 HB3 LYS 7 HB1 LYS 7 58.489 0.932 12.612 50 HG2 LYS 7 HG2 LYS 7 58.943 1.870 14.892 51 HG3 LYS 7 HG1 LYS 7 58.627 0.135 14.906 52 HD2 LYS 7 HD2 LYS 7 60.952 -0.382 15.127 53 HD3 LYS 7 HD1 LYS 7 61.424 1.280 14.770 54 HE2 LYS 7 HE2 LYS 7 60.609 2.075 16.854 55 HE3 LYS 7 HE1 LYS 7 59.692 0.598 17.149 56 HZ1 LYS 7 HZ1 LYS 7 62.158 -0.375 16.882 57 HZ2 LYS 7 HZ2 LYS 7 61.479 0.070 18.375 58 HZ3 LYS 7 HZ3 LYS 7 62.511 1.142 17.554 59 H ALA 8 HN ALA 8 59.927 1.159 10.714 60 HA ALA 8 HA ALA 8 59.712 0.934 8.376 61 HB1 ALA 8 HB1 ALA 8 59.622 -2.051 8.501 62 HB2 ALA 8 HB2 ALA 8 61.134 -1.266 8.956 63 HB3 ALA 8 HB3 ALA 8 60.449 -0.998 7.353 64 H GLU 9 HN GLU 9 57.708 -0.546 10.714 65 HA GLU 9 HA GLU 9 55.427 -1.108 10.709 66 HB2 GLU 9 HB2 GLU 9 55.577 1.066 8.611 67 HB3 GLU 9 HB1 GLU 9 54.048 0.367 9.144 68 HG2 GLU 9 HG2 GLU 9 54.470 1.049 11.434 69 HG3 GLU 9 HG1 GLU 9 56.088 1.608 11.010 70 H1U RCY 10 H1U RCY 10 56.755 -7.665 4.227 71 H1S RCY 10 H1S RCY 10 55.088 -4.137 7.066 72 HB1 RCY 10 HB1 RCY 10 53.113 -2.523 5.188 73 HB2 RCY 10 HB2 RCY 10 52.885 -1.546 6.637 74 HA RCY 10 HA RCY 10 55.341 -3.216 6.577 75 HN1 RCY 10 HN1 RCY 10 55.153 -0.343 7.323 76 H ARG 11 HN ARG 11 54.577 -3.108 3.980 77 HA ARG 11 HA ARG 11 56.768 -1.847 2.671 78 HE ARG 11 HE ARG 11 56.610 -6.463 1.621 79 HB2 ARG 11 HB2 ARG 11 54.129 -2.543 1.363 80 HB3 ARG 11 HB1 ARG 11 55.726 -2.503 0.615 81 HG2 ARG 11 HG2 ARG 11 54.783 -4.438 2.750 82 HG3 ARG 11 HG1 ARG 11 55.126 -4.821 1.063 83 HD2 ARG 11 HD2 ARG 11 57.492 -3.869 1.554 84 HD3 ARG 11 HD1 ARG 11 57.059 -4.074 3.251 85 HH11 ARG 11 HH21 ARG 11 58.782 -4.592 3.535 86 HH12 ARG 11 HH22 ARG 11 59.792 -5.938 3.945 87 HH21 ARG 11 HH11 ARG 11 57.916 -8.232 2.145 88 HH22 ARG 11 HH12 ARG 11 59.301 -7.999 3.158 89 H SER 12 HN SER 12 56.953 0.357 2.996 90 HA SER 12 HA SER 12 54.578 2.073 2.468 91 HG SER 12 HG SER 12 56.304 4.749 4.009 92 HB2 SER 12 HB2 SER 12 55.925 2.463 4.537 93 HB3 SER 12 HB1 SER 12 57.319 2.832 3.526 94 H ALA 13 HN ALA 13 57.189 3.973 1.962 95 HA ALA 13 HA ALA 13 57.973 5.017 0.005 96 HB1 ALA 13 HB1 ALA 13 59.352 2.942 0.060 97 HB2 ALA 13 HB2 ALA 13 59.034 3.489 -1.586 98 HB3 ALA 13 HB3 ALA 13 58.128 2.131 -0.918 99 H THR 14 HN THR 14 57.586 3.596 -2.676 100 HA THR 14 HA THR 14 54.864 4.687 -3.164 101 HB THR 14 HB THR 14 56.865 3.735 -5.225 102 HG1 THR 14 HG1 THR 14 56.950 5.869 -3.573 103 HG21 THR 14 HG21 THR 14 54.657 5.798 -5.404 104 HG22 THR 14 HG22 THR 14 54.444 4.106 -5.853 105 HG23 THR 14 HG23 THR 14 55.592 5.114 -6.733 106 H ARG 15 HN ARG 15 56.702 1.891 -4.470 107 HA ARG 15 HA ARG 15 54.620 0.021 -3.670 108 HE ARG 15 HE ARG 15 51.296 1.616 -5.707 109 HB2 ARG 15 HB2 ARG 15 53.777 1.332 -5.780 110 HB3 ARG 15 HB1 ARG 15 54.927 0.319 -6.651 111 HG2 ARG 15 HG2 ARG 15 53.110 -1.090 -6.745 112 HG3 ARG 15 HG1 ARG 15 53.738 -1.589 -5.174 113 HD2 ARG 15 HD2 ARG 15 51.378 -1.165 -4.903 114 HD3 ARG 15 HD1 ARG 15 52.245 0.158 -4.122 115 HH11 ARG 15 HH21 ARG 15 51.257 -1.659 -6.786 116 HH12 ARG 15 HH22 ARG 15 50.353 -1.314 -8.223 117 HH21 ARG 15 HH11 ARG 15 50.116 2.084 -7.578 118 HH22 ARG 15 HH12 ARG 15 49.707 0.805 -8.671 119 H VAL 16 HN VAL 16 56.228 -1.344 -2.894 120 HA VAL 16 HA VAL 16 58.117 -2.755 -2.942 121 HB VAL 16 HB VAL 16 57.195 -3.333 -5.763 122 HG11 VAL 16 HG11 VAL 16 59.273 -4.412 -4.684 123 HG12 VAL 16 HG12 VAL 16 58.066 -5.504 -5.365 124 HG13 VAL 16 HG13 VAL 16 58.137 -5.244 -3.622 125 HG21 VAL 16 HG21 VAL 16 55.167 -3.315 -4.497 126 HG22 VAL 16 HG22 VAL 16 55.942 -4.083 -3.112 127 HG23 VAL 16 HG23 VAL 16 55.655 -5.007 -4.586 128 H MET 17 HN MET 17 58.893 -3.094 -6.123 129 HA MET 17 HA MET 17 61.340 -1.581 -5.857 130 HB2 MET 17 HB2 MET 17 61.795 -2.297 -8.146 131 HB3 MET 17 HB1 MET 17 61.129 -3.653 -7.236 132 HG2 MET 17 HG2 MET 17 58.825 -2.783 -8.139 133 HG3 MET 17 HG1 MET 17 59.814 -1.973 -9.354 134 HE1 MET 17 HE1 MET 17 61.927 -4.890 -10.781 135 HE2 MET 17 HE2 MET 17 62.283 -4.424 -9.119 136 HE3 MET 17 HE3 MET 17 61.885 -3.187 -10.308 137 H GLY 18 HN GLY 18 59.029 0.098 -5.520 138 HA2 GLY 18 HA2 GLY 18 58.131 2.129 -6.287 139 HA3 GLY 18 HA1 GLY 18 59.742 2.386 -6.959 140 H GLY 19 HN GLY 19 56.501 1.214 -7.664 141 HA2 GLY 19 HA2 GLY 19 55.471 0.691 -9.718 142 HA3 GLY 19 HA1 GLY 19 56.370 2.095 -10.295 143 HA PRO 20 HA PRO 20 57.612 -1.647 -12.838 144 HB2 PRO 20 HB2 PRO 20 58.248 0.699 -14.590 145 HB3 PRO 20 HB1 PRO 20 57.501 -0.855 -15.014 146 HG2 PRO 20 HG2 PRO 20 56.055 1.368 -14.786 147 HG3 PRO 20 HG1 PRO 20 55.423 -0.207 -14.275 148 HD2 PRO 20 HD2 PRO 20 56.350 2.079 -12.599 149 HD3 PRO 20 HD1 PRO 20 55.134 0.834 -12.239 150 H1U RCY 21 H1U RCY 21 64.938 0.653 -8.476 151 H1S RCY 21 H1S RCY 21 65.418 -0.764 -12.626 152 HB1 RCY 21 HB1 RCY 21 61.966 -2.639 -14.725 153 HB2 RCY 21 HB2 RCY 21 62.133 -3.279 -13.091 154 HA RCY 21 HA RCY 21 61.911 -1.096 -12.122 155 HN1 RCY 21 HN1 RCY 21 59.840 -1.886 -14.022 156 H THR 22 HN THR 22 62.219 1.135 -12.246 157 HA THR 22 HA THR 22 63.482 2.099 -14.756 158 HB THR 22 HB THR 22 61.210 3.486 -13.305 159 HG1 THR 22 HG1 THR 22 61.385 2.840 -16.038 160 HG21 THR 22 HG21 THR 22 61.533 5.204 -15.148 161 HG22 THR 22 HG22 THR 22 63.082 4.432 -15.485 162 HG23 THR 22 HG23 THR 22 62.793 5.180 -13.915 163 HA PRO 23 HA PRO 23 66.137 3.542 -11.410 164 HB2 PRO 23 HB2 PRO 23 68.162 4.521 -12.943 165 HB3 PRO 23 HB1 PRO 23 67.913 2.783 -12.684 166 HG2 PRO 23 HG2 PRO 23 67.191 4.459 -15.032 167 HG3 PRO 23 HG1 PRO 23 67.828 2.808 -14.976 168 HD2 PRO 23 HD2 PRO 23 65.163 3.408 -15.379 169 HD3 PRO 23 HD1 PRO 23 65.739 1.873 -14.695 170 H ARG 24 HN ARG 24 65.942 5.456 -10.319 171 HA ARG 24 HA ARG 24 65.025 7.845 -11.800 172 HE ARG 24 HE ARG 24 62.144 7.888 -9.295 173 HB2 ARG 24 HB2 ARG 24 63.952 7.089 -9.636 174 HB3 ARG 24 HB1 ARG 24 65.447 7.524 -8.815 175 HG2 ARG 24 HG2 ARG 24 64.123 9.463 -8.592 176 HG3 ARG 24 HG1 ARG 24 65.159 9.834 -9.971 177 HD2 ARG 24 HD2 ARG 24 62.700 10.359 -10.313 178 HD3 ARG 24 HD1 ARG 24 63.412 9.302 -11.532 179 HH11 ARG 24 HH21 ARG 24 61.862 9.302 -12.427 180 HH12 ARG 24 HH22 ARG 24 60.491 8.345 -12.881 181 HH21 ARG 24 HH11 ARG 24 60.357 6.630 -9.870 182 HH22 ARG 24 HH12 ARG 24 59.639 6.832 -11.434 183 H LYS 25 HN LYS 25 67.018 8.130 -8.925 184 HA LYS 25 HA LYS 25 68.946 9.447 -8.609 185 HB2 LYS 25 HB2 LYS 25 70.013 8.210 -11.135 186 HB3 LYS 25 HB1 LYS 25 70.839 8.504 -9.605 187 HG2 LYS 25 HG2 LYS 25 68.683 6.429 -10.099 188 HG3 LYS 25 HG1 LYS 25 70.401 6.108 -9.857 189 HD2 LYS 25 HD2 LYS 25 70.209 7.223 -7.603 190 HD3 LYS 25 HD1 LYS 25 68.463 7.287 -7.848 191 HE2 LYS 25 HE2 LYS 25 68.496 4.792 -8.191 192 HE3 LYS 25 HE1 LYS 25 70.195 4.804 -7.720 193 HZ1 LYS 25 HZ1 LYS 25 69.698 5.245 -5.574 194 HZ2 LYS 25 HZ2 LYS 25 68.245 4.465 -5.984 195 HZ3 LYS 25 HZ3 LYS 25 68.321 6.162 -5.948 196 H GLY 26 HN GLY 26 70.724 10.216 -10.905 197 HA2 GLY 26 HA2 GLY 26 69.718 11.618 -12.991 198 HA3 GLY 26 HA1 GLY 26 69.241 12.653 -11.645 199 HA PRO 27 HA PRO 27 73.119 14.610 -10.996 200 HB2 PRO 27 HB2 PRO 27 73.843 12.720 -8.786 201 HB3 PRO 27 HB1 PRO 27 73.877 14.495 -8.806 202 HG2 PRO 27 HG2 PRO 27 71.931 13.153 -7.579 203 HG3 PRO 27 HG1 PRO 27 71.618 14.675 -8.430 204 HD2 PRO 27 HD2 PRO 27 70.890 11.898 -9.221 205 HD3 PRO 27 HD1 PRO 27 70.099 13.435 -9.635 206 HA PRO 28 HA PRO 28 76.072 12.498 -13.583 207 HB2 PRO 28 HB2 PRO 28 78.046 13.785 -11.720 208 HB3 PRO 28 HB1 PRO 28 78.045 13.731 -13.494 209 HG2 PRO 28 HG2 PRO 28 77.255 15.899 -12.132 210 HG3 PRO 28 HG1 PRO 28 76.530 15.436 -13.679 211 HD2 PRO 28 HD2 PRO 28 75.349 15.344 -10.974 212 HD3 PRO 28 HD1 PRO 28 74.540 15.326 -12.555 213 H LYS 29 HN LYS 29 77.701 10.772 -13.424 214 HA LYS 29 HA LYS 29 77.249 9.047 -11.111 215 HB2 LYS 29 HB2 LYS 29 79.160 8.692 -13.441 216 HB3 LYS 29 HB1 LYS 29 78.661 7.441 -12.304 217 HG2 LYS 29 HG2 LYS 29 76.858 7.003 -13.578 218 HG3 LYS 29 HG1 LYS 29 76.296 8.658 -13.343 219 HD2 LYS 29 HD2 LYS 29 77.587 9.426 -15.251 220 HD3 LYS 29 HD1 LYS 29 78.326 7.836 -15.438 221 HE2 LYS 29 HE2 LYS 29 76.240 6.841 -16.069 222 HE3 LYS 29 HE1 LYS 29 75.337 8.278 -15.592 223 HZ1 LYS 29 HZ1 LYS 29 75.580 8.278 -17.951 224 HZ2 LYS 29 HZ2 LYS 29 77.259 8.044 -17.840 225 HZ3 LYS 29 HZ3 LYS 29 76.568 9.508 -17.328 226 H1U RCY 30 H1U RCY 30 77.596 10.497 -3.810 227 H1S RCY 30 H1S RCY 30 81.589 9.280 -5.954 228 HB1 RCY 30 HB1 RCY 30 80.538 9.484 -8.594 229 HB2 RCY 30 HB2 RCY 30 79.712 10.796 -7.759 230 HA RCY 30 HA RCY 30 80.503 12.395 -9.429 231 HN1 RCY 30 HN1 RCY 30 78.613 11.597 -10.580 232 H LYS 31 HN LYS 31 82.275 9.505 -9.309 233 HA LYS 31 HA LYS 31 83.778 10.155 -11.807 234 HB2 LYS 31 HB2 LYS 31 85.000 9.675 -9.068 235 HB3 LYS 31 HB1 LYS 31 85.908 9.839 -10.571 236 HG2 LYS 31 HG2 LYS 31 85.149 12.114 -10.863 237 HG3 LYS 31 HG1 LYS 31 84.028 11.966 -9.508 238 HD2 LYS 31 HD2 LYS 31 85.998 11.544 -8.007 239 HD3 LYS 31 HD1 LYS 31 87.056 11.893 -9.375 240 HE2 LYS 31 HE2 LYS 31 85.146 13.762 -7.968 241 HE3 LYS 31 HE1 LYS 31 86.880 13.957 -8.218 242 HZ1 LYS 31 HZ1 LYS 31 86.428 14.069 -10.627 243 HZ2 LYS 31 HZ2 LYS 31 85.711 15.340 -9.757 244 HZ3 LYS 31 HZ3 LYS 31 84.764 14.037 -10.298 245 H GLN 32 HN GLN 32 85.514 8.258 -12.075 246 HA GLN 32 HA GLN 32 84.053 5.835 -12.417 247 HB2 GLN 32 HB2 GLN 32 87.062 6.165 -12.177 248 HB3 GLN 32 HB1 GLN 32 86.217 4.811 -12.928 249 HG2 GLN 32 HG2 GLN 32 85.430 6.148 -14.721 250 HG3 GLN 32 HG1 GLN 32 85.799 7.649 -13.871 251 HE21 GLN 32 HE21 GLN 32 87.929 8.496 -14.062 252 HE22 GLN 32 HE22 GLN 32 89.155 7.744 -14.965 253 H ARG 33 HN ARG 33 86.851 4.812 -10.929 254 HA ARG 33 HA ARG 33 85.876 4.800 -8.172 255 HE ARG 33 HE ARG 33 84.044 0.596 -9.535 256 HB2 ARG 33 HB2 ARG 33 85.683 2.368 -9.942 257 HB3 ARG 33 HB1 ARG 33 86.009 2.171 -8.221 258 HG2 ARG 33 HG2 ARG 33 83.954 3.933 -8.096 259 HG3 ARG 33 HG1 ARG 33 83.530 3.085 -9.584 260 HD2 ARG 33 HD2 ARG 33 84.217 1.672 -6.993 261 HD3 ARG 33 HD1 ARG 33 82.567 2.050 -7.490 262 HH11 ARG 33 HH21 ARG 33 82.209 0.414 -6.622 263 HH12 ARG 33 HH22 ARG 33 81.669 -1.207 -6.907 264 HH21 ARG 33 HH11 ARG 33 83.349 -1.520 -9.924 265 HH22 ARG 33 HH12 ARG 33 82.315 -2.302 -8.776 266 H GLN 34 HN GLN 34 88.118 5.916 -8.582 267 HA GLN 34 HA GLN 34 90.449 4.346 -9.054 268 HB2 GLN 34 HB2 GLN 34 91.580 6.192 -7.656 269 HB3 GLN 34 HB1 GLN 34 90.719 6.709 -9.106 270 HG2 GLN 34 HG2 GLN 34 88.823 7.431 -7.835 271 HG3 GLN 34 HG1 GLN 34 89.423 6.647 -6.373 272 HE21 GLN 34 HE21 GLN 34 88.821 9.447 -6.403 273 HE22 GLN 34 HE22 GLN 34 90.274 10.309 -6.231 274 H THR 35 HN THR 35 92.024 3.589 -7.430 275 HA THR 35 HA THR 35 92.473 2.184 -5.594 276 HB THR 35 HB THR 35 92.273 3.269 -3.524 277 HG1 THR 35 HG1 THR 35 90.153 4.893 -4.348 278 HG21 THR 35 HG21 THR 35 91.830 5.602 -5.391 279 HG22 THR 35 HG22 THR 35 93.337 4.687 -5.375 280 HG23 THR 35 HG23 THR 35 92.815 5.549 -3.929 281 H ARG 36 HN ARG 36 90.552 0.992 -7.017 282 HA ARG 36 HA ARG 36 87.978 0.616 -6.042 283 HE ARG 36 HE ARG 36 89.805 -0.146 -10.914 284 HB2 ARG 36 HB2 ARG 36 89.785 -1.657 -6.909 285 HB3 ARG 36 HB1 ARG 36 88.026 -1.591 -7.022 286 HG2 ARG 36 HG2 ARG 36 88.366 0.494 -8.490 287 HG3 ARG 36 HG1 ARG 36 90.057 0.001 -8.594 288 HD2 ARG 36 HD2 ARG 36 89.195 -2.291 -9.334 289 HD3 ARG 36 HD1 ARG 36 87.619 -1.524 -9.529 290 HH11 ARG 36 HH21 ARG 36 87.334 -2.549 -10.979 291 HH12 ARG 36 HH22 ARG 36 87.186 -2.541 -12.705 292 HH21 ARG 36 HH11 ARG 36 89.627 -0.122 -13.167 293 HH22 ARG 36 HH12 ARG 36 88.484 -1.167 -13.944 294 H GLN 37 HN GLN 37 90.962 -0.234 -4.500 295 HA GLN 37 HA GLN 37 89.652 -2.068 -2.592 296 HB2 GLN 37 HB2 GLN 37 92.481 -0.992 -2.494 297 HB3 GLN 37 HB1 GLN 37 91.853 -2.440 -1.706 298 HG2 GLN 37 HG2 GLN 37 91.294 -3.296 -4.053 299 HG3 GLN 37 HG1 GLN 37 92.294 -1.976 -4.661 300 HE21 GLN 37 HE21 GLN 37 93.056 -4.697 -5.088 301 HE22 GLN 37 HE22 GLN 37 94.457 -5.014 -4.183 302 H1U RCY 38 H1U RCY 38 84.901 2.329 2.201 303 H1S RCY 38 H1S RCY 38 87.705 5.166 0.287 304 HB1 RCY 38 HB1 RCY 38 88.622 2.406 0.289 305 HB2 RCY 38 HB2 RCY 38 88.430 1.776 -1.346 306 HA RCY 38 HA RCY 38 91.100 2.862 -0.972 307 HN1 RCY 38 HN1 RCY 38 91.212 1.142 -2.564 308 H LYS 39 HN LYS 39 92.772 1.270 0.077 309 HA LYS 39 HA LYS 39 91.828 0.700 2.860 310 HB2 LYS 39 HB2 LYS 39 93.701 -0.983 1.165 311 HB3 LYS 39 HB1 LYS 39 93.379 -1.256 2.877 312 HG2 LYS 39 HG2 LYS 39 91.170 -1.164 0.813 313 HG3 LYS 39 HG1 LYS 39 91.998 -2.661 1.243 314 HD2 LYS 39 HD2 LYS 39 91.441 -1.990 3.698 315 HD3 LYS 39 HD1 LYS 39 90.251 -0.914 2.965 316 HE2 LYS 39 HE2 LYS 39 89.098 -2.964 3.396 317 HE3 LYS 39 HE1 LYS 39 89.415 -2.943 1.662 318 HZ1 LYS 39 HZ1 LYS 39 90.202 -4.994 2.142 319 HZ2 LYS 39 HZ2 LYS 39 90.590 -4.606 3.750 320 HZ3 LYS 39 HZ3 LYS 39 91.616 -4.121 2.485 321 H SER 40 HN SER 40 93.583 2.747 1.158 322 HA SER 40 HA SER 40 95.977 2.694 2.946 323 HG SER 40 HG SER 40 96.181 1.757 0.601 324 HB2 SER 40 HB2 SER 40 95.434 4.027 0.286 325 HB3 SER 40 HB1 SER 40 96.837 4.422 1.274 326 H LYS 41 HN LYS 41 93.011 4.321 2.393 327 HA LYS 41 HA LYS 41 93.918 6.834 3.645 328 HB2 LYS 41 HB2 LYS 41 91.257 5.888 2.559 329 HB3 LYS 41 HB1 LYS 41 91.438 7.421 3.409 330 HG2 LYS 41 HG2 LYS 41 91.793 8.144 1.238 331 HG3 LYS 41 HG1 LYS 41 93.448 7.731 1.685 332 HD2 LYS 41 HD2 LYS 41 93.256 6.580 -0.323 333 HD3 LYS 41 HD1 LYS 41 92.745 5.332 0.814 334 HE2 LYS 41 HE2 LYS 41 91.166 5.480 -1.069 335 HE3 LYS 41 HE1 LYS 41 90.382 5.963 0.436 336 HZ1 LYS 41 HZ1 LYS 41 90.516 8.209 -0.133 337 HZ2 LYS 41 HZ2 LYS 41 90.039 7.444 -1.573 338 HZ3 LYS 41 HZ3 LYS 41 91.652 7.936 -1.363 339 HA PRO 42 HA PRO 42 92.787 5.261 7.673 340 HB2 PRO 42 HB2 PRO 42 93.032 7.553 9.109 341 HB3 PRO 42 HB1 PRO 42 94.440 6.684 8.466 342 HG2 PRO 42 HG2 PRO 42 93.082 9.111 7.402 343 HG3 PRO 42 HG1 PRO 42 94.811 8.738 7.506 344 HD2 PRO 42 HD2 PRO 42 93.332 8.469 5.194 345 HD3 PRO 42 HD1 PRO 42 94.802 7.531 5.538 346 HA PRO 43 HA PRO 43 88.497 6.278 8.248 347 HB2 PRO 43 HB2 PRO 43 88.141 5.710 10.887 348 HB3 PRO 43 HB1 PRO 43 88.425 4.449 9.670 349 HG2 PRO 43 HG2 PRO 43 90.335 5.664 11.604 350 HG3 PRO 43 HG1 PRO 43 90.162 3.976 11.096 351 HD2 PRO 43 HD2 PRO 43 92.096 5.662 10.103 352 HD3 PRO 43 HD1 PRO 43 91.445 4.276 9.200 353 H LYS 44 HN LYS 44 86.994 7.742 9.483 354 HA LYS 44 HA LYS 44 88.304 9.861 11.082 355 HB2 LYS 44 HB2 LYS 44 88.492 10.631 8.734 356 HB3 LYS 44 HB1 LYS 44 86.747 10.466 8.548 357 HG2 LYS 44 HG2 LYS 44 86.289 12.259 9.975 358 HG3 LYS 44 HG1 LYS 44 87.847 12.135 10.792 359 HD2 LYS 44 HD2 LYS 44 87.823 12.777 7.869 360 HD3 LYS 44 HD1 LYS 44 87.403 14.053 9.012 361 HE2 LYS 44 HE2 LYS 44 89.886 12.366 9.351 362 HE3 LYS 44 HE1 LYS 44 89.887 13.842 8.385 363 HZ1 LYS 44 HZ1 LYS 44 90.544 14.178 10.731 364 HZ2 LYS 44 HZ2 LYS 44 88.984 13.701 11.208 365 HZ3 LYS 44 HZ3 LYS 44 89.197 15.102 10.271 366 H LYS 45 HN LYS 45 85.301 10.603 9.557 367 HA LYS 45 HA LYS 45 83.842 11.006 11.898 368 HB2 LYS 45 HB2 LYS 45 83.038 10.283 9.092 369 HB3 LYS 45 HB1 LYS 45 81.805 10.358 10.350 370 HG2 LYS 45 HG2 LYS 45 83.754 12.625 10.094 371 HG3 LYS 45 HG1 LYS 45 82.407 12.523 8.959 372 HD2 LYS 45 HD2 LYS 45 81.859 12.199 11.889 373 HD3 LYS 45 HD1 LYS 45 82.120 13.820 11.244 374 HE2 LYS 45 HE2 LYS 45 80.247 13.702 9.837 375 HE3 LYS 45 HE1 LYS 45 80.211 11.939 9.876 376 HZ1 LYS 45 HZ1 LYS 45 78.453 12.804 11.235 377 HZ2 LYS 45 HZ2 LYS 45 79.539 13.771 12.113 378 HZ3 LYS 45 HZ3 LYS 45 79.610 12.079 12.241 379 H GLY 46 HN GLY 46 83.515 8.081 9.848 380 HA2 GLY 46 HA2 GLY 46 81.962 6.543 11.581 381 HA3 GLY 46 HA1 GLY 46 83.156 5.844 10.486 382 H VAL 47 HN VAL 47 82.469 6.683 13.776 383 HA VAL 47 HA VAL 47 85.062 6.637 14.909 384 HB VAL 47 HB VAL 47 83.789 5.613 16.942 385 HG11 VAL 47 HG11 VAL 47 82.682 7.807 17.367 386 HG12 VAL 47 HG12 VAL 47 82.954 8.242 15.680 387 HG13 VAL 47 HG13 VAL 47 84.327 7.992 16.758 388 HG21 VAL 47 HG21 VAL 47 81.378 5.679 16.805 389 HG22 VAL 47 HG22 VAL 47 81.954 4.705 15.452 390 HG23 VAL 47 HG23 VAL 47 81.438 6.370 15.183 391 H GLN 48 HN GLN 48 82.863 3.938 14.139 392 HA GLN 48 HA GLN 48 85.045 2.139 13.625 393 HB2 GLN 48 HB2 GLN 48 85.013 2.363 16.206 394 HB3 GLN 48 HB1 GLN 48 83.514 1.438 16.133 395 HG2 GLN 48 HG2 GLN 48 86.130 0.536 14.897 396 HG3 GLN 48 HG1 GLN 48 85.542 0.003 16.472 397 HE21 GLN 48 HE21 GLN 48 83.594 -1.361 16.516 398 HE22 GLN 48 HE22 GLN 48 83.061 -2.162 15.118 399 H GLY 49 HN GLY 49 83.776 1.681 11.770 400 HA2 GLY 49 HA2 GLY 49 82.388 -0.056 10.801 401 HA3 GLY 49 HA1 GLY 49 81.469 -0.119 12.305 402 H1U RCY 50 H1U RCY 50 83.217 -0.921 4.078 403 H1S RCY 50 H1S RCY 50 81.382 2.849 6.525 404 HB1 RCY 50 HB1 RCY 50 81.465 4.097 8.709 405 HB2 RCY 50 HB2 RCY 50 79.792 4.633 8.556 406 HA RCY 50 HA RCY 50 80.487 4.754 10.901 407 HN1 RCY 50 HN1 RCY 50 82.087 3.075 11.395 408 H GLY 51 HN GLY 51 79.412 2.425 12.453 409 HA2 GLY 51 HA2 GLY 51 76.637 2.248 11.403 410 HA3 GLY 51 HA1 GLY 51 77.306 1.253 12.696 411 H ASP 52 HN ASP 52 74.921 2.336 13.267 412 HA ASP 52 HA ASP 52 73.776 3.773 14.729 413 HB2 ASP 52 HB2 ASP 52 75.523 2.619 16.216 414 HB3 ASP 52 HB1 ASP 52 76.453 4.113 16.090 415 H ASP 53 HN ASP 53 74.594 5.068 12.397 416 HA ASP 53 HA ASP 53 75.774 7.654 13.280 417 HB2 ASP 53 HB2 ASP 53 76.616 6.527 11.197 418 HB3 ASP 53 HB1 ASP 53 75.019 6.758 10.483 419 H ILE 54 HN ILE 54 74.024 8.414 10.654 420 HA ILE 54 HA ILE 54 71.659 9.260 12.286 421 HB ILE 54 HB ILE 54 72.852 10.552 9.815 422 HG12 ILE 54 HG12 ILE 54 72.793 11.558 12.674 423 HG13 ILE 54 HG11 ILE 54 74.183 10.737 11.964 424 HG21 ILE 54 HG21 ILE 54 71.260 12.429 10.627 425 HG22 ILE 54 HG22 ILE 54 70.457 11.157 11.548 426 HG23 ILE 54 HG23 ILE 54 70.542 11.052 9.790 427 HD11 ILE 54 HD11 ILE 54 72.921 13.312 10.980 428 HD12 ILE 54 HD12 ILE 54 74.232 12.463 10.161 429 HD13 ILE 54 HD13 ILE 54 74.492 13.149 11.765 430 HA PRO 55 HA PRO 55 69.925 6.463 9.106 431 HB2 PRO 55 HB2 PRO 55 68.003 5.341 10.655 432 HB3 PRO 55 HB1 PRO 55 69.700 4.828 10.729 433 HG2 PRO 55 HG2 PRO 55 68.167 6.553 12.593 434 HG3 PRO 55 HG1 PRO 55 69.449 5.381 12.931 435 HD2 PRO 55 HD2 PRO 55 69.796 8.156 12.796 436 HD3 PRO 55 HD1 PRO 55 71.097 6.952 12.687 437 H GLY 56 HN GLY 56 68.901 7.971 7.749 438 HA2 GLY 56 HA2 GLY 56 66.090 8.320 7.948 439 HA3 GLY 56 HA1 GLY 56 66.853 9.786 8.564 440 H MET 57 HN MET 57 68.824 8.289 6.275 441 HA MET 57 HA MET 57 69.359 8.821 4.056 442 HB2 MET 57 HB2 MET 57 66.843 8.158 3.846 443 HB3 MET 57 HB1 MET 57 66.564 9.892 3.688 444 HG2 MET 57 HG2 MET 57 68.316 9.904 1.855 445 HG3 MET 57 HG1 MET 57 68.293 8.142 1.924 446 HE1 MET 57 HE1 MET 57 66.435 11.315 1.688 447 HE2 MET 57 HE2 MET 57 65.092 11.068 0.575 448 HE3 MET 57 HE3 MET 57 66.743 11.099 -0.040 449 H GLU 58 HN GLU 58 70.620 10.561 5.240 450 HA GLU 58 HA GLU 58 70.380 13.056 3.897 451 HB2 GLU 58 HB2 GLU 58 68.642 12.784 6.171 452 HB3 GLU 58 HB1 GLU 58 69.893 13.959 6.573 453 HG2 GLU 58 HG2 GLU 58 69.408 15.198 4.497 454 HG3 GLU 58 HG1 GLU 58 68.164 14.020 4.079 455 H GLY 59 HN GLY 59 72.216 10.919 5.090 456 HA2 GLY 59 HA2 GLY 59 74.575 12.347 5.352 457 HA3 GLY 59 HA1 GLY 59 73.914 12.323 6.988 458 H1U RCY 60 H1U RCY 60 79.195 5.463 0.868 459 H1S RCY 60 H1S RCY 60 76.403 8.767 3.059 460 HB1 RCY 60 HB1 RCY 60 76.854 7.270 5.456 461 HB2 RCY 60 HB2 RCY 60 76.439 8.289 6.834 462 HA RCY 60 HA RCY 60 74.833 7.702 4.360 463 HN1 RCY 60 HN1 RCY 60 74.093 9.925 4.337 464 H GLY 61 HN GLY 61 75.491 6.095 6.656 465 HA2 GLY 61 HA2 GLY 61 74.409 4.817 8.302 466 HA3 GLY 61 HA1 GLY 61 73.502 6.275 8.712 467 H THR 62 HN THR 62 71.522 6.702 7.572 468 HA THR 62 HA THR 62 69.385 5.770 7.026 469 HB THR 62 HB THR 62 69.985 6.779 4.976 470 HG1 THR 62 HG1 THR 62 69.495 4.978 3.423 471 HG21 THR 62 HG21 THR 62 72.333 6.145 4.930 472 HG22 THR 62 HG22 THR 62 71.590 5.692 3.397 473 HG23 THR 62 HG23 THR 62 71.906 4.462 4.620 474 H ASP 63 HN ASP 63 69.487 3.905 8.523 475 HA ASP 63 HA ASP 63 70.528 1.357 7.700 476 HB2 ASP 63 HB2 ASP 63 69.895 2.086 10.067 477 HB3 ASP 63 HB1 ASP 63 68.219 1.781 9.608 478 H ILE 64 HN ILE 64 68.331 3.020 6.077 479 HA ILE 64 HA ILE 64 66.842 0.563 5.246 480 HB ILE 64 HB ILE 64 65.624 3.319 5.589 481 HG12 ILE 64 HG12 ILE 64 65.039 0.778 7.134 482 HG13 ILE 64 HG11 ILE 64 66.129 2.035 7.720 483 HG21 ILE 64 HG21 ILE 64 64.548 0.655 4.636 484 HG22 ILE 64 HG22 ILE 64 64.556 2.190 3.767 485 HG23 ILE 64 HG23 ILE 64 63.500 1.973 5.163 486 HD11 ILE 64 HD11 ILE 64 63.766 2.246 8.577 487 HD12 ILE 64 HD12 ILE 64 63.252 2.549 6.918 488 HD13 ILE 64 HD13 ILE 64 64.350 3.672 7.720 489 H THR 65 HN THR 65 67.927 3.838 4.468 490 HA THR 65 HA THR 65 68.029 4.920 2.358 491 HB THR 65 HB THR 65 69.344 2.237 1.813 492 HG1 THR 65 HG1 THR 65 70.173 3.519 3.567 493 HG21 THR 65 HG21 THR 65 69.370 3.035 -0.314 494 HG22 THR 65 HG22 THR 65 70.642 4.101 0.284 495 HG23 THR 65 HG23 THR 65 68.977 4.676 0.198 496 H VAL 66 HN VAL 66 65.529 3.768 2.761 497 HA VAL 66 HA VAL 66 63.606 3.214 1.544 498 HB VAL 66 HB VAL 66 65.290 3.231 -0.969 499 HG11 VAL 66 HG11 VAL 66 62.436 4.101 -0.424 500 HG12 VAL 66 HG12 VAL 66 62.887 2.507 -1.029 501 HG13 VAL 66 HG13 VAL 66 63.208 3.943 -2.001 502 HG21 VAL 66 HG21 VAL 66 64.357 5.541 0.731 503 HG22 VAL 66 HG22 VAL 66 64.539 5.726 -1.014 504 HG23 VAL 66 HG23 VAL 66 65.932 5.293 -0.023 505 H ILE 67 HN ILE 67 66.388 1.685 -0.082 506 HA ILE 67 HA ILE 67 65.309 -0.979 0.699 507 HB ILE 67 HB ILE 67 66.200 -0.191 -2.093 508 HG12 ILE 67 HG12 ILE 67 63.549 -1.311 -1.142 509 HG13 ILE 67 HG11 ILE 67 63.847 0.415 -1.351 510 HG21 ILE 67 HG21 ILE 67 65.566 -2.864 -0.827 511 HG22 ILE 67 HG22 ILE 67 67.026 -2.395 -1.698 512 HG23 ILE 67 HG23 ILE 67 65.509 -2.609 -2.571 513 HD11 ILE 67 HD11 ILE 67 64.206 0.174 -3.692 514 HD12 ILE 67 HD12 ILE 67 62.782 -0.805 -3.341 515 HD13 ILE 67 HD13 ILE 67 64.351 -1.579 -3.566 516 H1U RCY 68 H1U RCY 68 73.135 -0.561 -0.771 517 H1S RCY 68 H1S RCY 68 70.452 1.908 2.396 518 HB1 RCY 68 HB1 RCY 68 70.387 -1.739 3.555 519 HB2 RCY 68 HB2 RCY 68 68.655 -1.824 3.867 520 HA RCY 68 HA RCY 68 69.814 -0.766 1.276 521 HN1 RCY 68 HN1 RCY 68 67.068 -1.146 2.230 522 HA PRO 69 HA PRO 69 70.316 -4.878 -0.294 523 HB2 PRO 69 HB2 PRO 69 73.024 -5.213 0.096 524 HB3 PRO 69 HB1 PRO 69 72.329 -4.242 -1.215 525 HG2 PRO 69 HG2 PRO 69 73.486 -3.362 1.376 526 HG3 PRO 69 HG1 PRO 69 73.600 -2.615 -0.226 527 HD2 PRO 69 HD2 PRO 69 71.913 -1.692 1.721 528 HD3 PRO 69 HD1 PRO 69 71.565 -1.529 -0.014 529 H TRP 70 HN TRP 70 70.202 -4.222 2.864 530 HA TRP 70 HA TRP 70 71.493 -6.614 3.945 531 HD1 TRP 70 HD1 TRP 70 71.173 -7.801 6.263 532 HE1 TRP 70 HE1 TRP 70 73.161 -7.780 7.903 533 HE3 TRP 70 HE3 TRP 70 72.245 -2.809 6.284 534 HZ2 TRP 70 HZ2 TRP 70 74.970 -5.892 9.072 535 HZ3 TRP 70 HZ3 TRP 70 74.100 -1.927 7.665 536 HH2 TRP 70 HH2 TRP 70 75.463 -3.457 9.058 537 HB2 TRP 70 HB2 TRP 70 70.612 -4.177 5.009 538 HB3 TRP 70 HB1 TRP 70 69.503 -5.365 5.690 539 H GLU 71 HN GLU 71 68.655 -6.090 2.237 540 HA GLU 71 HA GLU 71 67.606 -8.712 3.134 541 HB2 GLU 71 HB2 GLU 71 66.019 -6.131 3.235 542 HB3 GLU 71 HB1 GLU 71 65.281 -7.732 3.300 543 HG2 GLU 71 HG2 GLU 71 66.827 -8.226 5.266 544 HG3 GLU 71 HG1 GLU 71 67.212 -6.505 5.280 545 H ALA 72 HN ALA 72 67.159 -5.921 0.952 546 HA ALA 72 HA ALA 72 65.716 -7.516 -1.012 547 HB1 ALA 72 HB1 ALA 72 66.133 -5.469 -2.476 548 HB2 ALA 72 HB2 ALA 72 66.944 -4.752 -1.083 549 HB3 ALA 72 HB3 ALA 72 65.235 -5.173 -0.988 550 H1U RCY 73 H1U RCY 73 73.657 -3.755 -3.532 551 H1S RCY 73 H1S RCY 73 73.372 -8.535 -3.514 552 HB1 RCY 73 HB1 RCY 73 70.545 -9.860 -0.259 553 HB2 RCY 73 HB2 RCY 73 71.182 -8.219 -0.157 554 HA RCY 73 HA RCY 73 70.278 -7.781 -2.452 555 HN1 RCY 73 HN1 RCY 73 68.648 -8.105 -0.096 556 H ASN 74 HN ASN 74 69.094 -8.558 -4.254 557 HA ASN 74 HA ASN 74 69.003 -11.520 -4.457 558 HB2 ASN 74 HB2 ASN 74 66.660 -9.774 -5.267 559 HB3 ASN 74 HB1 ASN 74 66.736 -11.536 -5.296 560 HD21 ASN 74 HD21 ASN 74 66.725 -8.733 -3.068 561 HD22 ASN 74 HD22 ASN 74 66.177 -9.606 -1.719 562 H HIS 75 HN HIS 75 70.707 -11.411 -5.967 563 HA HIS 75 HA HIS 75 71.515 -11.362 -8.175 564 HD1 HIS 75 HD1 HIS 75 70.793 -9.628 -11.202 565 HD2 HIS 75 HD2 HIS 75 69.918 -13.594 -10.252 566 HE1 HIS 75 HE1 HIS 75 71.601 -11.026 -13.154 567 HE2 HIS 75 HE2 HIS 75 71.074 -13.443 -12.588 568 HB2 HIS 75 HB2 HIS 75 68.875 -11.580 -8.588 569 HB3 HIS 75 HB1 HIS 75 69.088 -9.938 -9.194 570 H1U RCY 76 H1U RCY 76 78.497 -5.757 -3.209 571 H1S RCY 76 H1S RCY 76 74.205 -6.667 -5.001 572 HB1 RCY 76 HB1 RCY 76 72.552 -7.531 -6.620 573 HB2 RCY 76 HB2 RCY 76 71.864 -6.299 -7.676 574 HA RCY 76 HA RCY 76 72.697 -7.279 -9.579 575 HN1 RCY 76 HN1 RCY 76 73.036 -9.895 -8.727 576 H GLU 77 HN GLU 77 74.784 -8.600 -6.980 577 HA GLU 77 HA GLU 77 77.193 -7.539 -8.124 578 HB2 GLU 77 HB2 GLU 77 78.246 -9.401 -6.605 579 HB3 GLU 77 HB1 GLU 77 77.393 -8.059 -5.846 580 HG2 GLU 77 HG2 GLU 77 76.753 -10.341 -4.959 581 HG3 GLU 77 HG1 GLU 77 75.399 -9.386 -5.563 582 H LEU 78 HN LEU 78 79.029 -9.487 -8.374 583 HA LEU 78 HA LEU 78 78.026 -11.053 -10.703 584 HG LEU 78 HG LEU 78 80.995 -10.558 -12.596 585 HB2 LEU 78 HB2 LEU 78 80.198 -9.380 -10.525 586 HB3 LEU 78 HB1 LEU 78 80.944 -10.940 -10.195 587 HD11 LEU 78 HD11 LEU 78 78.682 -12.443 -12.305 588 HD12 LEU 78 HD12 LEU 78 80.201 -12.835 -11.499 589 HD13 LEU 78 HD13 LEU 78 80.160 -12.626 -13.250 590 HD21 LEU 78 HD21 LEU 78 78.035 -10.565 -12.861 591 HD22 LEU 78 HD22 LEU 78 79.247 -9.705 -13.811 592 HD23 LEU 78 HD23 LEU 78 78.753 -9.079 -12.237 593 H HIS 79 HN HIS 79 79.669 -11.266 -7.617 594 HA HIS 79 HA HIS 79 79.362 -13.186 -6.165 595 HD1 HIS 79 HD1 HIS 79 79.410 -17.242 -8.731 596 HD2 HIS 79 HD2 HIS 79 81.193 -13.583 -9.642 597 HE1 HIS 79 HE1 HIS 79 81.059 -17.696 -10.599 598 HE2 HIS 79 HE2 HIS 79 82.151 -15.476 -11.163 599 HB2 HIS 79 HB2 HIS 79 79.000 -15.359 -6.934 600 HB3 HIS 79 HB1 HIS 79 78.151 -14.394 -8.134 601 H GLU 80 HN GLU 80 80.960 -14.989 -5.648 602 HA GLU 80 HA GLU 80 83.404 -15.624 -6.545 603 HB2 GLU 80 HB2 GLU 80 83.410 -12.689 -5.924 604 HB3 GLU 80 HB1 GLU 80 84.813 -13.614 -5.405 605 HG2 GLU 80 HG2 GLU 80 83.899 -14.201 -8.155 606 HG3 GLU 80 HG1 GLU 80 84.519 -12.567 -7.914 607 H LEU 81 HN LEU 81 84.132 -13.634 -3.878 608 HA LEU 81 HA LEU 81 83.741 -15.951 -2.039 609 HG LEU 81 HG LEU 81 87.269 -15.206 -1.666 610 HB2 LEU 81 HB2 LEU 81 85.550 -13.538 -2.037 611 HB3 LEU 81 HB1 LEU 81 85.191 -14.362 -0.522 612 HD11 LEU 81 HD11 LEU 81 85.375 -16.582 -0.280 613 HD12 LEU 81 HD12 LEU 81 86.885 -17.302 -0.840 614 HD13 LEU 81 HD13 LEU 81 85.408 -17.510 -1.780 615 HD21 LEU 81 HD21 LEU 81 85.398 -16.505 -3.643 616 HD22 LEU 81 HD22 LEU 81 87.151 -16.334 -3.736 617 HD23 LEU 81 HD23 LEU 81 86.113 -14.929 -3.980 618 H ALA 82 HN ALA 82 83.088 -12.509 -2.469 619 HA ALA 82 HA ALA 82 81.605 -12.147 -0.019 620 HB1 ALA 82 HB1 ALA 82 82.359 -10.136 -0.963 621 HB2 ALA 82 HB2 ALA 82 80.661 -10.142 -1.439 622 HB3 ALA 82 HB3 ALA 82 81.903 -10.620 -2.595 623 H GLN 83 HN GLN 83 80.133 -14.034 -0.069 624 HA GLN 83 HA GLN 83 78.287 -14.555 -2.175 625 HB2 GLN 83 HB2 GLN 83 78.829 -15.799 0.156 626 HB3 GLN 83 HB1 GLN 83 77.373 -14.937 0.650 627 HG2 GLN 83 HG2 GLN 83 77.612 -16.767 -1.758 628 HG3 GLN 83 HG1 GLN 83 76.800 -17.159 -0.242 629 HE21 GLN 83 HE21 GLN 83 76.646 -14.953 -3.057 630 HE22 GLN 83 HE22 GLN 83 74.996 -14.592 -2.885 631 H TYR 84 HN TYR 84 77.656 -12.878 0.897 632 HA TYR 84 HA TYR 84 75.530 -11.251 -0.454 633 HD1 TYR 84 HD1 TYR 84 76.958 -10.554 3.450 634 HD2 TYR 84 HD2 TYR 84 75.609 -14.409 2.118 635 HE1 TYR 84 HE1 TYR 84 78.391 -11.645 5.155 636 HE2 TYR 84 HE2 TYR 84 77.042 -15.499 3.823 637 HH TYR 84 HH TYR 84 78.611 -13.694 6.330 638 HB2 TYR 84 HB2 TYR 84 74.899 -10.841 2.050 639 HB3 TYR 84 HB1 TYR 84 74.523 -12.422 1.357 640 H GLY 85 HN GLY 85 78.597 -11.289 0.958 641 HA2 GLY 85 HA2 GLY 85 79.858 -9.102 0.472 642 HA3 GLY 85 HA1 GLY 85 78.576 -8.343 1.424 643 H ILE 86 HN ILE 86 79.661 -7.753 3.249 644 HA ILE 86 HA ILE 86 80.181 -9.629 5.299 645 HB ILE 86 HB ILE 86 82.804 -9.018 5.295 646 HG12 ILE 86 HG12 ILE 86 82.338 -9.419 2.349 647 HG13 ILE 86 HG11 ILE 86 82.296 -7.792 3.029 648 HG21 ILE 86 HG21 ILE 86 82.385 -11.209 3.416 649 HG22 ILE 86 HG22 ILE 86 81.261 -11.284 4.774 650 HG23 ILE 86 HG23 ILE 86 83.000 -11.256 5.069 651 HD11 ILE 86 HD11 ILE 86 84.588 -9.671 3.597 652 HD12 ILE 86 HD12 ILE 86 84.543 -7.916 3.764 653 HD13 ILE 86 HD13 ILE 86 84.572 -8.649 2.160 654 H1U RCY 87 H1U RCY 87 76.919 -5.049 -0.085 655 H1S RCY 87 H1S RCY 87 79.093 -1.845 2.800 656 HB1 RCY 87 HB1 RCY 87 77.987 -4.168 5.590 657 HB2 RCY 87 HB2 RCY 87 78.594 -4.900 4.105 658 HA RCY 87 HA RCY 87 80.749 -4.959 5.948 659 HN1 RCY 87 HN1 RCY 87 79.189 -6.903 4.449 Start of MODEL 88 1 HA MET 1 HA MET 1 50.669 -5.047 -10.081 2 HB2 MET 1 HB2 MET 1 48.999 -4.004 -11.739 3 HB3 MET 1 HB1 MET 1 50.207 -4.330 -12.981 4 HG2 MET 1 HG2 MET 1 48.825 -6.252 -13.004 5 HG3 MET 1 HG1 MET 1 50.232 -6.743 -12.061 6 HE1 MET 1 HE1 MET 1 50.348 -7.349 -9.815 7 HE2 MET 1 HE2 MET 1 49.349 -8.604 -10.543 8 HE3 MET 1 HE3 MET 1 48.944 -7.981 -8.945 9 H ASN 2 HN ASN 2 53.168 -4.893 -9.783 10 HA ASN 2 HA ASN 2 55.025 -4.986 -11.867 11 HB2 ASN 2 HB2 ASN 2 55.012 -6.696 -9.359 12 HB3 ASN 2 HB1 ASN 2 56.419 -6.384 -10.376 13 HD21 ASN 2 HD21 ASN 2 57.605 -5.166 -8.780 14 HD22 ASN 2 HD22 ASN 2 57.084 -3.650 -8.224 15 H LEU 3 HN LEU 3 56.027 -6.839 -12.968 16 HA LEU 3 HA LEU 3 53.989 -8.812 -13.787 17 HG LEU 3 HG LEU 3 55.501 -7.461 -16.810 18 HB2 LEU 3 HB2 LEU 3 56.727 -8.049 -14.807 19 HB3 LEU 3 HB1 LEU 3 55.911 -9.501 -15.384 20 HD11 LEU 3 HD11 LEU 3 53.354 -8.153 -17.298 21 HD12 LEU 3 HD12 LEU 3 52.868 -8.187 -15.603 22 HD13 LEU 3 HD13 LEU 3 53.850 -9.494 -16.264 23 HD21 LEU 3 HD21 LEU 3 54.204 -5.649 -15.976 24 HD22 LEU 3 HD22 LEU 3 55.409 -5.952 -14.725 25 HD23 LEU 3 HD23 LEU 3 53.758 -6.537 -14.519 26 H GLU 4 HN GLU 4 57.417 -8.971 -12.733 27 HA GLU 4 HA GLU 4 57.572 -11.741 -12.365 28 HB2 GLU 4 HB2 GLU 4 58.896 -9.425 -10.970 29 HB3 GLU 4 HB1 GLU 4 59.208 -11.075 -10.433 30 HG2 GLU 4 HG2 GLU 4 59.891 -11.688 -12.733 31 HG3 GLU 4 HG1 GLU 4 59.609 -10.026 -13.251 32 HA PRO 5 HA PRO 5 54.688 -13.007 -9.251 33 HB2 PRO 5 HB2 PRO 5 57.128 -14.158 -7.937 34 HB3 PRO 5 HB1 PRO 5 55.549 -14.912 -8.236 35 HG2 PRO 5 HG2 PRO 5 57.687 -15.410 -9.777 36 HG3 PRO 5 HG1 PRO 5 56.037 -15.388 -10.419 37 HD2 PRO 5 HD2 PRO 5 58.230 -13.468 -10.877 38 HD3 PRO 5 HD1 PRO 5 56.743 -13.721 -11.815 39 HA PRO 6 HA PRO 6 55.897 -9.706 -6.309 40 HB2 PRO 6 HB2 PRO 6 53.426 -8.655 -5.946 41 HB3 PRO 6 HB1 PRO 6 54.397 -8.306 -7.390 42 HG2 PRO 6 HG2 PRO 6 52.089 -10.141 -7.068 43 HG3 PRO 6 HG1 PRO 6 52.555 -9.141 -8.452 44 HD2 PRO 6 HD2 PRO 6 53.043 -11.889 -8.208 45 HD3 PRO 6 HD1 PRO 6 53.862 -10.796 -9.344 46 H LYS 7 HN LYS 7 56.095 -10.079 -4.134 47 HA LYS 7 HA LYS 7 53.910 -11.555 -2.732 48 HB2 LYS 7 HB2 LYS 7 56.543 -12.206 -1.646 49 HB3 LYS 7 HB1 LYS 7 55.253 -13.289 -2.162 50 HG2 LYS 7 HG2 LYS 7 57.086 -13.763 -3.609 51 HG3 LYS 7 HG1 LYS 7 55.982 -12.773 -4.565 52 HD2 LYS 7 HD2 LYS 7 57.834 -11.514 -4.974 53 HD3 LYS 7 HD1 LYS 7 57.512 -10.847 -3.373 54 HE2 LYS 7 HE2 LYS 7 58.966 -12.645 -2.397 55 HE3 LYS 7 HE1 LYS 7 59.380 -13.139 -4.039 56 HZ1 LYS 7 HZ1 LYS 7 60.315 -10.999 -4.466 57 HZ2 LYS 7 HZ2 LYS 7 60.998 -11.594 -3.029 58 HZ3 LYS 7 HZ3 LYS 7 59.789 -10.402 -2.968 59 H ALA 8 HN ALA 8 53.255 -9.535 -1.821 60 HA ALA 8 HA ALA 8 53.385 -7.688 -0.358 61 HB1 ALA 8 HB1 ALA 8 54.821 -9.910 1.107 62 HB2 ALA 8 HB2 ALA 8 53.155 -9.372 1.316 63 HB3 ALA 8 HB3 ALA 8 54.485 -8.351 1.859 64 H GLU 9 HN GLU 9 54.829 -6.556 -1.944 65 HA GLU 9 HA GLU 9 57.711 -6.606 -1.408 66 HB2 GLU 9 HB2 GLU 9 57.593 -4.567 -3.037 67 HB3 GLU 9 HB1 GLU 9 57.245 -6.175 -3.671 68 HG2 GLU 9 HG2 GLU 9 55.010 -4.500 -2.559 69 HG3 GLU 9 HG1 GLU 9 55.591 -4.206 -4.198 70 H1U RCY 10 H1U RCY 10 58.482 -4.473 -3.375 71 H1S RCY 10 H1S RCY 10 59.712 -5.649 1.182 72 HB1 RCY 10 HB1 RCY 10 57.335 -3.209 3.138 73 HB2 RCY 10 HB2 RCY 10 58.201 -3.278 1.603 74 HA RCY 10 HA RCY 10 55.302 -3.895 2.160 75 HN1 RCY 10 HN1 RCY 10 55.489 -5.601 0.556 76 H ARG 11 HN ARG 11 53.953 -2.596 0.729 77 HA ARG 11 HA ARG 11 53.409 -0.622 -0.412 78 HE ARG 11 HE ARG 11 53.161 4.436 0.801 79 HB2 ARG 11 HB2 ARG 11 54.584 0.276 1.676 80 HB3 ARG 11 HB1 ARG 11 56.025 0.448 0.674 81 HG2 ARG 11 HG2 ARG 11 54.970 2.025 -0.759 82 HG3 ARG 11 HG1 ARG 11 53.366 1.634 -0.138 83 HD2 ARG 11 HD2 ARG 11 53.959 2.576 2.049 84 HD3 ARG 11 HD1 ARG 11 55.589 2.924 1.473 85 HH11 ARG 11 HH21 ARG 11 56.425 3.603 0.065 86 HH12 ARG 11 HH22 ARG 11 56.725 5.042 -0.852 87 HH21 ARG 11 HH11 ARG 11 53.535 6.320 -0.391 88 HH22 ARG 11 HH12 ARG 11 55.089 6.580 -1.110 89 H SER 12 HN SER 12 54.180 0.821 -2.223 90 HA SER 12 HA SER 12 56.625 -0.094 -3.607 91 HG SER 12 HG SER 12 55.679 -2.282 -4.047 92 HB2 SER 12 HB2 SER 12 53.899 -0.262 -4.925 93 HB3 SER 12 HB1 SER 12 55.445 -0.658 -5.670 94 H ALA 13 HN ALA 13 54.477 1.235 -5.796 95 HA ALA 13 HA ALA 13 54.482 3.336 -6.853 96 HB1 ALA 13 HB1 ALA 13 54.398 4.078 -3.918 97 HB2 ALA 13 HB2 ALA 13 53.039 3.958 -5.035 98 HB3 ALA 13 HB3 ALA 13 54.214 5.261 -5.213 99 H THR 14 HN THR 14 55.692 5.725 -6.343 100 HA THR 14 HA THR 14 58.451 5.401 -5.476 101 HB THR 14 HB THR 14 58.023 5.927 -8.423 102 HG1 THR 14 HG1 THR 14 59.174 3.564 -7.816 103 HG21 THR 14 HG21 THR 14 60.122 6.704 -7.216 104 HG22 THR 14 HG22 THR 14 60.392 5.620 -8.581 105 HG23 THR 14 HG23 THR 14 60.486 5.002 -6.932 106 H ARG 15 HN ARG 15 56.599 7.383 -7.822 107 HA ARG 15 HA ARG 15 56.406 9.721 -7.965 108 HE ARG 15 HE ARG 15 52.897 11.724 -5.065 109 HB2 ARG 15 HB2 ARG 15 56.411 9.203 -4.988 110 HB3 ARG 15 HB1 ARG 15 56.216 10.825 -5.646 111 HG2 ARG 15 HG2 ARG 15 54.252 10.130 -6.907 112 HG3 ARG 15 HG1 ARG 15 54.476 8.460 -6.387 113 HD2 ARG 15 HD2 ARG 15 52.815 9.332 -4.928 114 HD3 ARG 15 HD1 ARG 15 54.305 9.359 -3.985 115 HH11 ARG 15 HH21 ARG 15 55.638 10.292 -3.541 116 HH12 ARG 15 HH22 ARG 15 56.220 11.786 -2.885 117 HH21 ARG 15 HH11 ARG 15 53.641 13.683 -4.217 118 HH22 ARG 15 HH12 ARG 15 55.090 13.705 -3.268 119 H VAL 16 HN VAL 16 57.896 10.890 -5.266 120 HA VAL 16 HA VAL 16 60.664 10.729 -6.236 121 HB VAL 16 HB VAL 16 60.827 13.248 -6.410 122 HG11 VAL 16 HG11 VAL 16 60.541 11.611 -8.365 123 HG12 VAL 16 HG12 VAL 16 60.111 13.291 -8.683 124 HG13 VAL 16 HG13 VAL 16 58.847 12.099 -8.386 125 HG21 VAL 16 HG21 VAL 16 58.708 13.688 -5.151 126 HG22 VAL 16 HG22 VAL 16 57.801 13.043 -6.518 127 HG23 VAL 16 HG23 VAL 16 58.759 14.511 -6.710 128 H MET 17 HN MET 17 58.852 10.343 -3.775 129 HA MET 17 HA MET 17 59.054 10.624 -1.457 130 HB2 MET 17 HB2 MET 17 61.874 11.547 -2.055 131 HB3 MET 17 HB1 MET 17 61.281 10.757 -0.594 132 HG2 MET 17 HG2 MET 17 60.637 8.796 -2.162 133 HG3 MET 17 HG1 MET 17 61.717 9.561 -3.328 134 HE1 MET 17 HE1 MET 17 65.163 9.007 -2.225 135 HE2 MET 17 HE2 MET 17 64.180 10.437 -2.531 136 HE3 MET 17 HE3 MET 17 63.996 9.013 -3.554 137 H GLY 18 HN GLY 18 59.487 12.332 0.253 138 HA2 GLY 18 HA2 GLY 18 59.970 15.065 -0.546 139 HA3 GLY 18 HA1 GLY 18 58.242 14.766 -0.349 140 H GLY 19 HN GLY 19 58.105 16.122 1.518 141 HA2 GLY 19 HA2 GLY 19 57.961 16.335 3.865 142 HA3 GLY 19 HA1 GLY 19 58.758 14.767 4.014 143 HA PRO 20 HA PRO 20 61.764 18.813 3.758 144 HB2 PRO 20 HB2 PRO 20 60.758 19.303 6.545 145 HB3 PRO 20 HB1 PRO 20 61.378 20.463 5.352 146 HG2 PRO 20 HG2 PRO 20 58.768 20.198 5.805 147 HG3 PRO 20 HG1 PRO 20 59.397 20.510 4.178 148 HD2 PRO 20 HD2 PRO 20 58.233 18.007 5.288 149 HD3 PRO 20 HD1 PRO 20 58.304 18.569 3.604 150 H1U RCY 21 H1U RCY 21 67.458 11.649 3.529 151 H1S RCY 21 H1S RCY 21 66.270 13.315 4.358 152 HB1 RCY 21 HB1 RCY 21 66.004 16.183 4.413 153 HB2 RCY 21 HB2 RCY 21 64.377 15.527 4.242 154 HA RCY 21 HA RCY 21 64.157 16.456 6.746 155 HN1 RCY 21 HN1 RCY 21 63.841 18.321 4.432 156 H THR 22 HN THR 22 64.978 18.042 8.119 157 HA THR 22 HA THR 22 66.706 20.155 7.505 158 HB THR 22 HB THR 22 66.948 18.541 10.044 159 HG1 THR 22 HG1 THR 22 64.728 18.955 9.384 160 HG21 THR 22 HG21 THR 22 67.515 20.633 11.037 161 HG22 THR 22 HG22 THR 22 66.962 21.534 9.626 162 HG23 THR 22 HG23 THR 22 68.429 20.561 9.530 163 HA PRO 23 HA PRO 23 70.304 17.539 6.538 164 HB2 PRO 23 HB2 PRO 23 71.523 19.231 4.839 165 HB3 PRO 23 HB1 PRO 23 70.055 18.352 4.364 166 HG2 PRO 23 HG2 PRO 23 70.368 21.190 5.179 167 HG3 PRO 23 HG1 PRO 23 69.296 20.473 3.966 168 HD2 PRO 23 HD2 PRO 23 68.551 21.193 6.580 169 HD3 PRO 23 HD1 PRO 23 67.629 20.128 5.497 170 H ARG 24 HN ARG 24 71.836 17.455 8.162 171 HA ARG 24 HA ARG 24 73.940 19.267 8.479 172 HE ARG 24 HE ARG 24 71.719 21.815 11.488 173 HB2 ARG 24 HB2 ARG 24 71.465 20.181 9.764 174 HB3 ARG 24 HB1 ARG 24 72.790 20.038 10.914 175 HG2 ARG 24 HG2 ARG 24 74.058 21.669 9.873 176 HG3 ARG 24 HG1 ARG 24 73.366 21.340 8.284 177 HD2 ARG 24 HD2 ARG 24 72.689 23.527 9.626 178 HD3 ARG 24 HD1 ARG 24 71.493 22.649 8.673 179 HH11 ARG 24 HH21 ARG 24 70.194 23.740 9.068 180 HH12 ARG 24 HH22 ARG 24 68.737 23.965 9.976 181 HH21 ARG 24 HH11 ARG 24 69.825 22.098 12.688 182 HH22 ARG 24 HH12 ARG 24 68.528 23.036 12.026 183 H LYS 25 HN LYS 25 72.098 18.285 11.331 184 HA LYS 25 HA LYS 25 74.258 16.832 12.461 185 HB2 LYS 25 HB2 LYS 25 71.682 17.565 13.264 186 HB3 LYS 25 HB1 LYS 25 71.628 15.806 13.267 187 HG2 LYS 25 HG2 LYS 25 72.428 16.314 15.422 188 HG3 LYS 25 HG1 LYS 25 73.904 15.961 14.523 189 HD2 LYS 25 HD2 LYS 25 74.380 18.297 14.224 190 HD3 LYS 25 HD1 LYS 25 72.791 18.759 14.835 191 HE2 LYS 25 HE2 LYS 25 74.696 17.173 16.549 192 HE3 LYS 25 HE1 LYS 25 74.815 18.930 16.454 193 HZ1 LYS 25 HZ1 LYS 25 72.900 17.314 17.825 194 HZ2 LYS 25 HZ2 LYS 25 72.153 18.448 16.804 195 HZ3 LYS 25 HZ3 LYS 25 73.241 18.967 18.001 196 H GLY 26 HN GLY 26 75.096 15.423 10.838 197 HA2 GLY 26 HA2 GLY 26 73.539 13.541 9.365 198 HA3 GLY 26 HA1 GLY 26 75.268 13.388 9.680 199 HA PRO 27 HA PRO 27 72.365 10.180 11.936 200 HB2 PRO 27 HB2 PRO 27 74.443 8.512 10.563 201 HB3 PRO 27 HB1 PRO 27 72.732 8.151 10.869 202 HG2 PRO 27 HG2 PRO 27 73.602 8.930 8.467 203 HG3 PRO 27 HG1 PRO 27 72.011 9.398 9.088 204 HD2 PRO 27 HD2 PRO 27 74.434 11.065 8.712 205 HD3 PRO 27 HD1 PRO 27 72.729 11.557 8.801 206 HA PRO 28 HA PRO 28 75.417 10.733 15.257 207 HB2 PRO 28 HB2 PRO 28 73.814 8.451 16.360 208 HB3 PRO 28 HB1 PRO 28 74.331 9.951 17.155 209 HG2 PRO 28 HG2 PRO 28 71.828 9.612 16.300 210 HG3 PRO 28 HG1 PRO 28 72.634 11.187 16.219 211 HD2 PRO 28 HD2 PRO 28 71.960 9.311 14.010 212 HD3 PRO 28 HD1 PRO 28 72.176 11.075 13.967 213 H LYS 29 HN LYS 29 77.161 9.424 16.178 214 HA LYS 29 HA LYS 29 78.486 7.691 14.459 215 HB2 LYS 29 HB2 LYS 29 78.628 7.133 17.409 216 HB3 LYS 29 HB1 LYS 29 79.931 7.204 16.223 217 HG2 LYS 29 HG2 LYS 29 80.282 9.237 17.252 218 HG3 LYS 29 HG1 LYS 29 79.104 9.745 16.040 219 HD2 LYS 29 HD2 LYS 29 78.138 10.617 17.965 220 HD3 LYS 29 HD1 LYS 29 77.359 9.036 17.898 221 HE2 LYS 29 HE2 LYS 29 79.352 8.214 19.330 222 HE3 LYS 29 HE1 LYS 29 79.653 9.923 19.645 223 HZ1 LYS 29 HZ1 LYS 29 77.145 8.435 20.204 224 HZ2 LYS 29 HZ2 LYS 29 77.337 10.111 20.404 225 HZ3 LYS 29 HZ3 LYS 29 78.244 9.031 21.350 226 H1U RCY 30 H1U RCY 30 77.925 7.690 10.475 227 H1S RCY 30 H1S RCY 30 76.217 3.426 11.765 228 HB1 RCY 30 HB1 RCY 30 74.657 5.466 14.398 229 HB2 RCY 30 HB2 RCY 30 73.857 4.061 15.101 230 HA RCY 30 HA RCY 30 74.671 4.961 17.050 231 HN1 RCY 30 HN1 RCY 30 75.898 6.930 16.719 232 H LYS 31 HN LYS 31 74.899 2.526 17.169 233 HA LYS 31 HA LYS 31 77.453 1.277 16.743 234 HB2 LYS 31 HB2 LYS 31 78.028 1.004 19.193 235 HB3 LYS 31 HB1 LYS 31 78.248 2.635 18.565 236 HG2 LYS 31 HG2 LYS 31 76.931 3.337 20.264 237 HG3 LYS 31 HG1 LYS 31 75.585 2.595 19.398 238 HD2 LYS 31 HD2 LYS 31 75.463 1.575 21.510 239 HD3 LYS 31 HD1 LYS 31 76.364 0.393 20.559 240 HE2 LYS 31 HE2 LYS 31 77.585 0.636 22.594 241 HE3 LYS 31 HE1 LYS 31 78.486 1.556 21.389 242 HZ1 LYS 31 HZ1 LYS 31 76.462 3.132 22.629 243 HZ2 LYS 31 HZ2 LYS 31 78.129 3.431 22.489 244 HZ3 LYS 31 HZ3 LYS 31 77.536 2.496 23.778 245 H GLN 32 HN GLN 32 77.379 -0.669 18.749 246 HA GLN 32 HA GLN 32 76.192 -2.570 19.471 247 HB2 GLN 32 HB2 GLN 32 74.356 -0.614 19.780 248 HB3 GLN 32 HB1 GLN 32 73.568 -1.530 18.497 249 HG2 GLN 32 HG2 GLN 32 72.761 -2.560 20.454 250 HG3 GLN 32 HG1 GLN 32 74.092 -3.612 19.971 251 HE21 GLN 32 HE21 GLN 32 75.174 -4.233 21.850 252 HE22 GLN 32 HE22 GLN 32 75.599 -3.188 23.118 253 H ARG 33 HN ARG 33 76.467 -1.433 16.378 254 HA ARG 33 HA ARG 33 74.794 -3.165 14.862 255 HE ARG 33 HE ARG 33 74.885 -5.275 13.633 256 HB2 ARG 33 HB2 ARG 33 76.474 -1.157 14.215 257 HB3 ARG 33 HB1 ARG 33 77.498 -2.520 13.778 258 HG2 ARG 33 HG2 ARG 33 74.653 -2.095 12.816 259 HG3 ARG 33 HG1 ARG 33 76.107 -1.788 11.865 260 HD2 ARG 33 HD2 ARG 33 75.566 -3.944 11.169 261 HD3 ARG 33 HD1 ARG 33 76.684 -4.283 12.491 262 HH11 ARG 33 HH21 ARG 33 73.800 -3.005 11.276 263 HH12 ARG 33 HH22 ARG 33 72.120 -3.335 11.538 264 HH21 ARG 33 HH11 ARG 33 72.697 -5.719 13.988 265 HH22 ARG 33 HH12 ARG 33 71.496 -4.871 13.073 266 H GLN 34 HN GLN 34 78.284 -3.681 14.664 267 HA GLN 34 HA GLN 34 78.388 -6.181 16.018 268 HB2 GLN 34 HB2 GLN 34 76.930 -6.399 13.656 269 HB3 GLN 34 HB1 GLN 34 78.534 -6.944 13.180 270 HG2 GLN 34 HG2 GLN 34 77.457 -8.900 13.975 271 HG3 GLN 34 HG1 GLN 34 78.485 -8.389 15.314 272 HE21 GLN 34 HE21 GLN 34 77.421 -8.318 17.293 273 HE22 GLN 34 HE22 GLN 34 75.753 -8.078 17.498 274 H THR 35 HN THR 35 79.675 -5.718 12.754 275 HA THR 35 HA THR 35 82.077 -4.390 13.320 276 HB THR 35 HB THR 35 82.873 -5.985 14.844 277 HG1 THR 35 HG1 THR 35 84.561 -6.799 13.804 278 HG21 THR 35 HG21 THR 35 81.403 -7.739 14.959 279 HG22 THR 35 HG22 THR 35 82.643 -8.530 13.986 280 HG23 THR 35 HG23 THR 35 81.220 -7.836 13.208 281 H ARG 36 HN ARG 36 80.813 -7.269 11.644 282 HA ARG 36 HA ARG 36 80.979 -6.222 9.043 283 HE ARG 36 HE ARG 36 83.042 -4.587 5.574 284 HB2 ARG 36 HB2 ARG 36 83.574 -6.940 10.115 285 HB3 ARG 36 HB1 ARG 36 83.185 -7.998 8.763 286 HG2 ARG 36 HG2 ARG 36 82.770 -5.020 8.553 287 HG3 ARG 36 HG1 ARG 36 84.352 -5.735 8.243 288 HD2 ARG 36 HD2 ARG 36 83.657 -6.781 6.318 289 HD3 ARG 36 HD1 ARG 36 82.013 -7.013 6.913 290 HH11 ARG 36 HH21 ARG 36 80.579 -6.225 7.346 291 HH12 ARG 36 HH22 ARG 36 79.327 -5.120 6.884 292 HH21 ARG 36 HH11 ARG 36 81.422 -3.136 4.961 293 HH22 ARG 36 HH12 ARG 36 79.804 -3.371 5.534 294 H GLN 37 HN GLN 37 80.296 -8.552 11.233 295 HA GLN 37 HA GLN 37 80.304 -10.961 9.670 296 HB2 GLN 37 HB2 GLN 37 78.769 -10.055 12.107 297 HB3 GLN 37 HB1 GLN 37 78.466 -11.627 11.368 298 HG2 GLN 37 HG2 GLN 37 81.298 -10.840 11.959 299 HG3 GLN 37 HG1 GLN 37 80.273 -11.380 13.289 300 HE21 GLN 37 HE21 GLN 37 79.055 -13.542 12.799 301 HE22 GLN 37 HE22 GLN 37 79.924 -14.724 11.945 302 H1U RCY 38 H1U RCY 38 79.449 -6.375 2.944 303 H1S RCY 38 H1S RCY 38 76.225 -8.923 3.975 304 HB1 RCY 38 HB1 RCY 38 77.824 -8.676 5.919 305 HB2 RCY 38 HB2 RCY 38 77.285 -8.260 7.546 306 HA RCY 38 HA RCY 38 76.391 -10.690 7.646 307 HN1 RCY 38 HN1 RCY 38 79.297 -10.871 7.681 308 H LYS 39 HN LYS 39 79.400 -10.745 5.752 309 HA LYS 39 HA LYS 39 78.363 -11.695 3.322 310 HB2 LYS 39 HB2 LYS 39 80.589 -12.585 2.871 311 HB3 LYS 39 HB1 LYS 39 80.737 -11.023 3.671 312 HG2 LYS 39 HG2 LYS 39 80.841 -13.678 5.134 313 HG3 LYS 39 HG1 LYS 39 82.272 -12.793 4.606 314 HD2 LYS 39 HD2 LYS 39 81.124 -10.787 5.885 315 HD3 LYS 39 HD1 LYS 39 80.287 -12.084 6.738 316 HE2 LYS 39 HE2 LYS 39 82.257 -11.640 8.013 317 HE3 LYS 39 HE1 LYS 39 82.588 -13.127 7.125 318 HZ1 LYS 39 HZ1 LYS 39 83.320 -11.048 5.459 319 HZ2 LYS 39 HZ2 LYS 39 84.351 -12.122 6.278 320 HZ3 LYS 39 HZ3 LYS 39 83.928 -10.639 6.989 321 H SER 40 HN SER 40 77.792 -13.708 2.574 322 HA SER 40 HA SER 40 78.079 -16.062 4.346 323 HG SER 40 HG SER 40 75.016 -15.115 5.675 324 HB2 SER 40 HB2 SER 40 75.433 -14.892 3.466 325 HB3 SER 40 HB1 SER 40 75.600 -16.575 3.955 326 H LYS 41 HN LYS 41 76.926 -14.728 1.259 327 HA LYS 41 HA LYS 41 77.297 -17.386 -0.016 328 HB2 LYS 41 HB2 LYS 41 75.755 -14.938 -0.619 329 HB3 LYS 41 HB1 LYS 41 76.520 -15.668 -2.029 330 HG2 LYS 41 HG2 LYS 41 74.296 -16.634 -1.724 331 HG3 LYS 41 HG1 LYS 41 75.518 -17.863 -1.393 332 HD2 LYS 41 HD2 LYS 41 75.096 -16.542 1.059 333 HD3 LYS 41 HD1 LYS 41 73.490 -16.796 0.375 334 HE2 LYS 41 HE2 LYS 41 75.616 -18.884 0.907 335 HE3 LYS 41 HE1 LYS 41 74.015 -18.769 1.639 336 HZ1 LYS 41 HZ1 LYS 41 74.777 -19.670 -1.041 337 HZ2 LYS 41 HZ2 LYS 41 73.279 -18.890 -0.857 338 HZ3 LYS 41 HZ3 LYS 41 73.618 -20.303 0.024 339 HA PRO 42 HA PRO 42 81.256 -16.227 -1.624 340 HB2 PRO 42 HB2 PRO 42 81.333 -17.710 -3.925 341 HB3 PRO 42 HB1 PRO 42 81.495 -18.422 -2.308 342 HG2 PRO 42 HG2 PRO 42 79.115 -18.317 -4.092 343 HG3 PRO 42 HG1 PRO 42 79.695 -19.633 -3.057 344 HD2 PRO 42 HD2 PRO 42 77.626 -17.981 -2.347 345 HD3 PRO 42 HD1 PRO 42 78.693 -18.762 -1.160 346 HA PRO 43 HA PRO 43 80.761 -12.982 -4.594 347 HB2 PRO 43 HB2 PRO 43 83.185 -13.017 -5.888 348 HB3 PRO 43 HB1 PRO 43 82.962 -12.390 -4.244 349 HG2 PRO 43 HG2 PRO 43 84.018 -15.026 -5.130 350 HG3 PRO 43 HG1 PRO 43 84.554 -13.982 -3.804 351 HD2 PRO 43 HD2 PRO 43 83.002 -16.197 -3.402 352 HD3 PRO 43 HD1 PRO 43 82.930 -14.767 -2.348 353 H LYS 44 HN LYS 44 79.540 -13.050 -6.429 354 HA LYS 44 HA LYS 44 80.363 -14.910 -8.622 355 HB2 LYS 44 HB2 LYS 44 78.344 -15.683 -7.180 356 HB3 LYS 44 HB1 LYS 44 77.464 -14.376 -7.972 357 HG2 LYS 44 HG2 LYS 44 77.984 -15.317 -10.172 358 HG3 LYS 44 HG1 LYS 44 78.946 -16.591 -9.422 359 HD2 LYS 44 HD2 LYS 44 76.812 -17.200 -8.120 360 HD3 LYS 44 HD1 LYS 44 75.958 -16.178 -9.275 361 HE2 LYS 44 HE2 LYS 44 76.836 -17.524 -11.138 362 HE3 LYS 44 HE1 LYS 44 77.721 -18.538 -9.997 363 HZ1 LYS 44 HZ1 LYS 44 74.866 -18.444 -10.575 364 HZ2 LYS 44 HZ2 LYS 44 75.309 -18.709 -8.956 365 HZ3 LYS 44 HZ3 LYS 44 75.849 -19.766 -10.171 366 H LYS 45 HN LYS 45 79.600 -11.782 -7.642 367 HA LYS 45 HA LYS 45 79.876 -10.728 -10.307 368 HB2 LYS 45 HB2 LYS 45 77.341 -11.623 -9.899 369 HB3 LYS 45 HB1 LYS 45 77.185 -9.987 -9.263 370 HG2 LYS 45 HG2 LYS 45 78.014 -9.043 -11.348 371 HG3 LYS 45 HG1 LYS 45 78.343 -10.655 -11.986 372 HD2 LYS 45 HD2 LYS 45 75.573 -10.183 -11.032 373 HD3 LYS 45 HD1 LYS 45 76.046 -9.310 -12.490 374 HE2 LYS 45 HE2 LYS 45 75.042 -11.675 -12.791 375 HE3 LYS 45 HE1 LYS 45 76.525 -11.302 -13.669 376 HZ1 LYS 45 HZ1 LYS 45 76.165 -12.955 -11.259 377 HZ2 LYS 45 HZ2 LYS 45 77.667 -12.226 -11.575 378 HZ3 LYS 45 HZ3 LYS 45 76.999 -13.319 -12.691 379 H GLY 46 HN GLY 46 78.716 -8.220 -9.974 380 HA2 GLY 46 HA2 GLY 46 79.258 -6.160 -8.986 381 HA3 GLY 46 HA1 GLY 46 78.878 -6.980 -7.470 382 H VAL 47 HN VAL 47 81.509 -7.837 -9.685 383 HA VAL 47 HA VAL 47 83.822 -7.950 -9.313 384 HB VAL 47 HB VAL 47 83.438 -5.656 -7.383 385 HG11 VAL 47 HG11 VAL 47 85.700 -6.588 -7.574 386 HG12 VAL 47 HG12 VAL 47 85.643 -4.989 -8.316 387 HG13 VAL 47 HG13 VAL 47 85.632 -6.432 -9.329 388 HG21 VAL 47 HG21 VAL 47 83.326 -5.680 -10.407 389 HG22 VAL 47 HG22 VAL 47 83.731 -4.228 -9.491 390 HG23 VAL 47 HG23 VAL 47 82.154 -4.989 -9.285 391 H GLN 48 HN GLN 48 85.411 -8.608 -7.673 392 HA GLN 48 HA GLN 48 84.079 -9.746 -5.245 393 HB2 GLN 48 HB2 GLN 48 86.758 -10.646 -6.284 394 HB3 GLN 48 HB1 GLN 48 85.571 -11.550 -5.342 395 HG2 GLN 48 HG2 GLN 48 84.021 -11.389 -7.345 396 HG3 GLN 48 HG1 GLN 48 85.394 -10.765 -8.259 397 HE21 GLN 48 HE21 GLN 48 87.179 -12.241 -8.711 398 HE22 GLN 48 HE22 GLN 48 87.018 -13.917 -8.496 399 H GLY 49 HN GLY 49 85.537 -7.027 -5.858 400 HA2 GLY 49 HA2 GLY 49 87.891 -6.986 -4.219 401 HA3 GLY 49 HA1 GLY 49 86.939 -5.570 -4.664 402 H1U RCY 50 H1U RCY 50 82.311 -2.945 3.097 403 H1S RCY 50 H1S RCY 50 85.264 -5.241 1.478 404 HB1 RCY 50 HB1 RCY 50 87.761 -7.672 0.367 405 HB2 RCY 50 HB2 RCY 50 86.290 -8.175 -0.466 406 HA RCY 50 HA RCY 50 85.596 -5.729 -0.475 407 HN1 RCY 50 HN1 RCY 50 88.060 -5.920 -2.074 408 H GLY 51 HN GLY 51 88.001 -4.088 -1.339 409 HA2 GLY 51 HA2 GLY 51 89.364 -2.440 -0.378 410 HA3 GLY 51 HA1 GLY 51 88.323 -2.565 1.040 411 H ASP 52 HN ASP 52 88.830 -4.316 2.595 412 HA ASP 52 HA ASP 52 90.402 -5.324 4.022 413 HB2 ASP 52 HB2 ASP 52 91.331 -6.163 1.270 414 HB3 ASP 52 HB1 ASP 52 92.125 -6.737 2.737 415 H ASP 53 HN ASP 53 90.904 -2.652 3.821 416 HA ASP 53 HA ASP 53 93.771 -2.536 4.288 417 HB2 ASP 53 HB2 ASP 53 93.799 -2.396 1.842 418 HB3 ASP 53 HB1 ASP 53 92.620 -1.084 1.885 419 H ILE 54 HN ILE 54 91.926 0.175 3.007 420 HA ILE 54 HA ILE 54 92.308 1.637 5.494 421 HB ILE 54 HB ILE 54 92.413 2.835 3.372 422 HG12 ILE 54 HG12 ILE 54 89.859 3.621 4.804 423 HG13 ILE 54 HG11 ILE 54 91.470 3.958 5.439 424 HG21 ILE 54 HG21 ILE 54 90.683 1.218 2.319 425 HG22 ILE 54 HG22 ILE 54 90.636 2.908 1.817 426 HG23 ILE 54 HG23 ILE 54 89.468 2.305 2.992 427 HD11 ILE 54 HD11 ILE 54 90.606 5.902 4.199 428 HD12 ILE 54 HD12 ILE 54 90.395 4.899 2.764 429 HD13 ILE 54 HD13 ILE 54 92.014 5.220 3.385 430 HA PRO 55 HA PRO 55 88.365 0.130 7.081 431 HB2 PRO 55 HB2 PRO 55 88.501 1.261 9.544 432 HB3 PRO 55 HB1 PRO 55 89.497 -0.137 9.095 433 HG2 PRO 55 HG2 PRO 55 90.251 2.738 9.246 434 HG3 PRO 55 HG1 PRO 55 91.170 1.302 9.726 435 HD2 PRO 55 HD2 PRO 55 91.562 2.663 7.348 436 HD3 PRO 55 HD1 PRO 55 91.981 0.954 7.598 437 H GLY 56 HN GLY 56 86.946 1.841 8.968 438 HA2 GLY 56 HA2 GLY 56 85.570 3.556 7.093 439 HA3 GLY 56 HA1 GLY 56 85.274 3.491 8.832 440 H MET 57 HN MET 57 88.454 4.133 7.456 441 HA MET 57 HA MET 57 89.868 5.978 7.780 442 HB2 MET 57 HB2 MET 57 88.391 6.897 6.035 443 HB3 MET 57 HB1 MET 57 87.250 7.428 7.270 444 HG2 MET 57 HG2 MET 57 88.708 9.291 6.545 445 HG3 MET 57 HG1 MET 57 88.972 8.898 8.244 446 HE1 MET 57 HE1 MET 57 91.777 8.595 4.714 447 HE2 MET 57 HE2 MET 57 90.766 9.950 5.213 448 HE3 MET 57 HE3 MET 57 90.015 8.460 4.647 449 H GLU 58 HN GLU 58 87.126 7.779 9.026 450 HA GLU 58 HA GLU 58 88.507 7.931 11.660 451 HB2 GLU 58 HB2 GLU 58 87.964 10.066 10.559 452 HB3 GLU 58 HB1 GLU 58 86.263 9.607 10.488 453 HG2 GLU 58 HG2 GLU 58 87.703 9.609 13.129 454 HG3 GLU 58 HG1 GLU 58 87.088 11.121 12.462 455 H GLY 59 HN GLY 59 85.711 6.619 10.109 456 HA2 GLY 59 HA2 GLY 59 84.693 4.737 11.519 457 HA3 GLY 59 HA1 GLY 59 84.511 5.966 12.773 458 H1U RCY 60 H1U RCY 60 77.906 3.505 5.545 459 H1S RCY 60 H1S RCY 60 79.510 5.130 8.899 460 HB1 RCY 60 HB1 RCY 60 79.380 6.048 12.843 461 HB2 RCY 60 HB2 RCY 60 80.090 4.641 12.055 462 HA RCY 60 HA RCY 60 80.803 6.420 10.227 463 HN1 RCY 60 HN1 RCY 60 82.197 5.772 12.760 464 H GLY 61 HN GLY 61 81.982 7.998 13.025 465 HA2 GLY 61 HA2 GLY 61 80.096 10.058 13.438 466 HA3 GLY 61 HA1 GLY 61 81.835 10.253 13.674 467 H THR 62 HN THR 62 82.640 9.748 10.989 468 HA THR 62 HA THR 62 82.562 12.293 9.825 469 HB THR 62 HB THR 62 84.135 10.998 8.754 470 HG1 THR 62 HG1 THR 62 83.409 11.301 6.828 471 HG21 THR 62 HG21 THR 62 82.132 8.762 9.071 472 HG22 THR 62 HG22 THR 62 83.730 8.913 9.804 473 HG23 THR 62 HG23 THR 62 83.578 8.576 8.079 474 H ASP 63 HN ASP 63 80.857 13.423 9.088 475 HA ASP 63 HA ASP 63 78.274 12.215 8.631 476 HB2 ASP 63 HB2 ASP 63 77.746 14.534 7.670 477 HB3 ASP 63 HB1 ASP 63 78.272 14.487 9.353 478 H ILE 64 HN ILE 64 79.914 10.764 7.032 479 HA ILE 64 HA ILE 64 80.443 10.169 4.815 480 HB ILE 64 HB ILE 64 78.074 9.559 4.951 481 HG12 ILE 64 HG12 ILE 64 78.277 10.955 2.305 482 HG13 ILE 64 HG11 ILE 64 79.468 9.714 2.698 483 HG21 ILE 64 HG21 ILE 64 77.088 11.656 5.618 484 HG22 ILE 64 HG22 ILE 64 76.383 11.219 4.062 485 HG23 ILE 64 HG23 ILE 64 77.646 12.447 4.143 486 HD11 ILE 64 HD11 ILE 64 76.454 9.380 2.677 487 HD12 ILE 64 HD12 ILE 64 77.590 8.146 3.222 488 HD13 ILE 64 HD13 ILE 64 77.599 8.670 1.538 489 H THR 65 HN THR 65 80.644 13.227 5.622 490 HA THR 65 HA THR 65 80.750 15.305 4.368 491 HB THR 65 HB THR 65 83.032 14.658 4.655 492 HG1 THR 65 HG1 THR 65 83.731 14.951 2.254 493 HG21 THR 65 HG21 THR 65 82.999 12.333 4.184 494 HG22 THR 65 HG22 THR 65 84.053 13.025 2.951 495 HG23 THR 65 HG23 THR 65 82.392 12.592 2.549 496 H VAL 66 HN VAL 66 78.626 13.964 3.256 497 HA VAL 66 HA VAL 66 77.351 13.994 1.284 498 HB VAL 66 HB VAL 66 79.710 15.026 -0.278 499 HG11 VAL 66 HG11 VAL 66 77.934 16.281 -1.432 500 HG12 VAL 66 HG12 VAL 66 76.743 15.664 -0.287 501 HG13 VAL 66 HG13 VAL 66 77.551 14.559 -1.400 502 HG21 VAL 66 HG21 VAL 66 78.577 17.332 0.562 503 HG22 VAL 66 HG22 VAL 66 79.960 16.601 1.376 504 HG23 VAL 66 HG23 VAL 66 78.331 16.347 2.005 505 H ILE 67 HN ILE 67 80.743 13.031 0.918 506 HA ILE 67 HA ILE 67 79.829 10.477 -0.305 507 HB ILE 67 HB ILE 67 81.920 12.365 -1.406 508 HG12 ILE 67 HG12 ILE 67 79.786 10.772 -2.841 509 HG13 ILE 67 HG11 ILE 67 79.463 12.366 -2.156 510 HG21 ILE 67 HG21 ILE 67 81.659 9.375 -1.720 511 HG22 ILE 67 HG22 ILE 67 83.107 10.319 -1.368 512 HG23 ILE 67 HG23 ILE 67 82.393 10.366 -2.980 513 HD11 ILE 67 HD11 ILE 67 80.076 12.624 -4.500 514 HD12 ILE 67 HD12 ILE 67 81.553 11.693 -4.248 515 HD13 ILE 67 HD13 ILE 67 81.369 13.277 -3.493 516 H1U RCY 68 H1U RCY 68 75.973 3.814 2.135 517 H1S RCY 68 H1S RCY 68 79.454 5.849 3.113 518 HB1 RCY 68 HB1 RCY 68 80.741 8.039 3.541 519 HB2 RCY 68 HB2 RCY 68 82.327 7.348 3.886 520 HA RCY 68 HA RCY 68 82.686 9.588 3.062 521 HN1 RCY 68 HN1 RCY 68 80.451 9.092 1.336 522 HA PRO 69 HA PRO 69 85.780 8.641 -0.016 523 HB2 PRO 69 HB2 PRO 69 87.950 8.529 1.722 524 HB3 PRO 69 HB1 PRO 69 87.300 10.001 0.981 525 HG2 PRO 69 HG2 PRO 69 86.932 8.937 3.717 526 HG3 PRO 69 HG1 PRO 69 86.978 10.613 3.150 527 HD2 PRO 69 HD2 PRO 69 84.657 9.302 3.841 528 HD3 PRO 69 HD1 PRO 69 84.719 10.658 2.695 529 H TRP 70 HN TRP 70 85.711 6.681 2.983 530 HA TRP 70 HA TRP 70 87.290 4.563 1.794 531 HD1 TRP 70 HD1 TRP 70 86.482 6.986 4.595 532 HE1 TRP 70 HE1 TRP 70 84.458 7.716 6.013 533 HE3 TRP 70 HE3 TRP 70 83.811 2.634 4.623 534 HZ2 TRP 70 HZ2 TRP 70 82.023 6.599 7.027 535 HZ3 TRP 70 HZ3 TRP 70 81.649 2.494 5.819 536 HH2 TRP 70 HH2 TRP 70 80.750 4.467 7.020 537 HB2 TRP 70 HB2 TRP 70 86.085 3.228 3.767 538 HB3 TRP 70 HB1 TRP 70 87.379 4.375 4.094 539 H GLU 71 HN GLU 71 85.277 5.276 -0.027 540 HA GLU 71 HA GLU 71 84.083 2.673 -0.497 541 HB2 GLU 71 HB2 GLU 71 82.159 2.992 0.650 542 HB3 GLU 71 HB1 GLU 71 82.609 4.641 1.015 543 HG2 GLU 71 HG2 GLU 71 80.610 4.863 -0.247 544 HG3 GLU 71 HG1 GLU 71 81.895 5.192 -1.409 545 H ALA 72 HN ALA 72 85.262 5.591 -1.501 546 HA ALA 72 HA ALA 72 83.698 6.099 -3.860 547 HB1 ALA 72 HB1 ALA 72 85.626 7.453 -4.588 548 HB2 ALA 72 HB2 ALA 72 86.610 6.744 -3.308 549 HB3 ALA 72 HB3 ALA 72 85.239 7.774 -2.897 550 H1U RCY 73 H1U RCY 73 80.513 -2.183 -1.788 551 H1S RCY 73 H1S RCY 73 84.090 -0.203 -1.540 552 HB1 RCY 73 HB1 RCY 73 85.262 0.311 -5.435 553 HB2 RCY 73 HB2 RCY 73 83.789 1.078 -4.841 554 HA RCY 73 HA RCY 73 86.467 2.439 -5.269 555 HN1 RCY 73 HN1 RCY 73 84.339 3.274 -3.573 556 H ASN 74 HN ASN 74 83.131 3.394 -5.991 557 HA ASN 74 HA ASN 74 82.110 3.907 -8.038 558 HB2 ASN 74 HB2 ASN 74 84.352 5.262 -8.133 559 HB3 ASN 74 HB1 ASN 74 84.843 4.036 -9.301 560 HD21 ASN 74 HD21 ASN 74 82.549 6.681 -8.727 561 HD22 ASN 74 HD22 ASN 74 82.008 6.792 -10.332 562 H HIS 75 HN HIS 75 81.777 1.379 -7.695 563 HA HIS 75 HA HIS 75 82.078 0.179 -10.321 564 HD1 HIS 75 HD1 HIS 75 85.963 0.382 -9.641 565 HD2 HIS 75 HD2 HIS 75 83.285 -1.938 -11.843 566 HE1 HIS 75 HE1 HIS 75 86.961 0.142 -11.957 567 HE2 HIS 75 HE2 HIS 75 85.341 -1.268 -13.307 568 HB2 HIS 75 HB2 HIS 75 84.058 -0.393 -8.235 569 HB3 HIS 75 HB1 HIS 75 83.261 -1.856 -8.807 570 H1U RCY 76 H1U RCY 76 79.714 -3.458 -0.893 571 H1S RCY 76 H1S RCY 76 79.160 -2.236 -4.749 572 HB1 RCY 76 HB1 RCY 76 80.099 -1.947 -6.650 573 HB2 RCY 76 HB2 RCY 76 80.353 -3.689 -6.588 574 HA RCY 76 HA RCY 76 79.980 -3.967 -8.855 575 HN1 RCY 76 HN1 RCY 76 81.719 -2.530 -9.477 576 H GLU 77 HN GLU 77 79.424 -0.809 -9.895 577 HA GLU 77 HA GLU 77 76.590 -0.585 -9.661 578 HB2 GLU 77 HB2 GLU 77 76.867 0.830 -11.812 579 HB3 GLU 77 HB1 GLU 77 77.714 1.373 -10.365 580 HG2 GLU 77 HG2 GLU 77 79.770 0.928 -11.245 581 HG3 GLU 77 HG1 GLU 77 79.218 -0.549 -12.036 582 H LEU 78 HN LEU 78 75.275 -2.248 -10.310 583 HA LEU 78 HA LEU 78 75.973 -3.930 -12.595 584 HG LEU 78 HG LEU 78 73.286 -4.939 -13.247 585 HB2 LEU 78 HB2 LEU 78 74.760 -4.813 -10.598 586 HB3 LEU 78 HB1 LEU 78 73.382 -3.799 -11.019 587 HD11 LEU 78 HD11 LEU 78 75.621 -6.372 -12.028 588 HD12 LEU 78 HD12 LEU 78 75.395 -5.814 -13.686 589 HD13 LEU 78 HD13 LEU 78 74.555 -7.258 -13.119 590 HD21 LEU 78 HD21 LEU 78 72.447 -7.132 -12.328 591 HD22 LEU 78 HD22 LEU 78 71.805 -5.717 -11.494 592 HD23 LEU 78 HD23 LEU 78 73.100 -6.662 -10.758 593 H HIS 79 HN HIS 79 72.640 -3.005 -12.376 594 HA HIS 79 HA HIS 79 72.696 -0.857 -14.293 595 HD1 HIS 79 HD1 HIS 79 71.099 -3.850 -13.317 596 HD2 HIS 79 HD2 HIS 79 71.847 -4.988 -17.260 597 HE1 HIS 79 HE1 HIS 79 70.115 -6.168 -13.592 598 HE2 HIS 79 HE2 HIS 79 70.564 -6.873 -15.987 599 HB2 HIS 79 HB2 HIS 79 71.875 -2.039 -16.260 600 HB3 HIS 79 HB1 HIS 79 73.410 -2.750 -15.763 601 H GLU 80 HN GLU 80 71.301 -0.662 -12.124 602 HA GLU 80 HA GLU 80 68.511 -0.849 -13.006 603 HB2 GLU 80 HB2 GLU 80 67.759 -2.106 -11.007 604 HB3 GLU 80 HB1 GLU 80 68.830 -3.072 -12.021 605 HG2 GLU 80 HG2 GLU 80 70.716 -2.082 -10.470 606 HG3 GLU 80 HG1 GLU 80 69.380 -1.814 -9.349 607 H LEU 81 HN LEU 81 70.342 -0.421 -9.943 608 HA LEU 81 HA LEU 81 68.733 2.035 -9.437 609 HG LEU 81 HG LEU 81 71.414 -0.062 -8.467 610 HB2 LEU 81 HB2 LEU 81 69.624 1.888 -7.144 611 HB3 LEU 81 HB1 LEU 81 68.852 0.376 -7.616 612 HD11 LEU 81 HD11 LEU 81 72.269 2.006 -7.512 613 HD12 LEU 81 HD12 LEU 81 72.873 0.651 -6.558 614 HD13 LEU 81 HD13 LEU 81 71.536 1.629 -5.953 615 HD21 LEU 81 HD21 LEU 81 70.287 -0.586 -5.697 616 HD22 LEU 81 HD22 LEU 81 71.636 -1.453 -6.431 617 HD23 LEU 81 HD23 LEU 81 70.019 -1.590 -7.122 618 H ALA 82 HN ALA 82 71.677 1.144 -10.767 619 HA ALA 82 HA ALA 82 73.395 3.202 -9.708 620 HB1 ALA 82 HB1 ALA 82 73.469 1.695 -12.338 621 HB2 ALA 82 HB2 ALA 82 74.348 1.284 -10.865 622 HB3 ALA 82 HB3 ALA 82 74.761 2.747 -11.759 623 H GLN 83 HN GLN 83 70.764 4.242 -10.470 624 HA GLN 83 HA GLN 83 70.608 5.557 -12.925 625 HB2 GLN 83 HB2 GLN 83 69.851 6.540 -10.162 626 HB3 GLN 83 HB1 GLN 83 69.430 7.406 -11.641 627 HG2 GLN 83 HG2 GLN 83 68.751 4.487 -11.287 628 HG3 GLN 83 HG1 GLN 83 67.679 5.756 -10.695 629 HE21 GLN 83 HE21 GLN 83 66.271 4.596 -12.493 630 HE22 GLN 83 HE22 GLN 83 66.387 5.252 -14.054 631 H TYR 84 HN TYR 84 72.742 6.192 -10.245 632 HA TYR 84 HA TYR 84 74.507 7.805 -11.848 633 HD1 TYR 84 HD1 TYR 84 75.178 9.966 -12.608 634 HD2 TYR 84 HD2 TYR 84 70.996 9.986 -11.630 635 HE1 TYR 84 HE1 TYR 84 74.676 11.059 -14.777 636 HE2 TYR 84 HE2 TYR 84 70.494 11.078 -13.799 637 HH TYR 84 HH TYR 84 72.103 12.677 -15.467 638 HB2 TYR 84 HB2 TYR 84 72.523 9.177 -10.070 639 HB3 TYR 84 HB1 TYR 84 74.163 9.823 -10.125 640 H GLY 85 HN GLY 85 74.222 5.572 -9.757 641 HA2 GLY 85 HA2 GLY 85 75.796 4.671 -8.238 642 HA3 GLY 85 HA1 GLY 85 76.725 6.165 -8.372 643 H ILE 86 HN ILE 86 75.499 8.127 -7.368 644 HA ILE 86 HA ILE 86 74.767 9.139 -5.397 645 HB ILE 86 HB ILE 86 72.771 7.306 -6.239 646 HG12 ILE 86 HG12 ILE 86 72.625 9.795 -5.854 647 HG13 ILE 86 HG11 ILE 86 71.270 8.889 -5.179 648 HG21 ILE 86 HG21 ILE 86 73.448 5.944 -4.246 649 HG22 ILE 86 HG22 ILE 86 71.788 6.532 -4.152 650 HG23 ILE 86 HG23 ILE 86 73.057 7.325 -3.219 651 HD11 ILE 86 HD11 ILE 86 73.713 9.581 -3.540 652 HD12 ILE 86 HD12 ILE 86 72.134 9.045 -2.965 653 HD13 ILE 86 HD13 ILE 86 72.322 10.659 -3.652 654 H1U RCY 87 H1U RCY 87 78.633 2.392 1.017 655 H1S RCY 87 H1S RCY 87 76.551 3.401 -2.286 656 HB1 RCY 87 HB1 RCY 87 78.747 4.669 -3.167 657 HB2 RCY 87 HB2 RCY 87 78.515 5.367 -4.767 658 HA RCY 87 HA RCY 87 76.300 5.368 -2.712 659 HN1 RCY 87 HN1 RCY 87 76.409 6.250 -5.395 Start of MODEL 89 1 HA MET 1 HA MET 1 51.168 9.637 -4.592 2 HB2 MET 1 HB2 MET 1 50.862 7.118 -6.238 3 HB3 MET 1 HB1 MET 1 49.499 7.868 -5.407 4 HG2 MET 1 HG2 MET 1 51.297 9.415 -7.282 5 HG3 MET 1 HG1 MET 1 49.851 8.574 -7.840 6 HE1 MET 1 HE1 MET 1 49.826 11.113 -8.685 7 HE2 MET 1 HE2 MET 1 50.788 11.999 -7.504 8 HE3 MET 1 HE3 MET 1 49.100 12.435 -7.763 9 H ASN 2 HN ASN 2 53.246 7.877 -3.168 10 HA ASN 2 HA ASN 2 51.514 6.040 -1.634 11 HB2 ASN 2 HB2 ASN 2 53.751 5.693 -0.361 12 HB3 ASN 2 HB1 ASN 2 53.651 5.115 -2.024 13 HD21 ASN 2 HD21 ASN 2 55.128 5.993 -3.521 14 HD22 ASN 2 HD22 ASN 2 56.171 7.288 -3.182 15 H LEU 3 HN LEU 3 50.164 7.835 -0.769 16 HA LEU 3 HA LEU 3 51.404 9.771 1.027 17 HG LEU 3 HG LEU 3 48.463 7.759 0.563 18 HB2 LEU 3 HB2 LEU 3 49.160 10.535 1.461 19 HB3 LEU 3 HB1 LEU 3 49.256 10.158 -0.257 20 HD11 LEU 3 HD11 LEU 3 46.711 9.059 2.468 21 HD12 LEU 3 HD12 LEU 3 48.395 9.237 2.961 22 HD13 LEU 3 HD13 LEU 3 47.722 7.631 2.687 23 HD21 LEU 3 HD21 LEU 3 46.060 8.631 0.334 24 HD22 LEU 3 HD22 LEU 3 47.152 8.998 -1.001 25 HD23 LEU 3 HD23 LEU 3 46.770 10.239 0.192 26 H GLU 4 HN GLU 4 49.661 6.703 1.367 27 HA GLU 4 HA GLU 4 49.658 6.817 4.273 28 HB2 GLU 4 HB2 GLU 4 48.284 5.343 2.390 29 HB3 GLU 4 HB1 GLU 4 49.427 4.154 3.009 30 HG2 GLU 4 HG2 GLU 4 47.728 5.888 4.820 31 HG3 GLU 4 HG1 GLU 4 47.214 4.294 4.266 32 HA PRO 5 HA PRO 5 54.025 5.913 4.810 33 HB2 PRO 5 HB2 PRO 5 52.866 4.396 7.131 34 HB3 PRO 5 HB1 PRO 5 54.279 5.471 7.085 35 HG2 PRO 5 HG2 PRO 5 51.919 6.291 8.029 36 HG3 PRO 5 HG1 PRO 5 52.995 7.376 7.133 37 HD2 PRO 5 HD2 PRO 5 50.410 6.202 6.289 38 HD3 PRO 5 HD1 PRO 5 51.250 7.639 5.669 39 HA PRO 6 HA PRO 6 54.160 1.818 2.996 40 HB2 PRO 6 HB2 PRO 6 56.856 1.417 3.044 41 HB3 PRO 6 HB1 PRO 6 56.074 2.540 1.913 42 HG2 PRO 6 HG2 PRO 6 57.504 3.123 4.458 43 HG3 PRO 6 HG1 PRO 6 57.533 4.000 2.920 44 HD2 PRO 6 HD2 PRO 6 56.036 4.802 5.082 45 HD3 PRO 6 HD1 PRO 6 55.601 5.174 3.399 46 H LYS 7 HN LYS 7 54.930 -0.418 3.554 47 HA LYS 7 HA LYS 7 54.235 -1.328 6.060 48 HB2 LYS 7 HB2 LYS 7 56.518 -2.448 4.406 49 HB3 LYS 7 HB1 LYS 7 55.603 -3.317 5.637 50 HG2 LYS 7 HG2 LYS 7 54.296 -3.981 3.897 51 HG3 LYS 7 HG1 LYS 7 53.590 -2.370 4.028 52 HD2 LYS 7 HD2 LYS 7 55.517 -1.620 2.469 53 HD3 LYS 7 HD1 LYS 7 55.714 -3.337 2.118 54 HE2 LYS 7 HE2 LYS 7 54.218 -2.336 0.463 55 HE3 LYS 7 HE1 LYS 7 53.307 -3.449 1.483 56 HZ1 LYS 7 HZ1 LYS 7 52.196 -1.770 2.493 57 HZ2 LYS 7 HZ2 LYS 7 52.483 -1.008 1.002 58 HZ3 LYS 7 HZ3 LYS 7 53.472 -0.663 2.340 59 H ALA 8 HN ALA 8 57.617 -1.918 5.613 60 HA ALA 8 HA ALA 8 59.452 -1.516 7.011 61 HB1 ALA 8 HB1 ALA 8 58.002 1.085 7.584 62 HB2 ALA 8 HB2 ALA 8 59.047 0.809 6.190 63 HB3 ALA 8 HB3 ALA 8 59.720 0.765 7.819 64 H GLU 9 HN GLU 9 56.881 0.153 8.855 65 HA GLU 9 HA GLU 9 56.196 -0.143 11.076 66 HB2 GLU 9 HB2 GLU 9 56.797 -3.012 10.298 67 HB3 GLU 9 HB1 GLU 9 56.009 -2.553 11.806 68 HG2 GLU 9 HG2 GLU 9 54.180 -1.508 10.588 69 HG3 GLU 9 HG1 GLU 9 54.991 -1.807 9.050 70 H1U RCY 10 H1U RCY 10 62.413 -5.632 7.925 71 H1S RCY 10 H1S RCY 10 61.792 -3.747 11.480 72 HB1 RCY 10 HB1 RCY 10 61.346 -1.974 13.335 73 HB2 RCY 10 HB2 RCY 10 60.376 -2.145 11.873 74 HA RCY 10 HA RCY 10 58.974 -2.283 14.513 75 HN1 RCY 10 HN1 RCY 10 57.252 -2.153 12.930 76 H ARG 11 HN ARG 11 59.131 -0.655 15.956 77 HA ARG 11 HA ARG 11 59.381 1.526 16.805 78 HE ARG 11 HE ARG 11 63.296 0.653 18.247 79 HB2 ARG 11 HB2 ARG 11 61.781 0.536 16.018 80 HB3 ARG 11 HB1 ARG 11 61.718 1.985 15.017 81 HG2 ARG 11 HG2 ARG 11 61.250 3.348 17.033 82 HG3 ARG 11 HG1 ARG 11 61.357 1.895 18.027 83 HD2 ARG 11 HD2 ARG 11 63.617 2.739 16.211 84 HD3 ARG 11 HD1 ARG 11 63.476 3.350 17.860 85 HH11 ARG 11 HH21 ARG 11 65.398 2.671 16.406 86 HH12 ARG 11 HH22 ARG 11 66.763 1.616 16.558 87 HH21 ARG 11 HH11 ARG 11 65.066 -0.738 18.457 88 HH22 ARG 11 HH12 ARG 11 66.575 -0.314 17.719 89 H SER 12 HN SER 12 60.442 3.853 15.573 90 HA SER 12 HA SER 12 59.399 4.411 12.990 91 HG SER 12 HG SER 12 57.702 6.810 14.435 92 HB2 SER 12 HB2 SER 12 57.177 4.141 13.664 93 HB3 SER 12 HB1 SER 12 57.492 4.741 15.289 94 H ALA 13 HN ALA 13 60.891 5.249 15.864 95 HA ALA 13 HA ALA 13 60.957 8.159 15.247 96 HB1 ALA 13 HB1 ALA 13 62.286 6.717 17.556 97 HB2 ALA 13 HB2 ALA 13 60.620 7.295 17.616 98 HB3 ALA 13 HB3 ALA 13 61.944 8.442 17.419 99 H THR 14 HN THR 14 62.676 5.342 14.545 100 HA THR 14 HA THR 14 64.857 6.882 13.361 101 HB THR 14 HB THR 14 65.704 4.793 15.361 102 HG1 THR 14 HG1 THR 14 64.396 6.489 16.352 103 HG21 THR 14 HG21 THR 14 67.120 7.310 14.485 104 HG22 THR 14 HG22 THR 14 67.200 5.825 13.535 105 HG23 THR 14 HG23 THR 14 67.817 5.849 15.188 106 H ARG 15 HN ARG 15 62.697 4.783 12.788 107 HA ARG 15 HA ARG 15 64.256 2.444 11.942 108 HE ARG 15 HE ARG 15 64.648 0.474 12.787 109 HB2 ARG 15 HB2 ARG 15 61.850 2.339 12.746 110 HB3 ARG 15 HB1 ARG 15 61.393 3.121 11.236 111 HG2 ARG 15 HG2 ARG 15 61.166 0.861 10.682 112 HG3 ARG 15 HG1 ARG 15 62.808 1.200 10.133 113 HD2 ARG 15 HD2 ARG 15 62.313 0.234 12.941 114 HD3 ARG 15 HD1 ARG 15 62.404 -0.913 11.605 115 HH11 ARG 15 HH21 ARG 15 63.288 -0.732 9.858 116 HH12 ARG 15 HH22 ARG 15 64.821 -0.970 9.088 117 HH21 ARG 15 HH11 ARG 15 66.658 0.170 11.799 118 HH22 ARG 15 HH12 ARG 15 66.729 -0.459 10.187 119 H VAL 16 HN VAL 16 61.922 4.257 9.980 120 HA VAL 16 HA VAL 16 63.804 4.043 7.692 121 HB VAL 16 HB VAL 16 60.897 4.910 7.787 122 HG11 VAL 16 HG11 VAL 16 61.133 5.455 5.616 123 HG12 VAL 16 HG12 VAL 16 61.843 3.880 5.263 124 HG13 VAL 16 HG13 VAL 16 62.872 5.214 5.785 125 HG21 VAL 16 HG21 VAL 16 62.241 2.263 7.192 126 HG22 VAL 16 HG22 VAL 16 60.588 2.624 6.695 127 HG23 VAL 16 HG23 VAL 16 61.008 2.597 8.408 128 H MET 17 HN MET 17 61.742 6.496 6.987 129 HA MET 17 HA MET 17 63.747 8.512 6.960 130 HB2 MET 17 HB2 MET 17 60.723 8.719 6.914 131 HB3 MET 17 HB1 MET 17 61.801 10.088 6.639 132 HG2 MET 17 HG2 MET 17 62.705 9.118 4.665 133 HG3 MET 17 HG1 MET 17 62.025 7.535 5.041 134 HE1 MET 17 HE1 MET 17 61.502 9.170 2.077 135 HE2 MET 17 HE2 MET 17 60.036 8.199 1.952 136 HE3 MET 17 HE3 MET 17 61.479 7.514 2.696 137 H GLY 18 HN GLY 18 63.919 10.433 8.290 138 HA2 GLY 18 HA2 GLY 18 62.620 10.272 10.965 139 HA3 GLY 18 HA1 GLY 18 64.378 10.395 10.880 140 H GLY 19 HN GLY 19 61.645 12.008 9.222 141 HA2 GLY 19 HA2 GLY 19 61.103 14.321 9.239 142 HA3 GLY 19 HA1 GLY 19 62.495 14.611 10.285 143 HA PRO 20 HA PRO 20 63.265 16.042 5.804 144 HB2 PRO 20 HB2 PRO 20 64.301 18.366 7.367 145 HB3 PRO 20 HB1 PRO 20 63.325 18.347 5.887 146 HG2 PRO 20 HG2 PRO 20 62.265 18.969 8.248 147 HG3 PRO 20 HG1 PRO 20 61.354 18.056 7.032 148 HD2 PRO 20 HD2 PRO 20 62.634 17.076 9.555 149 HD3 PRO 20 HD1 PRO 20 61.149 16.518 8.752 150 H1U RCY 21 H1U RCY 21 69.680 7.419 3.030 151 H1S RCY 21 H1S RCY 21 67.388 11.268 4.908 152 HB1 RCY 21 HB1 RCY 21 66.405 12.474 6.028 153 HB2 RCY 21 HB2 RCY 21 66.903 12.565 7.715 154 HA RCY 21 HA RCY 21 67.443 14.865 7.549 155 HN1 RCY 21 HN1 RCY 21 64.860 14.120 6.486 156 H THR 22 HN THR 22 68.291 16.615 6.359 157 HA THR 22 HA THR 22 69.266 15.898 3.645 158 HB THR 22 HB THR 22 67.458 17.134 2.881 159 HG1 THR 22 HG1 THR 22 68.300 19.023 2.219 160 HG21 THR 22 HG21 THR 22 66.814 19.305 4.221 161 HG22 THR 22 HG22 THR 22 67.683 18.513 5.536 162 HG23 THR 22 HG23 THR 22 66.285 17.727 4.803 163 HA PRO 23 HA PRO 23 72.649 17.734 6.172 164 HB2 PRO 23 HB2 PRO 23 74.276 16.520 4.005 165 HB3 PRO 23 HB1 PRO 23 74.420 16.328 5.762 166 HG2 PRO 23 HG2 PRO 23 73.478 14.381 4.183 167 HG3 PRO 23 HG1 PRO 23 72.888 14.629 5.834 168 HD2 PRO 23 HD2 PRO 23 71.565 15.326 3.237 169 HD3 PRO 23 HD1 PRO 23 70.836 14.776 4.763 170 H ARG 24 HN ARG 24 73.113 17.529 2.634 171 HA ARG 24 HA ARG 24 72.871 20.424 2.313 172 HE ARG 24 HE ARG 24 76.652 22.636 1.548 173 HB2 ARG 24 HB2 ARG 24 75.556 19.033 2.101 174 HB3 ARG 24 HB1 ARG 24 75.223 20.576 1.315 175 HG2 ARG 24 HG2 ARG 24 74.416 21.344 3.669 176 HG3 ARG 24 HG1 ARG 24 75.317 19.948 4.261 177 HD2 ARG 24 HD2 ARG 24 76.845 21.785 4.329 178 HD3 ARG 24 HD1 ARG 24 77.303 20.827 2.921 179 HH11 ARG 24 HH21 ARG 24 75.408 22.908 4.752 180 HH12 ARG 24 HH22 ARG 24 74.789 24.508 4.519 181 HH21 ARG 24 HH11 ARG 24 75.850 24.725 1.225 182 HH22 ARG 24 HH12 ARG 24 75.039 25.537 2.522 183 H LYS 25 HN LYS 25 75.042 19.299 0.059 184 HA LYS 25 HA LYS 25 72.858 18.355 -1.762 185 HB2 LYS 25 HB2 LYS 25 74.322 19.395 -3.596 186 HB3 LYS 25 HB1 LYS 25 73.451 20.518 -2.552 187 HG2 LYS 25 HG2 LYS 25 75.541 20.619 -1.107 188 HG3 LYS 25 HG1 LYS 25 76.374 19.745 -2.393 189 HD2 LYS 25 HD2 LYS 25 76.098 21.512 -3.935 190 HD3 LYS 25 HD1 LYS 25 74.824 22.267 -2.976 191 HE2 LYS 25 HE2 LYS 25 77.689 21.995 -2.031 192 HE3 LYS 25 HE1 LYS 25 77.059 23.434 -2.832 193 HZ1 LYS 25 HZ1 LYS 25 75.247 22.791 -0.847 194 HZ2 LYS 25 HZ2 LYS 25 76.330 24.099 -0.866 195 HZ3 LYS 25 HZ3 LYS 25 76.778 22.633 -0.133 196 H GLY 26 HN GLY 26 73.400 16.615 -3.120 197 HA2 GLY 26 HA2 GLY 26 75.605 14.950 -2.181 198 HA3 GLY 26 HA1 GLY 26 74.473 14.535 -3.469 199 HA PRO 27 HA PRO 27 78.944 16.233 -4.780 200 HB2 PRO 27 HB2 PRO 27 79.102 13.338 -5.551 201 HB3 PRO 27 HB1 PRO 27 80.391 14.427 -5.002 202 HG2 PRO 27 HG2 PRO 27 79.293 12.608 -3.381 203 HG3 PRO 27 HG1 PRO 27 79.841 14.185 -2.791 204 HD2 PRO 27 HD2 PRO 27 77.072 13.179 -3.141 205 HD3 PRO 27 HD1 PRO 27 77.679 14.468 -2.079 206 HA PRO 28 HA PRO 28 77.606 16.971 -8.936 207 HB2 PRO 28 HB2 PRO 28 80.063 15.467 -9.789 208 HB3 PRO 28 HB1 PRO 28 79.444 17.028 -10.366 209 HG2 PRO 28 HG2 PRO 28 81.472 16.855 -8.625 210 HG3 PRO 28 HG1 PRO 28 80.296 18.178 -8.579 211 HD2 PRO 28 HD2 PRO 28 80.652 15.943 -6.681 212 HD3 PRO 28 HD1 PRO 28 79.822 17.497 -6.447 213 H LYS 29 HN LYS 29 76.509 15.855 -10.635 214 HA LYS 29 HA LYS 29 75.361 13.375 -10.118 215 HB2 LYS 29 HB2 LYS 29 75.182 13.236 -12.727 216 HB3 LYS 29 HB1 LYS 29 74.372 14.557 -11.884 217 HG2 LYS 29 HG2 LYS 29 76.149 16.089 -12.404 218 HG3 LYS 29 HG1 LYS 29 77.174 14.786 -13.006 219 HD2 LYS 29 HD2 LYS 29 75.791 14.442 -14.916 220 HD3 LYS 29 HD1 LYS 29 74.487 15.418 -14.239 221 HE2 LYS 29 HE2 LYS 29 76.059 16.475 -16.049 222 HE3 LYS 29 HE1 LYS 29 75.609 17.432 -14.638 223 HZ1 LYS 29 HZ1 LYS 29 77.660 17.014 -13.619 224 HZ2 LYS 29 HZ2 LYS 29 78.045 17.374 -15.234 225 HZ3 LYS 29 HZ3 LYS 29 78.051 15.762 -14.696 226 H1U RCY 30 H1U RCY 30 84.431 11.980 -6.642 227 H1S RCY 30 H1S RCY 30 80.665 11.164 -8.509 228 HB1 RCY 30 HB1 RCY 30 79.587 9.516 -9.120 229 HB2 RCY 30 HB2 RCY 30 77.852 9.246 -8.979 230 HA RCY 30 HA RCY 30 79.318 11.190 -10.738 231 HN1 RCY 30 HN1 RCY 30 76.903 11.878 -9.335 232 H LYS 31 HN LYS 31 75.986 10.233 -11.093 233 HA LYS 31 HA LYS 31 76.178 7.736 -12.332 234 HB2 LYS 31 HB2 LYS 31 74.378 10.035 -13.156 235 HB3 LYS 31 HB1 LYS 31 74.120 8.335 -13.550 236 HG2 LYS 31 HG2 LYS 31 74.176 7.895 -11.028 237 HG3 LYS 31 HG1 LYS 31 74.045 9.643 -10.826 238 HD2 LYS 31 HD2 LYS 31 71.999 9.540 -12.341 239 HD3 LYS 31 HD1 LYS 31 72.072 7.785 -12.172 240 HE2 LYS 31 HE2 LYS 31 70.558 8.542 -10.483 241 HE3 LYS 31 HE1 LYS 31 72.064 8.159 -9.648 242 HZ1 LYS 31 HZ1 LYS 31 72.062 10.839 -10.593 243 HZ2 LYS 31 HZ2 LYS 31 72.282 10.256 -9.013 244 HZ3 LYS 31 HZ3 LYS 31 70.716 10.554 -9.601 245 H GLN 32 HN GLN 32 77.627 10.617 -13.356 246 HA GLN 32 HA GLN 32 77.545 10.136 -16.218 247 HB2 GLN 32 HB2 GLN 32 78.182 12.306 -14.733 248 HB3 GLN 32 HB1 GLN 32 79.804 11.689 -15.042 249 HG2 GLN 32 HG2 GLN 32 77.701 12.371 -17.118 250 HG3 GLN 32 HG1 GLN 32 79.215 13.230 -16.827 251 HE21 GLN 32 HE21 GLN 32 77.838 10.228 -18.140 252 HE22 GLN 32 HE22 GLN 32 79.247 9.733 -18.946 253 H ARG 33 HN ARG 33 79.317 8.822 -13.598 254 HA ARG 33 HA ARG 33 81.577 7.931 -15.279 255 HE ARG 33 HE ARG 33 84.466 10.309 -11.263 256 HB2 ARG 33 HB2 ARG 33 80.868 7.461 -12.368 257 HB3 ARG 33 HB1 ARG 33 82.310 6.808 -13.145 258 HG2 ARG 33 HG2 ARG 33 83.205 8.977 -13.547 259 HG3 ARG 33 HG1 ARG 33 81.665 9.759 -13.188 260 HD2 ARG 33 HD2 ARG 33 82.149 9.849 -10.990 261 HD3 ARG 33 HD1 ARG 33 82.523 8.126 -10.953 262 HH11 ARG 33 HH21 ARG 33 83.691 6.966 -11.602 263 HH12 ARG 33 HH22 ARG 33 85.343 6.444 -11.574 264 HH21 ARG 33 HH11 ARG 33 86.627 9.646 -11.225 265 HH22 ARG 33 HH12 ARG 33 87.004 7.961 -11.361 266 H GLN 34 HN GLN 34 81.871 5.352 -13.994 267 HA GLN 34 HA GLN 34 79.445 3.815 -14.557 268 HB2 GLN 34 HB2 GLN 34 80.604 4.312 -16.813 269 HB3 GLN 34 HB1 GLN 34 81.865 3.210 -16.263 270 HG2 GLN 34 HG2 GLN 34 80.336 1.866 -17.511 271 HG3 GLN 34 HG1 GLN 34 80.001 1.520 -15.814 272 HE21 GLN 34 HE21 GLN 34 78.951 3.982 -18.252 273 HE22 GLN 34 HE22 GLN 34 77.310 3.913 -17.822 274 H THR 35 HN THR 35 81.851 1.736 -15.270 275 HA THR 35 HA THR 35 82.621 1.255 -12.422 276 HB THR 35 HB THR 35 80.793 -0.277 -12.842 277 HG1 THR 35 HG1 THR 35 83.050 -1.012 -12.076 278 HG21 THR 35 HG21 THR 35 81.488 -1.980 -14.858 279 HG22 THR 35 HG22 THR 35 82.099 -0.450 -15.486 280 HG23 THR 35 HG23 THR 35 80.396 -0.610 -15.058 281 H ARG 36 HN ARG 36 83.562 -1.380 -14.085 282 HA ARG 36 HA ARG 36 85.597 -2.083 -15.006 283 HE ARG 36 HE ARG 36 82.872 0.804 -18.650 284 HB2 ARG 36 HB2 ARG 36 86.116 0.763 -15.859 285 HB3 ARG 36 HB1 ARG 36 86.590 -0.734 -16.661 286 HG2 ARG 36 HG2 ARG 36 84.015 -1.160 -16.834 287 HG3 ARG 36 HG1 ARG 36 83.885 0.579 -16.564 288 HD2 ARG 36 HD2 ARG 36 85.594 0.845 -18.457 289 HD3 ARG 36 HD1 ARG 36 85.288 -0.852 -18.826 290 HH11 ARG 36 HH21 ARG 36 85.422 -0.492 -20.573 291 HH12 ARG 36 HH22 ARG 36 84.546 -0.360 -22.062 292 HH21 ARG 36 HH11 ARG 36 81.713 0.984 -20.582 293 HH22 ARG 36 HH12 ARG 36 82.446 0.476 -22.067 294 H GLN 37 HN GLN 37 85.440 0.528 -12.761 295 HA GLN 37 HA GLN 37 88.327 0.610 -12.259 296 HB2 GLN 37 HB2 GLN 37 85.897 1.973 -11.188 297 HB3 GLN 37 HB1 GLN 37 87.274 1.849 -10.095 298 HG2 GLN 37 HG2 GLN 37 87.643 2.807 -12.929 299 HG3 GLN 37 HG1 GLN 37 87.139 3.921 -11.658 300 HE21 GLN 37 HE21 GLN 37 89.842 3.336 -13.219 301 HE22 GLN 37 HE22 GLN 37 90.990 3.359 -11.969 302 H1U RCY 38 H1U RCY 38 85.873 -2.265 -4.623 303 H1S RCY 38 H1S RCY 38 84.261 -0.629 -8.632 304 HB1 RCY 38 HB1 RCY 38 85.988 -3.522 -8.720 305 HB2 RCY 38 HB2 RCY 38 85.779 -4.286 -10.296 306 HA RCY 38 HA RCY 38 88.003 -2.639 -9.293 307 HN1 RCY 38 HN1 RCY 38 87.363 -2.015 -12.113 308 H LYS 39 HN LYS 39 89.460 -4.288 -9.293 309 HA LYS 39 HA LYS 39 89.238 -6.524 -11.152 310 HB2 LYS 39 HB2 LYS 39 91.344 -6.164 -12.323 311 HB3 LYS 39 HB1 LYS 39 90.307 -4.758 -12.568 312 HG2 LYS 39 HG2 LYS 39 91.507 -3.789 -10.472 313 HG3 LYS 39 HG1 LYS 39 92.725 -5.025 -10.790 314 HD2 LYS 39 HD2 LYS 39 92.742 -4.135 -13.208 315 HD3 LYS 39 HD1 LYS 39 91.877 -2.737 -12.569 316 HE2 LYS 39 HE2 LYS 39 94.121 -2.066 -12.412 317 HE3 LYS 39 HE1 LYS 39 93.784 -2.671 -10.790 318 HZ1 LYS 39 HZ1 LYS 39 95.722 -3.563 -12.579 319 HZ2 LYS 39 HZ2 LYS 39 94.581 -4.812 -12.424 320 HZ3 LYS 39 HZ3 LYS 39 95.354 -4.188 -11.046 321 H SER 40 HN SER 40 90.728 -4.870 -8.498 322 HA SER 40 HA SER 40 92.636 -7.000 -7.889 323 HG SER 40 HG SER 40 92.279 -3.781 -7.805 324 HB2 SER 40 HB2 SER 40 91.654 -4.859 -5.993 325 HB3 SER 40 HB1 SER 40 93.191 -5.718 -5.953 326 H LYS 41 HN LYS 41 89.558 -7.389 -8.050 327 HA LYS 41 HA LYS 41 89.144 -8.549 -5.330 328 HB2 LYS 41 HB2 LYS 41 86.966 -8.397 -7.384 329 HB3 LYS 41 HB1 LYS 41 86.862 -8.253 -5.628 330 HG2 LYS 41 HG2 LYS 41 88.219 -6.074 -5.916 331 HG3 LYS 41 HG1 LYS 41 87.791 -6.189 -7.623 332 HD2 LYS 41 HD2 LYS 41 85.998 -4.943 -6.860 333 HD3 LYS 41 HD1 LYS 41 85.353 -6.568 -6.622 334 HE2 LYS 41 HE2 LYS 41 86.371 -6.455 -4.268 335 HE3 LYS 41 HE1 LYS 41 86.570 -4.727 -4.557 336 HZ1 LYS 41 HZ1 LYS 41 84.034 -5.121 -5.324 337 HZ2 LYS 41 HZ2 LYS 41 84.494 -4.613 -3.769 338 HZ3 LYS 41 HZ3 LYS 41 84.164 -6.253 -4.067 339 HA PRO 42 HA PRO 42 89.853 -12.335 -7.769 340 HB2 PRO 42 HB2 PRO 42 90.726 -13.890 -5.724 341 HB3 PRO 42 HB1 PRO 42 91.762 -12.674 -6.497 342 HG2 PRO 42 HG2 PRO 42 90.323 -12.554 -3.903 343 HG3 PRO 42 HG1 PRO 42 91.906 -11.900 -4.350 344 HD2 PRO 42 HD2 PRO 42 89.549 -10.410 -4.196 345 HD3 PRO 42 HD1 PRO 42 91.007 -9.922 -5.086 346 HA PRO 43 HA PRO 43 86.092 -14.510 -6.899 347 HB2 PRO 43 HB2 PRO 43 86.724 -17.064 -7.667 348 HB3 PRO 43 HB1 PRO 43 86.454 -15.740 -8.817 349 HG2 PRO 43 HG2 PRO 43 89.015 -16.886 -7.829 350 HG3 PRO 43 HG1 PRO 43 88.574 -16.339 -9.456 351 HD2 PRO 43 HD2 PRO 43 90.087 -14.832 -7.739 352 HD3 PRO 43 HD1 PRO 43 89.033 -14.121 -8.981 353 H LYS 44 HN LYS 44 85.326 -15.059 -4.908 354 HA LYS 44 HA LYS 44 86.205 -17.384 -3.473 355 HB2 LYS 44 HB2 LYS 44 88.059 -15.538 -3.099 356 HB3 LYS 44 HB1 LYS 44 86.878 -14.871 -1.977 357 HG2 LYS 44 HG2 LYS 44 88.025 -16.305 -0.557 358 HG3 LYS 44 HG1 LYS 44 86.749 -17.381 -1.129 359 HD2 LYS 44 HD2 LYS 44 88.323 -18.120 -2.966 360 HD3 LYS 44 HD1 LYS 44 89.595 -17.209 -2.150 361 HE2 LYS 44 HE2 LYS 44 87.951 -19.355 -0.784 362 HE3 LYS 44 HE1 LYS 44 89.511 -19.666 -1.546 363 HZ1 LYS 44 HZ1 LYS 44 90.611 -18.328 -0.028 364 HZ2 LYS 44 HZ2 LYS 44 89.459 -19.119 0.938 365 HZ3 LYS 44 HZ3 LYS 44 89.201 -17.513 0.447 366 H LYS 45 HN LYS 45 83.746 -17.011 -4.058 367 HA LYS 45 HA LYS 45 81.993 -15.302 -2.815 368 HB2 LYS 45 HB2 LYS 45 81.754 -17.748 -4.100 369 HB3 LYS 45 HB1 LYS 45 81.119 -18.097 -2.495 370 HG2 LYS 45 HG2 LYS 45 79.219 -17.314 -3.628 371 HG3 LYS 45 HG1 LYS 45 79.793 -15.864 -2.805 372 HD2 LYS 45 HD2 LYS 45 81.136 -15.385 -4.947 373 HD3 LYS 45 HD1 LYS 45 80.129 -16.615 -5.711 374 HE2 LYS 45 HE2 LYS 45 78.108 -15.329 -4.872 375 HE3 LYS 45 HE1 LYS 45 79.216 -14.036 -4.414 376 HZ1 LYS 45 HZ1 LYS 45 79.992 -13.977 -6.726 377 HZ2 LYS 45 HZ2 LYS 45 78.336 -13.620 -6.595 378 HZ3 LYS 45 HZ3 LYS 45 78.837 -15.148 -7.141 379 H GLY 46 HN GLY 46 82.072 -14.580 -0.743 380 HA2 GLY 46 HA2 GLY 46 81.395 -16.038 1.514 381 HA3 GLY 46 HA1 GLY 46 83.151 -16.190 1.424 382 H VAL 47 HN VAL 47 81.989 -14.862 3.583 383 HA VAL 47 HA VAL 47 81.666 -12.061 3.297 384 HB VAL 47 HB VAL 47 81.146 -13.382 5.360 385 HG11 VAL 47 HG11 VAL 47 84.115 -13.212 5.916 386 HG12 VAL 47 HG12 VAL 47 83.363 -14.652 5.230 387 HG13 VAL 47 HG13 VAL 47 82.889 -14.089 6.833 388 HG21 VAL 47 HG21 VAL 47 81.512 -10.850 5.297 389 HG22 VAL 47 HG22 VAL 47 83.122 -11.164 5.944 390 HG23 VAL 47 HG23 VAL 47 81.694 -11.613 6.876 391 H GLN 48 HN GLN 48 84.423 -13.957 2.780 392 HA GLN 48 HA GLN 48 86.367 -11.893 3.557 393 HB2 GLN 48 HB2 GLN 48 86.445 -14.694 2.632 394 HB3 GLN 48 HB1 GLN 48 87.742 -13.696 1.977 395 HG2 GLN 48 HG2 GLN 48 87.054 -13.709 4.922 396 HG3 GLN 48 HG1 GLN 48 88.218 -14.836 4.223 397 HE21 GLN 48 HE21 GLN 48 89.873 -13.683 5.601 398 HE22 GLN 48 HE22 GLN 48 90.526 -12.217 5.046 399 H GLY 49 HN GLY 49 85.605 -13.499 0.438 400 HA2 GLY 49 HA2 GLY 49 86.675 -11.140 -0.986 401 HA3 GLY 49 HA1 GLY 49 86.197 -12.666 -1.730 402 H1U RCY 50 H1U RCY 50 82.057 -5.161 0.503 403 H1S RCY 50 H1S RCY 50 81.535 -7.632 -3.388 404 HB1 RCY 50 HB1 RCY 50 82.116 -10.525 -5.018 405 HB2 RCY 50 HB2 RCY 50 83.864 -10.747 -4.979 406 HA RCY 50 HA RCY 50 82.713 -9.829 -2.422 407 HN1 RCY 50 HN1 RCY 50 84.888 -11.581 -3.293 408 H GLY 51 HN GLY 51 81.553 -11.246 -0.973 409 HA2 GLY 51 HA2 GLY 51 80.461 -13.764 -1.994 410 HA3 GLY 51 HA1 GLY 51 80.104 -13.041 -0.425 411 H ASP 52 HN ASP 52 77.828 -13.316 -0.676 412 HA ASP 52 HA ASP 52 75.684 -12.570 -1.270 413 HB2 ASP 52 HB2 ASP 52 76.816 -10.306 -2.870 414 HB3 ASP 52 HB1 ASP 52 75.459 -10.314 -1.743 415 H ASP 53 HN ASP 53 74.974 -14.126 -2.707 416 HA ASP 53 HA ASP 53 76.033 -14.257 -5.436 417 HB2 ASP 53 HB2 ASP 53 73.841 -15.745 -3.975 418 HB3 ASP 53 HB1 ASP 53 74.200 -16.017 -5.680 419 H ILE 54 HN ILE 54 73.651 -12.445 -3.847 420 HA ILE 54 HA ILE 54 72.212 -11.924 -6.423 421 HB ILE 54 HB ILE 54 71.296 -11.678 -3.546 422 HG12 ILE 54 HG12 ILE 54 69.479 -13.203 -4.466 423 HG13 ILE 54 HG11 ILE 54 70.457 -13.353 -5.926 424 HG21 ILE 54 HG21 ILE 54 70.164 -10.566 -6.105 425 HG22 ILE 54 HG22 ILE 54 70.330 -9.779 -4.535 426 HG23 ILE 54 HG23 ILE 54 69.093 -11.013 -4.778 427 HD11 ILE 54 HD11 ILE 54 70.696 -14.973 -3.720 428 HD12 ILE 54 HD12 ILE 54 71.960 -13.777 -3.429 429 HD13 ILE 54 HD13 ILE 54 71.965 -14.721 -4.919 430 HA PRO 55 HA PRO 55 74.448 -8.027 -5.452 431 HB2 PRO 55 HB2 PRO 55 75.262 -7.456 -7.972 432 HB3 PRO 55 HB1 PRO 55 76.105 -8.641 -6.955 433 HG2 PRO 55 HG2 PRO 55 74.213 -9.088 -9.198 434 HG3 PRO 55 HG1 PRO 55 75.649 -10.010 -8.729 435 HD2 PRO 55 HD2 PRO 55 73.014 -10.730 -8.131 436 HD3 PRO 55 HD1 PRO 55 74.458 -11.352 -7.304 437 H GLY 56 HN GLY 56 71.715 -7.940 -5.435 438 HA2 GLY 56 HA2 GLY 56 69.968 -6.416 -5.818 439 HA3 GLY 56 HA1 GLY 56 71.141 -5.381 -6.634 440 H MET 57 HN MET 57 70.903 -8.627 -7.776 441 HA MET 57 HA MET 57 70.142 -9.500 -9.810 442 HB2 MET 57 HB2 MET 57 67.993 -7.728 -8.843 443 HB3 MET 57 HB1 MET 57 67.973 -7.962 -10.589 444 HG2 MET 57 HG2 MET 57 66.635 -9.712 -9.571 445 HG3 MET 57 HG1 MET 57 68.114 -10.439 -10.198 446 HE1 MET 57 HE1 MET 57 68.502 -12.690 -8.280 447 HE2 MET 57 HE2 MET 57 66.944 -12.156 -8.906 448 HE3 MET 57 HE3 MET 57 67.133 -12.474 -7.183 449 H GLU 58 HN GLU 58 71.040 -6.211 -9.510 450 HA GLU 58 HA GLU 58 72.278 -6.155 -12.092 451 HB2 GLU 58 HB2 GLU 58 70.039 -5.904 -12.984 452 HB3 GLU 58 HB1 GLU 58 69.659 -4.651 -11.804 453 HG2 GLU 58 HG2 GLU 58 72.008 -4.271 -13.634 454 HG3 GLU 58 HG1 GLU 58 70.381 -3.969 -14.245 455 H GLY 59 HN GLY 59 71.270 -4.685 -9.141 456 HA2 GLY 59 HA2 GLY 59 73.394 -3.374 -8.270 457 HA3 GLY 59 HA1 GLY 59 72.982 -2.300 -9.608 458 H1U RCY 60 H1U RCY 60 71.637 3.882 -4.042 459 H1S RCY 60 H1S RCY 60 69.037 1.160 -6.043 460 HB1 RCY 60 HB1 RCY 60 67.506 -0.468 -8.273 461 HB2 RCY 60 HB2 RCY 60 68.647 -0.791 -9.579 462 HA RCY 60 HA RCY 60 69.712 -1.046 -6.813 463 HN1 RCY 60 HN1 RCY 60 70.111 -2.606 -9.336 464 H GLY 61 HN GLY 61 69.421 -3.107 -5.651 465 HA2 GLY 61 HA2 GLY 61 67.031 -4.694 -6.384 466 HA3 GLY 61 HA1 GLY 61 68.179 -5.089 -5.103 467 H THR 62 HN THR 62 65.727 -2.623 -5.938 468 HA THR 62 HA THR 62 65.429 -1.430 -3.425 469 HB THR 62 HB THR 62 63.263 -0.723 -4.132 470 HG1 THR 62 HG1 THR 62 61.973 -1.971 -5.246 471 HG21 THR 62 HG21 THR 62 65.264 -0.068 -5.578 472 HG22 THR 62 HG22 THR 62 63.679 0.086 -6.337 473 HG23 THR 62 HG23 THR 62 64.711 -1.290 -6.723 474 H ASP 63 HN ASP 63 64.936 -4.692 -4.188 475 HA ASP 63 HA ASP 63 62.741 -5.487 -2.635 476 HB2 ASP 63 HB2 ASP 63 65.442 -6.808 -3.017 477 HB3 ASP 63 HB1 ASP 63 64.099 -7.594 -2.184 478 H ILE 64 HN ILE 64 65.555 -3.878 -1.649 479 HA ILE 64 HA ILE 64 65.164 -4.660 1.207 480 HB ILE 64 HB ILE 64 67.431 -5.011 0.514 481 HG12 ILE 64 HG12 ILE 64 68.633 -3.452 1.959 482 HG13 ILE 64 HG11 ILE 64 67.292 -2.308 1.886 483 HG21 ILE 64 HG21 ILE 64 68.433 -2.526 -0.258 484 HG22 ILE 64 HG22 ILE 64 66.884 -2.637 -1.093 485 HG23 ILE 64 HG23 ILE 64 68.103 -3.889 -1.328 486 HD11 ILE 64 HD11 ILE 64 67.527 -4.000 3.922 487 HD12 ILE 64 HD12 ILE 64 66.721 -5.098 2.802 488 HD13 ILE 64 HD13 ILE 64 65.943 -3.586 3.267 489 H THR 65 HN THR 65 66.810 -1.758 0.363 490 HA THR 65 HA THR 65 65.210 0.345 0.068 491 HB THR 65 HB THR 65 64.604 -0.792 2.807 492 HG1 THR 65 HG1 THR 65 62.580 0.394 1.585 493 HG21 THR 65 HG21 THR 65 63.378 1.555 2.981 494 HG22 THR 65 HG22 THR 65 64.683 2.060 1.907 495 HG23 THR 65 HG23 THR 65 65.058 1.374 3.488 496 H VAL 66 HN VAL 66 67.276 -0.991 2.629 497 HA VAL 66 HA VAL 66 69.097 1.337 2.270 498 HB VAL 66 HB VAL 66 69.450 1.090 4.869 499 HG11 VAL 66 HG11 VAL 66 67.088 2.444 3.542 500 HG12 VAL 66 HG12 VAL 66 68.663 3.149 3.909 501 HG13 VAL 66 HG13 VAL 66 67.553 2.742 5.217 502 HG21 VAL 66 HG21 VAL 66 66.540 0.498 4.950 503 HG22 VAL 66 HG22 VAL 66 67.812 0.043 6.083 504 HG23 VAL 66 HG23 VAL 66 67.592 -0.871 4.591 505 H ILE 67 HN ILE 67 69.217 -1.304 4.649 506 HA ILE 67 HA ILE 67 71.727 -2.253 3.329 507 HB ILE 67 HB ILE 67 70.805 -2.240 6.204 508 HG12 ILE 67 HG12 ILE 67 73.206 -1.401 6.445 509 HG13 ILE 67 HG11 ILE 67 73.259 -1.328 4.683 510 HG21 ILE 67 HG21 ILE 67 72.984 -3.625 6.547 511 HG22 ILE 67 HG22 ILE 67 72.766 -4.091 4.860 512 HG23 ILE 67 HG23 ILE 67 71.522 -4.475 6.049 513 HD11 ILE 67 HD11 ILE 67 71.626 0.353 4.575 514 HD12 ILE 67 HD12 ILE 67 72.557 0.814 6.000 515 HD13 ILE 67 HD13 ILE 67 71.009 -0.011 6.186 516 H1U RCY 68 H1U RCY 68 75.018 -2.718 -3.645 517 H1S RCY 68 H1S RCY 68 72.568 -3.984 0.365 518 HB1 RCY 68 HB1 RCY 68 69.388 -6.509 0.378 519 HB2 RCY 68 HB2 RCY 68 71.121 -6.524 0.700 520 HA RCY 68 HA RCY 68 68.875 -5.651 2.448 521 HN1 RCY 68 HN1 RCY 68 71.015 -3.832 1.948 522 HA PRO 69 HA PRO 69 70.775 -8.608 5.111 523 HB2 PRO 69 HB2 PRO 69 69.453 -10.890 4.467 524 HB3 PRO 69 HB1 PRO 69 68.661 -9.526 5.281 525 HG2 PRO 69 HG2 PRO 69 68.586 -10.302 2.407 526 HG3 PRO 69 HG1 PRO 69 67.283 -9.709 3.451 527 HD2 PRO 69 HD2 PRO 69 68.640 -8.114 1.660 528 HD3 PRO 69 HD1 PRO 69 67.853 -7.496 3.129 529 H TRP 70 HN TRP 70 70.859 -9.433 1.647 530 HA TRP 70 HA TRP 70 72.662 -11.664 2.001 531 HD1 TRP 70 HD1 TRP 70 73.070 -8.202 -0.574 532 HE1 TRP 70 HE1 TRP 70 71.140 -6.727 -1.436 533 HE3 TRP 70 HE3 TRP 70 69.252 -11.591 -0.461 534 HZ2 TRP 70 HZ2 TRP 70 68.342 -6.955 -2.004 535 HZ3 TRP 70 HZ3 TRP 70 66.971 -10.939 -1.165 536 HH2 TRP 70 HH2 TRP 70 66.509 -8.629 -1.936 537 HB2 TRP 70 HB2 TRP 70 73.232 -10.981 -0.519 538 HB3 TRP 70 HB1 TRP 70 71.729 -11.796 -0.102 539 H GLU 71 HN GLU 71 73.186 -8.701 2.994 540 HA GLU 71 HA GLU 71 76.110 -8.880 2.503 541 HB2 GLU 71 HB2 GLU 71 74.333 -6.526 1.867 542 HB3 GLU 71 HB1 GLU 71 76.031 -6.288 2.277 543 HG2 GLU 71 HG2 GLU 71 75.265 -8.314 0.190 544 HG3 GLU 71 HG1 GLU 71 75.366 -6.605 -0.237 545 H ALA 72 HN ALA 72 74.127 -9.292 4.772 546 HA ALA 72 HA ALA 72 74.531 -7.139 6.659 547 HB1 ALA 72 HB1 ALA 72 73.513 -8.588 8.268 548 HB2 ALA 72 HB2 ALA 72 73.943 -10.027 7.345 549 HB3 ALA 72 HB3 ALA 72 72.706 -8.927 6.737 550 H1U RCY 73 H1U RCY 73 76.360 -4.027 1.168 551 H1S RCY 73 H1S RCY 73 77.663 -5.978 4.471 552 HB1 RCY 73 HB1 RCY 73 80.388 -8.455 6.110 553 HB2 RCY 73 HB2 RCY 73 79.831 -6.787 6.228 554 HA RCY 73 HA RCY 73 78.582 -9.292 7.280 555 HN1 RCY 73 HN1 RCY 73 77.000 -7.272 5.877 556 H ASN 74 HN ASN 74 77.313 -6.144 7.993 557 HA ASN 74 HA ASN 74 78.176 -6.319 10.739 558 HB2 ASN 74 HB2 ASN 74 79.760 -4.498 10.816 559 HB3 ASN 74 HB1 ASN 74 80.320 -5.637 9.592 560 HD21 ASN 74 HD21 ASN 74 80.388 -2.480 9.960 561 HD22 ASN 74 HD22 ASN 74 79.971 -1.931 8.410 562 H HIS 75 HN HIS 75 77.940 -3.815 11.650 563 HA HIS 75 HA HIS 75 75.196 -3.049 10.795 564 HD1 HIS 75 HD1 HIS 75 74.726 -0.557 14.367 565 HD2 HIS 75 HD2 HIS 75 73.196 -3.533 11.876 566 HE1 HIS 75 HE1 HIS 75 72.204 -0.344 14.463 567 HE2 HIS 75 HE2 HIS 75 71.260 -2.151 12.952 568 HB2 HIS 75 HB2 HIS 75 76.132 -3.470 13.278 569 HB3 HIS 75 HB1 HIS 75 76.545 -1.763 13.136 570 H1U RCY 76 H1U RCY 76 77.940 -1.957 3.545 571 H1S RCY 76 H1S RCY 76 75.362 0.708 6.286 572 HB1 RCY 76 HB1 RCY 76 77.970 -0.892 8.074 573 HB2 RCY 76 HB2 RCY 76 78.825 0.641 7.938 574 HA RCY 76 HA RCY 76 79.470 0.068 10.068 575 HN1 RCY 76 HN1 RCY 76 78.481 -1.893 10.869 576 H GLU 77 HN GLU 77 76.755 0.122 11.924 577 HA GLU 77 HA GLU 77 76.012 2.921 11.717 578 HB2 GLU 77 HB2 GLU 77 74.472 1.270 12.709 579 HB3 GLU 77 HB1 GLU 77 75.633 0.952 13.999 580 HG2 GLU 77 HG2 GLU 77 75.427 3.204 14.838 581 HG3 GLU 77 HG1 GLU 77 74.460 3.689 13.445 582 H LEU 78 HN LEU 78 77.912 1.078 14.120 583 HA LEU 78 HA LEU 78 79.127 3.629 15.060 584 HG LEU 78 HG LEU 78 80.947 2.990 16.805 585 HB2 LEU 78 HB2 LEU 78 78.151 1.878 16.672 586 HB3 LEU 78 HB1 LEU 78 79.524 0.865 16.231 587 HD11 LEU 78 HD11 LEU 78 78.310 3.524 18.195 588 HD12 LEU 78 HD12 LEU 78 79.178 4.590 17.091 589 HD13 LEU 78 HD13 LEU 78 79.829 4.266 18.698 590 HD21 LEU 78 HD21 LEU 78 79.558 1.391 18.981 591 HD22 LEU 78 HD22 LEU 78 81.093 2.244 19.147 592 HD23 LEU 78 HD23 LEU 78 80.968 0.854 18.068 593 H HIS 79 HN HIS 79 79.825 2.648 12.480 594 HA HIS 79 HA HIS 79 82.725 2.435 12.807 595 HD1 HIS 79 HD1 HIS 79 84.263 1.457 13.458 596 HD2 HIS 79 HD2 HIS 79 81.862 -1.941 13.755 597 HE1 HIS 79 HE1 HIS 79 85.216 0.071 15.352 598 HE2 HIS 79 HE2 HIS 79 83.763 -2.001 15.542 599 HB2 HIS 79 HB2 HIS 79 81.018 0.108 12.033 600 HB3 HIS 79 HB1 HIS 79 82.512 0.333 11.131 601 H GLU 80 HN GLU 80 81.777 4.558 11.692 602 HA GLU 80 HA GLU 80 80.779 4.630 9.090 603 HB2 GLU 80 HB2 GLU 80 81.295 6.628 10.529 604 HB3 GLU 80 HB1 GLU 80 82.999 6.420 10.123 605 HG2 GLU 80 HG2 GLU 80 82.095 8.052 8.596 606 HG3 GLU 80 HG1 GLU 80 82.344 6.562 7.685 607 H LEU 81 HN LEU 81 84.286 4.996 9.730 608 HA LEU 81 HA LEU 81 84.793 3.698 7.098 609 HG LEU 81 HG LEU 81 85.994 5.288 10.046 610 HB2 LEU 81 HB2 LEU 81 87.238 4.510 7.804 611 HB3 LEU 81 HB1 LEU 81 86.078 5.621 7.079 612 HD11 LEU 81 HD11 LEU 81 87.749 7.136 10.184 613 HD12 LEU 81 HD12 LEU 81 88.165 6.738 8.517 614 HD13 LEU 81 HD13 LEU 81 88.360 5.530 9.787 615 HD21 LEU 81 HD21 LEU 81 84.532 6.781 8.446 616 HD22 LEU 81 HD22 LEU 81 85.931 7.855 8.482 617 HD23 LEU 81 HD23 LEU 81 85.094 7.445 9.980 618 H ALA 82 HN ALA 82 86.161 3.623 10.411 619 HA ALA 82 HA ALA 82 87.571 1.153 9.980 620 HB1 ALA 82 HB1 ALA 82 88.292 2.625 11.755 621 HB2 ALA 82 HB2 ALA 82 87.725 1.130 12.497 622 HB3 ALA 82 HB3 ALA 82 86.702 2.566 12.515 623 H GLN 83 HN GLN 83 86.763 -0.884 9.952 624 HA GLN 83 HA GLN 83 84.582 -1.697 11.692 625 HB2 GLN 83 HB2 GLN 83 82.813 -1.780 10.240 626 HB3 GLN 83 HB1 GLN 83 83.706 -0.525 9.384 627 HG2 GLN 83 HG2 GLN 83 84.867 -2.377 8.092 628 HG3 GLN 83 HG1 GLN 83 83.714 -3.501 8.812 629 HE21 GLN 83 HE21 GLN 83 82.067 -3.926 7.341 630 HE22 GLN 83 HE22 GLN 83 81.350 -2.776 6.319 631 H TYR 84 HN TYR 84 86.777 -2.360 9.035 632 HA TYR 84 HA TYR 84 87.385 -4.991 10.159 633 HD1 TYR 84 HD2 TYR 84 88.311 -7.164 8.549 634 HD2 TYR 84 HD1 TYR 84 84.117 -6.550 9.247 635 HE1 TYR 84 HE2 TYR 84 88.123 -9.469 9.444 636 HE2 TYR 84 HE1 TYR 84 83.929 -8.855 10.143 637 HH TYR 84 HH TYR 84 86.139 -10.569 11.281 638 HB2 TYR 84 HB2 TYR 84 85.360 -4.864 8.224 639 HB3 TYR 84 HB1 TYR 84 86.789 -5.336 7.311 640 H GLY 85 HN GLY 85 87.728 -2.766 7.411 641 HA2 GLY 85 HA2 GLY 85 90.318 -2.072 7.460 642 HA3 GLY 85 HA1 GLY 85 90.484 -3.745 6.928 643 H ILE 86 HN ILE 86 88.299 -1.024 6.095 644 HA ILE 86 HA ILE 86 89.238 -1.153 3.303 645 HB ILE 86 HB ILE 86 86.449 -1.133 2.982 646 HG12 ILE 86 HG12 ILE 86 87.235 -3.401 4.835 647 HG13 ILE 86 HG11 ILE 86 86.346 -1.972 5.364 648 HG21 ILE 86 HG21 ILE 86 86.856 -3.412 2.000 649 HG22 ILE 86 HG22 ILE 86 88.485 -3.358 2.672 650 HG23 ILE 86 HG23 ILE 86 87.999 -2.190 1.444 651 HD11 ILE 86 HD11 ILE 86 84.911 -3.987 4.759 652 HD12 ILE 86 HD12 ILE 86 85.409 -3.730 3.087 653 HD13 ILE 86 HD13 ILE 86 84.493 -2.485 3.935 654 H1U RCY 87 H1U RCY 87 84.124 -2.387 0.668 655 H1S RCY 87 H1S RCY 87 83.000 1.566 2.556 656 HB1 RCY 87 HB1 RCY 87 84.468 3.096 4.629 657 HB2 RCY 87 HB2 RCY 87 84.436 1.442 4.019 658 HA RCY 87 HA RCY 87 86.979 2.810 3.491 659 HN1 RCY 87 HN1 RCY 87 86.108 0.129 4.292 Start of MODEL 90 1 HA MET 1 HA MET 1 90.250 -2.635 23.396 2 HB2 MET 1 HB2 MET 1 88.646 -4.488 24.283 3 HB3 MET 1 HB1 MET 1 87.428 -3.695 23.284 4 HG2 MET 1 HG2 MET 1 89.212 -3.830 21.395 5 HG3 MET 1 HG1 MET 1 89.984 -5.038 22.421 6 HE1 MET 1 HE1 MET 1 89.109 -7.125 23.164 7 HE2 MET 1 HE2 MET 1 87.583 -7.894 22.737 8 HE3 MET 1 HE3 MET 1 87.594 -6.537 23.860 9 H ASN 2 HN ASN 2 87.677 -2.862 21.598 10 HA ASN 2 HA ASN 2 87.572 0.063 20.953 11 HB2 ASN 2 HB2 ASN 2 87.392 -2.390 19.188 12 HB3 ASN 2 HB1 ASN 2 86.944 -0.777 18.631 13 HD21 ASN 2 HD21 ASN 2 88.693 -0.292 17.234 14 HD22 ASN 2 HD22 ASN 2 90.316 -0.274 17.728 15 H LEU 3 HN LEU 3 85.680 0.800 21.839 16 HA LEU 3 HA LEU 3 83.335 -0.843 22.182 17 HG LEU 3 HG LEU 3 84.740 2.363 21.520 18 HB2 LEU 3 HB2 LEU 3 82.307 1.651 22.332 19 HB3 LEU 3 HB1 LEU 3 83.213 0.921 23.656 20 HD11 LEU 3 HD11 LEU 3 84.459 4.455 22.978 21 HD12 LEU 3 HD12 LEU 3 83.062 3.644 23.685 22 HD13 LEU 3 HD13 LEU 3 83.084 4.020 21.962 23 HD21 LEU 3 HD21 LEU 3 86.341 2.614 23.221 24 HD22 LEU 3 HD22 LEU 3 85.638 1.040 23.590 25 HD23 LEU 3 HD23 LEU 3 85.140 2.464 24.504 26 H GLU 4 HN GLU 4 82.819 -1.734 20.139 27 HA GLU 4 HA GLU 4 82.267 0.105 17.895 28 HB2 GLU 4 HB2 GLU 4 83.399 -2.217 17.713 29 HB3 GLU 4 HB1 GLU 4 81.776 -2.874 17.916 30 HG2 GLU 4 HG2 GLU 4 80.985 -1.664 15.960 31 HG3 GLU 4 HG1 GLU 4 82.540 -0.848 15.794 32 HA PRO 5 HA PRO 5 77.976 0.835 18.887 33 HB2 PRO 5 HB2 PRO 5 77.667 0.113 15.986 34 HB3 PRO 5 HB1 PRO 5 76.939 1.455 16.893 35 HG2 PRO 5 HG2 PRO 5 79.071 1.804 15.314 36 HG3 PRO 5 HG1 PRO 5 78.851 2.720 16.813 37 HD2 PRO 5 HD2 PRO 5 80.817 0.602 16.204 38 HD3 PRO 5 HD1 PRO 5 80.844 1.824 17.494 39 HA PRO 6 HA PRO 6 76.989 -3.622 19.159 40 HB2 PRO 6 HB2 PRO 6 75.643 -3.525 21.509 41 HB3 PRO 6 HB1 PRO 6 77.415 -3.462 21.432 42 HG2 PRO 6 HG2 PRO 6 75.467 -1.262 21.863 43 HG3 PRO 6 HG1 PRO 6 77.072 -1.506 22.569 44 HD2 PRO 6 HD2 PRO 6 76.509 0.212 20.442 45 HD3 PRO 6 HD1 PRO 6 78.121 -0.419 20.843 46 H LYS 7 HN LYS 7 74.984 -4.826 18.967 47 HA LYS 7 HA LYS 7 72.773 -3.194 17.868 48 HB2 LYS 7 HB2 LYS 7 71.843 -5.479 17.257 49 HB3 LYS 7 HB1 LYS 7 73.385 -5.071 16.506 50 HG2 LYS 7 HG2 LYS 7 73.872 -6.300 19.067 51 HG3 LYS 7 HG1 LYS 7 72.802 -7.332 18.118 52 HD2 LYS 7 HD2 LYS 7 74.384 -7.180 16.208 53 HD3 LYS 7 HD1 LYS 7 75.471 -6.215 17.208 54 HE2 LYS 7 HE2 LYS 7 76.268 -8.469 17.344 55 HE3 LYS 7 HE1 LYS 7 75.452 -8.143 18.873 56 HZ1 LYS 7 HZ1 LYS 7 74.235 -9.513 16.536 57 HZ2 LYS 7 HZ2 LYS 7 73.480 -9.227 18.031 58 HZ3 LYS 7 HZ3 LYS 7 74.807 -10.284 17.935 59 H ALA 8 HN ALA 8 71.111 -2.623 19.173 60 HA ALA 8 HA ALA 8 69.851 -4.515 20.967 61 HB1 ALA 8 HB1 ALA 8 70.396 -3.543 23.076 62 HB2 ALA 8 HB2 ALA 8 71.169 -2.151 22.316 63 HB3 ALA 8 HB3 ALA 8 71.937 -3.737 22.239 64 H GLU 9 HN GLU 9 69.718 -2.006 18.949 65 HA GLU 9 HA GLU 9 68.113 -0.376 18.449 66 HB2 GLU 9 HB2 GLU 9 66.539 -2.282 20.191 67 HB3 GLU 9 HB1 GLU 9 65.801 -0.859 19.458 68 HG2 GLU 9 HG2 GLU 9 66.558 -1.647 17.224 69 HG3 GLU 9 HG1 GLU 9 67.209 -3.101 17.980 70 H1U RCY 10 H1U RCY 10 65.447 -3.534 18.199 71 H1S RCY 10 H1S RCY 10 65.482 0.751 19.699 72 HB1 RCY 10 HB1 RCY 10 66.183 2.770 22.962 73 HB2 RCY 10 HB2 RCY 10 67.366 1.479 23.172 74 HA RCY 10 HA RCY 10 66.951 3.314 20.850 75 HN1 RCY 10 HN1 RCY 10 67.149 1.555 19.311 76 H ARG 11 HN ARG 11 69.513 2.665 19.778 77 HA ARG 11 HA ARG 11 71.261 3.568 22.035 78 HE ARG 11 HE ARG 11 73.738 -0.260 22.703 79 HB2 ARG 11 HB2 ARG 11 72.037 1.658 19.806 80 HB3 ARG 11 HB1 ARG 11 73.100 2.235 21.088 81 HG2 ARG 11 HG2 ARG 11 70.514 0.847 21.764 82 HG3 ARG 11 HG1 ARG 11 71.958 -0.091 21.382 83 HD2 ARG 11 HD2 ARG 11 72.487 2.098 23.257 84 HD3 ARG 11 HD1 ARG 11 71.324 0.927 23.879 85 HH11 ARG 11 HH21 ARG 11 72.108 0.975 25.478 86 HH12 ARG 11 HH22 ARG 11 73.080 0.092 26.608 87 HH21 ARG 11 HH11 ARG 11 75.017 -1.421 24.162 88 HH22 ARG 11 HH12 ARG 11 74.727 -1.264 25.862 89 H SER 12 HN SER 12 70.224 3.887 18.754 90 HA SER 12 HA SER 12 72.398 5.844 18.169 91 HG SER 12 HG SER 12 73.178 4.511 16.377 92 HB2 SER 12 HB2 SER 12 70.348 4.464 16.421 93 HB3 SER 12 HB1 SER 12 71.374 5.773 15.840 94 H ALA 13 HN ALA 13 68.861 5.629 17.604 95 HA ALA 13 HA ALA 13 67.209 7.285 17.742 96 HB1 ALA 13 HB1 ALA 13 68.301 7.404 20.096 97 HB2 ALA 13 HB2 ALA 13 67.319 8.770 19.570 98 HB3 ALA 13 HB3 ALA 13 69.078 8.870 19.500 99 H THR 14 HN THR 14 70.055 9.405 18.112 100 HA THR 14 HA THR 14 70.042 10.220 15.328 101 HB THR 14 HB THR 14 69.015 12.258 17.323 102 HG1 THR 14 HG1 THR 14 67.540 10.929 15.310 103 HG21 THR 14 HG21 THR 14 70.283 12.903 15.160 104 HG22 THR 14 HG22 THR 14 68.723 13.670 15.456 105 HG23 THR 14 HG23 THR 14 68.845 12.332 14.314 106 H ARG 15 HN ARG 15 70.597 12.919 17.255 107 HA ARG 15 HA ARG 15 72.569 13.990 17.917 108 HE ARG 15 HE ARG 15 77.249 12.259 20.353 109 HB2 ARG 15 HB2 ARG 15 72.488 12.056 19.553 110 HB3 ARG 15 HB1 ARG 15 73.572 11.183 18.478 111 HG2 ARG 15 HG2 ARG 15 74.379 13.952 19.219 112 HG3 ARG 15 HG1 ARG 15 74.484 12.730 20.486 113 HD2 ARG 15 HD2 ARG 15 75.520 11.628 18.044 114 HD3 ARG 15 HD1 ARG 15 76.307 13.175 18.353 115 HH11 ARG 15 HH21 ARG 15 75.006 10.173 18.770 116 HH12 ARG 15 HH22 ARG 15 75.451 8.776 19.692 117 HH21 ARG 15 HH11 ARG 15 77.843 10.446 21.566 118 HH22 ARG 15 HH12 ARG 15 77.057 8.930 21.275 119 H VAL 16 HN VAL 16 72.364 12.107 15.234 120 HA VAL 16 HA VAL 16 74.980 13.101 14.247 121 HB VAL 16 HB VAL 16 74.090 10.213 13.965 122 HG11 VAL 16 HG11 VAL 16 76.554 10.113 13.091 123 HG12 VAL 16 HG12 VAL 16 76.349 11.844 12.827 124 HG13 VAL 16 HG13 VAL 16 75.290 10.696 12.008 125 HG21 VAL 16 HG21 VAL 16 74.909 10.468 16.183 126 HG22 VAL 16 HG22 VAL 16 76.173 11.587 15.671 127 HG23 VAL 16 HG23 VAL 16 76.292 9.875 15.263 128 H MET 17 HN MET 17 71.718 12.849 13.842 129 HA MET 17 HA MET 17 71.973 13.346 10.909 130 HB2 MET 17 HB2 MET 17 69.780 11.655 12.145 131 HB3 MET 17 HB1 MET 17 70.037 11.972 10.429 132 HG2 MET 17 HG2 MET 17 71.062 9.899 10.615 133 HG3 MET 17 HG1 MET 17 72.436 10.955 10.945 134 HE1 MET 17 HE1 MET 17 72.227 7.826 11.863 135 HE2 MET 17 HE2 MET 17 73.146 8.062 13.347 136 HE3 MET 17 HE3 MET 17 73.589 8.953 11.893 137 H GLY 18 HN GLY 18 70.420 14.828 10.097 138 HA2 GLY 18 HA2 GLY 18 68.095 15.830 10.936 139 HA3 GLY 18 HA1 GLY 18 69.139 16.482 12.200 140 H GLY 19 HN GLY 19 70.596 18.152 11.673 141 HA2 GLY 19 HA2 GLY 19 69.859 19.740 9.343 142 HA3 GLY 19 HA1 GLY 19 71.072 20.171 10.547 143 HA PRO 20 HA PRO 20 74.524 18.546 8.282 144 HB2 PRO 20 HB2 PRO 20 74.469 15.764 9.345 145 HB3 PRO 20 HB1 PRO 20 75.771 16.968 9.398 146 HG2 PRO 20 HG2 PRO 20 74.353 16.346 11.565 147 HG3 PRO 20 HG1 PRO 20 74.916 17.999 11.267 148 HD2 PRO 20 HD2 PRO 20 72.160 16.861 10.942 149 HD3 PRO 20 HD1 PRO 20 72.654 18.478 11.492 150 H1U RCY 21 H1U RCY 21 66.740 11.158 8.133 151 H1S RCY 21 H1S RCY 21 68.594 14.453 6.512 152 HB1 RCY 21 HB1 RCY 21 70.153 15.684 6.852 153 HB2 RCY 21 HB2 RCY 21 71.393 14.486 6.489 154 HA RCY 21 HA RCY 21 72.616 15.999 5.131 155 HN1 RCY 21 HN1 RCY 21 71.686 17.814 7.305 156 H THR 22 HN THR 22 72.404 17.196 3.306 157 HA THR 22 HA THR 22 70.284 19.267 3.173 158 HB THR 22 HB THR 22 72.298 20.201 2.439 159 HG1 THR 22 HG1 THR 22 70.940 19.106 0.214 160 HG21 THR 22 HG21 THR 22 73.657 18.200 2.478 161 HG22 THR 22 HG22 THR 22 73.851 18.961 0.899 162 HG23 THR 22 HG23 THR 22 72.812 17.546 1.074 163 HA PRO 23 HA PRO 23 67.435 16.771 0.834 164 HB2 PRO 23 HB2 PRO 23 67.267 19.200 -0.917 165 HB3 PRO 23 HB1 PRO 23 65.962 18.238 -0.196 166 HG2 PRO 23 HG2 PRO 23 66.694 20.598 0.816 167 HG3 PRO 23 HG1 PRO 23 66.154 19.263 1.847 168 HD2 PRO 23 HD2 PRO 23 68.888 20.370 1.499 169 HD3 PRO 23 HD1 PRO 23 68.195 19.487 2.876 170 H ARG 24 HN ARG 24 69.495 15.559 0.080 171 HA ARG 24 HA ARG 24 70.899 14.758 -1.641 172 HE ARG 24 HE ARG 24 66.489 11.274 -1.958 173 HB2 ARG 24 HB2 ARG 24 68.561 15.412 -3.438 174 HB3 ARG 24 HB1 ARG 24 69.679 14.052 -3.546 175 HG2 ARG 24 HG2 ARG 24 68.788 13.179 -1.395 176 HG3 ARG 24 HG1 ARG 24 67.625 14.505 -1.362 177 HD2 ARG 24 HD2 ARG 24 66.679 13.730 -3.508 178 HD3 ARG 24 HD1 ARG 24 67.836 12.399 -3.535 179 HH11 ARG 24 HH21 ARG 24 65.766 14.641 -2.125 180 HH12 ARG 24 HH22 ARG 24 64.387 14.533 -1.083 181 HH21 ARG 24 HH11 ARG 24 64.692 11.113 -0.596 182 HH22 ARG 24 HH12 ARG 24 63.778 12.535 -0.218 183 H LYS 25 HN LYS 25 72.531 16.329 -1.864 184 HA LYS 25 HA LYS 25 71.997 18.701 -3.539 185 HB2 LYS 25 HB2 LYS 25 73.818 19.639 -2.529 186 HB3 LYS 25 HB1 LYS 25 73.584 18.353 -1.352 187 HG2 LYS 25 HG2 LYS 25 75.376 18.148 -3.794 188 HG3 LYS 25 HG1 LYS 25 75.945 18.472 -2.156 189 HD2 LYS 25 HD2 LYS 25 74.178 16.109 -2.458 190 HD3 LYS 25 HD1 LYS 25 75.773 15.973 -3.200 191 HE2 LYS 25 HE2 LYS 25 75.606 15.228 -0.758 192 HE3 LYS 25 HE1 LYS 25 76.883 16.387 -1.130 193 HZ1 LYS 25 HZ1 LYS 25 75.166 18.140 -0.517 194 HZ2 LYS 25 HZ2 LYS 25 75.845 17.240 0.754 195 HZ3 LYS 25 HZ3 LYS 25 74.284 16.875 0.190 196 H GLY 26 HN GLY 26 72.995 15.503 -4.013 197 HA2 GLY 26 HA2 GLY 26 74.713 16.131 -6.337 198 HA3 GLY 26 HA1 GLY 26 74.369 14.516 -5.714 199 HA PRO 27 HA PRO 27 71.229 16.278 -9.125 200 HB2 PRO 27 HB2 PRO 27 73.210 15.248 -11.108 201 HB3 PRO 27 HB1 PRO 27 72.161 16.676 -11.200 202 HG2 PRO 27 HG2 PRO 27 74.777 16.884 -10.722 203 HG3 PRO 27 HG1 PRO 27 73.601 17.978 -9.975 204 HD2 PRO 27 HD2 PRO 27 75.113 15.714 -8.742 205 HD3 PRO 27 HD1 PRO 27 74.548 17.229 -8.005 206 HA PRO 28 HA PRO 28 69.429 12.224 -9.310 207 HB2 PRO 28 HB2 PRO 28 69.013 12.796 -12.225 208 HB3 PRO 28 HB1 PRO 28 67.857 12.198 -11.019 209 HG2 PRO 28 HG2 PRO 28 67.865 14.746 -11.836 210 HG3 PRO 28 HG1 PRO 28 67.447 14.287 -10.178 211 HD2 PRO 28 HD2 PRO 28 69.873 15.663 -11.177 212 HD3 PRO 28 HD1 PRO 28 69.176 15.650 -9.542 213 H LYS 29 HN LYS 29 69.726 10.085 -10.425 214 HA LYS 29 HA LYS 29 72.447 9.441 -10.858 215 HB2 LYS 29 HB2 LYS 29 70.128 7.917 -12.063 216 HB3 LYS 29 HB1 LYS 29 71.688 7.279 -11.544 217 HG2 LYS 29 HG2 LYS 29 69.513 8.418 -9.768 218 HG3 LYS 29 HG1 LYS 29 70.045 6.738 -9.842 219 HD2 LYS 29 HD2 LYS 29 72.385 7.662 -9.231 220 HD3 LYS 29 HD1 LYS 29 71.529 9.129 -8.755 221 HE2 LYS 29 HE2 LYS 29 71.654 7.837 -6.767 222 HE3 LYS 29 HE1 LYS 29 70.013 7.586 -7.361 223 HZ1 LYS 29 HZ1 LYS 29 70.486 5.470 -8.055 224 HZ2 LYS 29 HZ2 LYS 29 71.476 5.571 -6.678 225 HZ3 LYS 29 HZ3 LYS 29 72.148 5.765 -8.226 226 H1U RCY 30 H1U RCY 30 69.760 11.136 -10.268 227 H1S RCY 30 H1S RCY 30 73.009 13.463 -12.517 228 HB1 RCY 30 HB1 RCY 30 74.958 11.323 -15.700 229 HB2 RCY 30 HB2 RCY 30 75.475 10.363 -14.317 230 HA RCY 30 HA RCY 30 72.609 11.085 -15.002 231 HN1 RCY 30 HN1 RCY 30 73.735 10.014 -12.536 232 H LYS 31 HN LYS 31 75.340 9.009 -15.397 233 HA LYS 31 HA LYS 31 73.675 6.821 -16.520 234 HB2 LYS 31 HB2 LYS 31 75.698 7.087 -18.418 235 HB3 LYS 31 HB1 LYS 31 74.024 7.588 -18.630 236 HG2 LYS 31 HG2 LYS 31 75.461 9.477 -19.153 237 HG3 LYS 31 HG1 LYS 31 74.624 9.816 -17.638 238 HD2 LYS 31 HD2 LYS 31 76.820 10.379 -17.087 239 HD3 LYS 31 HD1 LYS 31 76.741 8.702 -16.546 240 HE2 LYS 31 HE2 LYS 31 78.634 8.506 -17.818 241 HE3 LYS 31 HE1 LYS 31 77.465 8.315 -19.125 242 HZ1 LYS 31 HZ1 LYS 31 78.021 11.058 -18.493 243 HZ2 LYS 31 HZ2 LYS 31 78.024 10.269 -19.997 244 HZ3 LYS 31 HZ3 LYS 31 79.400 10.211 -19.002 245 H GLN 32 HN GLN 32 74.567 5.785 -14.558 246 HA GLN 32 HA GLN 32 77.432 5.415 -14.293 247 HB2 GLN 32 HB2 GLN 32 75.866 5.282 -12.364 248 HB3 GLN 32 HB1 GLN 32 75.163 3.822 -13.060 249 HG2 GLN 32 HG2 GLN 32 76.833 3.215 -11.370 250 HG3 GLN 32 HG1 GLN 32 77.395 2.730 -12.971 251 HE21 GLN 32 HE21 GLN 32 79.171 3.953 -13.932 252 HE22 GLN 32 HE22 GLN 32 80.118 5.013 -13.004 253 H ARG 33 HN ARG 33 78.681 3.918 -15.304 254 HA ARG 33 HA ARG 33 77.520 1.382 -16.244 255 HE ARG 33 HE ARG 33 77.998 4.037 -20.050 256 HB2 ARG 33 HB2 ARG 33 78.556 3.519 -18.117 257 HB3 ARG 33 HB1 ARG 33 78.544 1.815 -18.571 258 HG2 ARG 33 HG2 ARG 33 76.048 1.864 -17.844 259 HG3 ARG 33 HG1 ARG 33 76.202 3.617 -17.971 260 HD2 ARG 33 HD2 ARG 33 76.429 1.539 -20.133 261 HD3 ARG 33 HD1 ARG 33 75.496 3.036 -20.125 262 HH11 ARG 33 HH21 ARG 33 76.621 1.426 -21.831 263 HH12 ARG 33 HH22 ARG 33 77.691 1.609 -23.182 264 HH21 ARG 33 HH11 ARG 33 79.402 4.291 -21.803 265 HH22 ARG 33 HH12 ARG 33 79.265 3.231 -23.165 266 H GLN 34 HN GLN 34 79.359 1.654 -14.257 267 HA GLN 34 HA GLN 34 81.478 0.903 -13.592 268 HB2 GLN 34 HB2 GLN 34 80.715 -0.951 -15.250 269 HB3 GLN 34 HB1 GLN 34 81.847 -0.202 -16.376 270 HG2 GLN 34 HG2 GLN 34 83.119 -1.874 -15.271 271 HG3 GLN 34 HG1 GLN 34 83.578 -0.367 -14.478 272 HE21 GLN 34 HE21 GLN 34 83.078 -0.134 -12.246 273 HE22 GLN 34 HE22 GLN 34 82.280 -1.325 -11.338 274 H THR 35 HN THR 35 83.044 2.413 -13.340 275 HA THR 35 HA THR 35 84.844 3.148 -15.439 276 HB THR 35 HB THR 35 83.298 4.587 -16.434 277 HG1 THR 35 HG1 THR 35 85.219 5.660 -15.276 278 HG21 THR 35 HG21 THR 35 81.388 4.403 -15.096 279 HG22 THR 35 HG22 THR 35 81.840 6.092 -14.867 280 HG23 THR 35 HG23 THR 35 82.246 4.897 -13.635 281 H ARG 36 HN ARG 36 83.736 3.180 -12.253 282 HA ARG 36 HA ARG 36 85.820 5.080 -11.316 283 HE ARG 36 HE ARG 36 83.343 6.532 -8.060 284 HB2 ARG 36 HB2 ARG 36 83.760 3.513 -9.730 285 HB3 ARG 36 HB1 ARG 36 84.785 4.809 -9.113 286 HG2 ARG 36 HG2 ARG 36 83.067 5.366 -11.504 287 HG3 ARG 36 HG1 ARG 36 82.305 5.318 -9.913 288 HD2 ARG 36 HD2 ARG 36 84.827 6.904 -10.296 289 HD3 ARG 36 HD1 ARG 36 83.284 7.587 -10.809 290 HH11 ARG 36 HH21 ARG 36 83.661 9.188 -10.235 291 HH12 ARG 36 HH22 ARG 36 83.350 10.388 -9.025 292 HH21 ARG 36 HH11 ARG 36 82.936 8.084 -6.468 293 HH22 ARG 36 HH12 ARG 36 82.940 9.763 -6.893 294 H GLN 37 HN GLN 37 86.477 2.446 -12.543 295 HA GLN 37 HA GLN 37 87.913 0.636 -12.139 296 HB2 GLN 37 HB2 GLN 37 88.751 2.352 -9.779 297 HB3 GLN 37 HB1 GLN 37 89.674 1.019 -10.473 298 HG2 GLN 37 HG2 GLN 37 90.070 2.194 -12.493 299 HG3 GLN 37 HG1 GLN 37 88.808 3.377 -12.148 300 HE21 GLN 37 HE21 GLN 37 92.154 2.909 -12.023 301 HE22 GLN 37 HE22 GLN 37 92.540 4.133 -10.912 302 H1U RCY 38 H1U RCY 38 82.519 -0.848 -4.599 303 H1S RCY 38 H1S RCY 38 84.385 -2.338 -7.333 304 HB1 RCY 38 HB1 RCY 38 84.024 -2.465 -9.325 305 HB2 RCY 38 HB2 RCY 38 84.216 -1.121 -10.450 306 HA RCY 38 HA RCY 38 86.517 -1.709 -8.647 307 HN1 RCY 38 HN1 RCY 38 86.835 -1.183 -11.519 308 H LYS 39 HN LYS 39 87.687 -2.735 -11.373 309 HA LYS 39 HA LYS 39 86.501 -5.309 -11.836 310 HB2 LYS 39 HB2 LYS 39 88.873 -3.834 -12.719 311 HB3 LYS 39 HB1 LYS 39 89.203 -5.555 -12.525 312 HG2 LYS 39 HG2 LYS 39 88.406 -5.132 -14.797 313 HG3 LYS 39 HG1 LYS 39 87.195 -6.062 -13.915 314 HD2 LYS 39 HD2 LYS 39 85.665 -4.416 -14.111 315 HD3 LYS 39 HD1 LYS 39 86.812 -3.198 -13.552 316 HE2 LYS 39 HE2 LYS 39 87.814 -3.122 -15.820 317 HE3 LYS 39 HE1 LYS 39 86.622 -4.298 -16.372 318 HZ1 LYS 39 HZ1 LYS 39 85.890 -2.087 -16.905 319 HZ2 LYS 39 HZ2 LYS 39 86.058 -1.592 -15.288 320 HZ3 LYS 39 HZ3 LYS 39 84.872 -2.733 -15.711 321 H SER 40 HN SER 40 88.686 -4.102 -9.419 322 HA SER 40 HA SER 40 89.999 -6.479 -8.627 323 HG SER 40 HG SER 40 88.105 -3.943 -7.612 324 HB2 SER 40 HB2 SER 40 89.982 -5.387 -6.312 325 HB3 SER 40 HB1 SER 40 90.692 -4.435 -7.612 326 H LYS 41 HN LYS 41 88.378 -8.161 -8.927 327 HA LYS 41 HA LYS 41 85.875 -8.262 -7.618 328 HB2 LYS 41 HB2 LYS 41 86.071 -10.732 -7.860 329 HB3 LYS 41 HB1 LYS 41 86.493 -9.875 -9.341 330 HG2 LYS 41 HG2 LYS 41 88.424 -11.059 -9.303 331 HG3 LYS 41 HG1 LYS 41 88.909 -10.003 -7.976 332 HD2 LYS 41 HD2 LYS 41 89.180 -12.137 -7.044 333 HD3 LYS 41 HD1 LYS 41 87.572 -11.679 -6.482 334 HE2 LYS 41 HE2 LYS 41 87.274 -13.868 -7.323 335 HE3 LYS 41 HE1 LYS 41 86.709 -12.831 -8.633 336 HZ1 LYS 41 HZ1 LYS 41 89.448 -13.960 -8.426 337 HZ2 LYS 41 HZ2 LYS 41 88.826 -13.047 -9.717 338 HZ3 LYS 41 HZ3 LYS 41 88.210 -14.597 -9.396 339 HA PRO 42 HA PRO 42 87.560 -8.605 -3.441 340 HB2 PRO 42 HB2 PRO 42 85.213 -8.381 -2.089 341 HB3 PRO 42 HB1 PRO 42 86.002 -6.989 -2.856 342 HG2 PRO 42 HG2 PRO 42 83.689 -8.601 -3.800 343 HG3 PRO 42 HG1 PRO 42 83.973 -6.857 -3.912 344 HD2 PRO 42 HD2 PRO 42 84.378 -8.636 -6.000 345 HD3 PRO 42 HD1 PRO 42 85.169 -7.051 -5.868 346 HA PRO 43 HA PRO 43 87.078 -12.862 -2.353 347 HB2 PRO 43 HB2 PRO 43 86.845 -12.695 0.422 348 HB3 PRO 43 HB1 PRO 43 88.374 -12.657 -0.475 349 HG2 PRO 43 HG2 PRO 43 86.798 -10.416 0.667 350 HG3 PRO 43 HG1 PRO 43 88.554 -10.627 0.557 351 HD2 PRO 43 HD2 PRO 43 87.199 -8.974 -1.119 352 HD3 PRO 43 HD1 PRO 43 88.646 -9.867 -1.641 353 H LYS 44 HN LYS 44 85.254 -14.059 -2.652 354 HA LYS 44 HA LYS 44 82.962 -13.766 -0.853 355 HB2 LYS 44 HB2 LYS 44 82.611 -11.987 -2.605 356 HB3 LYS 44 HB1 LYS 44 82.575 -13.264 -3.819 357 HG2 LYS 44 HG2 LYS 44 80.358 -13.431 -3.403 358 HG3 LYS 44 HG1 LYS 44 80.801 -14.158 -1.858 359 HD2 LYS 44 HD2 LYS 44 80.551 -11.169 -2.283 360 HD3 LYS 44 HD1 LYS 44 79.240 -12.178 -1.668 361 HE2 LYS 44 HE2 LYS 44 81.957 -11.741 -0.401 362 HE3 LYS 44 HE1 LYS 44 80.391 -11.241 0.238 363 HZ1 LYS 44 HZ1 LYS 44 79.762 -13.599 0.338 364 HZ2 LYS 44 HZ2 LYS 44 81.101 -13.245 1.322 365 HZ3 LYS 44 HZ3 LYS 44 81.323 -14.031 -0.168 366 H LYS 45 HN LYS 45 81.852 -14.909 -3.775 367 HA LYS 45 HA LYS 45 83.017 -17.559 -3.775 368 HB2 LYS 45 HB2 LYS 45 81.664 -17.743 -1.719 369 HB3 LYS 45 HB1 LYS 45 80.229 -17.250 -2.619 370 HG2 LYS 45 HG2 LYS 45 80.086 -19.259 -3.766 371 HG3 LYS 45 HG1 LYS 45 81.818 -19.569 -3.648 372 HD2 LYS 45 HD2 LYS 45 80.678 -21.121 -2.177 373 HD3 LYS 45 HD1 LYS 45 81.515 -19.933 -1.177 374 HE2 LYS 45 HE2 LYS 45 79.253 -20.254 -0.317 375 HE3 LYS 45 HE1 LYS 45 79.390 -18.636 -1.005 376 HZ1 LYS 45 HZ1 LYS 45 78.409 -20.933 -2.589 377 HZ2 LYS 45 HZ2 LYS 45 78.233 -19.275 -2.914 378 HZ3 LYS 45 HZ3 LYS 45 77.365 -19.991 -1.641 379 H GLY 46 HN GLY 46 81.300 -15.088 -5.156 380 HA2 GLY 46 HA2 GLY 46 80.637 -16.788 -7.499 381 HA3 GLY 46 HA1 GLY 46 79.353 -15.782 -6.827 382 H VAL 47 HN VAL 47 80.273 -15.425 -9.464 383 HA VAL 47 HA VAL 47 81.375 -12.666 -9.248 384 HB VAL 47 HB VAL 47 82.406 -14.826 -11.113 385 HG11 VAL 47 HG11 VAL 47 82.354 -12.803 -12.376 386 HG12 VAL 47 HG12 VAL 47 84.007 -12.938 -11.776 387 HG13 VAL 47 HG13 VAL 47 82.871 -11.840 -10.991 388 HG21 VAL 47 HG21 VAL 47 84.571 -14.290 -9.960 389 HG22 VAL 47 HG22 VAL 47 83.363 -14.989 -8.881 390 HG23 VAL 47 HG23 VAL 47 83.675 -13.253 -8.850 391 H GLN 48 HN GLN 48 79.551 -15.095 -11.007 392 HA GLN 48 HA GLN 48 78.850 -13.481 -13.271 393 HB2 GLN 48 HB2 GLN 48 77.050 -15.090 -13.626 394 HB3 GLN 48 HB1 GLN 48 78.507 -15.955 -13.137 395 HG2 GLN 48 HG2 GLN 48 77.598 -15.759 -10.731 396 HG3 GLN 48 HG1 GLN 48 76.061 -15.330 -11.482 397 HE21 GLN 48 HE21 GLN 48 75.177 -17.409 -10.614 398 HE22 GLN 48 HE22 GLN 48 75.529 -18.867 -11.409 399 H GLY 49 HN GLY 49 77.252 -14.006 -10.126 400 HA2 GLY 49 HA2 GLY 49 75.160 -12.047 -10.775 401 HA3 GLY 49 HA1 GLY 49 75.335 -12.909 -9.244 402 H1U RCY 50 H1U RCY 50 82.896 -8.152 -2.996 403 H1S RCY 50 H1S RCY 50 80.267 -9.037 -6.542 404 HB1 RCY 50 HB1 RCY 50 80.054 -10.228 -9.920 405 HB2 RCY 50 HB2 RCY 50 79.464 -10.382 -8.265 406 HA RCY 50 HA RCY 50 77.583 -8.921 -8.743 407 HN1 RCY 50 HN1 RCY 50 77.645 -10.848 -11.018 408 H GLY 51 HN GLY 51 77.270 -9.399 -11.977 409 HA2 GLY 51 HA2 GLY 51 77.816 -6.545 -12.533 410 HA3 GLY 51 HA1 GLY 51 78.671 -7.720 -13.535 411 H ASP 52 HN ASP 52 76.673 -9.670 -13.816 412 HA ASP 52 HA ASP 52 74.916 -8.311 -15.746 413 HB2 ASP 52 HB2 ASP 52 74.120 -10.754 -16.094 414 HB3 ASP 52 HB1 ASP 52 75.772 -10.356 -16.567 415 H ASP 53 HN ASP 53 73.842 -7.136 -13.848 416 HA ASP 53 HA ASP 53 72.034 -8.762 -12.199 417 HB2 ASP 53 HB2 ASP 53 71.860 -5.767 -12.453 418 HB3 ASP 53 HB1 ASP 53 71.551 -6.781 -11.044 419 H ILE 54 HN ILE 54 69.635 -7.924 -12.156 420 HA ILE 54 HA ILE 54 68.576 -8.334 -14.834 421 HB ILE 54 HB ILE 54 66.386 -7.635 -13.365 422 HG12 ILE 54 HG12 ILE 54 68.158 -7.245 -11.460 423 HG13 ILE 54 HG11 ILE 54 66.649 -8.077 -11.082 424 HG21 ILE 54 HG21 ILE 54 66.469 -9.740 -14.451 425 HG22 ILE 54 HG22 ILE 54 66.343 -10.138 -12.737 426 HG23 ILE 54 HG23 ILE 54 67.903 -10.239 -13.554 427 HD11 ILE 54 HD11 ILE 54 67.673 -10.160 -10.943 428 HD12 ILE 54 HD12 ILE 54 68.963 -9.119 -10.340 429 HD13 ILE 54 HD13 ILE 54 68.999 -9.693 -12.007 430 HA PRO 55 HA PRO 55 68.423 -3.971 -15.784 431 HB2 PRO 55 HB2 PRO 55 66.951 -4.078 -18.062 432 HB3 PRO 55 HB1 PRO 55 68.627 -4.660 -17.989 433 HG2 PRO 55 HG2 PRO 55 66.090 -6.219 -17.898 434 HG3 PRO 55 HG1 PRO 55 67.605 -6.575 -18.746 435 HD2 PRO 55 HD2 PRO 55 66.904 -7.729 -16.344 436 HD3 PRO 55 HD1 PRO 55 68.586 -7.511 -16.876 437 H GLY 56 HN GLY 56 66.943 -3.796 -13.757 438 HA2 GLY 56 HA2 GLY 56 65.083 -2.568 -12.951 439 HA3 GLY 56 HA1 GLY 56 64.451 -2.507 -14.595 440 H MET 57 HN MET 57 64.999 -4.863 -11.953 441 HA MET 57 HA MET 57 62.273 -5.763 -12.011 442 HB2 MET 57 HB2 MET 57 63.421 -6.748 -14.174 443 HB3 MET 57 HB1 MET 57 64.127 -7.896 -13.040 444 HG2 MET 57 HG2 MET 57 61.161 -7.330 -13.320 445 HG3 MET 57 HG1 MET 57 61.992 -8.736 -13.985 446 HE1 MET 57 HE1 MET 57 60.412 -10.773 -11.323 447 HE2 MET 57 HE2 MET 57 61.362 -10.878 -12.803 448 HE3 MET 57 HE3 MET 57 59.954 -9.821 -12.741 449 H GLU 58 HN GLU 58 62.948 -5.250 -9.749 450 HA GLU 58 HA GLU 58 63.359 -6.054 -7.584 451 HB2 GLU 58 HB2 GLU 58 62.469 -8.240 -8.795 452 HB3 GLU 58 HB1 GLU 58 64.151 -8.747 -8.645 453 HG2 GLU 58 HG2 GLU 58 64.058 -8.261 -6.210 454 HG3 GLU 58 HG1 GLU 58 62.354 -7.834 -6.378 455 H GLY 59 HN GLY 59 65.191 -5.359 -6.617 456 HA2 GLY 59 HA2 GLY 59 67.473 -5.457 -5.960 457 HA3 GLY 59 HA1 GLY 59 67.761 -6.641 -7.234 458 H1U RCY 60 H1U RCY 60 72.223 -1.328 -5.120 459 H1S RCY 60 H1S RCY 60 69.824 -3.043 -8.571 460 HB1 RCY 60 HB1 RCY 60 68.040 -3.588 -11.584 461 HB2 RCY 60 HB2 RCY 60 68.813 -4.506 -10.295 462 HA RCY 60 HA RCY 60 68.063 -2.168 -9.012 463 HN1 RCY 60 HN1 RCY 60 66.093 -4.239 -8.725 464 H GLY 61 HN GLY 61 65.104 -2.762 -8.892 465 HA2 GLY 61 HA2 GLY 61 63.607 -2.398 -11.145 466 HA3 GLY 61 HA1 GLY 61 63.257 -1.492 -9.674 467 H THR 62 HN THR 62 65.446 0.199 -9.543 468 HA THR 62 HA THR 62 66.238 1.506 -11.913 469 HB THR 62 HB THR 62 63.977 2.051 -12.448 470 HG1 THR 62 HG1 THR 62 65.262 3.859 -12.602 471 HG21 THR 62 HG21 THR 62 62.764 1.513 -10.504 472 HG22 THR 62 HG22 THR 62 62.582 3.263 -10.625 473 HG23 THR 62 HG23 THR 62 63.743 2.574 -9.491 474 H ASP 63 HN ASP 63 65.067 4.035 -10.167 475 HA ASP 63 HA ASP 63 67.630 4.600 -8.949 476 HB2 ASP 63 HB2 ASP 63 65.062 5.991 -8.195 477 HB3 ASP 63 HB1 ASP 63 66.689 6.663 -8.309 478 H ILE 64 HN ILE 64 64.404 4.067 -7.479 479 HA ILE 64 HA ILE 64 65.366 3.802 -4.810 480 HB ILE 64 HB ILE 64 62.866 2.872 -6.230 481 HG12 ILE 64 HG12 ILE 64 62.015 4.427 -4.246 482 HG13 ILE 64 HG11 ILE 64 63.672 5.029 -4.313 483 HG21 ILE 64 HG21 ILE 64 63.100 1.136 -4.645 484 HG22 ILE 64 HG22 ILE 64 62.083 2.319 -3.822 485 HG23 ILE 64 HG23 ILE 64 63.801 2.214 -3.438 486 HD11 ILE 64 HD11 ILE 64 61.622 5.010 -6.538 487 HD12 ILE 64 HD12 ILE 64 63.336 5.311 -6.823 488 HD13 ILE 64 HD13 ILE 64 62.406 6.409 -5.804 489 H THR 65 HN THR 65 65.609 1.709 -7.506 490 HA THR 65 HA THR 65 66.171 -0.581 -7.686 491 HB THR 65 HB THR 65 67.974 0.411 -5.459 492 HG1 THR 65 HG1 THR 65 68.777 -0.058 -8.086 493 HG21 THR 65 HG21 THR 65 68.457 -1.800 -5.242 494 HG22 THR 65 HG22 THR 65 69.347 -1.570 -6.747 495 HG23 THR 65 HG23 THR 65 67.705 -2.213 -6.784 496 H VAL 66 HN VAL 66 63.973 0.070 -5.790 497 HA VAL 66 HA VAL 66 62.611 -1.122 -4.305 498 HB VAL 66 HB VAL 66 64.547 -3.430 -4.518 499 HG11 VAL 66 HG11 VAL 66 61.524 -3.415 -4.434 500 HG12 VAL 66 HG12 VAL 66 62.505 -3.410 -2.968 501 HG13 VAL 66 HG13 VAL 66 62.614 -4.760 -4.098 502 HG21 VAL 66 HG21 VAL 66 62.650 -2.318 -6.574 503 HG22 VAL 66 HG22 VAL 66 62.945 -4.055 -6.499 504 HG23 VAL 66 HG23 VAL 66 64.283 -2.945 -6.798 505 H ILE 67 HN ILE 67 66.107 -1.237 -3.763 506 HA ILE 67 HA ILE 67 65.554 -0.839 -0.858 507 HB ILE 67 HB ILE 67 67.798 -2.567 -1.919 508 HG12 ILE 67 HG12 ILE 67 65.101 -3.363 -0.777 509 HG13 ILE 67 HG11 ILE 67 65.642 -3.625 -2.435 510 HG21 ILE 67 HG21 ILE 67 68.050 -3.215 0.402 511 HG22 ILE 67 HG22 ILE 67 66.607 -2.309 0.856 512 HG23 ILE 67 HG23 ILE 67 68.054 -1.453 0.324 513 HD11 ILE 67 HD11 ILE 67 66.568 -4.967 0.089 514 HD12 ILE 67 HD12 ILE 67 67.657 -4.859 -1.294 515 HD13 ILE 67 HD13 ILE 67 66.111 -5.693 -1.452 516 H1U RCY 68 H1U RCY 68 72.089 0.558 -0.780 517 H1S RCY 68 H1S RCY 68 69.088 0.967 -3.508 518 HB1 RCY 68 HB1 RCY 68 67.954 4.320 -2.321 519 HB2 RCY 68 HB2 RCY 68 66.378 3.540 -2.371 520 HA RCY 68 HA RCY 68 68.888 2.016 -1.640 521 HN1 RCY 68 HN1 RCY 68 66.012 1.378 -1.105 522 HA PRO 69 HA PRO 69 69.689 3.995 2.230 523 HB2 PRO 69 HB2 PRO 69 68.866 6.574 0.925 524 HB3 PRO 69 HB1 PRO 69 70.243 6.248 1.998 525 HG2 PRO 69 HG2 PRO 69 70.408 6.338 -0.731 526 HG3 PRO 69 HG1 PRO 69 71.528 5.451 0.311 527 HD2 PRO 69 HD2 PRO 69 69.675 4.360 -1.610 528 HD3 PRO 69 HD1 PRO 69 70.791 3.472 -0.548 529 H TRP 70 HN TRP 70 66.747 5.372 0.651 530 HA TRP 70 HA TRP 70 65.494 5.894 3.223 531 HD1 TRP 70 HD1 TRP 70 63.680 4.275 -0.549 532 HE1 TRP 70 HE1 TRP 70 64.753 4.645 -2.862 533 HE3 TRP 70 HE3 TRP 70 66.379 8.504 0.399 534 HZ2 TRP 70 HZ2 TRP 70 66.526 6.494 -4.144 535 HZ3 TRP 70 HZ3 TRP 70 67.748 9.547 -1.380 536 HH2 TRP 70 HH2 TRP 70 67.827 8.551 -3.648 537 HB2 TRP 70 HB2 TRP 70 63.379 5.925 1.545 538 HB3 TRP 70 HB1 TRP 70 64.501 7.276 1.681 539 H GLU 71 HN GLU 71 65.659 3.169 1.070 540 HA GLU 71 HA GLU 71 63.802 1.668 2.878 541 HB2 GLU 71 HB2 GLU 71 64.228 1.387 -0.111 542 HB3 GLU 71 HB1 GLU 71 63.328 0.226 0.865 543 HG2 GLU 71 HG2 GLU 71 62.574 3.101 1.125 544 HG3 GLU 71 HG1 GLU 71 62.112 2.275 -0.364 545 H ALA 72 HN ALA 72 65.871 1.317 4.056 546 HA ALA 72 HA ALA 72 68.132 0.008 2.983 547 HB1 ALA 72 HB1 ALA 72 68.729 -0.512 5.226 548 HB2 ALA 72 HB2 ALA 72 67.044 -0.532 5.749 549 HB3 ALA 72 HB3 ALA 72 67.819 0.995 5.326 550 H1U RCY 73 H1U RCY 73 71.691 -0.969 5.195 551 H1S RCY 73 H1S RCY 73 69.081 -4.011 4.797 552 HB1 RCY 73 HB1 RCY 73 69.432 -3.978 2.120 553 HB2 RCY 73 HB2 RCY 73 68.366 -5.238 1.504 554 HA RCY 73 HA RCY 73 66.636 -4.061 2.357 555 HN1 RCY 73 HN1 RCY 73 68.765 -2.292 3.299 556 H ASN 74 HN ASN 74 67.270 -2.942 5.340 557 HA ASN 74 HA ASN 74 66.857 -3.740 7.509 558 HB2 ASN 74 HB2 ASN 74 65.033 -5.319 5.730 559 HB3 ASN 74 HB1 ASN 74 65.202 -5.840 7.406 560 HD21 ASN 74 HD21 ASN 74 63.963 -3.282 5.323 561 HD22 ASN 74 HD22 ASN 74 63.181 -2.408 6.550 562 H HIS 75 HN HIS 75 67.052 -5.835 8.888 563 HA HIS 75 HA HIS 75 68.655 -7.399 9.631 564 HD1 HIS 75 HD1 HIS 75 69.979 -9.090 6.026 565 HD2 HIS 75 HD2 HIS 75 65.975 -7.930 5.885 566 HE1 HIS 75 HE1 HIS 75 69.403 -8.805 3.577 567 HE2 HIS 75 HE2 HIS 75 66.968 -8.099 3.477 568 HB2 HIS 75 HB2 HIS 75 68.650 -9.445 8.286 569 HB3 HIS 75 HB1 HIS 75 67.020 -8.777 8.361 570 H1U RCY 76 H1U RCY 76 75.455 1.970 5.140 571 H1S RCY 76 H1S RCY 76 72.735 -2.023 4.555 572 HB1 RCY 76 HB1 RCY 76 71.225 -3.398 7.238 573 HB2 RCY 76 HB2 RCY 76 70.984 -4.093 5.635 574 HA RCY 76 HA RCY 76 71.876 -6.224 6.354 575 HN1 RCY 76 HN1 RCY 76 69.637 -5.101 7.838 576 H GLU 77 HN GLU 77 71.423 -4.746 9.544 577 HA GLU 77 HA GLU 77 74.101 -4.466 10.348 578 HB2 GLU 77 HB2 GLU 77 71.868 -5.517 12.111 579 HB3 GLU 77 HB1 GLU 77 73.303 -4.629 12.625 580 HG2 GLU 77 HG2 GLU 77 71.093 -3.550 10.850 581 HG3 GLU 77 HG1 GLU 77 71.356 -3.129 12.543 582 H LEU 78 HN LEU 78 74.895 -6.108 12.297 583 HA LEU 78 HA LEU 78 76.051 -8.154 12.524 584 HG LEU 78 HG LEU 78 75.492 -10.745 11.973 585 HB2 LEU 78 HB2 LEU 78 73.701 -8.696 13.270 586 HB3 LEU 78 HB1 LEU 78 73.370 -9.263 11.635 587 HD11 LEU 78 HD11 LEU 78 74.773 -9.930 14.797 588 HD12 LEU 78 HD12 LEU 78 76.348 -9.832 14.010 589 HD13 LEU 78 HD13 LEU 78 75.671 -11.404 14.436 590 HD21 LEU 78 HD21 LEU 78 73.199 -11.626 11.786 591 HD22 LEU 78 HD22 LEU 78 72.918 -11.279 13.493 592 HD23 LEU 78 HD23 LEU 78 74.096 -12.506 13.024 593 H HIS 79 HN HIS 79 77.093 -7.286 10.367 594 HA HIS 79 HA HIS 79 76.649 -9.343 8.234 595 HD1 HIS 79 HD1 HIS 79 76.929 -6.765 4.836 596 HD2 HIS 79 HD2 HIS 79 74.502 -8.944 7.436 597 HE1 HIS 79 HE1 HIS 79 75.028 -7.685 3.438 598 HE2 HIS 79 HE2 HIS 79 73.543 -9.013 5.008 599 HB2 HIS 79 HB2 HIS 79 76.669 -6.454 8.110 600 HB3 HIS 79 HB1 HIS 79 77.991 -7.090 7.134 601 H GLU 80 HN GLU 80 78.300 -10.791 8.483 602 HA GLU 80 HA GLU 80 80.824 -10.258 9.670 603 HB2 GLU 80 HB2 GLU 80 79.623 -12.416 8.048 604 HB3 GLU 80 HB1 GLU 80 81.369 -12.276 7.857 605 HG2 GLU 80 HG2 GLU 80 80.050 -12.314 10.577 606 HG3 GLU 80 HG1 GLU 80 80.558 -13.792 9.758 607 H LEU 81 HN LEU 81 79.591 -9.613 6.484 608 HA LEU 81 HA LEU 81 82.252 -9.094 5.338 609 HG LEU 81 HG LEU 81 79.785 -10.611 2.966 610 HB2 LEU 81 HB2 LEU 81 79.574 -8.356 4.135 611 HB3 LEU 81 HB1 LEU 81 81.098 -8.629 3.297 612 HD11 LEU 81 HD11 LEU 81 82.225 -10.840 3.735 613 HD12 LEU 81 HD12 LEU 81 81.215 -12.277 3.885 614 HD13 LEU 81 HD13 LEU 81 81.570 -11.296 5.307 615 HD21 LEU 81 HD21 LEU 81 78.501 -9.906 5.268 616 HD22 LEU 81 HD22 LEU 81 79.481 -11.255 5.842 617 HD23 LEU 81 HD23 LEU 81 78.349 -11.491 4.511 618 H ALA 82 HN ALA 82 80.635 -7.554 7.604 619 HA ALA 82 HA ALA 82 80.106 -4.923 6.855 620 HB1 ALA 82 HB1 ALA 82 81.385 -6.031 9.359 621 HB2 ALA 82 HB2 ALA 82 79.706 -5.544 9.123 622 HB3 ALA 82 HB3 ALA 82 80.978 -4.324 9.186 623 H GLN 83 HN GLN 83 81.451 -4.027 5.301 624 HA GLN 83 HA GLN 83 84.151 -4.167 4.881 625 HB2 GLN 83 HB2 GLN 83 82.245 -1.843 4.744 626 HB3 GLN 83 HB1 GLN 83 83.960 -1.558 4.453 627 HG2 GLN 83 HG2 GLN 83 82.568 -2.092 2.383 628 HG3 GLN 83 HG1 GLN 83 84.000 -3.096 2.617 629 HE21 GLN 83 HE21 GLN 83 80.613 -3.178 3.894 630 HE22 GLN 83 HE22 GLN 83 80.375 -4.823 3.552 631 H TYR 84 HN TYR 84 86.005 -3.624 5.997 632 HA TYR 84 HA TYR 84 86.138 -3.260 8.720 633 HD1 TYR 84 HD2 TYR 84 87.447 -3.213 4.935 634 HD2 TYR 84 HD1 TYR 84 89.045 -4.770 8.606 635 HE1 TYR 84 HE2 TYR 84 88.093 -5.303 3.767 636 HE2 TYR 84 HE1 TYR 84 89.691 -6.860 7.438 637 HH TYR 84 HH TYR 84 88.496 -7.893 4.726 638 HB2 TYR 84 HB2 TYR 84 88.026 -1.733 6.929 639 HB3 TYR 84 HB1 TYR 84 88.369 -2.495 8.479 640 H GLY 85 HN GLY 85 84.393 -1.850 9.390 641 HA2 GLY 85 HA2 GLY 85 84.074 0.311 10.446 642 HA3 GLY 85 HA1 GLY 85 85.159 1.023 9.252 643 H ILE 86 HN ILE 86 82.458 -1.159 8.582 644 HA ILE 86 HA ILE 86 80.791 -0.875 6.915 645 HB ILE 86 HB ILE 86 79.118 0.814 7.680 646 HG12 ILE 86 HG12 ILE 86 81.155 1.458 9.829 647 HG13 ILE 86 HG11 ILE 86 80.901 2.471 8.408 648 HG21 ILE 86 HG21 ILE 86 80.285 -0.640 10.058 649 HG22 ILE 86 HG22 ILE 86 79.479 -1.500 8.745 650 HG23 ILE 86 HG23 ILE 86 78.588 -0.316 9.703 651 HD11 ILE 86 HD11 ILE 86 79.569 3.323 10.279 652 HD12 ILE 86 HD12 ILE 86 78.809 1.745 10.481 653 HD13 ILE 86 HD13 ILE 86 78.502 2.691 9.025 654 H1U RCY 87 H1U RCY 87 74.115 2.812 2.454 655 H1S RCY 87 H1S RCY 87 77.473 5.156 2.889 656 HB1 RCY 87 HB1 RCY 87 79.142 4.227 5.391 657 HB2 RCY 87 HB2 RCY 87 78.643 2.901 4.344 658 HA RCY 87 HA RCY 87 81.098 2.400 3.973 659 HN1 RCY 87 HN1 RCY 87 79.555 1.723 6.263 Start of MODEL 91 1 HA MET 1 HA MET 1 56.777 -2.183 16.652 2 HB2 MET 1 HB2 MET 1 57.706 -4.416 17.390 3 HB3 MET 1 HB1 MET 1 56.480 -5.187 16.383 4 HG2 MET 1 HG2 MET 1 57.370 -4.179 14.388 5 HG3 MET 1 HG1 MET 1 58.446 -3.143 15.324 6 HE1 MET 1 HE1 MET 1 61.358 -5.066 14.170 7 HE2 MET 1 HE2 MET 1 60.913 -3.683 15.167 8 HE3 MET 1 HE3 MET 1 60.144 -3.914 13.598 9 H ASN 2 HN ASN 2 53.807 -4.021 16.644 10 HA ASN 2 HA ASN 2 52.082 -4.155 15.061 11 HB2 ASN 2 HB2 ASN 2 53.306 -1.694 13.804 12 HB3 ASN 2 HB1 ASN 2 51.607 -2.165 13.851 13 HD21 ASN 2 HD21 ASN 2 50.480 -1.988 15.966 14 HD22 ASN 2 HD22 ASN 2 51.085 -0.954 17.168 15 H LEU 3 HN LEU 3 52.606 -2.941 12.274 16 HA LEU 3 HA LEU 3 53.758 -5.406 11.144 17 HG LEU 3 HG LEU 3 51.781 -5.931 9.983 18 HB2 LEU 3 HB2 LEU 3 52.424 -2.965 9.964 19 HB3 LEU 3 HB1 LEU 3 53.206 -4.175 8.947 20 HD11 LEU 3 HD11 LEU 3 49.725 -4.948 11.235 21 HD12 LEU 3 HD12 LEU 3 50.746 -3.532 11.487 22 HD13 LEU 3 HD13 LEU 3 51.242 -5.101 12.122 23 HD21 LEU 3 HD21 LEU 3 50.447 -3.544 8.686 24 HD22 LEU 3 HD22 LEU 3 49.579 -5.044 9.011 25 HD23 LEU 3 HD23 LEU 3 50.965 -5.046 7.920 26 H GLU 4 HN GLU 4 55.384 -5.106 9.290 27 HA GLU 4 HA GLU 4 57.642 -3.570 10.311 28 HB2 GLU 4 HB2 GLU 4 58.832 -4.491 8.321 29 HB3 GLU 4 HB1 GLU 4 58.033 -5.747 9.264 30 HG2 GLU 4 HG2 GLU 4 57.429 -6.260 7.041 31 HG3 GLU 4 HG1 GLU 4 56.027 -5.385 7.658 32 HA PRO 5 HA PRO 5 57.267 0.400 8.415 33 HB2 PRO 5 HB2 PRO 5 59.774 -0.422 6.973 34 HB3 PRO 5 HB1 PRO 5 59.392 1.116 7.773 35 HG2 PRO 5 HG2 PRO 5 60.901 -0.785 8.933 36 HG3 PRO 5 HG1 PRO 5 59.852 0.302 9.856 37 HD2 PRO 5 HD2 PRO 5 59.572 -2.586 9.424 38 HD3 PRO 5 HD1 PRO 5 58.718 -1.541 10.580 39 HA PRO 6 HA PRO 6 55.711 -1.271 4.430 40 HB2 PRO 6 HB2 PRO 6 53.170 -0.407 4.632 41 HB3 PRO 6 HB1 PRO 6 53.739 -1.820 5.541 42 HG2 PRO 6 HG2 PRO 6 53.203 0.934 6.484 43 HG3 PRO 6 HG1 PRO 6 53.020 -0.609 7.331 44 HD2 PRO 6 HD2 PRO 6 55.198 1.193 7.572 45 HD3 PRO 6 HD1 PRO 6 55.121 -0.464 8.208 46 H LYS 7 HN LYS 7 55.991 -0.128 2.542 47 HA LYS 7 HA LYS 7 55.793 2.849 2.659 48 HB2 LYS 7 HB2 LYS 7 57.299 0.933 0.877 49 HB3 LYS 7 HB1 LYS 7 57.021 2.601 0.382 50 HG2 LYS 7 HG2 LYS 7 59.057 2.823 1.482 51 HG3 LYS 7 HG1 LYS 7 57.938 3.137 2.810 52 HD2 LYS 7 HD2 LYS 7 59.307 1.538 3.788 53 HD3 LYS 7 HD1 LYS 7 58.053 0.506 3.099 54 HE2 LYS 7 HE2 LYS 7 60.310 -0.346 2.554 55 HE3 LYS 7 HE1 LYS 7 59.441 0.138 1.098 56 HZ1 LYS 7 HZ1 LYS 7 61.837 0.920 1.373 57 HZ2 LYS 7 HZ2 LYS 7 61.223 2.018 2.515 58 HZ3 LYS 7 HZ3 LYS 7 60.684 2.073 0.904 59 H ALA 8 HN ALA 8 55.732 1.359 -0.431 60 HA ALA 8 HA ALA 8 52.791 1.356 -0.615 61 HB1 ALA 8 HB1 ALA 8 52.842 2.967 -2.547 62 HB2 ALA 8 HB2 ALA 8 54.524 3.316 -2.148 63 HB3 ALA 8 HB3 ALA 8 53.246 3.707 -0.998 64 H GLU 9 HN GLU 9 54.567 1.993 -3.496 65 HA GLU 9 HA GLU 9 54.932 0.637 -5.379 66 HB2 GLU 9 HB2 GLU 9 55.640 -1.512 -3.374 67 HB3 GLU 9 HB1 GLU 9 56.299 -1.275 -4.993 68 HG2 GLU 9 HG2 GLU 9 57.150 0.989 -4.159 69 HG3 GLU 9 HG1 GLU 9 56.762 0.422 -2.534 70 H1U RCY 10 H1U RCY 10 58.299 -3.805 -8.034 71 H1S RCY 10 H1S RCY 10 53.806 -2.994 -8.314 72 HB1 RCY 10 HB1 RCY 10 50.788 -1.657 -7.213 73 HB2 RCY 10 HB2 RCY 10 51.603 -3.005 -8.004 74 HA RCY 10 HA RCY 10 51.656 -2.440 -5.272 75 HN1 RCY 10 HN1 RCY 10 54.306 -1.574 -6.368 76 H ARG 11 HN ARG 11 54.566 -3.475 -5.153 77 HA ARG 11 HA ARG 11 53.838 -6.299 -5.576 78 HE ARG 11 HE ARG 11 58.010 -2.835 -8.013 79 HB2 ARG 11 HB2 ARG 11 55.931 -6.722 -6.898 80 HB3 ARG 11 HB1 ARG 11 54.750 -5.738 -7.763 81 HG2 ARG 11 HG2 ARG 11 55.961 -3.690 -7.017 82 HG3 ARG 11 HG1 ARG 11 57.180 -4.718 -6.262 83 HD2 ARG 11 HD2 ARG 11 57.879 -5.606 -8.358 84 HD3 ARG 11 HD1 ARG 11 56.457 -4.970 -9.186 85 HH11 ARG 11 HH21 ARG 11 57.822 -5.099 -10.606 86 HH12 ARG 11 HH22 ARG 11 58.717 -4.111 -11.711 87 HH21 ARG 11 HH11 ARG 11 59.180 -1.530 -9.441 88 HH22 ARG 11 HH12 ARG 11 59.486 -2.090 -11.051 89 H SER 12 HN SER 12 54.374 -4.725 -3.232 90 HA SER 12 HA SER 12 56.530 -6.354 -2.086 91 HG SER 12 HG SER 12 58.771 -3.943 -1.067 92 HB2 SER 12 HB2 SER 12 57.856 -4.518 -2.949 93 HB3 SER 12 HB1 SER 12 56.738 -3.335 -2.275 94 H ALA 13 HN ALA 13 56.556 -3.917 -0.047 95 HA ALA 13 HA ALA 13 55.525 -3.560 2.030 96 HB1 ALA 13 HB1 ALA 13 53.159 -3.867 0.172 97 HB2 ALA 13 HB2 ALA 13 53.854 -2.377 0.808 98 HB3 ALA 13 HB3 ALA 13 52.969 -3.464 1.878 99 H THR 14 HN THR 14 55.658 -6.504 0.652 100 HA THR 14 HA THR 14 55.139 -7.924 3.076 101 HB THR 14 HB THR 14 53.122 -9.003 1.275 102 HG1 THR 14 HG1 THR 14 52.918 -6.826 0.654 103 HG21 THR 14 HG21 THR 14 51.784 -8.982 3.273 104 HG22 THR 14 HG22 THR 14 52.811 -7.755 4.015 105 HG23 THR 14 HG23 THR 14 53.431 -9.387 3.759 106 H ARG 15 HN ARG 15 54.625 -8.535 -0.417 107 HA ARG 15 HA ARG 15 56.066 -11.057 -0.277 108 HE ARG 15 HE ARG 15 58.580 -10.234 -4.087 109 HB2 ARG 15 HB2 ARG 15 54.751 -11.338 -2.102 110 HB3 ARG 15 HB1 ARG 15 54.413 -9.615 -2.184 111 HG2 ARG 15 HG2 ARG 15 55.516 -10.084 -4.237 112 HG3 ARG 15 HG1 ARG 15 56.777 -9.387 -3.218 113 HD2 ARG 15 HD2 ARG 15 57.068 -11.971 -2.531 114 HD3 ARG 15 HD1 ARG 15 56.439 -12.190 -4.164 115 HH11 ARG 15 HH21 ARG 15 57.766 -13.584 -4.100 116 HH12 ARG 15 HH22 ARG 15 59.259 -14.080 -4.824 117 HH21 ARG 15 HH11 ARG 15 60.534 -10.863 -5.033 118 HH22 ARG 15 HH12 ARG 15 60.826 -12.540 -5.352 119 H VAL 16 HN VAL 16 57.128 -7.982 -0.052 120 HA VAL 16 HA VAL 16 59.178 -7.452 -1.793 121 HB VAL 16 HB VAL 16 58.598 -6.195 0.341 122 HG11 VAL 16 HG11 VAL 16 60.661 -7.967 1.641 123 HG12 VAL 16 HG12 VAL 16 58.948 -8.381 1.708 124 HG13 VAL 16 HG13 VAL 16 59.517 -6.864 2.404 125 HG21 VAL 16 HG21 VAL 16 61.155 -5.696 0.771 126 HG22 VAL 16 HG22 VAL 16 60.429 -5.280 -0.782 127 HG23 VAL 16 HG23 VAL 16 61.389 -6.751 -0.623 128 H MET 17 HN MET 17 60.868 -8.592 -2.564 129 HA MET 17 HA MET 17 62.230 -10.508 -2.853 130 HB2 MET 17 HB2 MET 17 64.046 -10.543 -1.195 131 HB3 MET 17 HB1 MET 17 63.652 -8.888 -1.653 132 HG2 MET 17 HG2 MET 17 62.429 -8.518 0.371 133 HG3 MET 17 HG1 MET 17 62.441 -10.236 0.771 134 HE1 MET 17 HE1 MET 17 64.559 -8.222 3.393 135 HE2 MET 17 HE2 MET 17 62.923 -8.426 2.772 136 HE3 MET 17 HE3 MET 17 63.929 -7.111 2.170 137 H GLY 18 HN GLY 18 63.319 -12.017 -0.515 138 HA2 GLY 18 HA2 GLY 18 62.193 -13.436 1.250 139 HA3 GLY 18 HA1 GLY 18 60.881 -13.648 0.088 140 H GLY 19 HN GLY 19 60.969 -15.658 -0.795 141 HA2 GLY 19 HA2 GLY 19 63.338 -17.287 -0.780 142 HA3 GLY 19 HA1 GLY 19 61.866 -17.641 -1.689 143 HA PRO 20 HA PRO 20 63.872 -16.963 -5.570 144 HB2 PRO 20 HB2 PRO 20 61.605 -15.085 -6.129 145 HB3 PRO 20 HB1 PRO 20 62.238 -16.414 -7.120 146 HG2 PRO 20 HG2 PRO 20 59.979 -16.642 -5.690 147 HG3 PRO 20 HG1 PRO 20 61.069 -18.008 -5.974 148 HD2 PRO 20 HD2 PRO 20 60.566 -16.515 -3.468 149 HD3 PRO 20 HD1 PRO 20 61.231 -18.147 -3.694 150 H1U RCY 21 H1U RCY 21 66.320 -6.527 -5.371 151 H1S RCY 21 H1S RCY 21 67.610 -10.545 -5.006 152 HB1 RCY 21 HB1 RCY 21 67.904 -13.476 -5.483 153 HB2 RCY 21 HB2 RCY 21 66.976 -14.517 -4.404 154 HA RCY 21 HA RCY 21 65.132 -12.638 -5.437 155 HN1 RCY 21 HN1 RCY 21 65.357 -15.456 -6.381 156 H THR 22 HN THR 22 64.694 -11.834 -7.487 157 HA THR 22 HA THR 22 66.051 -12.722 -9.869 158 HB THR 22 HB THR 22 64.590 -11.334 -10.937 159 HG1 THR 22 HG1 THR 22 65.718 -9.490 -9.192 160 HG21 THR 22 HG21 THR 22 63.319 -12.263 -8.923 161 HG22 THR 22 HG22 THR 22 62.618 -10.839 -9.693 162 HG23 THR 22 HG23 THR 22 63.523 -10.673 -8.188 163 HA PRO 23 HA PRO 23 69.808 -10.412 -9.560 164 HB2 PRO 23 HB2 PRO 23 70.336 -9.841 -12.183 165 HB3 PRO 23 HB1 PRO 23 70.495 -11.470 -11.496 166 HG2 PRO 23 HG2 PRO 23 68.292 -10.320 -13.132 167 HG3 PRO 23 HG1 PRO 23 69.011 -11.939 -13.181 168 HD2 PRO 23 HD2 PRO 23 66.623 -11.395 -11.940 169 HD3 PRO 23 HD1 PRO 23 67.699 -12.720 -11.445 170 H ARG 24 HN ARG 24 70.832 -8.241 -10.197 171 HA ARG 24 HA ARG 24 68.831 -6.154 -10.889 172 HE ARG 24 HE ARG 24 68.272 -8.196 -5.975 173 HB2 ARG 24 HB2 ARG 24 70.667 -5.697 -8.548 174 HB3 ARG 24 HB1 ARG 24 69.144 -4.897 -8.939 175 HG2 ARG 24 HG2 ARG 24 67.982 -7.101 -8.521 176 HG3 ARG 24 HG1 ARG 24 69.517 -7.721 -7.912 177 HD2 ARG 24 HD2 ARG 24 69.530 -5.707 -6.329 178 HD3 ARG 24 HD1 ARG 24 67.844 -5.469 -6.787 179 HH11 ARG 24 HH21 ARG 24 68.016 -4.950 -4.840 180 HH12 ARG 24 HH22 ARG 24 67.416 -5.402 -3.279 181 HH21 ARG 24 HH11 ARG 24 67.490 -8.805 -3.943 182 HH22 ARG 24 HH12 ARG 24 67.118 -7.584 -2.771 183 H LYS 25 HN LYS 25 69.726 -4.831 -12.387 184 HA LYS 25 HA LYS 25 72.519 -5.064 -13.109 185 HB2 LYS 25 HB2 LYS 25 70.759 -2.789 -13.997 186 HB3 LYS 25 HB1 LYS 25 71.997 -3.655 -14.907 187 HG2 LYS 25 HG2 LYS 25 70.514 -5.715 -14.736 188 HG3 LYS 25 HG1 LYS 25 69.248 -4.647 -14.129 189 HD2 LYS 25 HD2 LYS 25 68.767 -4.580 -16.392 190 HD3 LYS 25 HD1 LYS 25 69.894 -3.227 -16.283 191 HE2 LYS 25 HE2 LYS 25 70.478 -4.723 -18.163 192 HE3 LYS 25 HE1 LYS 25 71.750 -4.707 -16.941 193 HZ1 LYS 25 HZ1 LYS 25 71.039 -6.771 -16.098 194 HZ2 LYS 25 HZ2 LYS 25 71.072 -6.954 -17.787 195 HZ3 LYS 25 HZ3 LYS 25 69.592 -6.735 -16.983 196 H GLY 26 HN GLY 26 72.319 -1.934 -13.570 197 HA2 GLY 26 HA2 GLY 26 72.504 -0.633 -11.065 198 HA3 GLY 26 HA1 GLY 26 74.120 -1.221 -11.461 199 HA PRO 27 HA PRO 27 72.452 2.101 -14.743 200 HB2 PRO 27 HB2 PRO 27 71.494 3.976 -12.630 201 HB3 PRO 27 HB1 PRO 27 70.791 3.613 -14.219 202 HG2 PRO 27 HG2 PRO 27 69.701 2.699 -11.971 203 HG3 PRO 27 HG1 PRO 27 69.714 1.731 -13.456 204 HD2 PRO 27 HD2 PRO 27 71.418 1.443 -11.005 205 HD3 PRO 27 HD1 PRO 27 70.757 0.185 -12.074 206 HA PRO 28 HA PRO 28 76.018 4.655 -14.214 207 HB2 PRO 28 HB2 PRO 28 74.666 7.206 -14.795 208 HB3 PRO 28 HB1 PRO 28 75.858 6.322 -15.764 209 HG2 PRO 28 HG2 PRO 28 73.263 6.532 -16.460 210 HG3 PRO 28 HG1 PRO 28 74.265 5.134 -16.879 211 HD2 PRO 28 HD2 PRO 28 72.186 5.386 -14.729 212 HD3 PRO 28 HD1 PRO 28 72.578 3.991 -15.762 213 H LYS 29 HN LYS 29 77.158 6.021 -12.771 214 HA LYS 29 HA LYS 29 75.656 7.611 -10.792 215 HB2 LYS 29 HB2 LYS 29 76.845 6.481 -8.886 216 HB3 LYS 29 HB1 LYS 29 75.664 5.449 -9.688 217 HG2 LYS 29 HG2 LYS 29 78.520 5.424 -10.624 218 HG3 LYS 29 HG1 LYS 29 78.071 4.510 -9.184 219 HD2 LYS 29 HD2 LYS 29 77.036 2.918 -10.405 220 HD3 LYS 29 HD1 LYS 29 76.168 4.119 -11.362 221 HE2 LYS 29 HE2 LYS 29 77.764 2.683 -12.696 222 HE3 LYS 29 HE1 LYS 29 78.056 4.417 -12.835 223 HZ1 LYS 29 HZ1 LYS 29 80.002 2.785 -12.326 224 HZ2 LYS 29 HZ2 LYS 29 79.434 2.908 -10.730 225 HZ3 LYS 29 HZ3 LYS 29 79.935 4.300 -11.566 226 H1U RCY 30 H1U RCY 30 77.862 13.924 -2.756 227 H1S RCY 30 H1S RCY 30 80.011 11.840 -6.171 228 HB1 RCY 30 HB1 RCY 30 78.119 10.975 -9.110 229 HB2 RCY 30 HB2 RCY 30 79.844 11.329 -9.201 230 HA RCY 30 HA RCY 30 79.480 9.765 -10.942 231 HN1 RCY 30 HN1 RCY 30 77.489 8.526 -9.160 232 H LYS 31 HN LYS 31 79.332 7.127 -8.766 233 HA LYS 31 HA LYS 31 81.895 7.059 -7.646 234 HB2 LYS 31 HB2 LYS 31 79.739 5.348 -7.735 235 HB3 LYS 31 HB1 LYS 31 80.930 4.456 -8.677 236 HG2 LYS 31 HG2 LYS 31 81.361 5.580 -5.891 237 HG3 LYS 31 HG1 LYS 31 81.112 3.879 -6.289 238 HD2 LYS 31 HD2 LYS 31 83.399 5.585 -7.320 239 HD3 LYS 31 HD1 LYS 31 83.521 4.421 -5.999 240 HE2 LYS 31 HE2 LYS 31 83.134 3.924 -8.931 241 HE3 LYS 31 HE1 LYS 31 84.212 3.114 -7.795 242 HZ1 LYS 31 HZ1 LYS 31 82.092 2.293 -6.697 243 HZ2 LYS 31 HZ2 LYS 31 82.506 1.596 -8.190 244 HZ3 LYS 31 HZ3 LYS 31 81.291 2.782 -8.111 245 H GLN 32 HN GLN 32 83.897 6.916 -8.556 246 HA GLN 32 HA GLN 32 84.143 5.735 -11.292 247 HB2 GLN 32 HB2 GLN 32 85.961 7.533 -11.646 248 HB3 GLN 32 HB1 GLN 32 84.280 8.059 -11.746 249 HG2 GLN 32 HG2 GLN 32 84.369 9.196 -9.733 250 HG3 GLN 32 HG1 GLN 32 85.613 8.136 -9.069 251 HE21 GLN 32 HE21 GLN 32 85.416 11.231 -9.587 252 HE22 GLN 32 HE22 GLN 32 86.899 11.583 -10.333 253 H ARG 33 HN ARG 33 84.920 3.830 -10.203 254 HA ARG 33 HA ARG 33 86.487 2.488 -9.077 255 HE ARG 33 HE ARG 33 88.778 3.200 -12.943 256 HB2 ARG 33 HB2 ARG 33 88.740 2.671 -10.019 257 HB3 ARG 33 HB1 ARG 33 87.534 2.854 -11.290 258 HG2 ARG 33 HG2 ARG 33 87.815 5.234 -11.345 259 HG3 ARG 33 HG1 ARG 33 88.761 5.221 -9.856 260 HD2 ARG 33 HD2 ARG 33 90.279 5.461 -11.743 261 HD3 ARG 33 HD1 ARG 33 90.503 3.863 -11.031 262 HH11 ARG 33 HH21 ARG 33 91.328 5.520 -13.000 263 HH12 ARG 33 HH22 ARG 33 91.617 5.358 -14.700 264 HH21 ARG 33 HH11 ARG 33 89.142 2.974 -15.163 265 HH22 ARG 33 HH12 ARG 33 90.380 3.916 -15.924 266 H GLN 34 HN GLN 34 88.762 2.659 -7.857 267 HA GLN 34 HA GLN 34 89.718 3.350 -5.829 268 HB2 GLN 34 HB2 GLN 34 89.215 6.008 -7.194 269 HB3 GLN 34 HB1 GLN 34 90.188 5.822 -5.734 270 HG2 GLN 34 HG2 GLN 34 91.698 4.283 -6.917 271 HG3 GLN 34 HG1 GLN 34 90.718 4.431 -8.377 272 HE21 GLN 34 HE21 GLN 34 93.379 5.784 -6.709 273 HE22 GLN 34 HE22 GLN 34 93.509 7.221 -7.602 274 H THR 35 HN THR 35 89.316 5.006 -3.911 275 HA THR 35 HA THR 35 86.484 5.700 -3.525 276 HB THR 35 HB THR 35 86.536 4.337 -1.306 277 HG1 THR 35 HG1 THR 35 88.898 3.804 -2.142 278 HG21 THR 35 HG21 THR 35 86.436 2.731 -3.866 279 HG22 THR 35 HG22 THR 35 85.170 3.869 -3.404 280 HG23 THR 35 HG23 THR 35 85.511 2.468 -2.388 281 H ARG 36 HN ARG 36 89.695 6.297 -3.115 282 HA ARG 36 HA ARG 36 90.885 7.865 -1.847 283 HE ARG 36 HE ARG 36 88.657 10.136 -5.383 284 HB2 ARG 36 HB2 ARG 36 88.219 8.909 -0.884 285 HB3 ARG 36 HB1 ARG 36 89.722 9.799 -1.120 286 HG2 ARG 36 HG2 ARG 36 87.963 8.603 -3.279 287 HG3 ARG 36 HG1 ARG 36 88.243 10.317 -2.971 288 HD2 ARG 36 HD2 ARG 36 90.727 9.826 -3.372 289 HD3 ARG 36 HD1 ARG 36 90.204 8.271 -4.021 290 HH11 ARG 36 HH21 ARG 36 92.008 9.583 -4.787 291 HH12 ARG 36 HH22 ARG 36 92.525 10.266 -6.292 292 HH21 ARG 36 HH11 ARG 36 89.313 11.032 -7.352 293 HH22 ARG 36 HH12 ARG 36 90.999 11.087 -7.744 294 H GLN 37 HN GLN 37 88.889 5.544 -0.481 295 HA GLN 37 HA GLN 37 90.423 5.472 1.962 296 HB2 GLN 37 HB2 GLN 37 88.789 7.424 2.320 297 HB3 GLN 37 HB1 GLN 37 87.517 6.203 2.356 298 HG2 GLN 37 HG2 GLN 37 88.701 5.036 4.192 299 HG3 GLN 37 HG1 GLN 37 89.944 6.288 4.174 300 HE21 GLN 37 HE21 GLN 37 89.412 8.376 5.076 301 HE22 GLN 37 HE22 GLN 37 87.969 8.653 5.927 302 H1U RCY 38 H1U RCY 38 85.292 6.306 5.679 303 H1S RCY 38 H1S RCY 38 87.443 3.197 3.099 304 HB1 RCY 38 HB1 RCY 38 87.399 0.904 -0.132 305 HB2 RCY 38 HB2 RCY 38 87.321 2.652 0.085 306 HA RCY 38 HA RCY 38 89.068 1.322 2.040 307 HN1 RCY 38 HN1 RCY 38 90.367 3.344 0.608 308 H LYS 39 HN LYS 39 91.546 1.407 1.029 309 HA LYS 39 HA LYS 39 91.586 -0.074 -1.544 310 HB2 LYS 39 HB2 LYS 39 93.780 1.073 0.204 311 HB3 LYS 39 HB1 LYS 39 94.093 0.127 -1.251 312 HG2 LYS 39 HG2 LYS 39 92.649 1.767 -2.521 313 HG3 LYS 39 HG1 LYS 39 92.615 2.764 -1.066 314 HD2 LYS 39 HD2 LYS 39 95.038 2.983 -1.101 315 HD3 LYS 39 HD1 LYS 39 95.152 1.871 -2.466 316 HE2 LYS 39 HE2 LYS 39 93.638 3.509 -3.730 317 HE3 LYS 39 HE1 LYS 39 93.963 4.650 -2.425 318 HZ1 LYS 39 HZ1 LYS 39 96.422 3.927 -2.938 319 HZ2 LYS 39 HZ2 LYS 39 95.659 5.160 -3.824 320 HZ3 LYS 39 HZ3 LYS 39 95.770 3.592 -4.468 321 H SER 40 HN SER 40 93.410 -0.504 1.508 322 HA SER 40 HA SER 40 92.381 -3.164 1.974 323 HG SER 40 HG SER 40 93.879 -5.386 0.901 324 HB2 SER 40 HB2 SER 40 93.854 -3.533 -0.047 325 HB3 SER 40 HB1 SER 40 95.224 -3.016 0.932 326 H LYS 41 HN LYS 41 93.046 -0.625 3.374 327 HA LYS 41 HA LYS 41 95.340 -0.743 4.972 328 HB2 LYS 41 HB2 LYS 41 92.935 0.010 6.499 329 HB3 LYS 41 HB1 LYS 41 94.358 0.974 6.104 330 HG2 LYS 41 HG2 LYS 41 93.457 1.201 3.760 331 HG3 LYS 41 HG1 LYS 41 91.974 0.425 4.317 332 HD2 LYS 41 HD2 LYS 41 91.569 2.198 5.914 333 HD3 LYS 41 HD1 LYS 41 93.139 2.925 5.571 334 HE2 LYS 41 HE2 LYS 41 91.073 2.532 3.405 335 HE3 LYS 41 HE1 LYS 41 91.090 3.977 4.416 336 HZ1 LYS 41 HZ1 LYS 41 92.395 3.996 2.225 337 HZ2 LYS 41 HZ2 LYS 41 93.543 3.063 3.061 338 HZ3 LYS 41 HZ3 LYS 41 93.145 4.619 3.614 339 HA PRO 42 HA PRO 42 94.881 -4.330 7.509 340 HB2 PRO 42 HB2 PRO 42 96.007 -3.477 9.872 341 HB3 PRO 42 HB1 PRO 42 96.950 -3.889 8.427 342 HG2 PRO 42 HG2 PRO 42 96.151 -1.219 9.462 343 HG3 PRO 42 HG1 PRO 42 97.671 -1.733 8.711 344 HD2 PRO 42 HD2 PRO 42 95.750 -0.331 7.357 345 HD3 PRO 42 HD1 PRO 42 96.853 -1.475 6.560 346 HA PRO 43 HA PRO 43 91.217 -4.241 9.963 347 HB2 PRO 43 HB2 PRO 43 92.064 -5.668 12.242 348 HB3 PRO 43 HB1 PRO 43 91.400 -6.373 10.757 349 HG2 PRO 43 HG2 PRO 43 94.217 -6.113 11.628 350 HG3 PRO 43 HG1 PRO 43 93.437 -7.382 10.669 351 HD2 PRO 43 HD2 PRO 43 95.047 -5.518 9.532 352 HD3 PRO 43 HD1 PRO 43 93.639 -6.190 8.676 353 H LYS 44 HN LYS 44 90.253 -3.110 11.722 354 HA LYS 44 HA LYS 44 92.126 -1.573 13.476 355 HB2 LYS 44 HB2 LYS 44 90.551 -0.516 11.388 356 HB3 LYS 44 HB1 LYS 44 89.687 -0.101 12.866 357 HG2 LYS 44 HG2 LYS 44 91.215 1.690 12.535 358 HG3 LYS 44 HG1 LYS 44 91.963 0.685 13.776 359 HD2 LYS 44 HD2 LYS 44 93.758 0.966 12.332 360 HD3 LYS 44 HD1 LYS 44 93.056 -0.517 11.682 361 HE2 LYS 44 HE2 LYS 44 93.507 1.054 9.857 362 HE3 LYS 44 HE1 LYS 44 91.767 0.839 10.044 363 HZ1 LYS 44 HZ1 LYS 44 91.655 3.034 10.226 364 HZ2 LYS 44 HZ2 LYS 44 93.341 3.195 10.357 365 HZ3 LYS 44 HZ3 LYS 44 92.404 2.888 11.741 366 H LYS 45 HN LYS 45 90.605 -0.420 15.242 367 HA LYS 45 HA LYS 45 89.246 -2.629 16.608 368 HB2 LYS 45 HB2 LYS 45 88.842 -0.807 18.365 369 HB3 LYS 45 HB1 LYS 45 90.527 -1.206 18.033 370 HG2 LYS 45 HG2 LYS 45 89.308 0.930 16.355 371 HG3 LYS 45 HG1 LYS 45 89.627 1.334 18.042 372 HD2 LYS 45 HD2 LYS 45 91.764 -0.050 16.459 373 HD3 LYS 45 HD1 LYS 45 91.508 1.679 16.217 374 HE2 LYS 45 HE2 LYS 45 92.031 0.329 18.883 375 HE3 LYS 45 HE1 LYS 45 93.199 1.283 17.968 376 HZ1 LYS 45 HZ1 LYS 45 92.382 2.884 19.330 377 HZ2 LYS 45 HZ2 LYS 45 90.853 2.158 19.475 378 HZ3 LYS 45 HZ3 LYS 45 91.253 3.028 18.072 379 H GLY 46 HN GLY 46 87.614 -2.718 14.751 380 HA2 GLY 46 HA2 GLY 46 85.712 -0.622 14.355 381 HA3 GLY 46 HA1 GLY 46 85.441 -2.320 13.962 382 H VAL 47 HN VAL 47 84.962 0.170 16.358 383 HA VAL 47 HA VAL 47 83.823 -1.670 18.337 384 HB VAL 47 HB VAL 47 83.201 0.448 19.524 385 HG11 VAL 47 HG11 VAL 47 86.030 0.063 18.528 386 HG12 VAL 47 HG12 VAL 47 85.341 -0.458 20.066 387 HG13 VAL 47 HG13 VAL 47 85.620 1.257 19.760 388 HG21 VAL 47 HG21 VAL 47 82.845 1.806 17.469 389 HG22 VAL 47 HG22 VAL 47 84.579 1.751 17.154 390 HG23 VAL 47 HG23 VAL 47 83.969 2.582 18.585 391 H GLN 48 HN GLN 48 81.523 -0.318 19.146 392 HA GLN 48 HA GLN 48 79.643 -1.187 17.084 393 HB2 GLN 48 HB2 GLN 48 79.333 -1.407 19.624 394 HB3 GLN 48 HB1 GLN 48 78.956 0.315 19.615 395 HG2 GLN 48 HG2 GLN 48 76.852 -0.783 19.419 396 HG3 GLN 48 HG1 GLN 48 77.238 -0.226 17.790 397 HE21 GLN 48 HE21 GLN 48 79.377 -2.705 18.396 398 HE22 GLN 48 HE22 GLN 48 78.495 -4.000 17.743 399 H GLY 49 HN GLY 49 80.856 0.644 15.693 400 HA2 GLY 49 HA2 GLY 49 79.091 2.495 14.758 401 HA3 GLY 49 HA1 GLY 49 79.772 3.336 16.150 402 H1U RCY 50 H1U RCY 50 82.984 2.283 7.282 403 H1S RCY 50 H1S RCY 50 84.918 0.927 10.539 404 HB1 RCY 50 HB1 RCY 50 83.975 2.855 11.990 405 HB2 RCY 50 HB2 RCY 50 82.379 2.207 12.375 406 HA RCY 50 HA RCY 50 84.405 2.334 14.573 407 HN1 RCY 50 HN1 RCY 50 82.369 1.770 15.600 408 H GLY 51 HN GLY 51 82.245 4.553 15.379 409 HA2 GLY 51 HA2 GLY 51 83.411 6.821 15.760 410 HA3 GLY 51 HA1 GLY 51 83.643 6.816 14.011 411 H ASP 52 HN ASP 52 82.343 8.925 14.408 412 HA ASP 52 HA ASP 52 80.330 10.096 14.150 413 HB2 ASP 52 HB2 ASP 52 79.618 9.238 12.169 414 HB3 ASP 52 HB1 ASP 52 80.081 7.601 12.623 415 H ASP 53 HN ASP 53 78.069 10.207 14.993 416 HA ASP 53 HA ASP 53 77.127 8.179 16.842 417 HB2 ASP 53 HB2 ASP 53 78.924 10.255 17.821 418 HB3 ASP 53 HB1 ASP 53 77.355 10.354 18.618 419 H ILE 54 HN ILE 54 76.386 10.176 14.608 420 HA ILE 54 HA ILE 54 73.857 11.114 15.897 421 HB ILE 54 HB ILE 54 75.569 12.649 13.921 422 HG12 ILE 54 HG12 ILE 54 74.759 13.392 16.743 423 HG13 ILE 54 HG11 ILE 54 76.282 12.584 16.368 424 HG21 ILE 54 HG21 ILE 54 73.286 13.103 13.389 425 HG22 ILE 54 HG22 ILE 54 73.811 14.444 14.406 426 HG23 ILE 54 HG23 ILE 54 72.825 13.152 15.091 427 HD11 ILE 54 HD11 ILE 54 76.850 14.442 14.811 428 HD12 ILE 54 HD12 ILE 54 76.643 15.002 16.470 429 HD13 ILE 54 HD13 ILE 54 75.364 15.264 15.285 430 HA PRO 55 HA PRO 55 72.760 8.698 12.177 431 HB2 PRO 55 HB2 PRO 55 70.355 7.796 13.070 432 HB3 PRO 55 HB1 PRO 55 71.894 7.064 13.564 433 HG2 PRO 55 HG2 PRO 55 70.133 8.936 15.050 434 HG3 PRO 55 HG1 PRO 55 71.103 7.581 15.647 435 HD2 PRO 55 HD2 PRO 55 71.844 10.260 15.828 436 HD3 PRO 55 HD1 PRO 55 72.969 8.889 15.926 437 H GLY 56 HN GLY 56 71.301 9.130 10.459 438 HA2 GLY 56 HA2 GLY 56 68.957 10.333 10.136 439 HA3 GLY 56 HA1 GLY 56 69.888 11.733 10.674 440 H MET 57 HN MET 57 72.272 11.462 9.434 441 HA MET 57 HA MET 57 71.732 11.016 6.542 442 HB2 MET 57 HB2 MET 57 72.632 13.592 7.837 443 HB3 MET 57 HB1 MET 57 73.043 13.224 6.162 444 HG2 MET 57 HG2 MET 57 70.748 13.116 5.518 445 HG3 MET 57 HG1 MET 57 70.205 13.085 7.196 446 HE1 MET 57 HE1 MET 57 68.468 15.258 6.341 447 HE2 MET 57 HE2 MET 57 69.236 14.727 4.847 448 HE3 MET 57 HE3 MET 57 69.188 16.443 5.245 449 H GLU 58 HN GLU 58 73.153 9.249 6.542 450 HA GLU 58 HA GLU 58 75.227 8.150 6.509 451 HB2 GLU 58 HB2 GLU 58 76.351 10.960 6.282 452 HB3 GLU 58 HB1 GLU 58 77.135 9.462 5.784 453 HG2 GLU 58 HG2 GLU 58 76.265 10.288 3.763 454 HG3 GLU 58 HG1 GLU 58 75.033 9.135 4.277 455 H GLY 59 HN GLY 59 74.393 8.105 8.970 456 HA2 GLY 59 HA2 GLY 59 76.769 8.867 10.596 457 HA3 GLY 59 HA1 GLY 59 75.165 9.327 11.169 458 H1U RCY 60 H1U RCY 60 77.418 6.201 5.234 459 H1S RCY 60 H1S RCY 60 78.231 6.547 9.493 460 HB1 RCY 60 HB1 RCY 60 76.298 3.586 10.103 461 HB2 RCY 60 HB2 RCY 60 76.140 3.439 11.851 462 HA RCY 60 HA RCY 60 74.148 4.372 10.303 463 HN1 RCY 60 HN1 RCY 60 74.800 6.492 9.525 464 H GLY 61 HN GLY 61 73.231 3.236 12.079 465 HA2 GLY 61 HA2 GLY 61 73.349 3.333 14.725 466 HA3 GLY 61 HA1 GLY 61 72.726 4.960 14.446 467 H THR 62 HN THR 62 70.795 4.834 12.698 468 HA THR 62 HA THR 62 69.123 2.478 12.822 469 HB THR 62 HB THR 62 68.630 3.045 15.072 470 HG1 THR 62 HG1 THR 62 66.553 3.184 14.805 471 HG21 THR 62 HG21 THR 62 68.031 5.407 15.708 472 HG22 THR 62 HG22 THR 62 68.523 5.908 14.091 473 HG23 THR 62 HG23 THR 62 69.706 5.205 15.194 474 H ASP 63 HN ASP 63 69.836 5.672 11.842 475 HA ASP 63 HA ASP 63 67.423 6.517 10.634 476 HB2 ASP 63 HB2 ASP 63 68.988 7.691 8.977 477 HB3 ASP 63 HB1 ASP 63 69.237 8.065 10.683 478 H ILE 64 HN ILE 64 69.808 4.150 9.558 479 HA ILE 64 HA ILE 64 69.112 3.873 6.861 480 HB ILE 64 HB ILE 64 70.898 2.515 7.511 481 HG12 ILE 64 HG12 ILE 64 68.652 0.495 7.670 482 HG13 ILE 64 HG11 ILE 64 69.089 1.289 6.156 483 HG21 ILE 64 HG21 ILE 64 69.128 1.738 9.837 484 HG22 ILE 64 HG22 ILE 64 70.674 2.586 9.886 485 HG23 ILE 64 HG23 ILE 64 70.620 0.876 9.460 486 HD11 ILE 64 HD11 ILE 64 71.277 0.358 6.176 487 HD12 ILE 64 HD12 ILE 64 70.212 -0.972 6.629 488 HD13 ILE 64 HD13 ILE 64 71.139 -0.125 7.867 489 H THR 65 HN THR 65 67.181 3.361 9.585 490 HA THR 65 HA THR 65 65.196 2.018 9.885 491 HB THR 65 HB THR 65 64.633 3.835 7.519 492 HG1 THR 65 HG1 THR 65 64.886 4.178 10.256 493 HG21 THR 65 HG21 THR 65 62.318 3.639 8.964 494 HG22 THR 65 HG22 THR 65 62.963 2.004 9.119 495 HG23 THR 65 HG23 THR 65 62.671 2.689 7.520 496 H VAL 66 HN VAL 66 66.956 0.383 8.516 497 HA VAL 66 HA VAL 66 66.939 -1.551 7.184 498 HB VAL 66 HB VAL 66 64.055 -1.032 6.473 499 HG11 VAL 66 HG11 VAL 66 65.541 -3.573 7.200 500 HG12 VAL 66 HG12 VAL 66 65.367 -2.978 5.548 501 HG13 VAL 66 HG13 VAL 66 63.940 -3.449 6.471 502 HG21 VAL 66 HG21 VAL 66 63.716 -2.464 8.688 503 HG22 VAL 66 HG22 VAL 66 63.800 -0.704 8.758 504 HG23 VAL 66 HG23 VAL 66 65.219 -1.671 9.160 505 H ILE 67 HN ILE 67 65.329 1.325 5.979 506 HA ILE 67 HA ILE 67 66.766 1.014 3.394 507 HB ILE 67 HB ILE 67 63.836 1.726 3.767 508 HG12 ILE 67 HG12 ILE 67 64.364 -0.688 3.642 509 HG13 ILE 67 HG11 ILE 67 63.493 -0.154 2.204 510 HG21 ILE 67 HG21 ILE 67 63.975 1.947 1.196 511 HG22 ILE 67 HG22 ILE 67 65.714 2.116 1.435 512 HG23 ILE 67 HG23 ILE 67 64.608 3.284 2.157 513 HD11 ILE 67 HD11 ILE 67 65.202 -1.268 1.148 514 HD12 ILE 67 HD12 ILE 67 66.323 -1.032 2.488 515 HD13 ILE 67 HD13 ILE 67 66.010 0.286 1.358 516 H1U RCY 68 H1U RCY 68 71.671 4.373 -0.756 517 H1S RCY 68 H1S RCY 68 70.611 1.791 2.809 518 HB1 RCY 68 HB1 RCY 68 69.740 5.339 5.409 519 HB2 RCY 68 HB2 RCY 68 69.867 5.323 3.651 520 HA RCY 68 HA RCY 68 67.497 5.056 5.321 521 HN1 RCY 68 HN1 RCY 68 68.245 2.610 4.035 522 HA PRO 69 HA PRO 69 65.593 7.092 1.875 523 HB2 PRO 69 HB2 PRO 69 65.913 9.715 2.739 524 HB3 PRO 69 HB1 PRO 69 64.610 8.627 3.247 525 HG2 PRO 69 HG2 PRO 69 67.097 9.390 4.663 526 HG3 PRO 69 HG1 PRO 69 65.495 9.009 5.312 527 HD2 PRO 69 HD2 PRO 69 67.615 7.265 5.411 528 HD3 PRO 69 HD1 PRO 69 65.918 6.739 5.382 529 H TRP 70 HN TRP 70 68.710 8.477 2.998 530 HA TRP 70 HA TRP 70 69.219 9.699 0.409 531 HD1 TRP 70 HD1 TRP 70 69.046 10.182 4.219 532 HE1 TRP 70 HE1 TRP 70 69.760 8.864 6.314 533 HE3 TRP 70 HE3 TRP 70 73.148 7.760 2.380 534 HZ2 TRP 70 HZ2 TRP 70 71.805 7.021 7.108 535 HZ3 TRP 70 HZ3 TRP 70 74.457 6.233 3.822 536 HH2 TRP 70 HH2 TRP 70 73.794 5.859 6.180 537 HB2 TRP 70 HB2 TRP 70 71.688 9.625 1.472 538 HB3 TRP 70 HB1 TRP 70 70.488 10.811 1.977 539 H GLU 71 HN GLU 71 68.678 6.697 0.739 540 HA GLU 71 HA GLU 71 70.455 5.839 -1.364 541 HB2 GLU 71 HB2 GLU 71 71.855 5.751 0.839 542 HB3 GLU 71 HB1 GLU 71 70.877 4.332 1.214 543 HG2 GLU 71 HG2 GLU 71 72.564 4.727 -1.275 544 HG3 GLU 71 HG1 GLU 71 72.935 3.649 0.070 545 H ALA 72 HN ALA 72 68.114 5.532 -1.987 546 HA ALA 72 HA ALA 72 66.482 3.564 -0.681 547 HB1 ALA 72 HB1 ALA 72 65.407 5.091 -2.184 548 HB2 ALA 72 HB2 ALA 72 65.295 3.500 -2.937 549 HB3 ALA 72 HB3 ALA 72 66.496 4.661 -3.503 550 H1U RCY 73 H1U RCY 73 73.113 -0.543 -3.863 551 H1S RCY 73 H1S RCY 73 69.926 -2.921 -2.890 552 HB1 RCY 73 HB1 RCY 73 66.455 -1.073 -0.903 553 HB2 RCY 73 HB2 RCY 73 67.893 -0.856 0.094 554 HA RCY 73 HA RCY 73 69.092 0.112 -1.826 555 HN1 RCY 73 HN1 RCY 73 67.016 1.440 -0.511 556 H ASN 74 HN ASN 74 69.246 0.415 -4.042 557 HA ASN 74 HA ASN 74 67.041 -0.766 -5.686 558 HB2 ASN 74 HB2 ASN 74 67.828 1.000 -7.436 559 HB3 ASN 74 HB1 ASN 74 66.781 1.533 -6.120 560 HD21 ASN 74 HD21 ASN 74 67.542 3.614 -5.622 561 HD22 ASN 74 HD22 ASN 74 69.164 3.984 -5.282 562 H HIS 75 HN HIS 75 69.900 0.664 -7.081 563 HA HIS 75 HA HIS 75 71.570 -1.671 -7.061 564 HD1 HIS 75 HD1 HIS 75 69.943 0.846 -9.335 565 HD2 HIS 75 HD2 HIS 75 67.774 -2.645 -10.045 566 HE1 HIS 75 HE1 HIS 75 67.760 1.564 -10.399 567 HE2 HIS 75 HE2 HIS 75 66.430 -0.552 -10.836 568 HB2 HIS 75 HB2 HIS 75 71.188 -2.053 -9.642 569 HB3 HIS 75 HB1 HIS 75 70.115 -2.827 -8.477 570 H1U RCY 76 H1U RCY 76 77.000 2.175 -4.089 571 H1S RCY 76 H1S RCY 76 75.710 0.938 -6.807 572 HB1 RCY 76 HB1 RCY 76 73.512 2.569 -8.746 573 HB2 RCY 76 HB2 RCY 76 75.198 2.373 -8.266 574 HA RCY 76 HA RCY 76 74.064 0.747 -10.061 575 HN1 RCY 76 HN1 RCY 76 73.561 -1.251 -8.141 576 H GLU 77 HN GLU 77 76.314 0.859 -10.536 577 HA GLU 77 HA GLU 77 77.887 -1.365 -9.658 578 HB2 GLU 77 HB2 GLU 77 78.595 1.184 -11.123 579 HB3 GLU 77 HB1 GLU 77 79.789 -0.065 -10.771 580 HG2 GLU 77 HG2 GLU 77 78.859 -0.406 -13.015 581 HG3 GLU 77 HG1 GLU 77 78.370 -1.727 -11.953 582 H LEU 78 HN LEU 78 79.786 -1.361 -8.310 583 HA LEU 78 HA LEU 78 79.931 0.944 -6.400 584 HG LEU 78 HG LEU 78 78.335 0.305 -5.048 585 HB2 LEU 78 HB2 LEU 78 80.020 -2.034 -5.886 586 HB3 LEU 78 HB1 LEU 78 80.685 -0.878 -4.734 587 HD11 LEU 78 HD11 LEU 78 77.444 -2.541 -5.389 588 HD12 LEU 78 HD12 LEU 78 77.851 -1.593 -6.819 589 HD13 LEU 78 HD13 LEU 78 76.570 -1.049 -5.736 590 HD21 LEU 78 HD21 LEU 78 79.098 -0.532 -2.909 591 HD22 LEU 78 HD22 LEU 78 78.848 -2.201 -3.419 592 HD23 LEU 78 HD23 LEU 78 77.463 -1.139 -3.167 593 H HIS 79 HN HIS 79 81.621 -1.251 -8.476 594 HA HIS 79 HA HIS 79 84.096 0.256 -8.055 595 HD1 HIS 79 HD1 HIS 79 84.944 -0.328 -4.875 596 HD2 HIS 79 HD2 HIS 79 87.250 -1.412 -8.178 597 HE1 HIS 79 HE1 HIS 79 87.279 0.550 -4.437 598 HE2 HIS 79 HE2 HIS 79 88.693 -0.103 -6.440 599 HB2 HIS 79 HB2 HIS 79 83.739 -1.959 -6.433 600 HB3 HIS 79 HB1 HIS 79 84.649 -2.628 -7.785 601 H GLU 80 HN GLU 80 85.875 -1.440 -9.334 602 HA GLU 80 HA GLU 80 84.989 -1.205 -12.082 603 HB2 GLU 80 HB2 GLU 80 87.437 -2.562 -10.907 604 HB3 GLU 80 HB1 GLU 80 87.181 -2.239 -12.623 605 HG2 GLU 80 HG2 GLU 80 87.193 0.134 -12.266 606 HG3 GLU 80 HG1 GLU 80 87.133 -0.068 -10.514 607 H LEU 81 HN LEU 81 86.008 -4.091 -10.198 608 HA LEU 81 HA LEU 81 84.595 -5.816 -12.127 609 HG LEU 81 HG LEU 81 85.730 -5.620 -8.779 610 HB2 LEU 81 HB2 LEU 81 85.463 -7.655 -10.611 611 HB3 LEU 81 HB1 LEU 81 86.708 -6.658 -11.362 612 HD11 LEU 81 HD11 LEU 81 87.254 -8.240 -8.932 613 HD12 LEU 81 HD12 LEU 81 85.641 -8.009 -8.257 614 HD13 LEU 81 HD13 LEU 81 87.040 -7.285 -7.464 615 HD21 LEU 81 HD21 LEU 81 87.676 -4.735 -10.074 616 HD22 LEU 81 HD22 LEU 81 88.501 -6.275 -9.830 617 HD23 LEU 81 HD23 LEU 81 88.124 -5.248 -8.447 618 H ALA 82 HN ALA 82 83.164 -3.924 -10.211 619 HA ALA 82 HA ALA 82 81.859 -5.504 -8.199 620 HB1 ALA 82 HB1 ALA 82 80.213 -3.658 -8.131 621 HB2 ALA 82 HB2 ALA 82 80.902 -2.996 -9.611 622 HB3 ALA 82 HB3 ALA 82 81.865 -3.046 -8.136 623 H GLN 83 HN GLN 83 81.535 -7.416 -9.777 624 HA GLN 83 HA GLN 83 79.488 -7.238 -11.801 625 HB2 GLN 83 HB2 GLN 83 80.527 -9.620 -10.232 626 HB3 GLN 83 HB1 GLN 83 79.454 -9.732 -11.628 627 HG2 GLN 83 HG2 GLN 83 81.171 -8.485 -12.970 628 HG3 GLN 83 HG1 GLN 83 82.257 -8.581 -11.583 629 HE21 GLN 83 HE21 GLN 83 83.798 -10.105 -12.313 630 HE22 GLN 83 HE22 GLN 83 83.405 -11.675 -12.826 631 H TYR 84 HN TYR 84 79.407 -7.389 -8.359 632 HA TYR 84 HA TYR 84 76.485 -7.271 -8.394 633 HD1 TYR 84 HD2 TYR 84 74.637 -8.685 -8.738 634 HD2 TYR 84 HD1 TYR 84 78.138 -11.152 -9.063 635 HE1 TYR 84 HE2 TYR 84 73.669 -9.795 -10.734 636 HE2 TYR 84 HE1 TYR 84 77.171 -12.262 -11.059 637 HH TYR 84 HH TYR 84 75.043 -11.191 -12.906 638 HB2 TYR 84 HB2 TYR 84 77.957 -9.667 -7.277 639 HB3 TYR 84 HB1 TYR 84 76.337 -9.226 -6.739 640 H GLY 85 HN GLY 85 78.937 -5.760 -7.429 641 HA2 GLY 85 HA2 GLY 85 79.334 -4.322 -5.608 642 HA3 GLY 85 HA1 GLY 85 77.801 -4.862 -4.924 643 H ILE 86 HN ILE 86 81.259 -5.502 -5.061 644 HA ILE 86 HA ILE 86 81.008 -7.758 -3.169 645 HB ILE 86 HB ILE 86 83.481 -6.394 -4.284 646 HG12 ILE 86 HG12 ILE 86 82.283 -9.055 -5.089 647 HG13 ILE 86 HG11 ILE 86 81.905 -7.553 -5.934 648 HG21 ILE 86 HG21 ILE 86 83.966 -7.567 -2.210 649 HG22 ILE 86 HG22 ILE 86 84.581 -8.527 -3.555 650 HG23 ILE 86 HG23 ILE 86 83.074 -8.985 -2.761 651 HD11 ILE 86 HD11 ILE 86 84.193 -7.228 -6.567 652 HD12 ILE 86 HD12 ILE 86 83.814 -8.912 -6.931 653 HD13 ILE 86 HD13 ILE 86 84.741 -8.509 -5.486 654 H1U RCY 87 H1U RCY 87 76.272 -2.710 -1.419 655 H1S RCY 87 H1S RCY 87 80.091 -5.499 -0.340 656 HB1 RCY 87 HB1 RCY 87 81.169 -6.019 2.288 657 HB2 RCY 87 HB2 RCY 87 81.894 -7.502 1.669 658 HA RCY 87 HA RCY 87 81.385 -4.915 0.195 659 HN1 RCY 87 HN1 RCY 87 81.292 -7.556 -0.982 Start of MODEL 92 1 HA MET 1 HA MET 1 55.575 -15.317 18.981 2 HB2 MET 1 HB2 MET 1 58.350 -15.896 20.064 3 HB3 MET 1 HB1 MET 1 56.875 -15.832 21.029 4 HG2 MET 1 HG2 MET 1 57.227 -18.144 20.546 5 HG3 MET 1 HG1 MET 1 55.938 -17.621 19.462 6 HE1 MET 1 HE1 MET 1 57.148 -20.093 19.106 7 HE2 MET 1 HE2 MET 1 58.885 -19.945 19.363 8 HE3 MET 1 HE3 MET 1 58.268 -20.329 17.758 9 H ASN 2 HN ASN 2 56.653 -13.072 17.511 10 HA ASN 2 HA ASN 2 56.440 -11.035 19.526 11 HB2 ASN 2 HB2 ASN 2 58.784 -10.113 19.213 12 HB3 ASN 2 HB1 ASN 2 58.694 -11.607 20.146 13 HD21 ASN 2 HD21 ASN 2 61.106 -10.911 18.807 14 HD22 ASN 2 HD22 ASN 2 61.355 -11.998 17.527 15 H LEU 3 HN LEU 3 58.731 -9.952 17.356 16 HA LEU 3 HA LEU 3 56.849 -8.339 15.909 17 HG LEU 3 HG LEU 3 59.546 -6.550 14.321 18 HB2 LEU 3 HB2 LEU 3 59.454 -8.057 16.339 19 HB3 LEU 3 HB1 LEU 3 59.585 -8.923 14.811 20 HD11 LEU 3 HD11 LEU 3 57.734 -6.486 12.773 21 HD12 LEU 3 HD12 LEU 3 56.746 -7.552 13.773 22 HD13 LEU 3 HD13 LEU 3 58.155 -8.192 12.927 23 HD21 LEU 3 HD21 LEU 3 58.138 -6.255 16.605 24 HD22 LEU 3 HD22 LEU 3 56.814 -6.169 15.443 25 HD23 LEU 3 HD23 LEU 3 58.155 -5.028 15.338 26 H GLU 4 HN GLU 4 55.384 -9.328 14.573 27 HA GLU 4 HA GLU 4 55.962 -11.786 13.168 28 HB2 GLU 4 HB2 GLU 4 53.762 -11.594 12.259 29 HB3 GLU 4 HB1 GLU 4 53.660 -10.935 13.889 30 HG2 GLU 4 HG2 GLU 4 53.857 -9.388 11.292 31 HG3 GLU 4 HG1 GLU 4 52.518 -9.388 12.440 32 HA PRO 5 HA PRO 5 58.170 -10.582 9.541 33 HB2 PRO 5 HB2 PRO 5 55.823 -11.727 8.061 34 HB3 PRO 5 HB1 PRO 5 57.558 -11.995 7.797 35 HG2 PRO 5 HG2 PRO 5 56.017 -13.774 9.080 36 HG3 PRO 5 HG1 PRO 5 57.719 -13.520 9.495 37 HD2 PRO 5 HD2 PRO 5 55.307 -12.805 11.039 38 HD3 PRO 5 HD1 PRO 5 56.987 -12.973 11.591 39 HA PRO 6 HA PRO 6 55.966 -6.767 8.564 40 HB2 PRO 6 HB2 PRO 6 57.925 -5.537 7.145 41 HB3 PRO 6 HB1 PRO 6 58.009 -5.723 8.909 42 HG2 PRO 6 HG2 PRO 6 59.370 -7.300 6.782 43 HG3 PRO 6 HG1 PRO 6 59.985 -6.750 8.350 44 HD2 PRO 6 HD2 PRO 6 59.084 -9.319 7.866 45 HD3 PRO 6 HD1 PRO 6 59.108 -8.561 9.474 46 H LYS 7 HN LYS 7 55.193 -5.624 6.597 47 HA LYS 7 HA LYS 7 55.714 -6.668 3.963 48 HB2 LYS 7 HB2 LYS 7 54.225 -8.445 5.185 49 HB3 LYS 7 HB1 LYS 7 52.925 -7.290 4.911 50 HG2 LYS 7 HG2 LYS 7 54.751 -8.232 2.690 51 HG3 LYS 7 HG1 LYS 7 53.240 -9.051 3.088 52 HD2 LYS 7 HD2 LYS 7 52.239 -7.575 1.699 53 HD3 LYS 7 HD1 LYS 7 52.503 -6.376 2.966 54 HE2 LYS 7 HE2 LYS 7 53.471 -5.414 1.025 55 HE3 LYS 7 HE1 LYS 7 54.840 -6.054 1.934 56 HZ1 LYS 7 HZ1 LYS 7 53.624 -7.041 -0.542 57 HZ2 LYS 7 HZ2 LYS 7 54.316 -8.173 0.520 58 HZ3 LYS 7 HZ3 LYS 7 55.262 -6.914 -0.118 59 H ALA 8 HN ALA 8 52.643 -5.597 5.359 60 HA ALA 8 HA ALA 8 52.437 -3.449 3.401 61 HB1 ALA 8 HB1 ALA 8 50.292 -3.014 4.353 62 HB2 ALA 8 HB2 ALA 8 50.729 -3.792 5.874 63 HB3 ALA 8 HB3 ALA 8 50.489 -4.765 4.423 64 H GLU 9 HN GLU 9 53.187 -1.398 3.655 65 HA GLU 9 HA GLU 9 53.449 -0.229 6.348 66 HB2 GLU 9 HB2 GLU 9 55.592 -1.395 6.098 67 HB3 GLU 9 HB1 GLU 9 55.845 -0.631 4.529 68 HG2 GLU 9 HG2 GLU 9 56.035 1.542 5.515 69 HG3 GLU 9 HG1 GLU 9 55.453 0.958 7.074 70 H1U RCY 10 H1U RCY 10 56.484 -3.096 1.116 71 H1S RCY 10 H1S RCY 10 56.884 0.443 3.176 72 HB1 RCY 10 HB1 RCY 10 54.639 3.449 3.729 73 HB2 RCY 10 HB2 RCY 10 54.444 4.028 2.075 74 HA RCY 10 HA RCY 10 52.525 2.623 2.790 75 HN1 RCY 10 HN1 RCY 10 53.905 0.093 2.847 76 H ARG 11 HN ARG 11 52.589 0.013 1.427 77 HA ARG 11 HA ARG 11 52.471 1.021 -1.323 78 HE ARG 11 HE ARG 11 55.667 -3.820 0.134 79 HB2 ARG 11 HB2 ARG 11 54.047 -0.657 -2.224 80 HB3 ARG 11 HB1 ARG 11 54.864 0.446 -1.116 81 HG2 ARG 11 HG2 ARG 11 54.390 -1.288 0.714 82 HG3 ARG 11 HG1 ARG 11 53.979 -2.396 -0.595 83 HD2 ARG 11 HD2 ARG 11 56.256 -1.790 -1.612 84 HD3 ARG 11 HD1 ARG 11 56.635 -1.063 -0.050 85 HH11 ARG 11 HH21 ARG 11 58.335 -1.674 -0.276 86 HH12 ARG 11 HH22 ARG 11 59.507 -2.807 0.310 87 HH21 ARG 11 HH11 ARG 11 57.182 -5.311 0.901 88 HH22 ARG 11 HH12 ARG 11 58.854 -4.866 0.977 89 H SER 12 HN SER 12 52.501 -1.585 -2.533 90 HA SER 12 HA SER 12 50.910 -3.521 -1.212 91 HG SER 12 HG SER 12 48.416 -3.915 -2.189 92 HB2 SER 12 HB2 SER 12 49.047 -2.127 -1.020 93 HB3 SER 12 HB1 SER 12 49.404 -1.275 -2.520 94 H ALA 13 HN ALA 13 51.751 -1.882 -4.204 95 HA ALA 13 HA ALA 13 52.439 -4.364 -5.497 96 HB1 ALA 13 HB1 ALA 13 50.117 -4.737 -5.850 97 HB2 ALA 13 HB2 ALA 13 50.700 -4.059 -7.370 98 HB3 ALA 13 HB3 ALA 13 49.823 -3.040 -6.229 99 H THR 14 HN THR 14 54.313 -3.481 -6.298 100 HA THR 14 HA THR 14 54.037 -1.361 -8.340 101 HB THR 14 HB THR 14 56.017 -1.077 -6.062 102 HG1 THR 14 HG1 THR 14 54.611 0.639 -5.435 103 HG21 THR 14 HG21 THR 14 56.098 1.282 -7.039 104 HG22 THR 14 HG22 THR 14 55.223 0.632 -8.425 105 HG23 THR 14 HG23 THR 14 56.825 0.012 -8.023 106 H ARG 15 HN ARG 15 54.533 -3.648 -9.320 107 HA ARG 15 HA ARG 15 57.293 -4.560 -9.103 108 HE ARG 15 HE ARG 15 55.896 -6.801 -12.938 109 HB2 ARG 15 HB2 ARG 15 56.665 -6.048 -11.010 110 HB3 ARG 15 HB1 ARG 15 55.533 -6.161 -9.662 111 HG2 ARG 15 HG2 ARG 15 54.059 -4.505 -10.818 112 HG3 ARG 15 HG1 ARG 15 55.157 -4.543 -12.198 113 HD2 ARG 15 HD2 ARG 15 53.693 -6.945 -11.063 114 HD3 ARG 15 HD1 ARG 15 53.237 -6.073 -12.527 115 HH11 ARG 15 HH21 ARG 15 52.920 -8.356 -12.156 116 HH12 ARG 15 HH22 ARG 15 53.333 -9.839 -12.950 117 HH21 ARG 15 HH11 ARG 15 56.452 -8.728 -13.980 118 HH22 ARG 15 HH12 ARG 15 55.333 -10.050 -13.983 119 H VAL 16 HN VAL 16 56.925 -1.749 -9.851 120 HA VAL 16 HA VAL 16 57.176 -1.121 -12.548 121 HB VAL 16 HB VAL 16 57.219 0.570 -10.750 122 HG11 VAL 16 HG11 VAL 16 58.757 -0.808 -9.274 123 HG12 VAL 16 HG12 VAL 16 59.166 0.905 -9.378 124 HG13 VAL 16 HG13 VAL 16 60.091 -0.281 -10.300 125 HG21 VAL 16 HG21 VAL 16 58.207 0.982 -13.074 126 HG22 VAL 16 HG22 VAL 16 59.791 0.744 -12.337 127 HG23 VAL 16 HG23 VAL 16 58.760 2.070 -11.801 128 H MET 17 HN MET 17 58.864 -1.192 -14.073 129 HA MET 17 HA MET 17 61.559 -1.960 -13.391 130 HB2 MET 17 HB2 MET 17 60.296 -4.140 -13.089 131 HB3 MET 17 HB1 MET 17 59.936 -4.087 -14.814 132 HG2 MET 17 HG2 MET 17 62.783 -3.677 -14.089 133 HG3 MET 17 HG1 MET 17 62.145 -5.294 -13.791 134 HE1 MET 17 HE1 MET 17 61.578 -6.972 -15.401 135 HE2 MET 17 HE2 MET 17 63.321 -6.724 -15.457 136 HE3 MET 17 HE3 MET 17 62.427 -6.985 -16.952 137 H GLY 18 HN GLY 18 61.485 0.067 -14.779 138 HA2 GLY 18 HA2 GLY 18 60.751 -0.144 -17.568 139 HA3 GLY 18 HA1 GLY 18 61.742 1.135 -16.863 140 H GLY 19 HN GLY 19 61.894 -1.134 -19.170 141 HA2 GLY 19 HA2 GLY 19 64.373 -2.487 -18.634 142 HA3 GLY 19 HA1 GLY 19 63.647 -2.286 -20.228 143 HA PRO 20 HA PRO 20 66.374 0.820 -21.718 144 HB2 PRO 20 HB2 PRO 20 64.282 2.910 -21.212 145 HB3 PRO 20 HB1 PRO 20 65.243 2.609 -22.673 146 HG2 PRO 20 HG2 PRO 20 62.692 1.839 -22.477 147 HG3 PRO 20 HG1 PRO 20 63.893 0.895 -23.372 148 HD2 PRO 20 HD2 PRO 20 62.590 0.282 -20.781 149 HD3 PRO 20 HD1 PRO 20 63.346 -0.820 -21.952 150 H1U RCY 21 H1U RCY 21 67.615 -3.098 -13.605 151 H1S RCY 21 H1S RCY 21 67.898 1.643 -13.465 152 HB1 RCY 21 HB1 RCY 21 68.652 0.556 -17.053 153 HB2 RCY 21 HB2 RCY 21 66.924 0.907 -17.042 154 HA RCY 21 HA RCY 21 67.627 3.167 -18.152 155 HN1 RCY 21 HN1 RCY 21 67.835 0.769 -19.912 156 H THR 22 HN THR 22 69.331 4.308 -18.985 157 HA THR 22 HA THR 22 71.727 3.084 -20.003 158 HB THR 22 HB THR 22 70.642 5.514 -20.329 159 HG1 THR 22 HG1 THR 22 72.624 4.414 -21.243 160 HG21 THR 22 HG21 THR 22 71.683 7.214 -19.039 161 HG22 THR 22 HG22 THR 22 72.872 6.092 -18.377 162 HG23 THR 22 HG23 THR 22 71.187 5.995 -17.865 163 HA PRO 23 HA PRO 23 74.253 2.525 -16.430 164 HB2 PRO 23 HB2 PRO 23 76.315 4.463 -17.328 165 HB3 PRO 23 HB1 PRO 23 76.455 2.717 -17.050 166 HG2 PRO 23 HG2 PRO 23 76.456 3.768 -19.508 167 HG3 PRO 23 HG1 PRO 23 75.719 2.194 -19.162 168 HD2 PRO 23 HD2 PRO 23 74.377 4.846 -19.606 169 HD3 PRO 23 HD1 PRO 23 73.862 3.222 -20.120 170 H ARG 24 HN ARG 24 72.296 4.668 -16.198 171 HA ARG 24 HA ARG 24 71.845 6.647 -14.988 172 HE ARG 24 HE ARG 24 75.603 5.228 -10.284 173 HB2 ARG 24 HB2 ARG 24 72.335 6.352 -12.620 174 HB3 ARG 24 HB1 ARG 24 71.854 4.805 -13.314 175 HG2 ARG 24 HG2 ARG 24 74.149 4.066 -13.448 176 HG3 ARG 24 HG1 ARG 24 74.744 5.667 -13.006 177 HD2 ARG 24 HD2 ARG 24 73.307 5.327 -10.848 178 HD3 ARG 24 HD1 ARG 24 73.375 3.619 -11.278 179 HH11 ARG 24 HH21 ARG 24 74.568 2.495 -12.113 180 HH12 ARG 24 HH22 ARG 24 76.048 1.622 -11.895 181 HH21 ARG 24 HH11 ARG 24 77.542 4.103 -9.989 182 HH22 ARG 24 HH12 ARG 24 77.731 2.532 -10.693 183 H LYS 25 HN LYS 25 74.344 6.768 -16.630 184 HA LYS 25 HA LYS 25 76.330 8.185 -15.061 185 HB2 LYS 25 HB2 LYS 25 77.309 8.761 -17.263 186 HB3 LYS 25 HB1 LYS 25 76.936 7.042 -17.150 187 HG2 LYS 25 HG2 LYS 25 75.856 7.364 -19.128 188 HG3 LYS 25 HG1 LYS 25 74.575 8.045 -18.125 189 HD2 LYS 25 HD2 LYS 25 74.934 9.764 -19.666 190 HD3 LYS 25 HD1 LYS 25 75.968 10.260 -18.326 191 HE2 LYS 25 HE2 LYS 25 77.300 10.458 -20.309 192 HE3 LYS 25 HE1 LYS 25 77.860 9.006 -19.479 193 HZ1 LYS 25 HZ1 LYS 25 75.985 7.937 -20.972 194 HZ2 LYS 25 HZ2 LYS 25 77.570 8.159 -21.543 195 HZ3 LYS 25 HZ3 LYS 25 76.350 9.264 -21.965 196 H GLY 26 HN GLY 26 76.896 10.522 -15.592 197 HA2 GLY 26 HA2 GLY 26 75.255 12.401 -16.806 198 HA3 GLY 26 HA1 GLY 26 74.534 12.173 -15.212 199 HA PRO 27 HA PRO 27 77.758 15.618 -15.084 200 HB2 PRO 27 HB2 PRO 27 75.788 16.349 -12.948 201 HB3 PRO 27 HB1 PRO 27 76.608 17.391 -14.129 202 HG2 PRO 27 HG2 PRO 27 74.055 16.693 -14.422 203 HG3 PRO 27 HG1 PRO 27 75.139 16.864 -15.813 204 HD2 PRO 27 HD2 PRO 27 74.054 14.381 -14.571 205 HD3 PRO 27 HD1 PRO 27 74.541 14.683 -16.254 206 HA PRO 28 HA PRO 28 80.331 14.075 -11.833 207 HB2 PRO 28 HB2 PRO 28 80.055 16.792 -10.591 208 HB3 PRO 28 HB1 PRO 28 81.519 15.835 -10.892 209 HG2 PRO 28 HG2 PRO 28 80.774 17.889 -12.465 210 HG3 PRO 28 HG1 PRO 28 81.658 16.481 -13.072 211 HD2 PRO 28 HD2 PRO 28 78.872 17.273 -13.588 212 HD3 PRO 28 HD1 PRO 28 79.886 16.105 -14.461 213 H LYS 29 HN LYS 29 80.250 13.495 -9.535 214 HA LYS 29 HA LYS 29 77.767 12.727 -8.540 215 HB2 LYS 29 HB2 LYS 29 80.324 12.422 -7.682 216 HB3 LYS 29 HB1 LYS 29 79.750 13.584 -6.490 217 HG2 LYS 29 HG2 LYS 29 79.198 11.516 -5.512 218 HG3 LYS 29 HG1 LYS 29 77.687 12.004 -6.279 219 HD2 LYS 29 HD2 LYS 29 77.998 10.521 -8.098 220 HD3 LYS 29 HD1 LYS 29 79.709 10.299 -7.733 221 HE2 LYS 29 HE2 LYS 29 79.211 9.023 -5.761 222 HE3 LYS 29 HE1 LYS 29 77.500 9.443 -5.849 223 HZ1 LYS 29 HZ1 LYS 29 78.590 8.182 -8.217 224 HZ2 LYS 29 HZ2 LYS 29 77.114 7.912 -7.420 225 HZ3 LYS 29 HZ3 LYS 29 78.539 7.192 -6.840 226 H1U RCY 30 H1U RCY 30 79.253 12.077 -9.134 227 H1S RCY 30 H1S RCY 30 75.996 13.772 -7.226 228 HB1 RCY 30 HB1 RCY 30 73.717 16.362 -6.983 229 HB2 RCY 30 HB2 RCY 30 74.252 15.216 -5.757 230 HA RCY 30 HA RCY 30 75.835 16.681 -7.815 231 HN1 RCY 30 HN1 RCY 30 76.029 13.922 -7.946 232 H LYS 31 HN LYS 31 75.697 14.881 -4.750 233 HA LYS 31 HA LYS 31 77.831 16.596 -3.624 234 HB2 LYS 31 HB2 LYS 31 76.122 16.917 -1.610 235 HB3 LYS 31 HB1 LYS 31 76.104 18.017 -2.988 236 HG2 LYS 31 HG2 LYS 31 74.207 17.010 -3.934 237 HG3 LYS 31 HG1 LYS 31 74.432 15.515 -3.026 238 HD2 LYS 31 HD2 LYS 31 73.611 16.448 -1.036 239 HD3 LYS 31 HD1 LYS 31 73.901 18.101 -1.580 240 HE2 LYS 31 HE2 LYS 31 72.076 17.986 -3.148 241 HE3 LYS 31 HE1 LYS 31 71.879 16.255 -2.875 242 HZ1 LYS 31 HZ1 LYS 31 70.881 18.463 -1.351 243 HZ2 LYS 31 HZ2 LYS 31 71.707 17.335 -0.385 244 HZ3 LYS 31 HZ3 LYS 31 70.396 16.838 -1.344 245 H GLN 32 HN GLN 32 75.662 15.192 -1.394 246 HA GLN 32 HA GLN 32 76.870 12.539 -1.349 247 HB2 GLN 32 HB2 GLN 32 78.683 13.855 -0.325 248 HB3 GLN 32 HB1 GLN 32 77.545 14.516 0.849 249 HG2 GLN 32 HG2 GLN 32 77.266 12.446 1.933 250 HG3 GLN 32 HG1 GLN 32 77.882 11.537 0.552 251 HE21 GLN 32 HE21 GLN 32 78.809 13.304 3.439 252 HE22 GLN 32 HE22 GLN 32 80.476 13.003 3.320 253 H ARG 33 HN ARG 33 75.954 14.211 1.571 254 HA ARG 33 HA ARG 33 73.145 13.594 1.470 255 HE ARG 33 HE ARG 33 71.238 10.112 4.721 256 HB2 ARG 33 HB2 ARG 33 74.070 11.289 1.654 257 HB3 ARG 33 HB1 ARG 33 74.867 11.751 3.157 258 HG2 ARG 33 HG2 ARG 33 72.956 11.520 4.342 259 HG3 ARG 33 HG1 ARG 33 72.042 12.475 3.174 260 HD2 ARG 33 HD2 ARG 33 71.491 10.609 1.878 261 HD3 ARG 33 HD1 ARG 33 72.846 9.660 2.491 262 HH11 ARG 33 HH21 ARG 33 70.886 8.792 1.555 263 HH12 ARG 33 HH22 ARG 33 69.651 7.669 2.016 264 HH21 ARG 33 HH11 ARG 33 69.627 8.653 5.341 265 HH22 ARG 33 HH12 ARG 33 68.937 7.590 4.160 266 H GLN 34 HN GLN 34 75.282 15.586 2.367 267 HA GLN 34 HA GLN 34 75.628 17.081 4.142 268 HB2 GLN 34 HB2 GLN 34 73.088 17.260 3.506 269 HB3 GLN 34 HB1 GLN 34 72.828 16.451 5.052 270 HG2 GLN 34 HG2 GLN 34 74.103 18.206 6.206 271 HG3 GLN 34 HG1 GLN 34 74.416 19.007 4.666 272 HE21 GLN 34 HE21 GLN 34 72.604 20.093 3.601 273 HE22 GLN 34 HE22 GLN 34 71.166 20.433 4.438 274 H THR 35 HN THR 35 76.556 14.492 4.704 275 HA THR 35 HA THR 35 75.673 13.944 7.497 276 HB THR 35 HB THR 35 75.761 11.976 6.092 277 HG1 THR 35 HG1 THR 35 77.627 10.904 7.159 278 HG21 THR 35 HG21 THR 35 78.466 13.074 5.346 279 HG22 THR 35 HG22 THR 35 77.145 12.584 4.285 280 HG23 THR 35 HG23 THR 35 78.091 11.363 5.136 281 H ARG 36 HN ARG 36 78.576 12.662 7.544 282 HA ARG 36 HA ARG 36 80.311 14.986 7.727 283 HE ARG 36 HE ARG 36 80.115 18.698 10.670 284 HB2 ARG 36 HB2 ARG 36 79.030 13.832 10.190 285 HB3 ARG 36 HB1 ARG 36 80.691 14.413 10.290 286 HG2 ARG 36 HG2 ARG 36 79.568 16.494 8.972 287 HG3 ARG 36 HG1 ARG 36 78.172 15.945 9.900 288 HD2 ARG 36 HD2 ARG 36 79.386 16.152 11.979 289 HD3 ARG 36 HD1 ARG 36 80.893 16.479 11.121 290 HH11 ARG 36 HH21 ARG 36 77.780 16.666 12.189 291 HH12 ARG 36 HH22 ARG 36 76.712 17.969 12.592 292 HH21 ARG 36 HH11 ARG 36 78.733 20.411 11.187 293 HH22 ARG 36 HH12 ARG 36 77.252 20.089 12.025 294 H GLN 37 HN GLN 37 81.041 13.092 6.205 295 HA GLN 37 HA GLN 37 82.799 11.592 5.799 296 HB2 GLN 37 HB2 GLN 37 83.783 13.000 7.821 297 HB3 GLN 37 HB1 GLN 37 83.511 11.504 8.713 298 HG2 GLN 37 HG2 GLN 37 85.678 11.180 7.905 299 HG3 GLN 37 HG1 GLN 37 84.713 10.388 6.659 300 HE21 GLN 37 HE21 GLN 37 84.931 11.175 4.540 301 HE22 GLN 37 HE22 GLN 37 85.740 12.610 4.130 302 H1U RCY 38 H1U RCY 38 79.694 3.698 4.514 303 H1S RCY 38 H1S RCY 38 78.078 6.019 7.475 304 HB1 RCY 38 HB1 RCY 38 80.057 7.143 7.204 305 HB2 RCY 38 HB2 RCY 38 80.114 8.659 6.306 306 HA RCY 38 HA RCY 38 79.516 9.058 9.148 307 HN1 RCY 38 HN1 RCY 38 80.530 11.034 8.394 308 H LYS 39 HN LYS 39 80.489 8.077 10.847 309 HA LYS 39 HA LYS 39 83.275 7.206 10.709 310 HB2 LYS 39 HB2 LYS 39 82.820 6.441 13.074 311 HB3 LYS 39 HB1 LYS 39 82.487 8.148 12.789 312 HG2 LYS 39 HG2 LYS 39 80.134 7.775 12.676 313 HG3 LYS 39 HG1 LYS 39 80.345 6.028 12.558 314 HD2 LYS 39 HD2 LYS 39 81.231 5.952 14.840 315 HD3 LYS 39 HD1 LYS 39 81.106 7.707 14.967 316 HE2 LYS 39 HE2 LYS 39 78.727 7.646 14.889 317 HE3 LYS 39 HE1 LYS 39 78.713 5.968 14.345 318 HZ1 LYS 39 HZ1 LYS 39 80.055 6.505 16.870 319 HZ2 LYS 39 HZ2 LYS 39 79.075 5.194 16.415 320 HZ3 LYS 39 HZ3 LYS 39 78.366 6.669 16.872 321 H SER 40 HN SER 40 82.551 4.878 12.570 322 HA SER 40 HA SER 40 82.180 2.574 12.375 323 HG SER 40 HG SER 40 79.553 1.301 10.577 324 HB2 SER 40 HB2 SER 40 79.973 3.543 11.333 325 HB3 SER 40 HB1 SER 40 80.679 3.025 9.806 326 H LYS 41 HN LYS 41 84.494 2.411 11.883 327 HA LYS 41 HA LYS 41 84.932 1.352 9.145 328 HB2 LYS 41 HB2 LYS 41 87.154 2.621 9.103 329 HB3 LYS 41 HB1 LYS 41 85.703 3.585 8.832 330 HG2 LYS 41 HG2 LYS 41 86.547 3.279 11.663 331 HG3 LYS 41 HG1 LYS 41 87.600 4.261 10.645 332 HD2 LYS 41 HD2 LYS 41 85.864 5.783 10.119 333 HD3 LYS 41 HD1 LYS 41 84.610 4.673 10.672 334 HE2 LYS 41 HE2 LYS 41 85.352 6.680 12.210 335 HE3 LYS 41 HE1 LYS 41 85.037 5.098 12.923 336 HZ1 LYS 41 HZ1 LYS 41 87.732 5.486 11.950 337 HZ2 LYS 41 HZ2 LYS 41 87.187 4.790 13.401 338 HZ3 LYS 41 HZ3 LYS 41 87.305 6.479 13.257 339 HA PRO 42 HA PRO 42 87.081 -1.174 12.333 340 HB2 PRO 42 HB2 PRO 42 85.790 -3.506 11.901 341 HB3 PRO 42 HB1 PRO 42 85.056 -2.202 12.855 342 HG2 PRO 42 HG2 PRO 42 84.471 -3.076 10.092 343 HG3 PRO 42 HG1 PRO 42 83.397 -2.373 11.310 344 HD2 PRO 42 HD2 PRO 42 84.627 -1.001 9.147 345 HD3 PRO 42 HD1 PRO 42 83.743 -0.269 10.504 346 HA PRO 43 HA PRO 43 90.110 -3.018 9.684 347 HB2 PRO 43 HB2 PRO 43 90.381 -5.554 10.884 348 HB3 PRO 43 HB1 PRO 43 91.265 -4.088 11.340 349 HG2 PRO 43 HG2 PRO 43 88.888 -5.326 12.595 350 HG3 PRO 43 HG1 PRO 43 90.222 -4.426 13.334 351 HD2 PRO 43 HD2 PRO 43 87.767 -3.321 12.989 352 HD3 PRO 43 HD1 PRO 43 89.257 -2.354 12.880 353 H LYS 44 HN LYS 44 89.675 -3.752 7.657 354 HA LYS 44 HA LYS 44 87.896 -6.141 7.353 355 HB2 LYS 44 HB2 LYS 44 86.911 -5.099 5.359 356 HB3 LYS 44 HB1 LYS 44 86.670 -4.059 6.765 357 HG2 LYS 44 HG2 LYS 44 88.926 -2.962 6.016 358 HG3 LYS 44 HG1 LYS 44 88.566 -3.704 4.457 359 HD2 LYS 44 HD2 LYS 44 86.271 -2.621 4.600 360 HD3 LYS 44 HD1 LYS 44 86.878 -1.707 5.981 361 HE2 LYS 44 HE2 LYS 44 87.767 -1.584 3.105 362 HE3 LYS 44 HE1 LYS 44 87.287 -0.262 4.169 363 HZ1 LYS 44 HZ1 LYS 44 89.308 -0.988 5.547 364 HZ2 LYS 44 HZ2 LYS 44 89.578 -0.105 4.121 365 HZ3 LYS 44 HZ3 LYS 44 89.810 -1.788 4.138 366 H LYS 45 HN LYS 45 90.383 -4.084 5.831 367 HA LYS 45 HA LYS 45 92.078 -6.224 5.096 368 HB2 LYS 45 HB2 LYS 45 89.769 -5.898 3.362 369 HB3 LYS 45 HB1 LYS 45 91.251 -5.602 2.460 370 HG2 LYS 45 HG2 LYS 45 91.092 -7.984 4.285 371 HG3 LYS 45 HG1 LYS 45 90.340 -8.064 2.692 372 HD2 LYS 45 HD2 LYS 45 93.113 -6.980 2.823 373 HD3 LYS 45 HD1 LYS 45 92.916 -8.714 3.082 374 HE2 LYS 45 HE2 LYS 45 93.261 -7.932 0.652 375 HE3 LYS 45 HE1 LYS 45 91.916 -9.031 0.954 376 HZ1 LYS 45 HZ1 LYS 45 91.749 -6.074 0.736 377 HZ2 LYS 45 HZ2 LYS 45 90.446 -7.101 1.104 378 HZ3 LYS 45 HZ3 LYS 45 91.204 -7.196 -0.414 379 H GLY 46 HN GLY 46 90.984 -3.559 2.984 380 HA2 GLY 46 HA2 GLY 46 93.222 -1.857 3.806 381 HA3 GLY 46 HA1 GLY 46 93.407 -2.548 2.193 382 H VAL 47 HN VAL 47 93.309 0.048 2.010 383 HA VAL 47 HA VAL 47 92.087 1.935 1.309 384 HB VAL 47 HB VAL 47 90.542 -0.344 0.043 385 HG11 VAL 47 HG11 VAL 47 90.341 2.653 -0.311 386 HG12 VAL 47 HG12 VAL 47 89.042 1.511 0.034 387 HG13 VAL 47 HG13 VAL 47 89.808 1.521 -1.554 388 HG21 VAL 47 HG21 VAL 47 92.898 -0.143 -0.646 389 HG22 VAL 47 HG22 VAL 47 92.656 1.567 -1.005 390 HG23 VAL 47 HG23 VAL 47 91.830 0.339 -1.965 391 H GLN 48 HN GLN 48 91.250 2.758 3.237 392 HA GLN 48 HA GLN 48 88.748 1.616 4.319 393 HB2 GLN 48 HB2 GLN 48 90.732 2.439 5.736 394 HB3 GLN 48 HB1 GLN 48 90.185 4.069 5.339 395 HG2 GLN 48 HG2 GLN 48 87.992 3.612 6.304 396 HG3 GLN 48 HG1 GLN 48 88.447 1.935 6.613 397 HE21 GLN 48 HE21 GLN 48 90.276 1.596 8.201 398 HE22 GLN 48 HE22 GLN 48 90.524 2.749 9.422 399 H GLY 49 HN GLY 49 88.040 2.504 1.915 400 HA2 GLY 49 HA2 GLY 49 86.916 4.203 0.681 401 HA3 GLY 49 HA1 GLY 49 85.891 4.133 2.111 402 H1U RCY 50 H1U RCY 50 83.132 2.236 6.144 403 H1S RCY 50 H1S RCY 50 85.395 6.523 6.305 404 HB1 RCY 50 HB1 RCY 50 85.616 8.576 4.353 405 HB2 RCY 50 HB2 RCY 50 87.302 9.068 4.265 406 HA RCY 50 HA RCY 50 85.810 8.697 2.056 407 HN1 RCY 50 HN1 RCY 50 85.392 6.360 1.991 408 H GLY 51 HN GLY 51 87.369 7.960 0.070 409 HA2 GLY 51 HA2 GLY 51 90.177 8.079 0.353 410 HA3 GLY 51 HA1 GLY 51 89.307 8.571 -1.101 411 H ASP 52 HN ASP 52 87.790 10.693 0.092 412 HA ASP 52 HA ASP 52 89.607 12.540 1.414 413 HB2 ASP 52 HB2 ASP 52 90.417 12.521 -0.989 414 HB3 ASP 52 HB1 ASP 52 88.850 13.189 -1.445 415 H ASP 53 HN ASP 53 86.824 11.450 1.567 416 HA ASP 53 HA ASP 53 84.870 12.386 2.518 417 HB2 ASP 53 HB2 ASP 53 86.464 14.507 2.787 418 HB3 ASP 53 HB1 ASP 53 85.471 15.127 1.468 419 H ILE 54 HN ILE 54 85.912 12.453 -0.683 420 HA ILE 54 HA ILE 54 83.117 12.968 -1.643 421 HB ILE 54 HB ILE 54 85.775 13.460 -3.018 422 HG12 ILE 54 HG12 ILE 54 84.367 15.721 -3.319 423 HG13 ILE 54 HG11 ILE 54 83.586 15.127 -1.854 424 HG21 ILE 54 HG21 ILE 54 84.523 12.618 -4.794 425 HG22 ILE 54 HG22 ILE 54 84.088 14.326 -4.851 426 HG23 ILE 54 HG23 ILE 54 82.993 13.163 -4.105 427 HD11 ILE 54 HD11 ILE 54 85.832 14.872 -0.801 428 HD12 ILE 54 HD12 ILE 54 85.478 16.543 -1.240 429 HD13 ILE 54 HD13 ILE 54 86.559 15.577 -2.245 430 HA PRO 55 HA PRO 55 84.111 8.584 -2.616 431 HB2 PRO 55 HB2 PRO 55 81.843 7.476 -1.640 432 HB3 PRO 55 HB1 PRO 55 83.197 7.930 -0.586 433 HG2 PRO 55 HG2 PRO 55 80.609 9.305 -1.032 434 HG3 PRO 55 HG1 PRO 55 81.585 9.177 0.439 435 HD2 PRO 55 HD2 PRO 55 81.511 11.397 -1.282 436 HD3 PRO 55 HD1 PRO 55 82.750 11.084 -0.047 437 H GLY 56 HN GLY 56 83.652 9.828 -4.814 438 HA2 GLY 56 HA2 GLY 56 81.436 8.394 -6.116 439 HA3 GLY 56 HA1 GLY 56 81.314 10.154 -6.151 440 H MET 57 HN MET 57 84.540 9.395 -6.087 441 HA MET 57 HA MET 57 85.105 10.362 -8.683 442 HB2 MET 57 HB2 MET 57 86.800 10.235 -6.900 443 HB3 MET 57 HB1 MET 57 86.754 8.473 -6.974 444 HG2 MET 57 HG2 MET 57 87.761 8.408 -9.095 445 HG3 MET 57 HG1 MET 57 87.332 10.081 -9.453 446 HE1 MET 57 HE1 MET 57 89.018 8.361 -6.265 447 HE2 MET 57 HE2 MET 57 90.695 8.486 -6.791 448 HE3 MET 57 HE3 MET 57 89.537 7.584 -7.765 449 H GLU 58 HN GLU 58 83.562 7.520 -7.906 450 HA GLU 58 HA GLU 58 83.050 5.597 -9.146 451 HB2 GLU 58 HB2 GLU 58 82.651 7.490 -10.858 452 HB3 GLU 58 HB1 GLU 58 84.210 7.030 -11.540 453 HG2 GLU 58 HG2 GLU 58 83.429 4.757 -11.919 454 HG3 GLU 58 HG1 GLU 58 81.901 5.113 -11.112 455 H GLY 59 HN GLY 59 84.945 4.692 -7.884 456 HA2 GLY 59 HA2 GLY 59 86.821 3.441 -9.765 457 HA3 GLY 59 HA1 GLY 59 87.578 4.481 -8.555 458 H1U RCY 60 H1U RCY 60 77.733 2.963 -4.073 459 H1S RCY 60 H1S RCY 60 80.638 0.872 -6.203 460 HB1 RCY 60 HB1 RCY 60 84.155 2.616 -4.757 461 HB2 RCY 60 HB2 RCY 60 83.885 0.875 -4.671 462 HA RCY 60 HA RCY 60 86.182 1.473 -5.477 463 HN1 RCY 60 HN1 RCY 60 84.724 3.124 -7.380 464 H GLY 61 HN GLY 61 87.142 -0.298 -6.467 465 HA2 GLY 61 HA2 GLY 61 85.670 -1.886 -8.445 466 HA3 GLY 61 HA1 GLY 61 87.286 -2.238 -7.828 467 H THR 62 HN THR 62 87.467 -3.314 -5.763 468 HA THR 62 HA THR 62 84.976 -4.790 -4.993 469 HB THR 62 HB THR 62 86.524 -6.393 -5.807 470 HG1 THR 62 HG1 THR 62 86.796 -7.580 -4.030 471 HG21 THR 62 HG21 THR 62 88.617 -4.885 -4.217 472 HG22 THR 62 HG22 THR 62 88.484 -4.960 -5.974 473 HG23 THR 62 HG23 THR 62 88.908 -6.407 -5.059 474 H ASP 63 HN ASP 63 84.978 -2.477 -3.761 475 HA ASP 63 HA ASP 63 86.644 -2.243 -1.424 476 HB2 ASP 63 HB2 ASP 63 84.804 -0.654 -0.658 477 HB3 ASP 63 HB1 ASP 63 85.539 -0.264 -2.213 478 H ILE 64 HN ILE 64 86.178 -4.751 -1.079 479 HA ILE 64 HA ILE 64 85.132 -6.429 0.190 480 HB ILE 64 HB ILE 64 84.455 -4.169 2.071 481 HG12 ILE 64 HG12 ILE 64 86.849 -4.102 1.120 482 HG13 ILE 64 HG11 ILE 64 86.693 -4.163 2.876 483 HG21 ILE 64 HG21 ILE 64 83.629 -6.397 2.679 484 HG22 ILE 64 HG22 ILE 64 84.936 -5.924 3.764 485 HG23 ILE 64 HG23 ILE 64 85.244 -7.073 2.462 486 HD11 ILE 64 HD11 ILE 64 87.473 -6.324 3.010 487 HD12 ILE 64 HD12 ILE 64 88.310 -5.834 1.537 488 HD13 ILE 64 HD13 ILE 64 86.818 -6.769 1.434 489 H THR 65 HN THR 65 83.413 -6.861 -1.235 490 HA THR 65 HA THR 65 80.874 -5.403 -0.790 491 HB THR 65 HB THR 65 81.028 -7.737 -2.643 492 HG1 THR 65 HG1 THR 65 81.934 -5.915 -4.117 493 HG21 THR 65 HG21 THR 65 79.448 -6.539 -3.842 494 HG22 THR 65 HG22 THR 65 80.100 -4.978 -3.343 495 HG23 THR 65 HG23 THR 65 79.136 -5.933 -2.216 496 H VAL 66 HN VAL 66 82.010 -8.791 -0.874 497 HA VAL 66 HA VAL 66 79.811 -10.145 0.085 498 HB VAL 66 HB VAL 66 81.706 -11.432 1.510 499 HG11 VAL 66 HG11 VAL 66 82.251 -12.652 -0.598 500 HG12 VAL 66 HG12 VAL 66 81.462 -11.367 -1.513 501 HG13 VAL 66 HG13 VAL 66 80.520 -12.369 -0.409 502 HG21 VAL 66 HG21 VAL 66 83.279 -9.471 1.041 503 HG22 VAL 66 HG22 VAL 66 83.291 -10.007 -0.640 504 HG23 VAL 66 HG23 VAL 66 83.902 -11.068 0.629 505 H ILE 67 HN ILE 67 82.314 -8.802 2.281 506 HA ILE 67 HA ILE 67 80.133 -8.239 4.242 507 HB ILE 67 HB ILE 67 82.756 -9.652 4.806 508 HG12 ILE 67 HG12 ILE 67 80.867 -11.048 3.964 509 HG13 ILE 67 HG11 ILE 67 81.300 -11.442 5.628 510 HG21 ILE 67 HG21 ILE 67 81.647 -9.666 7.189 511 HG22 ILE 67 HG22 ILE 67 80.788 -8.247 6.591 512 HG23 ILE 67 HG23 ILE 67 82.550 -8.246 6.661 513 HD11 ILE 67 HD11 ILE 67 79.461 -9.510 6.083 514 HD12 ILE 67 HD12 ILE 67 79.045 -11.219 5.960 515 HD13 ILE 67 HD13 ILE 67 78.841 -10.159 4.565 516 H1U RCY 68 H1U RCY 68 77.071 -1.313 -0.729 517 H1S RCY 68 H1S RCY 68 79.581 -0.545 2.710 518 HB1 RCY 68 HB1 RCY 68 80.906 -4.289 2.292 519 HB2 RCY 68 HB2 RCY 68 82.268 -3.213 2.596 520 HA RCY 68 HA RCY 68 82.958 -4.719 4.142 521 HN1 RCY 68 HN1 RCY 68 80.345 -6.033 3.651 522 HA PRO 69 HA PRO 69 82.271 -2.803 8.052 523 HB2 PRO 69 HB2 PRO 69 81.585 -0.234 6.657 524 HB3 PRO 69 HB1 PRO 69 82.676 -0.510 8.029 525 HG2 PRO 69 HG2 PRO 69 83.616 -0.153 5.567 526 HG3 PRO 69 HG1 PRO 69 84.375 -1.299 6.685 527 HD2 PRO 69 HD2 PRO 69 82.729 -1.850 4.270 528 HD3 PRO 69 HD1 PRO 69 83.969 -2.860 5.045 529 H TRP 70 HN TRP 70 79.806 -1.962 5.632 530 HA TRP 70 HA TRP 70 77.766 -1.124 7.415 531 HD1 TRP 70 HD1 TRP 70 75.016 -0.819 6.922 532 HE1 TRP 70 HE1 TRP 70 72.871 -2.206 6.583 533 HE3 TRP 70 HE3 TRP 70 76.740 -4.318 3.626 534 HZ2 TRP 70 HZ2 TRP 70 71.999 -4.501 5.107 535 HZ3 TRP 70 HZ3 TRP 70 75.236 -6.088 2.772 536 HH2 TRP 70 HH2 TRP 70 72.871 -6.186 3.505 537 HB2 TRP 70 HB2 TRP 70 77.264 -0.711 5.172 538 HB3 TRP 70 HB1 TRP 70 77.783 -2.314 4.656 539 H GLU 71 HN GLU 71 78.585 -4.398 6.243 540 HA GLU 71 HA GLU 71 76.420 -5.762 7.479 541 HB2 GLU 71 HB2 GLU 71 79.192 -6.539 6.617 542 HB3 GLU 71 HB1 GLU 71 78.229 -7.686 7.549 543 HG2 GLU 71 HG2 GLU 71 76.859 -6.349 5.271 544 HG3 GLU 71 HG1 GLU 71 78.096 -7.538 4.859 545 H ALA 72 HN ALA 72 78.947 -4.029 8.888 546 HA ALA 72 HA ALA 72 79.312 -5.629 11.280 547 HB1 ALA 72 HB1 ALA 72 80.916 -3.854 10.402 548 HB2 ALA 72 HB2 ALA 72 80.555 -3.757 12.126 549 HB3 ALA 72 HB3 ALA 72 79.774 -2.649 10.998 550 H1U RCY 73 H1U RCY 73 78.603 -1.914 6.578 551 H1S RCY 73 H1S RCY 73 75.189 -0.086 9.142 552 HB1 RCY 73 HB1 RCY 73 73.997 -1.772 11.397 553 HB2 RCY 73 HB2 RCY 73 75.081 -2.111 10.048 554 HA RCY 73 HA RCY 73 76.067 -2.425 12.873 555 HN1 RCY 73 HN1 RCY 73 77.142 -3.035 10.291 556 H ASN 74 HN ASN 74 74.903 -4.644 10.319 557 HA ASN 74 HA ASN 74 73.548 -6.547 10.477 558 HB2 ASN 74 HB2 ASN 74 75.252 -6.948 12.422 559 HB3 ASN 74 HB1 ASN 74 73.901 -6.518 13.469 560 HD21 ASN 74 HD21 ASN 74 74.478 -8.623 10.584 561 HD22 ASN 74 HD22 ASN 74 73.526 -9.907 11.156 562 H HIS 75 HN HIS 75 71.793 -5.000 9.928 563 HA HIS 75 HA HIS 75 69.642 -5.173 11.899 564 HD1 HIS 75 HD1 HIS 75 68.096 -4.247 13.193 565 HD2 HIS 75 HD2 HIS 75 71.458 -2.025 14.270 566 HE1 HIS 75 HE1 HIS 75 68.016 -4.004 15.713 567 HE2 HIS 75 HE2 HIS 75 70.058 -2.654 16.382 568 HB2 HIS 75 HB2 HIS 75 71.214 -2.728 11.603 569 HB3 HIS 75 HB1 HIS 75 69.515 -2.441 11.241 570 H1U RCY 76 H1U RCY 76 72.953 -5.226 2.833 571 H1S RCY 76 H1S RCY 76 70.809 -2.805 5.230 572 HB1 RCY 76 HB1 RCY 76 68.667 -5.098 5.858 573 HB2 RCY 76 HB2 RCY 76 70.151 -5.685 6.607 574 HA RCY 76 HA RCY 76 67.546 -5.084 8.041 575 HN1 RCY 76 HN1 RCY 76 69.776 -6.381 9.451 576 H GLU 77 HN GLU 77 66.209 -6.623 7.214 577 HA GLU 77 HA GLU 77 66.758 -9.416 7.727 578 HB2 GLU 77 HB2 GLU 77 64.571 -9.799 6.659 579 HB3 GLU 77 HB1 GLU 77 64.474 -8.464 7.808 580 HG2 GLU 77 HG2 GLU 77 64.865 -6.885 5.880 581 HG3 GLU 77 HG1 GLU 77 64.706 -8.267 4.795 582 H LEU 78 HN LEU 78 65.480 -10.388 5.242 583 HA LEU 78 HA LEU 78 66.154 -11.215 3.157 584 HG LEU 78 HG LEU 78 67.351 -10.772 1.110 585 HB2 LEU 78 HB2 LEU 78 66.221 -8.595 2.836 586 HB3 LEU 78 HB1 LEU 78 67.967 -8.839 2.815 587 HD11 LEU 78 HD11 LEU 78 65.129 -8.809 0.535 588 HD12 LEU 78 HD12 LEU 78 64.859 -10.240 1.529 589 HD13 LEU 78 HD13 LEU 78 65.374 -10.416 -0.148 590 HD21 LEU 78 HD21 LEU 78 67.491 -9.026 -0.740 591 HD22 LEU 78 HD22 LEU 78 68.769 -8.940 0.472 592 HD23 LEU 78 HD23 LEU 78 67.424 -7.800 0.526 593 H HIS 79 HN HIS 79 68.156 -11.998 1.969 594 HA HIS 79 HA HIS 79 70.100 -12.961 3.945 595 HD1 HIS 79 HD1 HIS 79 72.817 -13.601 2.199 596 HD2 HIS 79 HD2 HIS 79 70.065 -16.638 2.974 597 HE1 HIS 79 HE1 HIS 79 74.155 -15.581 3.040 598 HE2 HIS 79 HE2 HIS 79 72.491 -17.436 3.516 599 HB2 HIS 79 HB2 HIS 79 69.059 -14.283 1.954 600 HB3 HIS 79 HB1 HIS 79 70.267 -13.452 0.975 601 H GLU 80 HN GLU 80 71.992 -12.980 1.423 602 HA GLU 80 HA GLU 80 72.899 -10.158 1.519 603 HB2 GLU 80 HB2 GLU 80 74.002 -11.783 3.319 604 HB3 GLU 80 HB1 GLU 80 74.967 -12.295 1.936 605 HG2 GLU 80 HG2 GLU 80 76.189 -10.507 2.929 606 HG3 GLU 80 HG1 GLU 80 75.408 -9.807 1.511 607 H LEU 81 HN LEU 81 74.420 -13.207 0.451 608 HA LEU 81 HA LEU 81 75.386 -12.216 -1.987 609 HG LEU 81 HG LEU 81 74.548 -16.338 -1.293 610 HB2 LEU 81 HB2 LEU 81 75.642 -14.504 -2.707 611 HB3 LEU 81 HB1 LEU 81 75.980 -14.437 -0.984 612 HD11 LEU 81 HD11 LEU 81 72.656 -14.113 -0.509 613 HD12 LEU 81 HD12 LEU 81 73.960 -14.657 0.546 614 HD13 LEU 81 HD13 LEU 81 72.678 -15.775 0.080 615 HD21 LEU 81 HD21 LEU 81 72.278 -14.892 -2.498 616 HD22 LEU 81 HD22 LEU 81 72.937 -16.480 -2.894 617 HD23 LEU 81 HD23 LEU 81 73.686 -15.025 -3.551 618 H ALA 82 HN ALA 82 72.173 -12.572 -1.080 619 HA ALA 82 HA ALA 82 71.000 -13.316 -3.602 620 HB1 ALA 82 HB1 ALA 82 68.913 -12.531 -2.648 621 HB2 ALA 82 HB2 ALA 82 69.773 -11.591 -1.429 622 HB3 ALA 82 HB3 ALA 82 69.817 -13.352 -1.376 623 H GLN 83 HN GLN 83 69.182 -10.835 -3.477 624 HA GLN 83 HA GLN 83 69.035 -8.807 -4.642 625 HB2 GLN 83 HB2 GLN 83 71.981 -8.386 -4.190 626 HB3 GLN 83 HB1 GLN 83 70.674 -7.203 -4.169 627 HG2 GLN 83 HG2 GLN 83 69.789 -8.539 -2.123 628 HG3 GLN 83 HG1 GLN 83 71.415 -9.221 -2.056 629 HE21 GLN 83 HE21 GLN 83 69.727 -6.039 -2.150 630 HE22 GLN 83 HE22 GLN 83 70.908 -5.219 -1.249 631 H TYR 84 HN TYR 84 70.833 -11.380 -5.662 632 HA TYR 84 HA TYR 84 71.504 -12.071 -7.797 633 HD1 TYR 84 HD1 TYR 84 69.167 -12.937 -8.485 634 HD2 TYR 84 HD2 TYR 84 68.489 -8.731 -7.935 635 HE1 TYR 84 HE1 TYR 84 66.868 -13.412 -7.684 636 HE2 TYR 84 HE2 TYR 84 66.191 -9.206 -7.134 637 HH TYR 84 HH TYR 84 64.488 -11.350 -7.605 638 HB2 TYR 84 HB2 TYR 84 70.492 -9.451 -8.898 639 HB3 TYR 84 HB1 TYR 84 70.543 -11.029 -9.683 640 H GLY 85 HN GLY 85 72.858 -9.695 -6.071 641 HA2 GLY 85 HA2 GLY 85 75.293 -9.721 -7.640 642 HA3 GLY 85 HA1 GLY 85 74.491 -8.154 -7.721 643 H ILE 86 HN ILE 86 74.006 -9.910 -4.807 644 HA ILE 86 HA ILE 86 74.543 -9.308 -2.609 645 HB ILE 86 HB ILE 86 76.503 -10.705 -3.487 646 HG12 ILE 86 HG12 ILE 86 76.061 -9.478 -1.061 647 HG13 ILE 86 HG11 ILE 86 77.324 -10.672 -1.365 648 HG21 ILE 86 HG21 ILE 86 77.627 -7.910 -3.742 649 HG22 ILE 86 HG22 ILE 86 77.592 -9.183 -4.962 650 HG23 ILE 86 HG23 ILE 86 78.664 -9.326 -3.570 651 HD11 ILE 86 HD11 ILE 86 78.117 -8.505 -0.295 652 HD12 ILE 86 HD12 ILE 86 77.726 -7.707 -1.818 653 HD13 ILE 86 HD13 ILE 86 78.959 -8.966 -1.774 654 H1U RCY 87 H1U RCY 87 78.591 -1.881 5.659 655 H1S RCY 87 H1S RCY 87 75.668 -3.107 1.965 656 HB1 RCY 87 HB1 RCY 87 76.040 -6.146 0.330 657 HB2 RCY 87 HB2 RCY 87 74.706 -5.011 0.173 658 HA RCY 87 HA RCY 87 74.829 -4.982 -2.123 659 HN1 RCY 87 HN1 RCY 87 75.428 -7.597 -1.171 Start of MODEL 93 1 HA MET 1 HA MET 1 95.764 1.167 13.399 2 HB2 MET 1 HB2 MET 1 95.136 -1.147 12.442 3 HB3 MET 1 HB1 MET 1 93.461 -0.614 12.589 4 HG2 MET 1 HG2 MET 1 94.109 -0.030 10.372 5 HG3 MET 1 HG1 MET 1 94.171 1.477 11.286 6 HE1 MET 1 HE1 MET 1 95.700 -0.319 8.674 7 HE2 MET 1 HE2 MET 1 97.150 0.663 8.479 8 HE3 MET 1 HE3 MET 1 95.576 1.443 8.615 9 H ASN 2 HN ASN 2 94.993 3.083 14.263 10 HA ASN 2 HA ASN 2 93.440 4.766 14.762 11 HB2 ASN 2 HB2 ASN 2 92.632 3.907 12.433 12 HB3 ASN 2 HB1 ASN 2 91.336 3.135 13.347 13 HD21 ASN 2 HD21 ASN 2 92.931 6.366 13.074 14 HD22 ASN 2 HD22 ASN 2 91.499 7.251 13.296 15 H LEU 3 HN LEU 3 91.810 5.211 16.330 16 HA LEU 3 HA LEU 3 91.536 3.359 18.444 17 HG LEU 3 HG LEU 3 92.370 5.752 18.409 18 HB2 LEU 3 HB2 LEU 3 89.479 5.490 17.839 19 HB3 LEU 3 HB1 LEU 3 89.979 4.874 19.413 20 HD11 LEU 3 HD11 LEU 3 90.937 6.695 16.462 21 HD12 LEU 3 HD12 LEU 3 92.110 7.773 17.218 22 HD13 LEU 3 HD13 LEU 3 90.400 7.900 17.633 23 HD21 LEU 3 HD21 LEU 3 90.313 7.376 19.943 24 HD22 LEU 3 HD22 LEU 3 92.047 7.696 19.907 25 HD23 LEU 3 HD23 LEU 3 91.439 6.216 20.649 26 H GLU 4 HN GLU 4 89.728 2.066 19.116 27 HA GLU 4 HA GLU 4 88.500 0.509 17.094 28 HB2 GLU 4 HB2 GLU 4 88.178 0.864 20.026 29 HB3 GLU 4 HB1 GLU 4 86.787 0.175 19.194 30 HG2 GLU 4 HG2 GLU 4 88.077 -1.642 18.334 31 HG3 GLU 4 HG1 GLU 4 89.597 -0.868 18.785 32 HA PRO 5 HA PRO 5 85.004 2.486 15.303 33 HB2 PRO 5 HB2 PRO 5 83.335 0.696 17.054 34 HB3 PRO 5 HB1 PRO 5 83.144 1.068 15.330 35 HG2 PRO 5 HG2 PRO 5 84.283 -1.204 16.198 36 HG3 PRO 5 HG1 PRO 5 84.765 -0.408 14.693 37 HD2 PRO 5 HD2 PRO 5 86.284 -0.688 17.190 38 HD3 PRO 5 HD1 PRO 5 86.855 -0.194 15.582 39 HA PRO 6 HA PRO 6 83.784 5.651 18.152 40 HB2 PRO 6 HB2 PRO 6 81.345 6.407 17.084 41 HB3 PRO 6 HB1 PRO 6 82.919 6.899 16.432 42 HG2 PRO 6 HG2 PRO 6 81.079 4.756 15.507 43 HG3 PRO 6 HG1 PRO 6 82.082 5.872 14.564 44 HD2 PRO 6 HD2 PRO 6 82.791 3.273 14.977 45 HD3 PRO 6 HD1 PRO 6 83.993 4.572 14.803 46 H LYS 7 HN LYS 7 82.292 6.127 19.890 47 HA LYS 7 HA LYS 7 80.798 3.739 20.803 48 HB2 LYS 7 HB2 LYS 7 81.540 6.343 22.168 49 HB3 LYS 7 HB1 LYS 7 80.606 5.062 22.940 50 HG2 LYS 7 HG2 LYS 7 82.412 3.607 23.030 51 HG3 LYS 7 HG1 LYS 7 83.210 4.348 21.641 52 HD2 LYS 7 HD2 LYS 7 84.396 4.877 23.749 53 HD3 LYS 7 HD1 LYS 7 83.748 6.333 22.991 54 HE2 LYS 7 HE2 LYS 7 83.323 6.223 25.463 55 HE3 LYS 7 HE1 LYS 7 81.850 6.344 24.501 56 HZ1 LYS 7 HZ1 LYS 7 82.066 4.563 26.371 57 HZ2 LYS 7 HZ2 LYS 7 82.891 3.685 25.173 58 HZ3 LYS 7 HZ3 LYS 7 81.288 4.183 24.912 59 H ALA 8 HN ALA 8 78.979 3.917 19.347 60 HA ALA 8 HA ALA 8 76.717 5.259 20.358 61 HB1 ALA 8 HB1 ALA 8 76.577 6.952 18.320 62 HB2 ALA 8 HB2 ALA 8 78.336 6.841 18.388 63 HB3 ALA 8 HB3 ALA 8 77.433 7.401 19.795 64 H GLU 9 HN GLU 9 76.073 3.067 19.726 65 HA GLU 9 HA GLU 9 75.142 2.987 16.903 66 HB2 GLU 9 HB2 GLU 9 76.870 0.915 18.264 67 HB3 GLU 9 HB1 GLU 9 75.820 0.493 16.912 68 HG2 GLU 9 HG2 GLU 9 77.845 2.742 16.797 69 HG3 GLU 9 HG1 GLU 9 78.194 1.098 16.260 70 H1U RCY 10 H1U RCY 10 77.516 0.929 17.987 71 H1S RCY 10 H1S RCY 10 74.907 3.408 20.223 72 HB1 RCY 10 HB1 RCY 10 71.388 1.247 21.276 73 HB2 RCY 10 HB2 RCY 10 71.628 2.051 19.725 74 HA RCY 10 HA RCY 10 73.403 -0.012 21.044 75 HN1 RCY 10 HN1 RCY 10 75.168 1.065 19.933 76 H ARG 11 HN ARG 11 73.198 -2.000 20.028 77 HA ARG 11 HA ARG 11 72.025 -2.264 17.376 78 HE ARG 11 HE ARG 11 71.768 -6.513 15.405 79 HB2 ARG 11 HB2 ARG 11 73.713 -3.862 18.346 80 HB3 ARG 11 HB1 ARG 11 72.468 -4.420 19.462 81 HG2 ARG 11 HG2 ARG 11 71.776 -5.857 17.868 82 HG3 ARG 11 HG1 ARG 11 71.265 -4.465 16.912 83 HD2 ARG 11 HD2 ARG 11 73.564 -4.306 15.969 84 HD3 ARG 11 HD1 ARG 11 74.009 -5.757 16.868 85 HH11 ARG 11 HH21 ARG 11 74.848 -5.102 14.770 86 HH12 ARG 11 HH22 ARG 11 74.990 -5.797 13.190 87 HH21 ARG 11 HH11 ARG 11 71.935 -7.430 13.345 88 HH22 ARG 11 HH12 ARG 11 73.340 -7.115 12.384 89 H SER 12 HN SER 12 70.304 -0.853 19.178 90 HA SER 12 HA SER 12 68.224 -2.724 20.064 91 HG SER 12 HG SER 12 68.416 0.595 18.958 92 HB2 SER 12 HB2 SER 12 67.188 -0.867 21.037 93 HB3 SER 12 HB1 SER 12 68.883 -0.389 21.076 94 H ALA 13 HN ALA 13 65.972 -1.056 19.272 95 HA ALA 13 HA ALA 13 65.494 -2.201 16.649 96 HB1 ALA 13 HB1 ALA 13 63.870 -0.093 18.102 97 HB2 ALA 13 HB2 ALA 13 63.708 -1.827 18.377 98 HB3 ALA 13 HB3 ALA 13 63.314 -1.144 16.799 99 H THR 14 HN THR 14 64.296 -0.375 15.095 100 HA THR 14 HA THR 14 65.869 2.099 14.944 101 HB THR 14 HB THR 14 66.048 0.084 12.683 102 HG1 THR 14 HG1 THR 14 68.400 0.539 13.668 103 HG21 THR 14 HG21 THR 14 67.187 2.831 13.195 104 HG22 THR 14 HG22 THR 14 66.275 2.266 11.795 105 HG23 THR 14 HG23 THR 14 67.934 1.722 12.044 106 H ARG 15 HN ARG 15 63.357 2.380 15.311 107 HA ARG 15 HA ARG 15 61.720 2.081 12.911 108 HE ARG 15 HE ARG 15 58.367 -0.663 14.083 109 HB2 ARG 15 HB2 ARG 15 61.269 2.601 15.689 110 HB3 ARG 15 HB1 ARG 15 60.559 3.934 14.783 111 HG2 ARG 15 HG2 ARG 15 58.842 2.292 14.899 112 HG3 ARG 15 HG1 ARG 15 59.510 2.136 13.274 113 HD2 ARG 15 HD2 ARG 15 61.111 0.384 14.387 114 HD3 ARG 15 HD1 ARG 15 59.879 0.330 15.648 115 HH11 ARG 15 HH21 ARG 15 61.353 0.359 12.695 116 HH12 ARG 15 HH22 ARG 15 61.108 -0.495 11.208 117 HH21 ARG 15 HH11 ARG 15 58.030 -1.784 12.149 118 HH22 ARG 15 HH12 ARG 15 59.226 -1.708 10.899 119 H VAL 16 HN VAL 16 61.359 3.628 11.358 120 HA VAL 16 HA VAL 16 63.129 5.769 10.950 121 HB VAL 16 HB VAL 16 61.578 4.826 9.228 122 HG11 VAL 16 HG11 VAL 16 59.266 5.422 9.199 123 HG12 VAL 16 HG12 VAL 16 59.480 6.599 10.495 124 HG13 VAL 16 HG13 VAL 16 59.593 4.874 10.844 125 HG21 VAL 16 HG21 VAL 16 62.713 7.053 8.967 126 HG22 VAL 16 HG22 VAL 16 61.265 7.819 9.621 127 HG23 VAL 16 HG23 VAL 16 61.185 6.942 8.093 128 H MET 17 HN MET 17 62.862 8.073 11.229 129 HA MET 17 HA MET 17 60.730 8.944 13.109 130 HB2 MET 17 HB2 MET 17 63.704 9.065 13.604 131 HB3 MET 17 HB1 MET 17 62.621 10.246 14.340 132 HG2 MET 17 HG2 MET 17 62.207 7.256 14.570 133 HG3 MET 17 HG1 MET 17 63.092 8.202 15.766 134 HE1 MET 17 HE1 MET 17 61.708 7.428 17.561 135 HE2 MET 17 HE2 MET 17 60.355 8.402 18.129 136 HE3 MET 17 HE3 MET 17 61.917 9.162 17.834 137 H GLY 18 HN GLY 18 62.647 9.461 10.388 138 HA2 GLY 18 HA2 GLY 18 62.975 11.323 8.991 139 HA3 GLY 18 HA1 GLY 18 61.362 11.792 9.529 140 H GLY 19 HN GLY 19 61.602 13.965 9.948 141 HA2 GLY 19 HA2 GLY 19 62.137 15.762 11.411 142 HA3 GLY 19 HA1 GLY 19 63.280 14.708 12.243 143 HA PRO 20 HA PRO 20 65.534 18.038 9.726 144 HB2 PRO 20 HB2 PRO 20 67.341 17.396 12.035 145 HB3 PRO 20 HB1 PRO 20 66.997 18.963 11.276 146 HG2 PRO 20 HG2 PRO 20 65.893 18.270 13.596 147 HG3 PRO 20 HG1 PRO 20 65.003 19.215 12.391 148 HD2 PRO 20 HD2 PRO 20 64.647 16.368 13.176 149 HD3 PRO 20 HD1 PRO 20 63.467 17.507 12.492 150 H1U RCY 21 H1U RCY 21 62.494 9.197 6.889 151 H1S RCY 21 H1S RCY 21 67.043 10.527 5.857 152 HB1 RCY 21 HB1 RCY 21 65.776 13.716 7.650 153 HB2 RCY 21 HB2 RCY 21 67.036 13.149 8.745 154 HA RCY 21 HA RCY 21 68.434 14.989 8.287 155 HN1 RCY 21 HN1 RCY 21 65.774 16.322 8.089 156 H THR 22 HN THR 22 69.365 16.413 6.791 157 HA THR 22 HA THR 22 67.993 16.884 4.220 158 HB THR 22 HB THR 22 70.085 18.279 3.769 159 HG1 THR 22 HG1 THR 22 71.592 18.311 5.237 160 HG21 THR 22 HG21 THR 22 69.418 20.000 5.544 161 HG22 THR 22 HG22 THR 22 68.265 18.798 6.125 162 HG23 THR 22 HG23 THR 22 68.128 19.431 4.484 163 HA PRO 23 HA PRO 23 69.761 13.566 1.874 164 HB2 PRO 23 HB2 PRO 23 70.723 15.767 0.075 165 HB3 PRO 23 HB1 PRO 23 69.885 14.259 -0.342 166 HG2 PRO 23 HG2 PRO 23 68.617 16.621 -0.239 167 HG3 PRO 23 HG1 PRO 23 67.825 15.098 0.190 168 HD2 PRO 23 HD2 PRO 23 68.630 17.329 1.947 169 HD3 PRO 23 HD1 PRO 23 67.468 16.021 2.252 170 H ARG 24 HN ARG 24 71.708 16.389 2.689 171 HA ARG 24 HA ARG 24 73.980 16.581 3.223 172 HE ARG 24 HE ARG 24 75.087 17.702 4.761 173 HB2 ARG 24 HB2 ARG 24 73.104 14.076 4.229 174 HB3 ARG 24 HB1 ARG 24 74.665 13.775 3.469 175 HG2 ARG 24 HG2 ARG 24 74.105 15.956 5.504 176 HG3 ARG 24 HG1 ARG 24 74.923 14.431 5.846 177 HD2 ARG 24 HD2 ARG 24 76.817 15.604 5.380 178 HD3 ARG 24 HD1 ARG 24 76.360 15.329 3.699 179 HH11 ARG 24 HH21 ARG 24 78.014 16.355 3.534 180 HH12 ARG 24 HH22 ARG 24 78.618 17.867 2.942 181 HH21 ARG 24 HH11 ARG 24 75.858 19.684 3.995 182 HH22 ARG 24 HH12 ARG 24 77.397 19.752 3.202 183 H LYS 25 HN LYS 25 74.839 17.257 1.256 184 HA LYS 25 HA LYS 25 75.267 15.370 -0.933 185 HB2 LYS 25 HB2 LYS 25 76.714 17.508 -1.702 186 HB3 LYS 25 HB1 LYS 25 74.959 17.459 -1.853 187 HG2 LYS 25 HG2 LYS 25 76.147 18.405 0.731 188 HG3 LYS 25 HG1 LYS 25 76.142 19.502 -0.650 189 HD2 LYS 25 HD2 LYS 25 73.620 18.033 0.031 190 HD3 LYS 25 HD1 LYS 25 74.077 19.432 1.003 191 HE2 LYS 25 HE2 LYS 25 74.251 20.797 -1.053 192 HE3 LYS 25 HE1 LYS 25 73.763 19.401 -2.013 193 HZ1 LYS 25 HZ1 LYS 25 72.175 21.093 -0.251 194 HZ2 LYS 25 HZ2 LYS 25 71.801 19.436 -0.255 195 HZ3 LYS 25 HZ3 LYS 25 71.741 20.327 -1.701 196 H GLY 26 HN GLY 26 77.483 17.305 1.116 197 HA2 GLY 26 HA2 GLY 26 79.854 17.024 1.305 198 HA3 GLY 26 HA1 GLY 26 79.271 15.546 2.067 199 HA PRO 27 HA PRO 27 81.495 12.841 -0.610 200 HB2 PRO 27 HB2 PRO 27 78.753 11.840 -1.332 201 HB3 PRO 27 HB1 PRO 27 80.209 10.916 -0.915 202 HG2 PRO 27 HG2 PRO 27 78.218 11.372 0.840 203 HG3 PRO 27 HG1 PRO 27 79.910 11.196 1.325 204 HD2 PRO 27 HD2 PRO 27 78.224 13.592 1.402 205 HD3 PRO 27 HD1 PRO 27 79.814 13.320 2.147 206 HA PRO 28 HA PRO 28 81.805 14.417 -4.732 207 HB2 PRO 28 HB2 PRO 28 80.990 11.661 -5.616 208 HB3 PRO 28 HB1 PRO 28 82.300 12.694 -6.224 209 HG2 PRO 28 HG2 PRO 28 82.753 10.680 -4.519 210 HG3 PRO 28 HG1 PRO 28 83.694 12.178 -4.479 211 HD2 PRO 28 HD2 PRO 28 81.716 11.183 -2.531 212 HD3 PRO 28 HD1 PRO 28 82.962 12.433 -2.328 213 H LYS 29 HN LYS 29 80.477 14.850 -6.698 214 HA LYS 29 HA LYS 29 77.717 15.335 -6.020 215 HB2 LYS 29 HB2 LYS 29 79.054 16.764 -7.572 216 HB3 LYS 29 HB1 LYS 29 79.046 15.449 -8.744 217 HG2 LYS 29 HG2 LYS 29 77.120 16.362 -9.519 218 HG3 LYS 29 HG1 LYS 29 76.367 15.687 -8.073 219 HD2 LYS 29 HD2 LYS 29 77.662 18.425 -8.173 220 HD3 LYS 29 HD1 LYS 29 75.934 18.148 -8.393 221 HE2 LYS 29 HE2 LYS 29 76.029 16.893 -6.144 222 HE3 LYS 29 HE1 LYS 29 77.606 17.653 -5.928 223 HZ1 LYS 29 HZ1 LYS 29 75.149 18.763 -5.382 224 HZ2 LYS 29 HZ2 LYS 29 75.676 19.543 -6.797 225 HZ3 LYS 29 HZ3 LYS 29 76.645 19.562 -5.401 226 H1U RCY 30 H1U RCY 30 80.279 11.345 -10.699 227 H1S RCY 30 H1S RCY 30 76.291 9.503 -9.403 228 HB1 RCY 30 HB1 RCY 30 75.158 13.303 -9.531 229 HB2 RCY 30 HB2 RCY 30 75.195 12.407 -8.015 230 HA RCY 30 HA RCY 30 77.304 11.352 -8.643 231 HN1 RCY 30 HN1 RCY 30 78.074 14.086 -9.213 232 H LYS 31 HN LYS 31 78.110 10.267 -10.372 233 HA LYS 31 HA LYS 31 78.857 11.651 -12.807 234 HB2 LYS 31 HB2 LYS 31 78.726 8.676 -12.225 235 HB3 LYS 31 HB1 LYS 31 79.554 9.422 -13.592 236 HG2 LYS 31 HG2 LYS 31 81.162 10.465 -12.190 237 HG3 LYS 31 HG1 LYS 31 80.201 10.178 -10.739 238 HD2 LYS 31 HD2 LYS 31 80.525 7.730 -11.039 239 HD3 LYS 31 HD1 LYS 31 81.555 8.058 -12.433 240 HE2 LYS 31 HE2 LYS 31 83.254 8.990 -11.128 241 HE3 LYS 31 HE1 LYS 31 82.159 9.374 -9.800 242 HZ1 LYS 31 HZ1 LYS 31 82.880 7.502 -8.876 243 HZ2 LYS 31 HZ2 LYS 31 83.635 6.978 -10.305 244 HZ3 LYS 31 HZ3 LYS 31 81.984 6.666 -10.049 245 H GLN 32 HN GLN 32 78.179 10.185 -14.930 246 HA GLN 32 HA GLN 32 75.242 10.553 -15.090 247 HB2 GLN 32 HB2 GLN 32 75.742 10.052 -17.583 248 HB3 GLN 32 HB1 GLN 32 76.333 11.576 -16.922 249 HG2 GLN 32 HG2 GLN 32 78.114 9.177 -16.746 250 HG3 GLN 32 HG1 GLN 32 77.945 9.976 -18.309 251 HE21 GLN 32 HE21 GLN 32 79.045 11.961 -18.608 252 HE22 GLN 32 HE22 GLN 32 79.922 12.746 -17.385 253 H ARG 33 HN ARG 33 74.557 8.659 -13.948 254 HA ARG 33 HA ARG 33 75.456 6.039 -14.225 255 HE ARG 33 HE ARG 33 71.412 8.918 -12.346 256 HB2 ARG 33 HB2 ARG 33 73.112 5.337 -13.719 257 HB3 ARG 33 HB1 ARG 33 73.683 6.623 -12.654 258 HG2 ARG 33 HG2 ARG 33 72.533 8.302 -14.024 259 HG3 ARG 33 HG1 ARG 33 72.000 7.046 -15.142 260 HD2 ARG 33 HD2 ARG 33 70.161 6.828 -13.853 261 HD3 ARG 33 HD1 ARG 33 71.209 6.113 -12.628 262 HH11 ARG 33 HH21 ARG 33 69.076 6.389 -12.146 263 HH12 ARG 33 HH22 ARG 33 68.116 7.190 -10.947 264 HH21 ARG 33 HH11 ARG 33 70.172 9.978 -10.782 265 HH22 ARG 33 HH12 ARG 33 68.736 9.222 -10.174 266 H GLN 34 HN GLN 34 74.507 4.232 -15.523 267 HA GLN 34 HA GLN 34 73.117 4.897 -18.003 268 HB2 GLN 34 HB2 GLN 34 75.544 5.514 -18.435 269 HB3 GLN 34 HB1 GLN 34 75.931 3.805 -18.227 270 HG2 GLN 34 HG2 GLN 34 74.124 3.353 -20.001 271 HG3 GLN 34 HG1 GLN 34 74.201 5.081 -20.349 272 HE21 GLN 34 HE21 GLN 34 75.228 2.456 -21.790 273 HE22 GLN 34 HE22 GLN 34 76.808 2.883 -22.241 274 H THR 35 HN THR 35 75.407 2.380 -16.927 275 HA THR 35 HA THR 35 73.207 0.443 -16.673 276 HB THR 35 HB THR 35 73.568 0.183 -19.022 277 HG1 THR 35 HG1 THR 35 75.122 -1.701 -17.583 278 HG21 THR 35 HG21 THR 35 75.589 1.415 -19.350 279 HG22 THR 35 HG22 THR 35 75.936 -0.234 -19.871 280 HG23 THR 35 HG23 THR 35 76.500 0.332 -18.298 281 H ARG 36 HN ARG 36 74.211 -1.777 -16.047 282 HA ARG 36 HA ARG 36 76.182 -1.255 -13.936 283 HE ARG 36 HE ARG 36 73.048 -4.505 -12.564 284 HB2 ARG 36 HB2 ARG 36 75.802 -3.638 -13.351 285 HB3 ARG 36 HB1 ARG 36 74.287 -2.745 -13.482 286 HG2 ARG 36 HG2 ARG 36 74.555 -3.587 -16.048 287 HG3 ARG 36 HG1 ARG 36 75.358 -4.912 -15.206 288 HD2 ARG 36 HD2 ARG 36 72.529 -3.915 -14.814 289 HD3 ARG 36 HD1 ARG 36 73.048 -5.520 -15.327 290 HH11 ARG 36 HH21 ARG 36 74.119 -6.826 -14.878 291 HH12 ARG 36 HH22 ARG 36 74.482 -8.036 -13.693 292 HH21 ARG 36 HH11 ARG 36 73.516 -6.072 -11.004 293 HH22 ARG 36 HH12 ARG 36 74.141 -7.609 -11.500 294 H GLN 37 HN GLN 37 77.733 -0.654 -15.857 295 HA GLN 37 HA GLN 37 78.870 -2.754 -17.449 296 HB2 GLN 37 HB2 GLN 37 79.130 -0.284 -17.876 297 HB3 GLN 37 HB1 GLN 37 80.243 -0.219 -16.509 298 HG2 GLN 37 HG2 GLN 37 81.608 -0.477 -18.458 299 HG3 GLN 37 HG1 GLN 37 81.577 -2.056 -17.672 300 HE21 GLN 37 HE21 GLN 37 80.340 -0.222 -20.452 301 HE22 GLN 37 HE22 GLN 37 79.785 -1.574 -21.315 302 H1U RCY 38 H1U RCY 38 81.918 1.573 -7.348 303 H1S RCY 38 H1S RCY 38 81.719 -2.110 -10.500 304 HB1 RCY 38 HB1 RCY 38 81.671 -3.708 -12.111 305 HB2 RCY 38 HB2 RCY 38 80.333 -4.012 -13.218 306 HA RCY 38 HA RCY 38 82.420 -1.834 -13.541 307 HN1 RCY 38 HN1 RCY 38 80.751 -1.011 -14.981 308 H LYS 39 HN LYS 39 83.352 -4.327 -12.936 309 HA LYS 39 HA LYS 39 83.620 -6.029 -15.269 310 HB2 LYS 39 HB2 LYS 39 85.990 -5.605 -15.720 311 HB3 LYS 39 HB1 LYS 39 85.064 -4.123 -15.949 312 HG2 LYS 39 HG2 LYS 39 86.593 -3.175 -14.561 313 HG3 LYS 39 HG1 LYS 39 85.707 -3.991 -13.272 314 HD2 LYS 39 HD2 LYS 39 87.195 -5.924 -13.427 315 HD3 LYS 39 HD1 LYS 39 88.046 -5.189 -14.785 316 HE2 LYS 39 HE2 LYS 39 88.862 -3.393 -13.398 317 HE3 LYS 39 HE1 LYS 39 87.844 -3.903 -12.051 318 HZ1 LYS 39 HZ1 LYS 39 89.606 -5.944 -13.098 319 HZ2 LYS 39 HZ2 LYS 39 89.253 -5.531 -11.488 320 HZ3 LYS 39 HZ3 LYS 39 90.397 -4.634 -12.367 321 H SER 40 HN SER 40 84.633 -5.041 -12.065 322 HA SER 40 HA SER 40 85.945 -7.634 -11.539 323 HG SER 40 HG SER 40 87.509 -6.631 -8.976 324 HB2 SER 40 HB2 SER 40 86.816 -5.481 -10.576 325 HB3 SER 40 HB1 SER 40 85.341 -5.363 -9.621 326 H LYS 41 HN LYS 41 83.378 -8.166 -12.245 327 HA LYS 41 HA LYS 41 82.220 -9.102 -9.685 328 HB2 LYS 41 HB2 LYS 41 79.961 -8.314 -10.331 329 HB3 LYS 41 HB1 LYS 41 81.083 -6.976 -10.098 330 HG2 LYS 41 HG2 LYS 41 80.528 -6.275 -12.173 331 HG3 LYS 41 HG1 LYS 41 81.387 -7.686 -12.793 332 HD2 LYS 41 HD2 LYS 41 79.175 -8.966 -12.321 333 HD3 LYS 41 HD1 LYS 41 78.438 -7.365 -12.260 334 HE2 LYS 41 HE2 LYS 41 78.206 -7.979 -14.522 335 HE3 LYS 41 HE1 LYS 41 79.646 -6.961 -14.523 336 HZ1 LYS 41 HZ1 LYS 41 80.932 -9.092 -14.223 337 HZ2 LYS 41 HZ2 LYS 41 80.207 -8.866 -15.742 338 HZ3 LYS 41 HZ3 LYS 41 79.500 -9.916 -14.609 339 HA PRO 42 HA PRO 42 81.887 -12.410 -12.784 340 HB2 PRO 42 HB2 PRO 42 81.945 -14.501 -11.058 341 HB3 PRO 42 HB1 PRO 42 83.409 -13.599 -11.497 342 HG2 PRO 42 HG2 PRO 42 81.765 -13.437 -9.028 343 HG3 PRO 42 HG1 PRO 42 83.520 -13.315 -9.229 344 HD2 PRO 42 HD2 PRO 42 81.801 -11.141 -8.916 345 HD3 PRO 42 HD1 PRO 42 83.435 -11.053 -9.609 346 HA PRO 43 HA PRO 43 77.499 -13.096 -12.470 347 HB2 PRO 43 HB2 PRO 43 77.200 -15.272 -14.090 348 HB3 PRO 43 HB1 PRO 43 77.569 -13.653 -14.716 349 HG2 PRO 43 HG2 PRO 43 79.396 -15.960 -14.268 350 HG3 PRO 43 HG1 PRO 43 79.350 -14.798 -15.605 351 HD2 PRO 43 HD2 PRO 43 81.146 -14.631 -13.533 352 HD3 PRO 43 HD1 PRO 43 80.581 -13.217 -14.450 353 H LYS 44 HN LYS 44 76.491 -13.930 -10.709 354 HA LYS 44 HA LYS 44 75.856 -16.524 -10.111 355 HB2 LYS 44 HB2 LYS 44 77.589 -17.092 -8.289 356 HB3 LYS 44 HB1 LYS 44 78.096 -17.319 -9.958 357 HG2 LYS 44 HG2 LYS 44 79.616 -15.615 -9.869 358 HG3 LYS 44 HG1 LYS 44 78.574 -14.610 -8.861 359 HD2 LYS 44 HD2 LYS 44 80.360 -15.179 -7.425 360 HD3 LYS 44 HD1 LYS 44 79.087 -16.317 -6.981 361 HE2 LYS 44 HE2 LYS 44 81.421 -16.863 -8.839 362 HE3 LYS 44 HE1 LYS 44 81.191 -17.528 -7.221 363 HZ1 LYS 44 HZ1 LYS 44 80.389 -19.197 -8.563 364 HZ2 LYS 44 HZ2 LYS 44 79.722 -18.126 -9.700 365 HZ3 LYS 44 HZ3 LYS 44 78.965 -18.352 -8.196 366 H LYS 45 HN LYS 45 77.616 -15.249 -7.445 367 HA LYS 45 HA LYS 45 76.807 -14.408 -5.402 368 HB2 LYS 45 HB2 LYS 45 76.771 -12.471 -7.299 369 HB3 LYS 45 HB1 LYS 45 75.066 -12.477 -6.854 370 HG2 LYS 45 HG2 LYS 45 75.975 -10.951 -5.323 371 HG3 LYS 45 HG1 LYS 45 75.965 -12.453 -4.397 372 HD2 LYS 45 HD2 LYS 45 78.149 -11.771 -4.032 373 HD3 LYS 45 HD1 LYS 45 78.369 -12.745 -5.486 374 HE2 LYS 45 HE2 LYS 45 78.195 -10.715 -6.877 375 HE3 LYS 45 HE1 LYS 45 77.970 -9.738 -5.427 376 HZ1 LYS 45 HZ1 LYS 45 80.314 -9.961 -6.424 377 HZ2 LYS 45 HZ2 LYS 45 80.321 -11.494 -5.691 378 HZ3 LYS 45 HZ3 LYS 45 80.130 -10.097 -4.743 379 H GLY 46 HN GLY 46 74.358 -13.243 -4.716 380 HA2 GLY 46 HA2 GLY 46 72.734 -15.458 -4.130 381 HA3 GLY 46 HA1 GLY 46 72.147 -13.795 -4.150 382 H VAL 47 HN VAL 47 70.213 -15.267 -4.946 383 HA VAL 47 HA VAL 47 70.268 -16.234 -7.655 384 HB VAL 47 HB VAL 47 67.706 -15.998 -7.402 385 HG11 VAL 47 HG11 VAL 47 68.747 -18.132 -7.043 386 HG12 VAL 47 HG12 VAL 47 67.681 -17.857 -5.666 387 HG13 VAL 47 HG13 VAL 47 69.419 -17.612 -5.497 388 HG21 VAL 47 HG21 VAL 47 68.440 -15.527 -4.508 389 HG22 VAL 47 HG22 VAL 47 66.845 -15.442 -5.256 390 HG23 VAL 47 HG23 VAL 47 68.045 -14.194 -5.593 391 H GLN 48 HN GLN 48 67.601 -14.214 -7.462 392 HA GLN 48 HA GLN 48 68.978 -12.004 -8.936 393 HB2 GLN 48 HB2 GLN 48 66.329 -13.257 -9.725 394 HB3 GLN 48 HB1 GLN 48 67.176 -11.964 -10.574 395 HG2 GLN 48 HG2 GLN 48 68.361 -14.713 -10.114 396 HG3 GLN 48 HG1 GLN 48 67.500 -14.258 -11.585 397 HE21 GLN 48 HE21 GLN 48 68.449 -12.398 -12.853 398 HE22 GLN 48 HE22 GLN 48 70.119 -12.106 -12.757 399 H GLY 49 HN GLY 49 68.764 -10.924 -6.814 400 HA2 GLY 49 HA2 GLY 49 66.294 -10.491 -5.486 401 HA3 GLY 49 HA1 GLY 49 67.680 -9.403 -5.397 402 H1U RCY 50 H1U RCY 50 69.278 -1.962 -5.734 403 H1S RCY 50 H1S RCY 50 68.273 -5.574 -8.698 404 HB1 RCY 50 HB1 RCY 50 66.688 -6.427 -7.635 405 HB2 RCY 50 HB2 RCY 50 64.961 -6.291 -7.949 406 HA RCY 50 HA RCY 50 64.927 -8.160 -9.254 407 HN1 RCY 50 HN1 RCY 50 67.342 -9.381 -8.540 408 H GLY 51 HN GLY 51 68.066 -9.050 -9.803 409 HA2 GLY 51 HA2 GLY 51 68.985 -7.497 -11.955 410 HA3 GLY 51 HA1 GLY 51 69.304 -9.223 -11.790 411 H ASP 52 HN ASP 52 66.025 -9.015 -11.817 412 HA ASP 52 HA ASP 52 65.806 -8.962 -14.792 413 HB2 ASP 52 HB2 ASP 52 64.299 -11.005 -14.584 414 HB3 ASP 52 HB1 ASP 52 66.017 -11.304 -14.319 415 H ASP 53 HN ASP 53 64.849 -7.486 -12.140 416 HA ASP 53 HA ASP 53 61.928 -7.588 -12.548 417 HB2 ASP 53 HB2 ASP 53 63.057 -7.344 -10.271 418 HB3 ASP 53 HB1 ASP 53 63.464 -5.697 -10.753 419 H ILE 54 HN ILE 54 62.043 -4.567 -11.760 420 HA ILE 54 HA ILE 54 62.741 -3.455 -14.438 421 HB ILE 54 HB ILE 54 60.142 -2.823 -13.013 422 HG12 ILE 54 HG12 ILE 54 59.323 -4.133 -15.196 423 HG13 ILE 54 HG11 ILE 54 60.870 -4.953 -14.980 424 HG21 ILE 54 HG21 ILE 54 61.213 -2.232 -15.789 425 HG22 ILE 54 HG22 ILE 54 60.949 -1.061 -14.497 426 HG23 ILE 54 HG23 ILE 54 59.574 -1.867 -15.250 427 HD11 ILE 54 HD11 ILE 54 58.440 -5.011 -13.267 428 HD12 ILE 54 HD12 ILE 54 59.992 -5.001 -12.429 429 HD13 ILE 54 HD13 ILE 54 59.622 -6.280 -13.586 430 HA PRO 55 HA PRO 55 64.082 -0.662 -11.029 431 HB2 PRO 55 HB2 PRO 55 66.737 -0.672 -11.557 432 HB3 PRO 55 HB1 PRO 55 65.956 -1.971 -10.636 433 HG2 PRO 55 HG2 PRO 55 66.925 -1.956 -13.427 434 HG3 PRO 55 HG1 PRO 55 66.819 -3.291 -12.271 435 HD2 PRO 55 HD2 PRO 55 64.993 -2.730 -14.369 436 HD3 PRO 55 HD1 PRO 55 64.770 -3.907 -13.057 437 H GLY 56 HN GLY 56 65.269 1.486 -11.230 438 HA2 GLY 56 HA2 GLY 56 66.021 3.362 -12.510 439 HA3 GLY 56 HA1 GLY 56 65.597 2.495 -13.985 440 H MET 57 HN MET 57 62.907 1.887 -12.497 441 HA MET 57 HA MET 57 61.430 4.002 -13.768 442 HB2 MET 57 HB2 MET 57 59.459 3.035 -12.589 443 HB3 MET 57 HB1 MET 57 60.408 1.812 -13.431 444 HG2 MET 57 HG2 MET 57 61.663 1.640 -11.105 445 HG3 MET 57 HG1 MET 57 60.157 2.318 -10.486 446 HE1 MET 57 HE1 MET 57 57.993 1.627 -11.033 447 HE2 MET 57 HE2 MET 57 57.443 -0.039 -11.200 448 HE3 MET 57 HE3 MET 57 57.908 0.877 -12.632 449 H GLU 58 HN GLU 58 61.533 3.239 -10.264 450 HA GLU 58 HA GLU 58 62.425 5.563 -9.149 451 HB2 GLU 58 HB2 GLU 58 61.047 7.082 -10.275 452 HB3 GLU 58 HB1 GLU 58 59.674 5.976 -10.296 453 HG2 GLU 58 HG2 GLU 58 59.138 6.399 -8.043 454 HG3 GLU 58 HG1 GLU 58 60.742 7.041 -7.687 455 H GLY 59 HN GLY 59 62.698 4.527 -7.219 456 HA2 GLY 59 HA2 GLY 59 61.797 4.023 -5.018 457 HA3 GLY 59 HA1 GLY 59 60.249 3.642 -5.774 458 H1U RCY 60 H1U RCY 60 67.583 3.611 -3.394 459 H1S RCY 60 H1S RCY 60 67.198 2.076 -7.973 460 HB1 RCY 60 HB1 RCY 60 65.055 -0.689 -7.226 461 HB2 RCY 60 HB2 RCY 60 65.388 0.643 -6.121 462 HA RCY 60 HA RCY 60 62.720 -0.141 -7.315 463 HN1 RCY 60 HN1 RCY 60 63.442 2.502 -6.806 464 H GLY 61 HN GLY 61 63.041 -2.118 -6.060 465 HA2 GLY 61 HA2 GLY 61 62.589 -3.395 -4.142 466 HA3 GLY 61 HA1 GLY 61 63.708 -2.291 -3.341 467 H THR 62 HN THR 62 60.401 -1.952 -4.690 468 HA THR 62 HA THR 62 59.493 0.032 -2.953 469 HB THR 62 HB THR 62 57.332 -0.502 -3.626 470 HG1 THR 62 HG1 THR 62 56.613 -2.567 -3.840 471 HG21 THR 62 HG21 THR 62 58.897 -2.100 -5.657 472 HG22 THR 62 HG22 THR 62 58.998 -0.342 -5.562 473 HG23 THR 62 HG23 THR 62 57.456 -1.119 -5.922 474 H ASP 63 HN ASP 63 60.374 -3.178 -2.145 475 HA ASP 63 HA ASP 63 58.671 -3.505 0.168 476 HB2 ASP 63 HB2 ASP 63 61.444 -4.667 -0.242 477 HB3 ASP 63 HB1 ASP 63 60.159 -5.309 0.782 478 H ILE 64 HN ILE 64 59.573 -0.902 0.102 479 HA ILE 64 HA ILE 64 60.307 0.685 1.668 480 HB ILE 64 HB ILE 64 61.552 -1.610 3.186 481 HG12 ILE 64 HG12 ILE 64 58.924 -0.190 3.709 482 HG13 ILE 64 HG11 ILE 64 59.044 -1.753 2.900 483 HG21 ILE 64 HG21 ILE 64 62.455 0.678 3.641 484 HG22 ILE 64 HG22 ILE 64 61.625 -0.019 5.033 485 HG23 ILE 64 HG23 ILE 64 60.822 1.205 4.049 486 HD11 ILE 64 HD11 ILE 64 60.027 -2.774 4.846 487 HD12 ILE 64 HD12 ILE 64 58.604 -1.886 5.391 488 HD13 ILE 64 HD13 ILE 64 60.214 -1.210 5.640 489 H THR 65 HN THR 65 61.557 1.425 -0.051 490 HA THR 65 HA THR 65 64.088 0.402 -0.787 491 HB THR 65 HB THR 65 63.315 1.940 -2.326 492 HG1 THR 65 HG1 THR 65 64.520 4.019 -1.059 493 HG21 THR 65 HG21 THR 65 62.489 4.268 -1.386 494 HG22 THR 65 HG22 THR 65 62.286 3.353 0.108 495 HG23 THR 65 HG23 THR 65 61.422 2.864 -1.350 496 H VAL 66 HN VAL 66 63.871 3.597 0.723 497 HA VAL 66 HA VAL 66 66.328 3.957 1.730 498 HB VAL 66 HB VAL 66 65.343 4.936 3.821 499 HG11 VAL 66 HG11 VAL 66 65.370 6.360 1.900 500 HG12 VAL 66 HG12 VAL 66 63.746 6.495 2.575 501 HG13 VAL 66 HG13 VAL 66 64.029 5.492 1.152 502 HG21 VAL 66 HG21 VAL 66 62.863 3.590 2.717 503 HG22 VAL 66 HG22 VAL 66 62.799 4.887 3.911 504 HG23 VAL 66 HG23 VAL 66 63.592 3.362 4.307 505 H ILE 67 HN ILE 67 63.987 1.663 3.090 506 HA ILE 67 HA ILE 67 66.301 0.206 4.285 507 HB ILE 67 HB ILE 67 63.762 0.859 5.806 508 HG12 ILE 67 HG12 ILE 67 66.638 1.670 6.335 509 HG13 ILE 67 HG11 ILE 67 65.431 2.724 5.596 510 HG21 ILE 67 HG21 ILE 67 65.066 -0.264 7.682 511 HG22 ILE 67 HG22 ILE 67 66.176 -0.852 6.445 512 HG23 ILE 67 HG23 ILE 67 64.483 -1.345 6.418 513 HD11 ILE 67 HD11 ILE 67 65.408 1.557 8.387 514 HD12 ILE 67 HD12 ILE 67 63.983 2.292 7.651 515 HD13 ILE 67 HD13 ILE 67 65.432 3.260 7.928 516 H1U RCY 68 H1U RCY 68 71.371 -1.286 0.703 517 H1S RCY 68 H1S RCY 68 67.775 -2.820 -0.707 518 HB1 RCY 68 HB1 RCY 68 64.723 -2.105 0.435 519 HB2 RCY 68 HB2 RCY 68 64.010 -3.714 0.512 520 HA RCY 68 HA RCY 68 63.349 -2.755 2.558 521 HN1 RCY 68 HN1 RCY 68 65.927 -1.307 2.532 522 HA PRO 69 HA PRO 69 64.622 -5.954 5.311 523 HB2 PRO 69 HB2 PRO 69 63.878 -8.191 3.711 524 HB3 PRO 69 HB1 PRO 69 62.902 -7.403 4.961 525 HG2 PRO 69 HG2 PRO 69 62.796 -7.114 2.032 526 HG3 PRO 69 HG1 PRO 69 61.521 -6.899 3.240 527 HD2 PRO 69 HD2 PRO 69 62.683 -4.792 1.964 528 HD3 PRO 69 HD1 PRO 69 62.080 -4.676 3.634 529 H TRP 70 HN TRP 70 65.573 -6.156 1.930 530 HA TRP 70 HA TRP 70 67.754 -8.032 2.454 531 HD1 TRP 70 HD1 TRP 70 69.620 -8.597 1.678 532 HE1 TRP 70 HE1 TRP 70 71.554 -9.091 0.049 533 HE3 TRP 70 HE3 TRP 70 67.672 -6.644 -2.619 534 HZ2 TRP 70 HZ2 TRP 70 72.193 -8.708 -2.718 535 HZ3 TRP 70 HZ3 TRP 70 68.960 -6.721 -4.731 536 HH2 TRP 70 HH2 TRP 70 71.214 -7.748 -4.789 537 HB2 TRP 70 HB2 TRP 70 66.622 -8.003 0.266 538 HB3 TRP 70 HB1 TRP 70 67.116 -6.330 0.023 539 H GLU 71 HN GLU 71 67.295 -4.733 2.987 540 HA GLU 71 HA GLU 71 70.010 -3.856 2.348 541 HB2 GLU 71 HB2 GLU 71 67.731 -2.476 2.607 542 HB3 GLU 71 HB1 GLU 71 68.288 -2.338 4.272 543 HG2 GLU 71 HG2 GLU 71 70.546 -1.610 3.283 544 HG3 GLU 71 HG1 GLU 71 69.684 -1.414 1.756 545 H ALA 72 HN ALA 72 68.279 -4.994 5.205 546 HA ALA 72 HA ALA 72 70.349 -4.304 7.094 547 HB1 ALA 72 HB1 ALA 72 68.264 -6.494 7.313 548 HB2 ALA 72 HB2 ALA 72 67.973 -4.802 7.714 549 HB3 ALA 72 HB3 ALA 72 69.142 -5.740 8.644 550 H1U RCY 73 H1U RCY 73 73.735 -4.642 -1.214 551 H1S RCY 73 H1S RCY 73 75.335 -8.280 1.546 552 HB1 RCY 73 HB1 RCY 73 74.514 -6.197 4.711 553 HB2 RCY 73 HB2 RCY 73 73.187 -6.340 3.559 554 HA RCY 73 HA RCY 73 72.274 -8.147 5.214 555 HN1 RCY 73 HN1 RCY 73 71.898 -5.294 5.201 556 H ASN 74 HN ASN 74 72.454 -6.158 7.748 557 HA ASN 74 HA ASN 74 73.429 -6.359 9.867 558 HB2 ASN 74 HB2 ASN 74 74.733 -8.915 8.914 559 HB3 ASN 74 HB1 ASN 74 74.234 -8.483 10.548 560 HD21 ASN 74 HD21 ASN 74 71.637 -7.662 10.304 561 HD22 ASN 74 HD22 ASN 74 70.671 -8.874 9.612 562 H HIS 75 HN HIS 75 76.183 -8.177 9.135 563 HA HIS 75 HA HIS 75 78.067 -6.251 9.783 564 HD1 HIS 75 HD1 HIS 75 80.556 -6.596 10.212 565 HD2 HIS 75 HD2 HIS 75 78.718 -10.335 10.417 566 HE1 HIS 75 HE1 HIS 75 81.449 -7.718 12.299 567 HE2 HIS 75 HE2 HIS 75 80.338 -9.995 12.436 568 HB2 HIS 75 HB2 HIS 75 78.104 -8.769 8.234 569 HB3 HIS 75 HB1 HIS 75 79.426 -7.667 7.850 570 H1U RCY 76 H1U RCY 76 80.969 -3.669 0.349 571 H1S RCY 76 H1S RCY 76 79.241 -3.533 4.843 572 HB1 RCY 76 HB1 RCY 76 77.359 -2.027 6.937 573 HB2 RCY 76 HB2 RCY 76 76.595 -3.614 7.018 574 HA RCY 76 HA RCY 76 79.079 -4.160 5.891 575 HN1 RCY 76 HN1 RCY 76 79.091 -4.568 8.721 576 H GLU 77 HN GLU 77 78.529 -1.924 8.634 577 HA GLU 77 HA GLU 77 80.708 -0.209 7.800 578 HB2 GLU 77 HB2 GLU 77 80.314 0.786 10.161 579 HB3 GLU 77 HB1 GLU 77 78.998 0.900 8.993 580 HG2 GLU 77 HG2 GLU 77 79.152 -1.505 10.782 581 HG3 GLU 77 HG1 GLU 77 78.519 0.008 11.432 582 H LEU 78 HN LEU 78 82.837 -0.456 8.263 583 HA LEU 78 HA LEU 78 84.783 -1.477 9.110 584 HG LEU 78 HG LEU 78 85.660 0.282 10.425 585 HB2 LEU 78 HB2 LEU 78 83.094 -0.892 11.543 586 HB3 LEU 78 HB1 LEU 78 84.698 -1.609 11.698 587 HD11 LEU 78 HD11 LEU 78 82.763 1.123 10.347 588 HD12 LEU 78 HD12 LEU 78 83.903 0.994 9.009 589 HD13 LEU 78 HD13 LEU 78 84.063 2.303 10.180 590 HD21 LEU 78 HD21 LEU 78 85.715 0.569 12.790 591 HD22 LEU 78 HD22 LEU 78 83.984 0.898 12.865 592 HD23 LEU 78 HD23 LEU 78 85.077 2.088 12.160 593 H HIS 79 HN HIS 79 83.192 -3.396 7.973 594 HA HIS 79 HA HIS 79 82.677 -5.556 9.894 595 HD1 HIS 79 HD1 HIS 79 81.301 -7.643 5.909 596 HD2 HIS 79 HD2 HIS 79 82.671 -7.961 9.836 597 HE1 HIS 79 HE1 HIS 79 81.249 -10.108 6.488 598 HE2 HIS 79 HE2 HIS 79 82.081 -10.315 8.876 599 HB2 HIS 79 HB2 HIS 79 81.210 -5.321 7.952 600 HB3 HIS 79 HB1 HIS 79 82.587 -5.484 6.863 601 H GLU 80 HN GLU 80 84.023 -6.669 6.969 602 HA GLU 80 HA GLU 80 86.706 -7.073 8.218 603 HB2 GLU 80 HB2 GLU 80 84.814 -9.168 7.153 604 HB3 GLU 80 HB1 GLU 80 86.557 -9.440 7.131 605 HG2 GLU 80 HG2 GLU 80 85.107 -8.572 9.635 606 HG3 GLU 80 HG1 GLU 80 85.295 -10.273 9.207 607 H LEU 81 HN LEU 81 84.703 -7.150 5.289 608 HA LEU 81 HA LEU 81 87.142 -6.998 3.601 609 HG LEU 81 HG LEU 81 84.978 -9.481 2.046 610 HB2 LEU 81 HB2 LEU 81 84.204 -7.401 3.030 611 HB3 LEU 81 HB1 LEU 81 85.339 -7.009 1.740 612 HD11 LEU 81 HD11 LEU 81 87.229 -8.171 1.378 613 HD12 LEU 81 HD12 LEU 81 87.161 -9.930 1.477 614 HD13 LEU 81 HD13 LEU 81 87.814 -8.995 2.823 615 HD21 LEU 81 HD21 LEU 81 85.708 -10.583 4.013 616 HD22 LEU 81 HD22 LEU 81 84.832 -9.174 4.612 617 HD23 LEU 81 HD23 LEU 81 86.595 -9.168 4.578 618 H ALA 82 HN ALA 82 84.859 -4.956 5.096 619 HA ALA 82 HA ALA 82 84.730 -2.827 3.175 620 HB1 ALA 82 HB1 ALA 82 83.225 -3.038 5.164 621 HB2 ALA 82 HB2 ALA 82 83.974 -1.447 5.037 622 HB3 ALA 82 HB3 ALA 82 84.591 -2.622 6.198 623 H GLN 83 HN GLN 83 85.795 -1.143 5.744 624 HA GLN 83 HA GLN 83 87.764 0.045 6.208 625 HB2 GLN 83 HB2 GLN 83 89.178 -2.328 4.952 626 HB3 GLN 83 HB1 GLN 83 89.872 -1.145 6.056 627 HG2 GLN 83 HG2 GLN 83 88.794 -2.027 7.906 628 HG3 GLN 83 HG1 GLN 83 87.444 -2.646 6.954 629 HE21 GLN 83 HE21 GLN 83 90.823 -3.301 7.879 630 HE22 GLN 83 HE22 GLN 83 90.805 -4.936 7.422 631 H TYR 84 HN TYR 84 88.479 -1.688 3.170 632 HA TYR 84 HA TYR 84 88.333 0.792 1.625 633 HD1 TYR 84 HD2 TYR 84 89.627 2.714 0.971 634 HD2 TYR 84 HD1 TYR 84 91.663 0.682 4.161 635 HE1 TYR 84 HE2 TYR 84 89.979 4.880 2.126 636 HE2 TYR 84 HE1 TYR 84 92.014 2.848 5.316 637 HH TYR 84 HH TYR 84 92.064 5.559 4.160 638 HB2 TYR 84 HB2 TYR 84 90.956 -0.538 2.301 639 HB3 TYR 84 HB1 TYR 84 90.758 0.313 0.769 640 H GLY 85 HN GLY 85 87.522 -2.239 1.905 641 HA2 GLY 85 HA2 GLY 85 88.319 -3.228 -0.768 642 HA3 GLY 85 HA1 GLY 85 87.377 -4.124 0.429 643 H ILE 86 HN ILE 86 87.216 -1.500 -1.917 644 HA ILE 86 HA ILE 86 85.416 -0.473 -2.973 645 HB ILE 86 HB ILE 86 85.425 -2.781 -3.999 646 HG12 ILE 86 HG12 ILE 86 82.638 -1.627 -3.737 647 HG13 ILE 86 HG11 ILE 86 83.904 -0.844 -4.684 648 HG21 ILE 86 HG21 ILE 86 84.774 -4.209 -2.233 649 HG22 ILE 86 HG22 ILE 86 83.349 -4.149 -3.270 650 HG23 ILE 86 HG23 ILE 86 83.406 -3.186 -1.794 651 HD11 ILE 86 HD11 ILE 86 82.527 -3.469 -5.171 652 HD12 ILE 86 HD12 ILE 86 84.165 -3.221 -5.776 653 HD13 ILE 86 HD13 ILE 86 82.860 -2.159 -6.305 654 H1U RCY 87 H1U RCY 87 76.308 -0.886 0.569 655 H1S RCY 87 H1S RCY 87 78.518 0.928 -2.568 656 HB1 RCY 87 HB1 RCY 87 81.943 2.456 -1.649 657 HB2 RCY 87 HB2 RCY 87 80.507 1.826 -0.843 658 HA RCY 87 HA RCY 87 82.640 0.899 0.091 659 HN1 RCY 87 HN1 RCY 87 83.407 0.513 -2.589 Start of MODEL 94 1 HA MET 1 HA MET 1 91.834 -2.484 17.182 2 HB2 MET 1 HB2 MET 1 93.359 -3.001 19.742 3 HB3 MET 1 HB1 MET 1 91.620 -2.781 19.539 4 HG2 MET 1 HG2 MET 1 91.864 -5.120 19.767 5 HG3 MET 1 HG1 MET 1 91.735 -4.879 18.024 6 HE1 MET 1 HE1 MET 1 95.412 -5.796 20.554 7 HE2 MET 1 HE2 MET 1 93.878 -6.639 20.758 8 HE3 MET 1 HE3 MET 1 93.957 -4.895 20.999 9 H ASN 2 HN ASN 2 94.957 -1.476 16.965 10 HA ASN 2 HA ASN 2 95.117 0.777 18.692 11 HB2 ASN 2 HB2 ASN 2 97.053 -0.040 17.423 12 HB3 ASN 2 HB1 ASN 2 96.269 0.413 15.909 13 HD21 ASN 2 HD21 ASN 2 98.091 1.932 15.493 14 HD22 ASN 2 HD22 ASN 2 98.153 3.423 16.303 15 H LEU 3 HN LEU 3 92.899 1.617 18.626 16 HA LEU 3 HA LEU 3 92.614 3.717 16.600 17 HG LEU 3 HG LEU 3 89.641 3.867 16.443 18 HB2 LEU 3 HB2 LEU 3 91.585 1.737 15.496 19 HB3 LEU 3 HB1 LEU 3 90.494 1.563 16.870 20 HD11 LEU 3 HD11 LEU 3 90.246 4.620 13.977 21 HD12 LEU 3 HD12 LEU 3 91.711 3.686 14.282 22 HD13 LEU 3 HD13 LEU 3 91.300 5.048 15.324 23 HD21 LEU 3 HD21 LEU 3 88.250 3.258 14.591 24 HD22 LEU 3 HD22 LEU 3 88.635 1.752 15.424 25 HD23 LEU 3 HD23 LEU 3 89.481 2.178 13.936 26 H GLU 4 HN GLU 4 92.340 5.366 18.053 27 HA GLU 4 HA GLU 4 90.895 4.969 20.553 28 HB2 GLU 4 HB2 GLU 4 91.794 7.577 19.301 29 HB3 GLU 4 HB1 GLU 4 91.409 7.292 20.998 30 HG2 GLU 4 HG2 GLU 4 93.777 7.200 20.907 31 HG3 GLU 4 HG1 GLU 4 93.271 5.511 20.938 32 HA PRO 5 HA PRO 5 86.715 5.581 19.149 33 HB2 PRO 5 HB2 PRO 5 86.629 7.447 21.497 34 HB3 PRO 5 HB1 PRO 5 85.475 6.186 21.021 35 HG2 PRO 5 HG2 PRO 5 87.256 5.814 22.986 36 HG3 PRO 5 HG1 PRO 5 86.742 4.500 21.917 37 HD2 PRO 5 HD2 PRO 5 89.354 5.881 22.042 38 HD3 PRO 5 HD1 PRO 5 88.951 4.294 21.353 39 HA PRO 6 HA PRO 6 87.541 9.567 17.116 40 HB2 PRO 6 HB2 PRO 6 85.901 9.218 14.983 41 HB3 PRO 6 HB1 PRO 6 87.471 8.402 15.113 42 HG2 PRO 6 HG2 PRO 6 84.743 7.328 15.602 43 HG3 PRO 6 HG1 PRO 6 86.149 6.548 14.861 44 HD2 PRO 6 HD2 PRO 6 85.341 6.151 17.490 45 HD3 PRO 6 HD1 PRO 6 86.986 5.856 16.887 46 H LYS 7 HN LYS 7 86.545 11.485 17.604 47 HA LYS 7 HA LYS 7 83.802 11.445 18.656 48 HB2 LYS 7 HB2 LYS 7 84.428 14.074 18.669 49 HB3 LYS 7 HB1 LYS 7 84.972 12.967 19.925 50 HG2 LYS 7 HG2 LYS 7 86.649 13.204 17.461 51 HG3 LYS 7 HG1 LYS 7 86.696 14.532 18.621 52 HD2 LYS 7 HD2 LYS 7 87.478 13.135 20.365 53 HD3 LYS 7 HD1 LYS 7 87.024 11.665 19.503 54 HE2 LYS 7 HE2 LYS 7 89.011 13.522 18.242 55 HE3 LYS 7 HE1 LYS 7 89.547 12.458 19.542 56 HZ1 LYS 7 HZ1 LYS 7 88.438 10.619 18.242 57 HZ2 LYS 7 HZ2 LYS 7 89.862 11.259 17.572 58 HZ3 LYS 7 HZ3 LYS 7 88.348 11.706 16.943 59 H ALA 8 HN ALA 8 83.776 10.682 16.006 60 HA ALA 8 HA ALA 8 83.519 12.609 14.004 61 HB1 ALA 8 HB1 ALA 8 81.443 10.957 13.377 62 HB2 ALA 8 HB2 ALA 8 82.309 9.952 14.537 63 HB3 ALA 8 HB3 ALA 8 83.134 10.541 13.095 64 H GLU 9 HN GLU 9 80.438 11.295 15.068 65 HA GLU 9 HA GLU 9 78.403 12.381 15.499 66 HB2 GLU 9 HB2 GLU 9 80.264 14.334 16.888 67 HB3 GLU 9 HB1 GLU 9 78.524 14.212 17.144 68 HG2 GLU 9 HG2 GLU 9 80.389 11.866 17.547 69 HG3 GLU 9 HG1 GLU 9 79.983 12.989 18.846 70 H1U RCY 10 H1U RCY 10 78.388 9.529 11.660 71 H1S RCY 10 H1S RCY 10 80.078 13.154 12.140 72 HB1 RCY 10 HB1 RCY 10 81.184 15.629 12.692 73 HB2 RCY 10 HB2 RCY 10 80.507 17.076 11.945 74 HA RCY 10 HA RCY 10 79.813 17.335 14.157 75 HN1 RCY 10 HN1 RCY 10 80.214 15.410 15.452 76 H ARG 11 HN ARG 11 78.385 17.451 11.625 77 HA ARG 11 HA ARG 11 75.690 16.419 12.120 78 HE ARG 11 HE ARG 11 75.716 21.302 10.948 79 HB2 ARG 11 HB2 ARG 11 74.810 18.894 11.993 80 HB3 ARG 11 HB1 ARG 11 75.351 18.245 13.541 81 HG2 ARG 11 HG2 ARG 11 77.466 19.341 13.374 82 HG3 ARG 11 HG1 ARG 11 77.205 19.736 11.675 83 HD2 ARG 11 HD2 ARG 11 75.320 20.751 13.795 84 HD3 ARG 11 HD1 ARG 11 76.820 21.607 13.438 85 HH11 ARG 11 HH21 ARG 11 74.542 22.384 14.003 86 HH12 ARG 11 HH22 ARG 11 73.393 23.486 13.321 87 HH21 ARG 11 HH11 ARG 11 74.223 22.735 10.039 88 HH22 ARG 11 HH12 ARG 11 73.212 23.685 11.077 89 H SER 12 HN SER 12 77.700 18.723 10.285 90 HA SER 12 HA SER 12 77.678 19.262 7.999 91 HG SER 12 HG SER 12 76.093 16.012 6.579 92 HB2 SER 12 HB2 SER 12 77.649 17.419 6.555 93 HB3 SER 12 HB1 SER 12 78.058 16.669 8.095 94 H ALA 13 HN ALA 13 75.826 18.413 5.991 95 HA ALA 13 HA ALA 13 73.353 19.801 6.954 96 HB1 ALA 13 HB1 ALA 13 74.667 20.924 5.130 97 HB2 ALA 13 HB2 ALA 13 73.015 20.519 4.661 98 HB3 ALA 13 HB3 ALA 13 74.359 19.520 4.108 99 H THR 14 HN THR 14 72.803 18.563 3.942 100 HA THR 14 HA THR 14 71.469 16.795 3.175 101 HB THR 14 HB THR 14 72.163 14.631 3.777 102 HG1 THR 14 HG1 THR 14 72.086 15.697 6.244 103 HG21 THR 14 HG21 THR 14 74.530 14.729 3.794 104 HG22 THR 14 HG22 THR 14 74.542 16.233 4.716 105 HG23 THR 14 HG23 THR 14 74.031 16.237 3.028 106 H ARG 15 HN ARG 15 69.320 16.997 3.539 107 HA ARG 15 HA ARG 15 68.164 17.440 6.130 108 HE ARG 15 HE ARG 15 67.476 20.316 1.871 109 HB2 ARG 15 HB2 ARG 15 66.760 16.396 3.655 110 HB3 ARG 15 HB1 ARG 15 66.025 17.251 5.010 111 HG2 ARG 15 HG2 ARG 15 67.123 19.293 4.450 112 HG3 ARG 15 HG1 ARG 15 68.215 18.481 3.327 113 HD2 ARG 15 HD2 ARG 15 65.991 17.781 2.112 114 HD3 ARG 15 HD1 ARG 15 65.306 19.151 2.987 115 HH11 ARG 15 HH21 ARG 15 65.145 18.096 0.637 116 HH12 ARG 15 HH22 ARG 15 65.257 18.678 -0.991 117 HH21 ARG 15 HH11 ARG 15 67.636 21.089 -0.247 118 HH22 ARG 15 HH12 ARG 15 66.667 20.372 -1.491 119 H VAL 16 HN VAL 16 69.389 15.494 7.096 120 HA VAL 16 HA VAL 16 68.016 12.907 6.579 121 HB VAL 16 HB VAL 16 70.458 13.600 8.239 122 HG11 VAL 16 HG11 VAL 16 70.704 11.050 8.229 123 HG12 VAL 16 HG12 VAL 16 69.017 10.992 7.718 124 HG13 VAL 16 HG13 VAL 16 69.443 11.704 9.274 125 HG21 VAL 16 HG21 VAL 16 70.275 11.939 5.716 126 HG22 VAL 16 HG22 VAL 16 71.722 12.602 6.476 127 HG23 VAL 16 HG23 VAL 16 70.575 13.677 5.678 128 H MET 17 HN MET 17 66.886 11.815 8.232 129 HA MET 17 HA MET 17 66.712 12.961 10.921 130 HB2 MET 17 HB2 MET 17 64.288 13.403 10.820 131 HB3 MET 17 HB1 MET 17 65.156 14.419 9.670 132 HG2 MET 17 HG2 MET 17 63.499 13.625 8.273 133 HG3 MET 17 HG1 MET 17 64.687 12.340 8.055 134 HE1 MET 17 HE1 MET 17 60.718 12.269 10.296 135 HE2 MET 17 HE2 MET 17 61.257 13.366 9.026 136 HE3 MET 17 HE3 MET 17 61.955 13.484 10.640 137 H GLY 18 HN GLY 18 65.549 10.644 8.518 138 HA2 GLY 18 HA2 GLY 18 65.410 8.282 8.866 139 HA3 GLY 18 HA1 GLY 18 65.557 8.553 10.603 140 H GLY 19 HN GLY 19 63.712 8.373 11.778 141 HA2 GLY 19 HA2 GLY 19 61.378 8.745 12.235 142 HA3 GLY 19 HA1 GLY 19 61.105 8.996 10.509 143 HA PRO 20 HA PRO 20 59.813 4.636 12.208 144 HB2 PRO 20 HB2 PRO 20 57.490 5.554 10.547 145 HB3 PRO 20 HB1 PRO 20 57.497 4.594 12.039 146 HG2 PRO 20 HG2 PRO 20 56.878 7.192 12.039 147 HG3 PRO 20 HG1 PRO 20 57.748 6.434 13.382 148 HD2 PRO 20 HD2 PRO 20 58.758 8.325 11.332 149 HD3 PRO 20 HD1 PRO 20 59.385 7.985 12.959 150 H1U RCY 21 H1U RCY 21 64.884 3.555 2.307 151 H1S RCY 21 H1S RCY 21 62.277 3.104 6.365 152 HB1 RCY 21 HB1 RCY 21 62.815 1.895 8.116 153 HB2 RCY 21 HB2 RCY 21 62.952 2.585 9.733 154 HA RCY 21 HA RCY 21 60.699 3.469 7.956 155 HN1 RCY 21 HN1 RCY 21 61.077 3.321 10.916 156 H THR 22 HN THR 22 59.074 2.073 7.397 157 HA THR 22 HA THR 22 59.364 -0.767 8.243 158 HB THR 22 HB THR 22 56.807 0.853 8.428 159 HG1 THR 22 HG1 THR 22 57.572 -0.592 10.578 160 HG21 THR 22 HG21 THR 22 55.930 -1.363 9.356 161 HG22 THR 22 HG22 THR 22 57.366 -2.108 8.655 162 HG23 THR 22 HG23 THR 22 56.194 -1.301 7.613 163 HA PRO 23 HA PRO 23 58.946 -0.498 3.669 164 HB2 PRO 23 HB2 PRO 23 59.590 -3.390 4.024 165 HB3 PRO 23 HB1 PRO 23 60.312 -2.198 2.926 166 HG2 PRO 23 HG2 PRO 23 61.588 -3.046 5.109 167 HG3 PRO 23 HG1 PRO 23 61.726 -1.374 4.538 168 HD2 PRO 23 HD2 PRO 23 60.184 -2.448 6.867 169 HD3 PRO 23 HD1 PRO 23 60.990 -0.875 6.675 170 H ARG 24 HN ARG 24 57.951 -2.657 2.281 171 HA ARG 24 HA ARG 24 55.415 -3.446 3.633 172 HE ARG 24 HE ARG 24 53.048 -1.397 0.520 173 HB2 ARG 24 HB2 ARG 24 55.704 -1.923 1.041 174 HB3 ARG 24 HB1 ARG 24 54.286 -2.924 1.356 175 HG2 ARG 24 HG2 ARG 24 53.573 -1.588 3.136 176 HG3 ARG 24 HG1 ARG 24 55.185 -0.933 3.420 177 HD2 ARG 24 HD2 ARG 24 53.713 0.753 2.372 178 HD3 ARG 24 HD1 ARG 24 55.054 0.329 1.307 179 HH11 ARG 24 HH21 ARG 24 53.335 2.001 1.028 180 HH12 ARG 24 HH22 ARG 24 52.171 2.415 -0.186 181 HH21 ARG 24 HH11 ARG 24 51.526 -0.876 -1.068 182 HH22 ARG 24 HH12 ARG 24 51.147 0.786 -1.372 183 H LYS 25 HN LYS 25 57.574 -5.124 3.277 184 HA LYS 25 HA LYS 25 58.141 -7.213 2.389 185 HB2 LYS 25 HB2 LYS 25 55.623 -7.515 2.817 186 HB3 LYS 25 HB1 LYS 25 55.411 -7.224 1.091 187 HG2 LYS 25 HG2 LYS 25 55.613 -9.548 1.142 188 HG3 LYS 25 HG1 LYS 25 57.281 -9.060 0.842 189 HD2 LYS 25 HD2 LYS 25 57.643 -10.477 2.623 190 HD3 LYS 25 HD1 LYS 25 57.334 -8.989 3.518 191 HE2 LYS 25 HE2 LYS 25 54.979 -9.608 3.788 192 HE3 LYS 25 HE1 LYS 25 55.234 -11.066 2.829 193 HZ1 LYS 25 HZ1 LYS 25 57.105 -10.822 4.980 194 HZ2 LYS 25 HZ2 LYS 25 56.096 -12.124 4.564 195 HZ3 LYS 25 HZ3 LYS 25 55.501 -10.861 5.531 196 H GLY 26 HN GLY 26 55.977 -6.098 -0.224 197 HA2 GLY 26 HA2 GLY 26 56.474 -5.542 -2.454 198 HA3 GLY 26 HA1 GLY 26 58.139 -5.259 -1.945 199 HA PRO 27 HA PRO 27 58.255 -8.847 -4.906 200 HB2 PRO 27 HB2 PRO 27 61.121 -8.011 -4.628 201 HB3 PRO 27 HB1 PRO 27 60.217 -8.458 -6.088 202 HG2 PRO 27 HG2 PRO 27 60.768 -5.919 -5.519 203 HG3 PRO 27 HG1 PRO 27 59.237 -6.388 -6.276 204 HD2 PRO 27 HD2 PRO 27 59.753 -5.493 -3.481 205 HD3 PRO 27 HD1 PRO 27 58.280 -5.338 -4.464 206 HA PRO 28 HA PRO 28 59.269 -12.265 -2.295 207 HB2 PRO 28 HB2 PRO 28 61.577 -12.754 -4.157 208 HB3 PRO 28 HB1 PRO 28 60.393 -13.907 -3.509 209 HG2 PRO 28 HG2 PRO 28 60.212 -12.918 -5.994 210 HG3 PRO 28 HG1 PRO 28 58.784 -13.311 -5.023 211 HD2 PRO 28 HD2 PRO 28 59.803 -10.663 -5.832 212 HD3 PRO 28 HD1 PRO 28 58.189 -11.114 -5.239 213 H LYS 29 HN LYS 29 60.975 -13.029 -0.786 214 HA LYS 29 HA LYS 29 62.378 -10.954 0.502 215 HB2 LYS 29 HB2 LYS 29 63.776 -12.911 1.468 216 HB3 LYS 29 HB1 LYS 29 62.037 -12.920 1.767 217 HG2 LYS 29 HG2 LYS 29 61.655 -14.521 0.025 218 HG3 LYS 29 HG1 LYS 29 63.303 -14.350 -0.581 219 HD2 LYS 29 HD2 LYS 29 64.228 -15.458 1.301 220 HD3 LYS 29 HD1 LYS 29 62.741 -15.288 2.234 221 HE2 LYS 29 HE2 LYS 29 61.595 -16.889 0.867 222 HE3 LYS 29 HE1 LYS 29 62.896 -16.897 -0.324 223 HZ1 LYS 29 HZ1 LYS 29 62.629 -18.505 1.940 224 HZ2 LYS 29 HZ2 LYS 29 63.971 -17.495 2.196 225 HZ3 LYS 29 HZ3 LYS 29 63.901 -18.485 0.817 226 H1U RCY 30 H1U RCY 30 69.937 -4.005 0.281 227 H1S RCY 30 H1S RCY 30 67.507 -7.782 -0.510 228 HB1 RCY 30 HB1 RCY 30 66.167 -9.321 -0.417 229 HB2 RCY 30 HB2 RCY 30 65.862 -9.748 -2.100 230 HA RCY 30 HA RCY 30 66.342 -12.039 -1.722 231 HN1 RCY 30 HN1 RCY 30 65.009 -11.669 0.851 232 H LYS 31 HN LYS 31 68.691 -12.168 -1.441 233 HA LYS 31 HA LYS 31 69.695 -12.090 1.344 234 HB2 LYS 31 HB2 LYS 31 70.701 -14.433 0.917 235 HB3 LYS 31 HB1 LYS 31 68.983 -14.350 1.303 236 HG2 LYS 31 HG2 LYS 31 68.334 -14.947 -0.816 237 HG3 LYS 31 HG1 LYS 31 69.703 -14.135 -1.576 238 HD2 LYS 31 HD2 LYS 31 71.196 -15.922 -0.999 239 HD3 LYS 31 HD1 LYS 31 69.995 -16.667 0.056 240 HE2 LYS 31 HE2 LYS 31 69.807 -16.385 -2.957 241 HE3 LYS 31 HE1 LYS 31 70.073 -17.881 -2.062 242 HZ1 LYS 31 HZ1 LYS 31 67.636 -16.274 -2.319 243 HZ2 LYS 31 HZ2 LYS 31 67.885 -17.136 -0.876 244 HZ3 LYS 31 HZ3 LYS 31 67.828 -17.959 -2.361 245 H GLN 32 HN GLN 32 71.765 -14.017 -0.314 246 HA GLN 32 HA GLN 32 73.049 -11.980 -1.989 247 HB2 GLN 32 HB2 GLN 32 74.274 -12.896 0.629 248 HB3 GLN 32 HB1 GLN 32 75.205 -12.130 -0.658 249 HG2 GLN 32 HG2 GLN 32 73.461 -10.237 -0.557 250 HG3 GLN 32 HG1 GLN 32 72.957 -10.948 0.977 251 HE21 GLN 32 HE21 GLN 32 75.250 -8.843 -0.479 252 HE22 GLN 32 HE22 GLN 32 76.292 -8.688 0.852 253 H ARG 33 HN ARG 33 75.225 -12.936 -2.824 254 HA ARG 33 HA ARG 33 74.677 -15.644 -3.757 255 HE ARG 33 HE ARG 33 74.616 -11.477 -6.792 256 HB2 ARG 33 HB2 ARG 33 76.818 -13.593 -4.239 257 HB3 ARG 33 HB1 ARG 33 77.134 -15.269 -4.687 258 HG2 ARG 33 HG2 ARG 33 76.177 -14.094 -6.601 259 HG3 ARG 33 HG1 ARG 33 75.013 -15.277 -6.004 260 HD2 ARG 33 HD2 ARG 33 73.542 -13.677 -5.324 261 HD3 ARG 33 HD1 ARG 33 74.822 -12.610 -4.747 262 HH11 ARG 33 HH21 ARG 33 73.735 -14.796 -7.094 263 HH12 ARG 33 HH22 ARG 33 73.337 -14.676 -8.775 264 HH21 ARG 33 HH11 ARG 33 74.101 -11.300 -8.986 265 HH22 ARG 33 HH12 ARG 33 73.544 -12.696 -9.846 266 H GLN 34 HN GLN 34 75.341 -14.970 -0.814 267 HA GLN 34 HA GLN 34 76.537 -15.979 0.934 268 HB2 GLN 34 HB2 GLN 34 77.052 -18.258 -0.981 269 HB3 GLN 34 HB1 GLN 34 76.826 -18.325 0.767 270 HG2 GLN 34 HG2 GLN 34 74.710 -18.972 0.122 271 HG3 GLN 34 HG1 GLN 34 74.469 -17.224 0.107 272 HE21 GLN 34 HE21 GLN 34 73.155 -16.851 -1.705 273 HE22 GLN 34 HE22 GLN 34 73.486 -17.429 -3.266 274 H THR 35 HN THR 35 77.999 -14.292 -1.004 275 HA THR 35 HA THR 35 80.598 -15.557 -1.416 276 HB THR 35 HB THR 35 81.284 -13.195 -2.037 277 HG1 THR 35 HG1 THR 35 79.223 -11.908 -2.351 278 HG21 THR 35 HG21 THR 35 79.691 -13.120 -4.033 279 HG22 THR 35 HG22 THR 35 78.890 -14.520 -3.321 280 HG23 THR 35 HG23 THR 35 80.580 -14.626 -3.811 281 H ARG 36 HN ARG 36 80.624 -12.360 -0.074 282 HA ARG 36 HA ARG 36 81.022 -13.028 2.677 283 HE ARG 36 HE ARG 36 86.175 -12.634 2.794 284 HB2 ARG 36 HB2 ARG 36 83.183 -13.803 1.101 285 HB3 ARG 36 HB1 ARG 36 83.687 -12.235 1.730 286 HG2 ARG 36 HG2 ARG 36 83.168 -12.984 4.024 287 HG3 ARG 36 HG1 ARG 36 82.662 -14.554 3.398 288 HD2 ARG 36 HD2 ARG 36 84.892 -14.931 4.058 289 HD3 ARG 36 HD1 ARG 36 85.024 -14.645 2.322 290 HH11 ARG 36 HH21 ARG 36 84.534 -13.891 5.553 291 HH12 ARG 36 HH22 ARG 36 85.238 -12.755 6.655 292 HH21 ARG 36 HH11 ARG 36 87.104 -11.144 4.217 293 HH22 ARG 36 HH12 ARG 36 86.693 -11.200 5.898 294 H GLN 37 HN GLN 37 81.887 -10.870 0.014 295 HA GLN 37 HA GLN 37 80.729 -8.572 1.270 296 HB2 GLN 37 HB2 GLN 37 82.808 -7.294 1.735 297 HB3 GLN 37 HB1 GLN 37 82.672 -8.714 2.770 298 HG2 GLN 37 HG2 GLN 37 84.135 -9.970 1.199 299 HG3 GLN 37 HG1 GLN 37 84.321 -8.505 0.234 300 HE21 GLN 37 HE21 GLN 37 84.131 -8.392 3.772 301 HE22 GLN 37 HE22 GLN 37 85.747 -7.933 4.019 302 H1U RCY 38 H1U RCY 38 79.832 -1.854 -4.222 303 H1S RCY 38 H1S RCY 38 81.542 -5.734 -5.417 304 HB1 RCY 38 HB1 RCY 38 81.550 -6.761 -3.019 305 HB2 RCY 38 HB2 RCY 38 80.278 -7.936 -2.688 306 HA RCY 38 HA RCY 38 82.126 -9.646 -3.570 307 HN1 RCY 38 HN1 RCY 38 82.089 -10.199 -1.281 308 H LYS 39 HN LYS 39 84.270 -9.793 -4.077 309 HA LYS 39 HA LYS 39 85.871 -7.316 -4.032 310 HB2 LYS 39 HB2 LYS 39 87.801 -8.510 -2.944 311 HB3 LYS 39 HB1 LYS 39 86.441 -8.229 -1.859 312 HG2 LYS 39 HG2 LYS 39 86.393 -10.779 -3.387 313 HG3 LYS 39 HG1 LYS 39 87.619 -10.649 -2.125 314 HD2 LYS 39 HD2 LYS 39 85.895 -10.060 -0.481 315 HD3 LYS 39 HD1 LYS 39 84.656 -10.129 -1.734 316 HE2 LYS 39 HE2 LYS 39 84.679 -12.226 -0.457 317 HE3 LYS 39 HE1 LYS 39 85.198 -12.519 -2.117 318 HZ1 LYS 39 HZ1 LYS 39 87.242 -13.077 -1.459 319 HZ2 LYS 39 HZ2 LYS 39 86.557 -13.274 0.083 320 HZ3 LYS 39 HZ3 LYS 39 87.340 -11.822 -0.322 321 H SER 40 HN SER 40 84.708 -9.042 -6.081 322 HA SER 40 HA SER 40 86.337 -10.913 -7.296 323 HG SER 40 HG SER 40 83.401 -10.065 -7.664 324 HB2 SER 40 HB2 SER 40 84.761 -8.665 -8.565 325 HB3 SER 40 HB1 SER 40 85.523 -9.947 -9.502 326 H LYS 41 HN LYS 41 86.477 -7.601 -8.606 327 HA LYS 41 HA LYS 41 89.146 -7.969 -9.576 328 HB2 LYS 41 HB2 LYS 41 87.619 -5.397 -9.080 329 HB3 LYS 41 HB1 LYS 41 89.076 -5.546 -10.062 330 HG2 LYS 41 HG2 LYS 41 87.974 -6.880 -11.691 331 HG3 LYS 41 HG1 LYS 41 86.604 -7.190 -10.623 332 HD2 LYS 41 HD2 LYS 41 85.924 -4.852 -10.744 333 HD3 LYS 41 HD1 LYS 41 87.348 -4.458 -11.708 334 HE2 LYS 41 HE2 LYS 41 86.568 -5.728 -13.567 335 HE3 LYS 41 HE1 LYS 41 85.330 -6.526 -12.597 336 HZ1 LYS 41 HZ1 LYS 41 83.937 -4.821 -12.846 337 HZ2 LYS 41 HZ2 LYS 41 84.946 -4.327 -14.121 338 HZ3 LYS 41 HZ3 LYS 41 85.142 -3.658 -12.571 339 HA PRO 42 HA PRO 42 91.612 -7.043 -6.012 340 HB2 PRO 42 HB2 PRO 42 93.417 -5.356 -7.627 341 HB3 PRO 42 HB1 PRO 42 93.747 -6.903 -6.827 342 HG2 PRO 42 HG2 PRO 42 93.558 -6.640 -9.504 343 HG3 PRO 42 HG1 PRO 42 93.131 -8.126 -8.641 344 HD2 PRO 42 HD2 PRO 42 91.327 -6.050 -9.825 345 HD3 PRO 42 HD1 PRO 42 91.092 -7.808 -9.692 346 HA PRO 43 HA PRO 43 90.596 -2.996 -4.525 347 HB2 PRO 43 HB2 PRO 43 92.658 -2.428 -2.821 348 HB3 PRO 43 HB1 PRO 43 91.414 -3.642 -2.463 349 HG2 PRO 43 HG2 PRO 43 94.190 -4.021 -3.461 350 HG3 PRO 43 HG1 PRO 43 93.268 -4.980 -2.291 351 HD2 PRO 43 HD2 PRO 43 93.619 -5.728 -4.915 352 HD3 PRO 43 HD1 PRO 43 92.224 -6.224 -3.932 353 H LYS 44 HN LYS 44 90.711 -1.100 -5.646 354 HA LYS 44 HA LYS 44 93.404 -0.048 -6.411 355 HB2 LYS 44 HB2 LYS 44 91.059 -0.667 -8.145 356 HB3 LYS 44 HB1 LYS 44 91.898 0.848 -8.478 357 HG2 LYS 44 HG2 LYS 44 93.500 -1.664 -8.090 358 HG3 LYS 44 HG1 LYS 44 92.710 -1.373 -9.640 359 HD2 LYS 44 HD2 LYS 44 93.811 0.881 -9.710 360 HD3 LYS 44 HD1 LYS 44 94.703 0.441 -8.254 361 HE2 LYS 44 HE2 LYS 44 94.782 -1.075 -10.880 362 HE3 LYS 44 HE1 LYS 44 96.041 0.011 -10.291 363 HZ1 LYS 44 HZ1 LYS 44 95.152 -2.552 -9.100 364 HZ2 LYS 44 HZ2 LYS 44 96.131 -1.441 -8.268 365 HZ3 LYS 44 HZ3 LYS 44 96.690 -2.162 -9.701 366 H LYS 45 HN LYS 45 89.949 0.874 -6.509 367 HA LYS 45 HA LYS 45 88.869 2.662 -5.434 368 HB2 LYS 45 HB2 LYS 45 89.842 3.694 -3.650 369 HB3 LYS 45 HB1 LYS 45 91.055 2.440 -3.838 370 HG2 LYS 45 HG2 LYS 45 92.481 4.246 -3.920 371 HG3 LYS 45 HG1 LYS 45 92.010 4.245 -5.620 372 HD2 LYS 45 HD2 LYS 45 90.394 5.962 -5.279 373 HD3 LYS 45 HD1 LYS 45 90.467 5.785 -3.526 374 HE2 LYS 45 HE2 LYS 45 92.829 6.655 -5.210 375 HE3 LYS 45 HE1 LYS 45 91.724 7.787 -4.430 376 HZ1 LYS 45 HZ1 LYS 45 92.502 5.866 -2.549 377 HZ2 LYS 45 HZ2 LYS 45 92.833 7.532 -2.552 378 HZ3 LYS 45 HZ3 LYS 45 93.904 6.449 -3.304 379 H GLY 46 HN GLY 46 88.243 4.650 -6.271 380 HA2 GLY 46 HA2 GLY 46 89.103 6.767 -7.437 381 HA3 GLY 46 HA1 GLY 46 89.915 5.655 -8.541 382 H VAL 47 HN VAL 47 87.423 7.649 -8.579 383 HA VAL 47 HA VAL 47 85.279 5.904 -9.512 384 HB VAL 47 HB VAL 47 85.445 8.859 -10.084 385 HG11 VAL 47 HG11 VAL 47 83.019 8.708 -9.755 386 HG12 VAL 47 HG12 VAL 47 83.170 7.012 -9.295 387 HG13 VAL 47 HG13 VAL 47 83.539 7.515 -10.945 388 HG21 VAL 47 HG21 VAL 47 84.881 7.499 -7.434 389 HG22 VAL 47 HG22 VAL 47 84.401 9.158 -7.790 390 HG23 VAL 47 HG23 VAL 47 86.109 8.719 -7.771 391 H GLN 48 HN GLN 48 87.831 5.606 -10.894 392 HA GLN 48 HA GLN 48 88.112 6.877 -13.349 393 HB2 GLN 48 HB2 GLN 48 89.650 5.122 -12.614 394 HB3 GLN 48 HB1 GLN 48 88.379 3.910 -12.779 395 HG2 GLN 48 HG2 GLN 48 88.296 4.189 -15.157 396 HG3 GLN 48 HG1 GLN 48 89.306 5.633 -15.086 397 HE21 GLN 48 HE21 GLN 48 90.751 4.369 -16.635 398 HE22 GLN 48 HE22 GLN 48 91.853 3.258 -15.978 399 H GLY 49 HN GLY 49 86.064 3.997 -12.750 400 HA2 GLY 49 HA2 GLY 49 84.087 5.009 -14.677 401 HA3 GLY 49 HA1 GLY 49 84.904 3.523 -15.166 402 H1U RCY 50 H1U RCY 50 81.519 -4.114 -9.888 403 H1S RCY 50 H1S RCY 50 82.148 0.435 -10.717 404 HB1 RCY 50 HB1 RCY 50 80.837 3.160 -13.320 405 HB2 RCY 50 HB2 RCY 50 80.032 2.659 -11.835 406 HA RCY 50 HA RCY 50 81.685 3.907 -10.856 407 HN1 RCY 50 HN1 RCY 50 83.178 4.903 -12.358 408 H GLY 51 HN GLY 51 82.107 2.665 -9.087 409 HA2 GLY 51 HA2 GLY 51 82.868 0.048 -8.838 410 HA3 GLY 51 HA1 GLY 51 84.405 0.849 -9.168 411 H ASP 52 HN ASP 52 84.672 -0.132 -6.848 412 HA ASP 52 HA ASP 52 84.781 2.024 -4.984 413 HB2 ASP 52 HB2 ASP 52 82.308 0.374 -4.974 414 HB3 ASP 52 HB1 ASP 52 83.047 0.642 -3.396 415 H ASP 53 HN ASP 53 86.754 1.338 -4.238 416 HA ASP 53 HA ASP 53 87.606 -1.354 -4.003 417 HB2 ASP 53 HB2 ASP 53 88.508 1.267 -2.906 418 HB3 ASP 53 HB1 ASP 53 89.096 -0.173 -2.075 419 H ILE 54 HN ILE 54 86.514 0.809 -1.355 420 HA ILE 54 HA ILE 54 86.452 -1.013 0.734 421 HB ILE 54 HB ILE 54 84.475 0.295 1.604 422 HG12 ILE 54 HG12 ILE 54 84.501 2.400 -0.303 423 HG13 ILE 54 HG11 ILE 54 84.262 0.901 -1.202 424 HG21 ILE 54 HG21 ILE 54 86.829 1.819 0.452 425 HG22 ILE 54 HG22 ILE 54 86.729 1.085 2.053 426 HG23 ILE 54 HG23 ILE 54 85.718 2.474 1.655 427 HD11 ILE 54 HD11 ILE 54 82.611 1.932 1.118 428 HD12 ILE 54 HD12 ILE 54 82.463 0.296 0.475 429 HD13 ILE 54 HD13 ILE 54 82.081 1.683 -0.546 430 HA PRO 55 HA PRO 55 83.460 -3.845 -1.182 431 HB2 PRO 55 HB2 PRO 55 84.096 -6.048 0.259 432 HB3 PRO 55 HB1 PRO 55 85.124 -5.457 -1.060 433 HG2 PRO 55 HG2 PRO 55 85.470 -5.153 1.877 434 HG3 PRO 55 HG1 PRO 55 86.684 -5.436 0.619 435 HD2 PRO 55 HD2 PRO 55 86.143 -2.954 1.754 436 HD3 PRO 55 HD1 PRO 55 86.920 -3.194 0.174 437 H GLY 56 HN GLY 56 82.342 -2.038 0.561 438 HA2 GLY 56 HA2 GLY 56 80.433 -1.866 1.926 439 HA3 GLY 56 HA1 GLY 56 80.298 -3.624 1.863 440 H MET 57 HN MET 57 83.266 -2.106 2.885 441 HA MET 57 HA MET 57 84.384 -2.092 4.935 442 HB2 MET 57 HB2 MET 57 81.510 -1.927 5.840 443 HB3 MET 57 HB1 MET 57 82.817 -2.062 7.011 444 HG2 MET 57 HG2 MET 57 83.871 -0.052 6.151 445 HG3 MET 57 HG1 MET 57 82.696 0.048 4.839 446 HE1 MET 57 HE1 MET 57 80.421 0.566 4.935 447 HE2 MET 57 HE2 MET 57 81.190 2.142 5.110 448 HE3 MET 57 HE3 MET 57 79.766 1.752 6.072 449 H GLU 58 HN GLU 58 81.667 -4.417 4.915 450 HA GLU 58 HA GLU 58 83.387 -6.680 5.204 451 HB2 GLU 58 HB2 GLU 58 82.580 -7.267 7.582 452 HB3 GLU 58 HB1 GLU 58 83.839 -6.040 7.446 453 HG2 GLU 58 HG2 GLU 58 82.287 -4.263 7.785 454 HG3 GLU 58 HG1 GLU 58 80.903 -5.328 7.539 455 H GLY 59 HN GLY 59 80.902 -5.649 3.870 456 HA2 GLY 59 HA2 GLY 59 78.875 -6.557 3.118 457 HA3 GLY 59 HA1 GLY 59 79.457 -8.104 3.734 458 H1U RCY 60 H1U RCY 60 75.536 2.357 5.503 459 H1S RCY 60 H1S RCY 60 76.471 -1.263 7.079 460 HB1 RCY 60 HB1 RCY 60 77.923 -3.708 6.797 461 HB2 RCY 60 HB2 RCY 60 77.173 -4.235 8.300 462 HA RCY 60 HA RCY 60 77.255 -6.337 7.468 463 HN1 RCY 60 HN1 RCY 60 78.323 -4.995 5.119 464 H GLY 61 HN GLY 61 76.289 -6.819 4.549 465 HA2 GLY 61 HA2 GLY 61 73.810 -6.122 3.821 466 HA3 GLY 61 HA1 GLY 61 74.228 -7.832 3.882 467 H THR 62 HN THR 62 74.438 -8.029 6.754 468 HA THR 62 HA THR 62 71.927 -8.828 7.552 469 HB THR 62 HB THR 62 72.705 -8.811 9.756 470 HG1 THR 62 HG1 THR 62 74.591 -7.051 9.947 471 HG21 THR 62 HG21 THR 62 75.314 -8.377 8.295 472 HG22 THR 62 HG22 THR 62 74.350 -9.838 8.083 473 HG23 THR 62 HG23 THR 62 75.001 -9.434 9.671 474 H ASP 63 HN ASP 63 73.133 -5.508 7.492 475 HA ASP 63 HA ASP 63 70.873 -4.353 8.873 476 HB2 ASP 63 HB2 ASP 63 73.105 -3.234 8.595 477 HB3 ASP 63 HB1 ASP 63 72.731 -3.017 6.884 478 H ILE 64 HN ILE 64 70.693 -6.094 6.207 479 HA ILE 64 HA ILE 64 69.096 -4.229 4.554 480 HB ILE 64 HB ILE 64 70.613 -5.821 3.426 481 HG12 ILE 64 HG12 ILE 64 67.714 -6.587 2.972 482 HG13 ILE 64 HG11 ILE 64 68.432 -5.088 2.381 483 HG21 ILE 64 HG21 ILE 64 70.693 -8.027 3.943 484 HG22 ILE 64 HG22 ILE 64 68.936 -8.172 3.962 485 HG23 ILE 64 HG23 ILE 64 69.787 -7.581 5.389 486 HD11 ILE 64 HD11 ILE 64 70.220 -6.576 1.283 487 HD12 ILE 64 HD12 ILE 64 68.612 -6.602 0.560 488 HD13 ILE 64 HD13 ILE 64 69.129 -7.923 1.607 489 H THR 65 HN THR 65 68.644 -6.658 6.973 490 HA THR 65 HA THR 65 66.693 -7.756 7.735 491 HB THR 65 HB THR 65 65.062 -6.247 8.410 492 HG1 THR 65 HG1 THR 65 64.474 -5.928 6.123 493 HG21 THR 65 HG21 THR 65 67.106 -4.238 7.451 494 HG22 THR 65 HG22 THR 65 67.403 -5.310 8.820 495 HG23 THR 65 HG23 THR 65 66.081 -4.144 8.884 496 H VAL 66 HN VAL 66 67.482 -7.908 4.875 497 HA VAL 66 HA VAL 66 66.662 -9.010 2.980 498 HB VAL 66 HB VAL 66 63.914 -9.049 4.237 499 HG11 VAL 66 HG11 VAL 66 65.362 -11.062 2.494 500 HG12 VAL 66 HG12 VAL 66 64.310 -9.798 1.856 501 HG13 VAL 66 HG13 VAL 66 63.647 -11.049 2.908 502 HG21 VAL 66 HG21 VAL 66 66.377 -10.601 4.974 503 HG22 VAL 66 HG22 VAL 66 64.809 -11.406 5.033 504 HG23 VAL 66 HG23 VAL 66 65.102 -9.973 6.018 505 H ILE 67 HN ILE 67 64.735 -6.458 4.436 506 HA ILE 67 HA ILE 67 64.508 -5.173 1.762 507 HB ILE 67 HB ILE 67 62.209 -5.308 3.740 508 HG12 ILE 67 HG12 ILE 67 62.753 -7.511 2.635 509 HG13 ILE 67 HG11 ILE 67 61.158 -6.879 2.224 510 HG21 ILE 67 HG21 ILE 67 60.932 -4.351 1.847 511 HG22 ILE 67 HG22 ILE 67 62.409 -4.298 0.885 512 HG23 ILE 67 HG23 ILE 67 62.258 -3.292 2.326 513 HD11 ILE 67 HD11 ILE 67 61.713 -6.925 0.046 514 HD12 ILE 67 HD12 ILE 67 63.325 -7.510 0.457 515 HD13 ILE 67 HD13 ILE 67 63.013 -5.776 0.365 516 H1U RCY 68 H1U RCY 68 73.030 0.332 2.362 517 H1S RCY 68 H1S RCY 68 69.093 -1.365 0.531 518 HB1 RCY 68 HB1 RCY 68 67.791 -2.385 4.549 519 HB2 RCY 68 HB2 RCY 68 67.645 -0.789 3.816 520 HA RCY 68 HA RCY 68 65.505 -2.004 4.776 521 HN1 RCY 68 HN1 RCY 68 65.886 -3.464 2.205 522 HA PRO 69 HA PRO 69 63.297 1.495 3.288 523 HB2 PRO 69 HB2 PRO 69 65.832 3.022 3.809 524 HB3 PRO 69 HB1 PRO 69 64.162 3.435 4.247 525 HG2 PRO 69 HG2 PRO 69 65.907 2.381 6.005 526 HG3 PRO 69 HG1 PRO 69 64.165 2.076 6.080 527 HD2 PRO 69 HD2 PRO 69 66.329 0.210 5.403 528 HD3 PRO 69 HD1 PRO 69 64.634 -0.140 5.802 529 H TRP 70 HN TRP 70 66.607 1.045 2.090 530 HA TRP 70 HA TRP 70 66.118 2.666 -0.299 531 HD1 TRP 70 HD1 TRP 70 67.443 3.322 -2.272 532 HE1 TRP 70 HE1 TRP 70 68.679 5.583 -2.330 533 HE3 TRP 70 HE3 TRP 70 70.078 2.998 2.089 534 HZ2 TRP 70 HZ2 TRP 70 70.542 7.062 -0.735 535 HZ3 TRP 70 HZ3 TRP 70 71.572 4.841 2.795 536 HH2 TRP 70 HH2 TRP 70 71.809 6.870 1.393 537 HB2 TRP 70 HB2 TRP 70 68.402 1.515 1.020 538 HB3 TRP 70 HB1 TRP 70 68.398 0.978 -0.659 539 H GLU 71 HN GLU 71 66.188 -0.786 0.526 540 HA GLU 71 HA GLU 71 66.131 -1.945 -2.014 541 HB2 GLU 71 HB2 GLU 71 64.864 -2.664 0.606 542 HB3 GLU 71 HB1 GLU 71 64.372 -3.565 -0.825 543 HG2 GLU 71 HG2 GLU 71 67.298 -3.135 -0.329 544 HG3 GLU 71 HG1 GLU 71 66.450 -4.367 0.605 545 H ALA 72 HN ALA 72 63.381 -0.546 -0.218 546 HA ALA 72 HA ALA 72 61.387 -1.108 -2.172 547 HB1 ALA 72 HB1 ALA 72 60.789 -0.338 0.069 548 HB2 ALA 72 HB2 ALA 72 60.144 0.790 -1.123 549 HB3 ALA 72 HB3 ALA 72 61.599 1.203 -0.215 550 H1U RCY 73 H1U RCY 73 65.863 -2.740 -2.860 551 H1S RCY 73 H1S RCY 73 65.898 0.192 -6.480 552 HB1 RCY 73 HB1 RCY 73 61.632 1.140 -7.190 553 HB2 RCY 73 HB2 RCY 73 61.740 -0.413 -6.368 554 HA RCY 73 HA RCY 73 63.534 1.569 -5.188 555 HN1 RCY 73 HN1 RCY 73 62.103 -0.649 -4.275 556 H ASN 74 HN ASN 74 62.927 3.471 -4.075 557 HA ASN 74 HA ASN 74 60.179 4.502 -4.663 558 HB2 ASN 74 HB2 ASN 74 60.939 4.206 -2.234 559 HB3 ASN 74 HB1 ASN 74 62.056 5.538 -2.532 560 HD21 ASN 74 HD21 ASN 74 60.556 7.282 -4.090 561 HD22 ASN 74 HD22 ASN 74 59.177 7.792 -3.242 562 H HIS 75 HN HIS 75 63.145 6.234 -3.724 563 HA HIS 75 HA HIS 75 63.786 7.289 -6.291 564 HD1 HIS 75 HD1 HIS 75 59.699 8.564 -6.438 565 HD2 HIS 75 HD2 HIS 75 63.391 8.503 -8.378 566 HE1 HIS 75 HE1 HIS 75 59.204 8.317 -8.909 567 HE2 HIS 75 HE2 HIS 75 61.443 8.278 -10.102 568 HB2 HIS 75 HB2 HIS 75 61.586 8.639 -4.812 569 HB3 HIS 75 HB1 HIS 75 62.825 9.706 -5.470 570 H1U RCY 76 H1U RCY 76 72.280 2.327 -3.984 571 H1S RCY 76 H1S RCY 76 68.513 5.031 -4.786 572 HB1 RCY 76 HB1 RCY 76 67.647 6.500 -3.639 573 HB2 RCY 76 HB2 RCY 76 68.846 7.773 -3.419 574 HA RCY 76 HA RCY 76 66.632 8.726 -3.134 575 HN1 RCY 76 HN1 RCY 76 65.945 7.397 -5.709 576 H GLU 77 HN GLU 77 69.356 9.310 -4.243 577 HA GLU 77 HA GLU 77 68.798 12.014 -5.109 578 HB2 GLU 77 HB2 GLU 77 70.904 10.891 -3.867 579 HB3 GLU 77 HB1 GLU 77 71.515 10.851 -5.519 580 HG2 GLU 77 HG2 GLU 77 72.215 12.958 -4.687 581 HG3 GLU 77 HG1 GLU 77 70.788 13.323 -5.658 582 H LEU 78 HN LEU 78 70.947 12.236 -7.069 583 HA LEU 78 HA LEU 78 71.113 12.288 -9.403 584 HG LEU 78 HG LEU 78 72.641 9.039 -9.662 585 HB2 LEU 78 HB2 LEU 78 70.404 9.442 -8.753 586 HB3 LEU 78 HB1 LEU 78 70.450 9.942 -10.442 587 HD11 LEU 78 HD11 LEU 78 73.789 10.533 -10.957 588 HD12 LEU 78 HD12 LEU 78 73.222 11.923 -10.032 589 HD13 LEU 78 HD13 LEU 78 72.180 11.193 -11.253 590 HD21 LEU 78 HD21 LEU 78 72.634 11.488 -7.869 591 HD22 LEU 78 HD22 LEU 78 73.946 10.321 -8.034 592 HD23 LEU 78 HD23 LEU 78 72.416 9.831 -7.307 593 H HIS 79 HN HIS 79 69.703 11.774 -11.493 594 HA HIS 79 HA HIS 79 66.806 11.858 -10.957 595 HD1 HIS 79 HD1 HIS 79 64.676 13.570 -12.060 596 HD2 HIS 79 HD2 HIS 79 67.831 14.916 -14.434 597 HE1 HIS 79 HE1 HIS 79 63.656 14.295 -14.262 598 HE2 HIS 79 HE2 HIS 79 65.565 15.116 -15.716 599 HB2 HIS 79 HB2 HIS 79 67.007 14.163 -10.758 600 HB3 HIS 79 HB1 HIS 79 68.422 14.233 -11.806 601 H GLU 80 HN GLU 80 69.512 11.384 -13.033 602 HA GLU 80 HA GLU 80 67.931 11.168 -15.488 603 HB2 GLU 80 HB2 GLU 80 70.037 10.307 -16.477 604 HB3 GLU 80 HB1 GLU 80 70.288 11.827 -15.621 605 HG2 GLU 80 HG2 GLU 80 70.823 10.269 -13.574 606 HG3 GLU 80 HG1 GLU 80 71.105 9.049 -14.817 607 H LEU 81 HN LEU 81 69.745 8.805 -13.490 608 HA LEU 81 HA LEU 81 68.040 6.651 -14.642 609 HG LEU 81 HG LEU 81 69.951 5.725 -11.700 610 HB2 LEU 81 HB2 LEU 81 69.737 5.128 -14.061 611 HB3 LEU 81 HB1 LEU 81 70.643 6.561 -14.535 612 HD11 LEU 81 HD11 LEU 81 71.834 4.520 -12.886 613 HD12 LEU 81 HD12 LEU 81 72.324 5.392 -11.434 614 HD13 LEU 81 HD13 LEU 81 72.652 6.076 -13.026 615 HD21 LEU 81 HD21 LEU 81 71.364 7.716 -11.088 616 HD22 LEU 81 HD22 LEU 81 69.843 8.145 -11.870 617 HD23 LEU 81 HD23 LEU 81 71.348 8.188 -12.787 618 H ALA 82 HN ALA 82 67.402 8.700 -12.424 619 HA ALA 82 HA ALA 82 67.226 7.321 -9.932 620 HB1 ALA 82 HB1 ALA 82 66.956 9.674 -9.884 621 HB2 ALA 82 HB2 ALA 82 65.363 9.030 -9.488 622 HB3 ALA 82 HB3 ALA 82 65.691 9.636 -11.113 623 H GLN 83 HN GLN 83 64.700 7.789 -12.439 624 HA GLN 83 HA GLN 83 62.502 6.582 -11.403 625 HB2 GLN 83 HB2 GLN 83 63.714 6.598 -14.091 626 HB3 GLN 83 HB1 GLN 83 62.587 5.270 -13.829 627 HG2 GLN 83 HG2 GLN 83 61.921 8.140 -13.138 628 HG3 GLN 83 HG1 GLN 83 61.547 7.423 -14.706 629 HE21 GLN 83 HE21 GLN 83 61.385 4.963 -12.420 630 HE22 GLN 83 HE22 GLN 83 59.718 5.009 -12.104 631 H TYR 84 HN TYR 84 62.703 4.991 -9.865 632 HA TYR 84 HA TYR 84 62.955 2.843 -8.991 633 HD1 TYR 84 HD2 TYR 84 60.986 2.301 -8.950 634 HD2 TYR 84 HD1 TYR 84 61.354 2.119 -13.225 635 HE1 TYR 84 HE2 TYR 84 58.549 2.701 -9.176 636 HE2 TYR 84 HE1 TYR 84 58.917 2.518 -13.452 637 HH TYR 84 HH TYR 84 56.759 2.155 -10.990 638 HB2 TYR 84 HB2 TYR 84 63.286 2.036 -11.898 639 HB3 TYR 84 HB1 TYR 84 62.980 0.946 -10.553 640 H GLY 85 HN GLY 85 65.329 3.638 -11.521 641 HA2 GLY 85 HA2 GLY 85 67.692 3.728 -11.152 642 HA3 GLY 85 HA1 GLY 85 67.462 2.867 -9.630 643 H ILE 86 HN ILE 86 67.941 2.516 -13.067 644 HA ILE 86 HA ILE 86 67.380 -0.187 -13.507 645 HB ILE 86 HB ILE 86 68.199 1.217 -15.317 646 HG12 ILE 86 HG12 ILE 86 70.383 -0.811 -14.807 647 HG13 ILE 86 HG11 ILE 86 68.745 -1.297 -15.244 648 HG21 ILE 86 HG21 ILE 86 71.020 1.243 -14.577 649 HG22 ILE 86 HG22 ILE 86 70.028 2.109 -13.404 650 HG23 ILE 86 HG23 ILE 86 69.992 2.575 -15.105 651 HD11 ILE 86 HD11 ILE 86 70.223 0.747 -16.889 652 HD12 ILE 86 HD12 ILE 86 68.874 -0.285 -17.363 653 HD13 ILE 86 HD13 ILE 86 70.483 -0.977 -17.155 654 H1U RCY 87 H1U RCY 87 72.124 0.054 -4.960 655 H1S RCY 87 H1S RCY 87 73.083 0.721 -9.254 656 HB1 RCY 87 HB1 RCY 87 72.951 0.552 -12.450 657 HB2 RCY 87 HB2 RCY 87 73.111 -1.152 -12.872 658 HA RCY 87 HA RCY 87 71.260 -1.779 -11.581 659 HN1 RCY 87 HN1 RCY 87 70.773 0.770 -12.946 Start of MODEL 95 1 HA MET 1 HA MET 1 67.509 -18.553 3.471 2 HB2 MET 1 HB2 MET 1 66.960 -16.312 4.475 3 HB3 MET 1 HB1 MET 1 68.484 -16.335 3.588 4 HG2 MET 1 HG2 MET 1 67.279 -15.440 1.586 5 HG3 MET 1 HG1 MET 1 65.821 -15.305 2.569 6 HE1 MET 1 HE1 MET 1 67.111 -11.654 2.008 7 HE2 MET 1 HE2 MET 1 65.993 -12.915 1.495 8 HE3 MET 1 HE3 MET 1 67.666 -12.952 0.944 9 H ASN 2 HN ASN 2 65.434 -17.456 4.857 10 HA ASN 2 HA ASN 2 62.977 -17.563 3.245 11 HB2 ASN 2 HB2 ASN 2 62.024 -19.461 4.513 12 HB3 ASN 2 HB1 ASN 2 63.458 -19.954 3.611 13 HD21 ASN 2 HD21 ASN 2 65.540 -19.077 5.242 14 HD22 ASN 2 HD22 ASN 2 65.459 -19.843 6.754 15 H LEU 3 HN LEU 3 61.327 -16.449 4.270 16 HA LEU 3 HA LEU 3 61.128 -16.108 7.113 17 HG LEU 3 HG LEU 3 62.647 -13.004 8.085 18 HB2 LEU 3 HB2 LEU 3 63.181 -14.621 6.230 19 HB3 LEU 3 HB1 LEU 3 61.879 -13.503 5.839 20 HD11 LEU 3 HD11 LEU 3 60.574 -13.062 9.205 21 HD12 LEU 3 HD12 LEU 3 60.137 -14.621 8.505 22 HD13 LEU 3 HD13 LEU 3 60.117 -13.168 7.505 23 HD21 LEU 3 HD21 LEU 3 63.155 -14.586 9.671 24 HD22 LEU 3 HD22 LEU 3 63.372 -15.602 8.246 25 HD23 LEU 3 HD23 LEU 3 61.862 -15.668 9.154 26 H GLU 4 HN GLU 4 59.010 -15.603 7.482 27 HA GLU 4 HA GLU 4 57.135 -15.241 5.407 28 HB2 GLU 4 HB2 GLU 4 56.774 -14.174 8.213 29 HB3 GLU 4 HB1 GLU 4 55.530 -14.776 7.116 30 HG2 GLU 4 HG2 GLU 4 56.694 -17.025 7.188 31 HG3 GLU 4 HG1 GLU 4 57.704 -16.381 8.483 32 HA PRO 5 HA PRO 5 58.137 -11.091 3.991 33 HB2 PRO 5 HB2 PRO 5 55.178 -11.109 3.489 34 HB3 PRO 5 HB1 PRO 5 56.496 -10.585 2.421 35 HG2 PRO 5 HG2 PRO 5 55.291 -12.947 2.109 36 HG3 PRO 5 HG1 PRO 5 57.022 -12.733 1.798 37 HD2 PRO 5 HD2 PRO 5 55.686 -14.160 4.033 38 HD3 PRO 5 HD1 PRO 5 57.321 -14.378 3.372 39 HA PRO 6 HA PRO 6 56.846 -8.667 7.515 40 HB2 PRO 6 HB2 PRO 6 57.523 -6.179 6.650 41 HB3 PRO 6 HB1 PRO 6 58.738 -7.395 7.093 42 HG2 PRO 6 HG2 PRO 6 57.786 -6.586 4.390 43 HG3 PRO 6 HG1 PRO 6 59.428 -6.952 4.946 44 HD2 PRO 6 HD2 PRO 6 57.875 -8.743 3.552 45 HD3 PRO 6 HD1 PRO 6 59.150 -9.232 4.690 46 H LYS 7 HN LYS 7 55.303 -6.915 8.119 47 HA LYS 7 HA LYS 7 52.836 -7.090 6.672 48 HB2 LYS 7 HB2 LYS 7 53.860 -5.609 9.035 49 HB3 LYS 7 HB1 LYS 7 52.500 -4.851 8.208 50 HG2 LYS 7 HG2 LYS 7 51.576 -6.324 9.873 51 HG3 LYS 7 HG1 LYS 7 51.320 -7.093 8.307 52 HD2 LYS 7 HD2 LYS 7 53.721 -8.140 8.873 53 HD3 LYS 7 HD1 LYS 7 53.158 -7.870 10.522 54 HE2 LYS 7 HE2 LYS 7 52.391 -10.048 9.997 55 HE3 LYS 7 HE1 LYS 7 50.975 -9.022 9.770 56 HZ1 LYS 7 HZ1 LYS 7 50.934 -9.456 7.603 57 HZ2 LYS 7 HZ2 LYS 7 52.021 -10.721 7.925 58 HZ3 LYS 7 HZ3 LYS 7 52.603 -9.207 7.421 59 H ALA 8 HN ALA 8 51.847 -4.516 6.446 60 HA ALA 8 HA ALA 8 53.677 -3.241 4.442 61 HB1 ALA 8 HB1 ALA 8 50.660 -3.280 4.236 62 HB2 ALA 8 HB2 ALA 8 51.670 -4.518 3.490 63 HB3 ALA 8 HB3 ALA 8 51.828 -2.834 2.993 64 H GLU 9 HN GLU 9 54.210 -1.230 5.100 65 HA GLU 9 HA GLU 9 52.148 0.578 6.153 66 HB2 GLU 9 HB2 GLU 9 53.681 1.139 8.149 67 HB3 GLU 9 HB1 GLU 9 52.746 -0.353 8.257 68 HG2 GLU 9 HG2 GLU 9 55.541 -0.340 7.119 69 HG3 GLU 9 HG1 GLU 9 55.260 -0.478 8.855 70 H1U RCY 10 H1U RCY 10 54.453 2.287 -2.721 71 H1S RCY 10 H1S RCY 10 55.118 4.211 0.941 72 HB1 RCY 10 HB1 RCY 10 53.943 3.648 2.616 73 HB2 RCY 10 HB2 RCY 10 54.573 2.088 3.145 74 HA RCY 10 HA RCY 10 55.361 3.626 5.230 75 HN1 RCY 10 HN1 RCY 10 52.657 2.697 5.619 76 H ARG 11 HN ARG 11 54.560 5.504 3.097 77 HA ARG 11 HA ARG 11 53.956 7.807 3.351 78 HE ARG 11 HE ARG 11 49.833 3.559 2.507 79 HB2 ARG 11 HB2 ARG 11 51.604 8.025 2.785 80 HB3 ARG 11 HB1 ARG 11 52.279 6.648 1.920 81 HG2 ARG 11 HG2 ARG 11 51.459 5.226 3.917 82 HG3 ARG 11 HG1 ARG 11 50.484 6.632 4.348 83 HD2 ARG 11 HD2 ARG 11 48.942 5.751 2.934 84 HD3 ARG 11 HD1 ARG 11 49.974 6.393 1.656 85 HH11 ARG 11 HH21 ARG 11 51.245 6.082 0.628 86 HH12 ARG 11 HH22 ARG 11 51.993 5.004 -0.502 87 HH21 ARG 11 HH11 ARG 11 50.803 2.136 1.042 88 HH22 ARG 11 HH12 ARG 11 51.743 2.770 -0.268 89 H SER 12 HN SER 12 54.590 6.849 5.948 90 HA SER 12 HA SER 12 53.241 8.795 7.560 91 HG SER 12 HG SER 12 52.858 7.674 9.755 92 HB2 SER 12 HB2 SER 12 51.335 7.335 7.562 93 HB3 SER 12 HB1 SER 12 52.340 5.918 7.848 94 H ALA 13 HN ALA 13 55.881 7.344 6.890 95 HA ALA 13 HA ALA 13 56.745 6.305 9.492 96 HB1 ALA 13 HB1 ALA 13 58.168 6.858 6.880 97 HB2 ALA 13 HB2 ALA 13 57.783 5.292 7.595 98 HB3 ALA 13 HB3 ALA 13 59.023 6.313 8.324 99 H THR 14 HN THR 14 56.501 8.088 10.928 100 HA THR 14 HA THR 14 57.660 10.687 10.322 101 HB THR 14 HB THR 14 56.868 11.355 12.427 102 HG1 THR 14 HG1 THR 14 57.840 10.051 13.834 103 HG21 THR 14 HG21 THR 14 54.654 10.509 12.580 104 HG22 THR 14 HG22 THR 14 55.132 8.929 11.960 105 HG23 THR 14 HG23 THR 14 55.095 10.324 10.882 106 H ARG 15 HN ARG 15 59.392 8.190 10.288 107 HA ARG 15 HA ARG 15 61.579 7.618 10.918 108 HE ARG 15 HE ARG 15 61.867 12.567 10.962 109 HB2 ARG 15 HB2 ARG 15 61.841 10.449 11.941 110 HB3 ARG 15 HB1 ARG 15 63.088 9.421 11.234 111 HG2 ARG 15 HG2 ARG 15 61.759 9.458 9.078 112 HG3 ARG 15 HG1 ARG 15 60.736 10.693 9.812 113 HD2 ARG 15 HD2 ARG 15 63.741 10.901 9.456 114 HD3 ARG 15 HD1 ARG 15 62.539 11.704 8.446 115 HH11 ARG 15 HH21 ARG 15 64.803 12.360 9.167 116 HH12 ARG 15 HH22 ARG 15 65.522 13.740 9.928 117 HH21 ARG 15 HH11 ARG 15 62.789 14.371 11.966 118 HH22 ARG 15 HH12 ARG 15 64.381 14.878 11.513 119 H VAL 16 HN VAL 16 61.433 6.211 12.633 120 HA VAL 16 HA VAL 16 61.284 7.421 15.372 121 HB VAL 16 HB VAL 16 59.213 6.173 14.791 122 HG11 VAL 16 HG11 VAL 16 59.273 3.826 14.299 123 HG12 VAL 16 HG12 VAL 16 60.996 3.730 14.664 124 HG13 VAL 16 HG13 VAL 16 60.447 4.588 13.224 125 HG21 VAL 16 HG21 VAL 16 59.116 4.918 16.816 126 HG22 VAL 16 HG22 VAL 16 60.278 6.208 17.128 127 HG23 VAL 16 HG23 VAL 16 60.846 4.576 16.774 128 H MET 17 HN MET 17 62.949 5.361 13.169 129 HA MET 17 HA MET 17 64.291 3.537 14.798 130 HB2 MET 17 HB2 MET 17 66.330 4.211 13.188 131 HB3 MET 17 HB1 MET 17 64.941 3.301 12.595 132 HG2 MET 17 HG2 MET 17 63.976 5.187 11.580 133 HG3 MET 17 HG1 MET 17 64.910 6.312 12.567 134 HE1 MET 17 HE1 MET 17 65.237 3.304 10.283 135 HE2 MET 17 HE2 MET 17 66.756 3.145 11.162 136 HE3 MET 17 HE3 MET 17 66.776 3.518 9.440 137 H GLY 18 HN GLY 18 65.186 6.951 14.225 138 HA2 GLY 18 HA2 GLY 18 66.347 7.085 16.920 139 HA3 GLY 18 HA1 GLY 18 67.514 7.262 15.609 140 H GLY 19 HN GLY 19 65.267 8.912 17.544 141 HA2 GLY 19 HA2 GLY 19 64.223 10.950 15.967 142 HA3 GLY 19 HA1 GLY 19 64.777 11.216 17.621 143 HA PRO 20 HA PRO 20 68.336 13.575 16.555 144 HB2 PRO 20 HB2 PRO 20 70.181 11.283 17.099 145 HB3 PRO 20 HB1 PRO 20 70.205 12.930 17.756 146 HG2 PRO 20 HG2 PRO 20 69.359 10.855 19.202 147 HG3 PRO 20 HG1 PRO 20 68.626 12.461 19.353 148 HD2 PRO 20 HD2 PRO 20 67.534 10.010 18.047 149 HD3 PRO 20 HD1 PRO 20 66.672 11.351 18.833 150 H1U RCY 21 H1U RCY 21 66.996 11.709 5.726 151 H1S RCY 21 H1S RCY 21 68.693 12.174 9.753 152 HB1 RCY 21 HB1 RCY 21 67.251 12.642 11.180 153 HB2 RCY 21 HB2 RCY 21 66.843 11.706 12.616 154 HA RCY 21 HA RCY 21 69.643 11.840 12.642 155 HN1 RCY 21 HN1 RCY 21 67.758 13.526 14.245 156 H THR 22 HN THR 22 71.171 13.479 12.349 157 HA THR 22 HA THR 22 70.325 15.665 10.531 158 HB THR 22 HB THR 22 71.787 17.257 11.887 159 HG1 THR 22 HG1 THR 22 71.920 14.957 13.370 160 HG21 THR 22 HG21 THR 22 69.999 17.732 13.513 161 HG22 THR 22 HG22 THR 22 69.303 16.138 13.217 162 HG23 THR 22 HG23 THR 22 69.322 17.345 11.931 163 HA PRO 23 HA PRO 23 73.862 14.496 8.123 164 HB2 PRO 23 HB2 PRO 23 74.552 17.411 8.325 165 HB3 PRO 23 HB1 PRO 23 74.526 16.359 6.896 166 HG2 PRO 23 HG2 PRO 23 72.546 18.089 7.449 167 HG3 PRO 23 HG1 PRO 23 72.264 16.543 6.634 168 HD2 PRO 23 HD2 PRO 23 71.484 17.370 9.353 169 HD3 PRO 23 HD1 PRO 23 70.883 16.014 8.376 170 H ARG 24 HN ARG 24 76.046 13.974 8.537 171 HA ARG 24 HA ARG 24 77.417 15.305 10.807 172 HE ARG 24 HE ARG 24 76.784 12.551 15.345 173 HB2 ARG 24 HB2 ARG 24 76.537 12.432 10.722 174 HB3 ARG 24 HB1 ARG 24 78.044 12.843 11.541 175 HG2 ARG 24 HG2 ARG 24 76.880 14.427 12.984 176 HG3 ARG 24 HG1 ARG 24 75.370 14.155 12.112 177 HD2 ARG 24 HD2 ARG 24 74.978 12.160 13.148 178 HD3 ARG 24 HD1 ARG 24 76.684 11.715 13.153 179 HH11 ARG 24 HH21 ARG 24 74.250 14.033 13.537 180 HH12 ARG 24 HH22 ARG 24 73.680 14.987 14.866 181 HH21 ARG 24 HH11 ARG 24 76.054 13.788 17.090 182 HH22 ARG 24 HH12 ARG 24 74.701 14.849 16.877 183 H LYS 25 HN LYS 25 79.680 15.203 10.622 184 HA LYS 25 HA LYS 25 80.670 14.329 7.975 185 HB2 LYS 25 HB2 LYS 25 82.048 15.804 10.243 186 HB3 LYS 25 HB1 LYS 25 82.763 15.479 8.665 187 HG2 LYS 25 HG2 LYS 25 81.915 17.572 8.218 188 HG3 LYS 25 HG1 LYS 25 80.472 16.627 7.848 189 HD2 LYS 25 HD2 LYS 25 79.537 18.126 9.325 190 HD3 LYS 25 HD1 LYS 25 80.085 16.913 10.483 191 HE2 LYS 25 HE2 LYS 25 81.505 19.473 9.704 192 HE3 LYS 25 HE1 LYS 25 80.840 19.059 11.284 193 HZ1 LYS 25 HZ1 LYS 25 83.126 17.758 9.912 194 HZ2 LYS 25 HZ2 LYS 25 82.418 17.173 11.341 195 HZ3 LYS 25 HZ3 LYS 25 83.181 18.691 11.327 196 H GLY 26 HN GLY 26 82.000 14.040 11.289 197 HA2 GLY 26 HA2 GLY 26 83.425 12.354 12.146 198 HA3 GLY 26 HA1 GLY 26 82.077 11.324 11.663 199 HA PRO 27 HA PRO 27 84.745 8.910 9.068 200 HB2 PRO 27 HB2 PRO 27 82.501 9.326 7.112 201 HB3 PRO 27 HB1 PRO 27 83.361 7.831 7.528 202 HG2 PRO 27 HG2 PRO 27 80.941 8.409 8.522 203 HG3 PRO 27 HG1 PRO 27 82.157 7.515 9.448 204 HD2 PRO 27 HD2 PRO 27 81.152 10.256 9.873 205 HD3 PRO 27 HD1 PRO 27 82.024 9.192 10.997 206 HA PRO 28 HA PRO 28 87.222 11.486 6.464 207 HB2 PRO 28 HB2 PRO 28 86.405 9.661 4.221 208 HB3 PRO 28 HB1 PRO 28 88.019 10.265 4.648 209 HG2 PRO 28 HG2 PRO 28 87.210 7.798 5.297 210 HG3 PRO 28 HG1 PRO 28 88.290 8.739 6.336 211 HD2 PRO 28 HD2 PRO 28 85.467 7.997 6.784 212 HD3 PRO 28 HD1 PRO 28 86.690 8.531 7.957 213 H LYS 29 HN LYS 29 87.076 12.936 4.530 214 HA LYS 29 HA LYS 29 84.680 14.404 4.410 215 HB2 LYS 29 HB2 LYS 29 85.801 14.865 1.920 216 HB3 LYS 29 HB1 LYS 29 86.251 15.708 3.399 217 HG2 LYS 29 HG2 LYS 29 87.527 13.060 2.803 218 HG3 LYS 29 HG1 LYS 29 88.101 14.494 1.950 219 HD2 LYS 29 HD2 LYS 29 87.814 14.389 4.960 220 HD3 LYS 29 HD1 LYS 29 89.310 13.961 4.129 221 HE2 LYS 29 HE2 LYS 29 89.779 16.181 4.342 222 HE3 LYS 29 HE1 LYS 29 88.728 16.343 2.934 223 HZ1 LYS 29 HZ1 LYS 29 87.562 17.700 4.250 224 HZ2 LYS 29 HZ2 LYS 29 88.266 17.105 5.677 225 HZ3 LYS 29 HZ3 LYS 29 86.964 16.282 4.962 226 H1U RCY 30 H1U RCY 30 75.252 10.648 3.079 227 H1S RCY 30 H1S RCY 30 79.340 11.909 0.758 228 HB1 RCY 30 HB1 RCY 30 80.684 13.226 1.026 229 HB2 RCY 30 HB2 RCY 30 81.496 13.181 2.589 230 HA RCY 30 HA RCY 30 83.265 12.065 0.628 231 HN1 RCY 30 HN1 RCY 30 83.873 14.687 1.771 232 H LYS 31 HN LYS 31 81.183 14.917 0.518 233 HA LYS 31 HA LYS 31 80.561 16.231 -1.333 234 HB2 LYS 31 HB2 LYS 31 83.550 16.025 -1.812 235 HB3 LYS 31 HB1 LYS 31 82.479 17.189 -2.587 236 HG2 LYS 31 HG2 LYS 31 83.028 18.530 -0.828 237 HG3 LYS 31 HG1 LYS 31 81.844 17.562 0.051 238 HD2 LYS 31 HD2 LYS 31 83.705 17.372 1.441 239 HD3 LYS 31 HD1 LYS 31 83.885 15.939 0.427 240 HE2 LYS 31 HE2 LYS 31 85.360 17.289 -1.099 241 HE3 LYS 31 HE1 LYS 31 85.288 18.602 0.076 242 HZ1 LYS 31 HZ1 LYS 31 87.182 17.477 0.695 243 HZ2 LYS 31 HZ2 LYS 31 86.535 15.948 0.333 244 HZ3 LYS 31 HZ3 LYS 31 86.025 16.782 1.723 245 H GLN 32 HN GLN 32 83.066 15.295 -3.434 246 HA GLN 32 HA GLN 32 81.481 13.095 -4.643 247 HB2 GLN 32 HB2 GLN 32 80.876 15.444 -5.615 248 HB3 GLN 32 HB1 GLN 32 82.449 15.343 -6.405 249 HG2 GLN 32 HG2 GLN 32 80.977 14.403 -7.991 250 HG3 GLN 32 HG1 GLN 32 81.671 12.994 -7.188 251 HE21 GLN 32 HE21 GLN 32 79.238 12.538 -8.368 252 HE22 GLN 32 HE22 GLN 32 78.001 12.454 -7.208 253 H ARG 33 HN ARG 33 84.361 14.134 -3.536 254 HA ARG 33 HA ARG 33 85.817 12.112 -5.085 255 HE ARG 33 HE ARG 33 84.910 15.580 -7.659 256 HB2 ARG 33 HB2 ARG 33 87.636 13.717 -5.722 257 HB3 ARG 33 HB1 ARG 33 86.117 14.008 -6.567 258 HG2 ARG 33 HG2 ARG 33 86.479 15.435 -3.982 259 HG3 ARG 33 HG1 ARG 33 87.487 15.978 -5.323 260 HD2 ARG 33 HD2 ARG 33 84.464 15.736 -5.345 261 HD3 ARG 33 HD1 ARG 33 85.388 17.238 -5.310 262 HH11 ARG 33 HH21 ARG 33 86.998 17.815 -6.069 263 HH12 ARG 33 HH22 ARG 33 87.701 18.408 -7.538 264 HH21 ARG 33 HH11 ARG 33 85.815 16.341 -9.586 265 HH22 ARG 33 HH12 ARG 33 87.031 17.573 -9.528 266 H GLN 34 HN GLN 34 88.293 12.307 -4.290 267 HA GLN 34 HA GLN 34 89.766 12.176 -2.473 268 HB2 GLN 34 HB2 GLN 34 88.572 14.575 -2.143 269 HB3 GLN 34 HB1 GLN 34 87.982 13.771 -0.689 270 HG2 GLN 34 HG2 GLN 34 90.898 13.928 -1.516 271 HG3 GLN 34 HG1 GLN 34 90.139 14.955 -0.298 272 HE21 GLN 34 HE21 GLN 34 90.593 11.453 -1.050 273 HE22 GLN 34 HE22 GLN 34 90.710 10.971 0.574 274 H THR 35 HN THR 35 87.805 10.160 -2.845 275 HA THR 35 HA THR 35 86.607 9.547 -0.239 276 HB THR 35 HB THR 35 85.292 8.660 -1.941 277 HG1 THR 35 HG1 THR 35 86.172 6.333 -2.156 278 HG21 THR 35 HG21 THR 35 87.916 8.144 -3.337 279 HG22 THR 35 HG22 THR 35 86.580 9.170 -3.858 280 HG23 THR 35 HG23 THR 35 86.413 7.415 -3.903 281 H ARG 36 HN ARG 36 88.247 7.029 -2.013 282 HA ARG 36 HA ARG 36 90.376 6.903 0.077 283 HE ARG 36 HE ARG 36 90.996 2.058 2.714 284 HB2 ARG 36 HB2 ARG 36 88.338 5.288 0.414 285 HB3 ARG 36 HB1 ARG 36 89.047 4.392 -0.930 286 HG2 ARG 36 HG2 ARG 36 91.242 4.427 0.356 287 HG3 ARG 36 HG1 ARG 36 90.328 5.036 1.736 288 HD2 ARG 36 HD2 ARG 36 89.030 3.057 1.893 289 HD3 ARG 36 HD1 ARG 36 89.503 2.523 0.280 290 HH11 ARG 36 HH21 ARG 36 91.209 2.724 -0.662 291 HH12 ARG 36 HH22 ARG 36 92.750 1.955 -0.852 292 HH21 ARG 36 HH11 ARG 36 93.006 1.050 2.486 293 HH22 ARG 36 HH12 ARG 36 93.767 1.007 0.931 294 H GLN 37 HN GLN 37 90.142 7.687 -2.855 295 HA GLN 37 HA GLN 37 91.351 7.362 -4.840 296 HB2 GLN 37 HB2 GLN 37 93.265 6.354 -2.725 297 HB3 GLN 37 HB1 GLN 37 93.714 6.474 -4.427 298 HG2 GLN 37 HG2 GLN 37 94.369 8.503 -3.152 299 HG3 GLN 37 HG1 GLN 37 93.200 8.871 -4.421 300 HE21 GLN 37 HE21 GLN 37 93.126 7.844 -0.950 301 HE22 GLN 37 HE22 GLN 37 91.856 8.887 -0.524 302 H1U RCY 38 H1U RCY 38 87.775 -0.207 0.406 303 H1S RCY 38 H1S RCY 38 89.855 2.711 -1.486 304 HB1 RCY 38 HB1 RCY 38 91.178 1.987 -2.682 305 HB2 RCY 38 HB2 RCY 38 90.556 1.308 -4.185 306 HA RCY 38 HA RCY 38 92.917 2.344 -4.252 307 HN1 RCY 38 HN1 RCY 38 92.796 4.530 -3.330 308 H LYS 39 HN LYS 39 89.821 2.300 -5.633 309 HA LYS 39 HA LYS 39 89.188 1.856 -7.836 310 HB2 LYS 39 HB2 LYS 39 89.120 3.798 -9.070 311 HB3 LYS 39 HB1 LYS 39 89.557 4.475 -7.508 312 HG2 LYS 39 HG2 LYS 39 91.424 5.328 -8.455 313 HG3 LYS 39 HG1 LYS 39 91.993 3.679 -8.716 314 HD2 LYS 39 HD2 LYS 39 91.999 4.653 -10.878 315 HD3 LYS 39 HD1 LYS 39 90.518 3.696 -10.830 316 HE2 LYS 39 HE2 LYS 39 89.829 5.783 -11.711 317 HE3 LYS 39 HE1 LYS 39 89.369 5.857 -10.010 318 HZ1 LYS 39 HZ1 LYS 39 91.880 6.776 -9.930 319 HZ2 LYS 39 HZ2 LYS 39 90.506 7.768 -10.051 320 HZ3 LYS 39 HZ3 LYS 39 91.384 7.354 -11.446 321 H SER 40 HN SER 40 90.282 2.047 -10.253 322 HA SER 40 HA SER 40 91.777 0.972 -11.708 323 HG SER 40 HG SER 40 94.424 0.192 -9.580 324 HB2 SER 40 HB2 SER 40 94.043 1.413 -11.361 325 HB3 SER 40 HB1 SER 40 93.291 2.661 -10.371 326 H LYS 41 HN LYS 41 90.194 -0.763 -10.277 327 HA LYS 41 HA LYS 41 92.077 -3.018 -9.741 328 HB2 LYS 41 HB2 LYS 41 90.361 -3.792 -8.020 329 HB3 LYS 41 HB1 LYS 41 91.311 -2.377 -7.571 330 HG2 LYS 41 HG2 LYS 41 89.446 -0.931 -8.436 331 HG3 LYS 41 HG1 LYS 41 88.487 -2.393 -8.673 332 HD2 LYS 41 HD2 LYS 41 89.744 -2.003 -5.996 333 HD3 LYS 41 HD1 LYS 41 88.364 -0.980 -6.400 334 HE2 LYS 41 HE2 LYS 41 87.555 -3.006 -5.313 335 HE3 LYS 41 HE1 LYS 41 87.077 -3.035 -7.011 336 HZ1 LYS 41 HZ1 LYS 41 88.066 -5.143 -6.128 337 HZ2 LYS 41 HZ2 LYS 41 89.550 -4.324 -6.009 338 HZ3 LYS 41 HZ3 LYS 41 88.808 -4.529 -7.524 339 HA PRO 42 HA PRO 42 89.348 -4.816 -12.812 340 HB2 PRO 42 HB2 PRO 42 90.435 -7.308 -12.904 341 HB3 PRO 42 HB1 PRO 42 91.245 -5.891 -13.603 342 HG2 PRO 42 HG2 PRO 42 91.756 -7.262 -11.011 343 HG3 PRO 42 HG1 PRO 42 92.906 -6.584 -12.176 344 HD2 PRO 42 HD2 PRO 42 92.140 -5.293 -9.861 345 HD3 PRO 42 HD1 PRO 42 92.721 -4.451 -11.315 346 HA PRO 43 HA PRO 43 86.297 -7.059 -10.491 347 HB2 PRO 43 HB2 PRO 43 85.106 -8.564 -12.433 348 HB3 PRO 43 HB1 PRO 43 84.906 -6.803 -12.327 349 HG2 PRO 43 HG2 PRO 43 86.681 -8.394 -14.111 350 HG3 PRO 43 HG1 PRO 43 85.722 -6.947 -14.469 351 HD2 PRO 43 HD2 PRO 43 88.425 -6.874 -13.988 352 HD3 PRO 43 HD1 PRO 43 87.336 -5.510 -13.647 353 H LYS 44 HN LYS 44 86.691 -8.746 -9.101 354 HA LYS 44 HA LYS 44 87.478 -11.375 -10.226 355 HB2 LYS 44 HB2 LYS 44 89.109 -9.783 -8.240 356 HB3 LYS 44 HB1 LYS 44 89.241 -11.536 -8.352 357 HG2 LYS 44 HG2 LYS 44 89.600 -9.670 -10.715 358 HG3 LYS 44 HG1 LYS 44 90.937 -10.296 -9.749 359 HD2 LYS 44 HD2 LYS 44 89.763 -12.625 -10.252 360 HD3 LYS 44 HD1 LYS 44 89.123 -11.744 -11.639 361 HE2 LYS 44 HE2 LYS 44 91.155 -12.675 -12.426 362 HE3 LYS 44 HE1 LYS 44 91.555 -10.997 -12.059 363 HZ1 LYS 44 HZ1 LYS 44 92.494 -13.412 -10.825 364 HZ2 LYS 44 HZ2 LYS 44 91.946 -12.265 -9.698 365 HZ3 LYS 44 HZ3 LYS 44 93.166 -11.854 -10.807 366 H LYS 45 HN LYS 45 87.358 -9.890 -6.974 367 HA LYS 45 HA LYS 45 86.401 -12.026 -5.529 368 HB2 LYS 45 HB2 LYS 45 86.914 -9.700 -4.662 369 HB3 LYS 45 HB1 LYS 45 85.300 -9.225 -5.185 370 HG2 LYS 45 HG2 LYS 45 84.916 -9.826 -2.958 371 HG3 LYS 45 HG1 LYS 45 84.532 -11.325 -3.805 372 HD2 LYS 45 HD2 LYS 45 86.811 -12.160 -3.377 373 HD3 LYS 45 HD1 LYS 45 87.205 -10.660 -2.536 374 HE2 LYS 45 HE2 LYS 45 86.618 -12.073 -0.764 375 HE3 LYS 45 HE1 LYS 45 85.104 -11.226 -1.081 376 HZ1 LYS 45 HZ1 LYS 45 85.160 -13.809 -0.911 377 HZ2 LYS 45 HZ2 LYS 45 85.673 -13.715 -2.528 378 HZ3 LYS 45 HZ3 LYS 45 84.178 -13.051 -2.068 379 H GLY 46 HN GLY 46 83.857 -9.639 -5.977 380 HA2 GLY 46 HA2 GLY 46 81.798 -11.581 -6.122 381 HA3 GLY 46 HA1 GLY 46 81.627 -9.909 -6.658 382 H VAL 47 HN VAL 47 81.109 -12.863 -7.780 383 HA VAL 47 HA VAL 47 82.196 -12.298 -10.515 384 HB VAL 47 HB VAL 47 81.656 -14.787 -10.865 385 HG11 VAL 47 HG11 VAL 47 83.745 -15.472 -9.594 386 HG12 VAL 47 HG12 VAL 47 83.780 -13.841 -8.924 387 HG13 VAL 47 HG13 VAL 47 83.946 -14.084 -10.662 388 HG21 VAL 47 HG21 VAL 47 80.217 -14.843 -8.754 389 HG22 VAL 47 HG22 VAL 47 81.724 -14.806 -7.838 390 HG23 VAL 47 HG23 VAL 47 81.381 -16.157 -8.919 391 H GLN 48 HN GLN 48 79.348 -12.545 -8.609 392 HA GLN 48 HA GLN 48 77.548 -13.115 -10.849 393 HB2 GLN 48 HB2 GLN 48 75.758 -12.641 -9.195 394 HB3 GLN 48 HB1 GLN 48 76.929 -13.802 -8.572 395 HG2 GLN 48 HG2 GLN 48 76.830 -12.365 -6.763 396 HG3 GLN 48 HG1 GLN 48 78.112 -11.579 -7.685 397 HE21 GLN 48 HE21 GLN 48 76.595 -9.988 -5.946 398 HE22 GLN 48 HE22 GLN 48 75.576 -8.969 -6.843 399 H GLY 49 HN GLY 49 78.480 -10.269 -8.929 400 HA2 GLY 49 HA2 GLY 49 77.820 -8.530 -11.204 401 HA3 GLY 49 HA1 GLY 49 76.833 -8.272 -9.764 402 H1U RCY 50 H1U RCY 50 80.374 -4.241 -4.322 403 H1S RCY 50 H1S RCY 50 83.441 -4.609 -7.366 404 HB1 RCY 50 HB1 RCY 50 82.316 -8.420 -9.512 405 HB2 RCY 50 HB2 RCY 50 81.463 -7.985 -8.031 406 HA RCY 50 HA RCY 50 80.658 -5.924 -9.049 407 HN1 RCY 50 HN1 RCY 50 79.981 -7.828 -11.176 408 H GLY 51 HN GLY 51 81.035 -4.263 -10.477 409 HA2 GLY 51 HA2 GLY 51 82.461 -3.015 -11.903 410 HA3 GLY 51 HA1 GLY 51 83.403 -4.476 -12.193 411 H ASP 52 HN ASP 52 79.903 -3.942 -12.670 412 HA ASP 52 HA ASP 52 79.852 -5.307 -15.174 413 HB2 ASP 52 HB2 ASP 52 77.659 -4.030 -15.494 414 HB3 ASP 52 HB1 ASP 52 77.771 -5.007 -14.030 415 H ASP 53 HN ASP 53 81.388 -2.484 -14.430 416 HA ASP 53 HA ASP 53 82.459 -0.913 -15.795 417 HB2 ASP 53 HB2 ASP 53 82.969 -1.600 -17.900 418 HB3 ASP 53 HB1 ASP 53 82.090 -3.067 -17.481 419 H ILE 54 HN ILE 54 79.206 -1.262 -15.356 420 HA ILE 54 HA ILE 54 78.675 1.428 -16.549 421 HB ILE 54 HB ILE 54 76.565 -0.724 -16.310 422 HG12 ILE 54 HG12 ILE 54 78.559 -1.404 -17.775 423 HG13 ILE 54 HG11 ILE 54 76.980 -1.404 -18.561 424 HG21 ILE 54 HG21 ILE 54 75.553 0.698 -18.149 425 HG22 ILE 54 HG22 ILE 54 76.846 1.863 -17.861 426 HG23 ILE 54 HG23 ILE 54 75.685 1.500 -16.584 427 HD11 ILE 54 HD11 ILE 54 77.415 0.783 -19.539 428 HD12 ILE 54 HD12 ILE 54 78.750 -0.297 -19.939 429 HD13 ILE 54 HD13 ILE 54 78.941 0.906 -18.664 430 HA PRO 55 HA PRO 55 77.590 2.095 -12.241 431 HB2 PRO 55 HB2 PRO 55 76.826 4.703 -12.437 432 HB3 PRO 55 HB1 PRO 55 78.526 4.198 -12.484 433 HG2 PRO 55 HG2 PRO 55 76.722 4.953 -14.725 434 HG3 PRO 55 HG1 PRO 55 78.440 5.311 -14.486 435 HD2 PRO 55 HD2 PRO 55 77.510 3.311 -16.146 436 HD3 PRO 55 HD1 PRO 55 79.117 3.300 -15.389 437 H GLY 56 HN GLY 56 75.544 3.490 -11.220 438 HA2 GLY 56 HA2 GLY 56 73.222 1.931 -11.844 439 HA3 GLY 56 HA1 GLY 56 73.231 3.376 -10.831 440 H MET 57 HN MET 57 74.621 4.136 -13.773 441 HA MET 57 HA MET 57 73.861 5.585 -15.463 442 HB2 MET 57 HB2 MET 57 72.480 3.088 -15.572 443 HB3 MET 57 HB1 MET 57 71.312 4.343 -15.976 444 HG2 MET 57 HG2 MET 57 74.029 3.960 -17.269 445 HG3 MET 57 HG1 MET 57 72.470 3.587 -18.004 446 HE1 MET 57 HE1 MET 57 74.681 7.126 -18.864 447 HE2 MET 57 HE2 MET 57 74.880 5.381 -19.002 448 HE3 MET 57 HE3 MET 57 75.190 6.178 -17.461 449 H GLU 58 HN GLU 58 72.992 6.159 -12.640 450 HA GLU 58 HA GLU 58 71.579 7.684 -11.556 451 HB2 GLU 58 HB2 GLU 58 72.340 8.945 -13.749 452 HB3 GLU 58 HB1 GLU 58 70.662 8.702 -14.233 453 HG2 GLU 58 HG2 GLU 58 69.884 9.810 -12.189 454 HG3 GLU 58 HG1 GLU 58 71.549 10.003 -11.640 455 H GLY 59 HN GLY 59 70.416 5.362 -11.471 456 HA2 GLY 59 HA2 GLY 59 67.651 5.773 -11.341 457 HA3 GLY 59 HA1 GLY 59 67.947 5.080 -12.938 458 H1U RCY 60 H1U RCY 60 62.933 6.221 -5.169 459 H1S RCY 60 H1S RCY 60 65.592 3.497 -6.607 460 HB1 RCY 60 HB1 RCY 60 68.131 1.759 -7.306 461 HB2 RCY 60 HB2 RCY 60 66.565 2.055 -8.061 462 HA RCY 60 HA RCY 60 69.286 2.051 -9.268 463 HN1 RCY 60 HN1 RCY 60 67.891 4.441 -9.521 464 H GLY 61 HN GLY 61 69.203 0.859 -11.249 465 HA2 GLY 61 HA2 GLY 61 66.901 -0.953 -11.434 466 HA3 GLY 61 HA1 GLY 61 67.116 0.097 -12.839 467 H THR 62 HN THR 62 70.101 0.045 -12.149 468 HA THR 62 HA THR 62 70.689 -2.544 -13.527 469 HB THR 62 HB THR 62 72.178 0.096 -13.443 470 HG1 THR 62 HG1 THR 62 71.445 -1.269 -15.759 471 HG21 THR 62 HG21 THR 62 72.990 -2.622 -14.481 472 HG22 THR 62 HG22 THR 62 73.880 -1.563 -13.388 473 HG23 THR 62 HG23 THR 62 73.712 -1.133 -15.090 474 H ASP 63 HN ASP 63 71.775 -0.341 -10.949 475 HA ASP 63 HA ASP 63 73.963 -1.777 -9.964 476 HB2 ASP 63 HB2 ASP 63 73.047 -0.913 -7.644 477 HB3 ASP 63 HB1 ASP 63 73.607 0.243 -8.852 478 H ILE 64 HN ILE 64 70.504 -2.418 -9.512 479 HA ILE 64 HA ILE 64 71.015 -4.627 -7.661 480 HB ILE 64 HB ILE 64 68.871 -3.331 -7.630 481 HG12 ILE 64 HG12 ILE 64 69.215 -6.211 -7.641 482 HG13 ILE 64 HG11 ILE 64 68.184 -5.222 -6.607 483 HG21 ILE 64 HG21 ILE 64 68.325 -4.804 -10.225 484 HG22 ILE 64 HG22 ILE 64 68.719 -3.089 -10.118 485 HG23 ILE 64 HG23 ILE 64 67.232 -3.698 -9.394 486 HD11 ILE 64 HD11 ILE 64 66.799 -6.776 -7.891 487 HD12 ILE 64 HD12 ILE 64 67.509 -6.198 -9.398 488 HD13 ILE 64 HD13 ILE 64 66.493 -5.126 -8.433 489 H THR 65 HN THR 65 72.472 -4.740 -10.123 490 HA THR 65 HA THR 65 71.592 -6.232 -12.243 491 HB THR 65 HB THR 65 74.032 -7.102 -10.667 492 HG1 THR 65 HG1 THR 65 73.445 -4.751 -11.967 493 HG21 THR 65 HG21 THR 65 73.162 -8.358 -12.752 494 HG22 THR 65 HG22 THR 65 74.859 -7.879 -12.737 495 HG23 THR 65 HG23 THR 65 73.685 -6.938 -13.658 496 H VAL 66 HN VAL 66 71.790 -7.258 -8.924 497 HA VAL 66 HA VAL 66 70.168 -9.636 -9.566 498 HB VAL 66 HB VAL 66 72.632 -9.959 -7.846 499 HG11 VAL 66 HG11 VAL 66 71.235 -12.075 -9.461 500 HG12 VAL 66 HG12 VAL 66 70.544 -11.549 -7.926 501 HG13 VAL 66 HG13 VAL 66 72.163 -12.247 -7.971 502 HG21 VAL 66 HG21 VAL 66 73.681 -11.031 -9.858 503 HG22 VAL 66 HG22 VAL 66 73.445 -9.293 -10.044 504 HG23 VAL 66 HG23 VAL 66 72.342 -10.422 -10.831 505 H ILE 67 HN ILE 67 72.030 -8.384 -6.772 506 HA ILE 67 HA ILE 67 69.462 -7.954 -5.331 507 HB ILE 67 HB ILE 67 71.854 -9.476 -4.244 508 HG12 ILE 67 HG12 ILE 67 69.492 -10.926 -3.882 509 HG13 ILE 67 HG11 ILE 67 69.340 -10.251 -5.505 510 HG21 ILE 67 HG21 ILE 67 71.012 -8.139 -2.456 511 HG22 ILE 67 HG22 ILE 67 70.280 -9.729 -2.239 512 HG23 ILE 67 HG23 ILE 67 69.339 -8.414 -2.943 513 HD11 ILE 67 HD11 ILE 67 71.713 -11.079 -5.934 514 HD12 ILE 67 HD12 ILE 67 70.487 -12.335 -5.765 515 HD13 ILE 67 HD13 ILE 67 71.575 -11.979 -4.423 516 H1U RCY 68 H1U RCY 68 67.200 0.150 -9.253 517 H1S RCY 68 H1S RCY 68 70.001 -0.610 -5.571 518 HB1 RCY 68 HB1 RCY 68 69.876 -2.777 -4.258 519 HB2 RCY 68 HB2 RCY 68 69.858 -3.601 -5.812 520 HA RCY 68 HA RCY 68 72.242 -4.455 -4.681 521 HN1 RCY 68 HN1 RCY 68 69.680 -5.698 -5.285 522 HA PRO 69 HA PRO 69 72.407 -4.882 -0.276 523 HB2 PRO 69 HB2 PRO 69 72.959 -1.938 -0.374 524 HB3 PRO 69 HB1 PRO 69 73.815 -3.217 0.509 525 HG2 PRO 69 HG2 PRO 69 74.752 -2.187 -1.783 526 HG3 PRO 69 HG1 PRO 69 75.001 -3.880 -1.330 527 HD2 PRO 69 HD2 PRO 69 73.285 -2.760 -3.458 528 HD3 PRO 69 HD1 PRO 69 73.909 -4.413 -3.268 529 H TRP 70 HN TRP 70 70.227 -2.598 -1.801 530 HA TRP 70 HA TRP 70 69.017 -1.716 0.686 531 HD1 TRP 70 HD1 TRP 70 68.274 -3.841 -2.114 532 HE1 TRP 70 HE1 TRP 70 67.113 -4.229 -4.381 533 HE3 TRP 70 HE3 TRP 70 66.626 0.894 -3.083 534 HZ2 TRP 70 HZ2 TRP 70 65.673 -2.728 -6.350 535 HZ3 TRP 70 HZ3 TRP 70 65.366 1.387 -5.155 536 HH2 TRP 70 HH2 TRP 70 64.886 -0.413 -6.789 537 HB2 TRP 70 HB2 TRP 70 67.351 -0.635 -0.667 538 HB3 TRP 70 HB1 TRP 70 68.908 -0.413 -1.451 539 H GLU 71 HN GLU 71 69.256 -4.624 0.276 540 HA GLU 71 HA GLU 71 66.446 -5.309 0.944 541 HB2 GLU 71 HB2 GLU 71 68.079 -6.486 -1.300 542 HB3 GLU 71 HB1 GLU 71 66.888 -7.484 -0.464 543 HG2 GLU 71 HG2 GLU 71 65.091 -6.112 -1.128 544 HG3 GLU 71 HG1 GLU 71 66.150 -4.754 -1.510 545 H ALA 72 HN ALA 72 69.205 -7.429 0.246 546 HA ALA 72 HA ALA 72 68.980 -8.645 2.891 547 HB1 ALA 72 HB1 ALA 72 71.183 -9.036 0.845 548 HB2 ALA 72 HB2 ALA 72 69.640 -9.888 0.781 549 HB3 ALA 72 HB3 ALA 72 70.727 -10.135 2.148 550 H1U RCY 73 H1U RCY 73 68.710 0.604 8.619 551 H1S RCY 73 H1S RCY 73 70.302 -3.512 7.088 552 HB1 RCY 73 HB1 RCY 73 70.036 -4.679 5.631 553 HB2 RCY 73 HB2 RCY 73 69.977 -3.781 4.114 554 HA RCY 73 HA RCY 73 72.062 -5.012 3.402 555 HN1 RCY 73 HN1 RCY 73 69.447 -5.987 3.308 556 H ASN 74 HN ASN 74 70.467 -6.615 6.189 557 HA ASN 74 HA ASN 74 73.146 -7.263 7.273 558 HB2 ASN 74 HB2 ASN 74 71.679 -8.217 9.181 559 HB3 ASN 74 HB1 ASN 74 71.684 -6.467 8.956 560 HD21 ASN 74 HD21 ASN 74 69.515 -6.095 9.709 561 HD22 ASN 74 HD22 ASN 74 68.150 -6.680 8.887 562 H HIS 75 HN HIS 75 73.993 -9.030 6.217 563 HA HIS 75 HA HIS 75 72.843 -11.627 6.692 564 HD1 HIS 75 HD1 HIS 75 74.449 -13.025 4.343 565 HD2 HIS 75 HD2 HIS 75 70.321 -13.278 3.805 566 HE1 HIS 75 HE1 HIS 75 73.970 -15.394 3.585 567 HE2 HIS 75 HE2 HIS 75 71.460 -15.561 3.253 568 HB2 HIS 75 HB2 HIS 75 71.318 -10.919 4.884 569 HB3 HIS 75 HB1 HIS 75 72.701 -10.581 3.845 570 H1U RCY 76 H1U RCY 76 76.959 -12.247 -2.453 571 H1S RCY 76 H1S RCY 76 76.060 -8.892 0.356 572 HB1 RCY 76 HB1 RCY 76 75.895 -11.565 1.864 573 HB2 RCY 76 HB2 RCY 76 77.633 -11.651 2.153 574 HA RCY 76 HA RCY 76 76.555 -12.734 4.014 575 HN1 RCY 76 HN1 RCY 76 74.434 -10.935 3.649 576 H GLU 77 HN GLU 77 76.158 -9.531 5.328 577 HA GLU 77 HA GLU 77 78.809 -8.741 5.790 578 HB2 GLU 77 HB2 GLU 77 76.225 -8.323 7.233 579 HB3 GLU 77 HB1 GLU 77 77.706 -7.905 8.094 580 HG2 GLU 77 HG2 GLU 77 77.114 -6.942 5.286 581 HG3 GLU 77 HG1 GLU 77 76.676 -6.022 6.726 582 H LEU 78 HN LEU 78 80.453 -9.650 6.912 583 HA LEU 78 HA LEU 78 80.015 -12.110 8.411 584 HG LEU 78 HG LEU 78 81.913 -13.420 7.545 585 HB2 LEU 78 HB2 LEU 78 82.389 -10.429 7.670 586 HB3 LEU 78 HB1 LEU 78 82.560 -11.595 8.982 587 HD11 LEU 78 HD11 LEU 78 81.510 -12.793 5.044 588 HD12 LEU 78 HD12 LEU 78 81.144 -11.188 5.675 589 HD13 LEU 78 HD13 LEU 78 80.188 -12.577 6.191 590 HD21 LEU 78 HD21 LEU 78 83.681 -13.314 5.828 591 HD22 LEU 78 HD22 LEU 78 84.263 -12.660 7.359 592 HD23 LEU 78 HD23 LEU 78 83.801 -11.569 6.053 593 H HIS 79 HN HIS 79 79.650 -8.869 9.162 594 HA HIS 79 HA HIS 79 79.127 -7.866 11.226 595 HD1 HIS 79 HD1 HIS 79 76.503 -8.765 12.554 596 HD2 HIS 79 HD2 HIS 79 79.878 -8.694 15.005 597 HE1 HIS 79 HE1 HIS 79 75.825 -7.548 14.669 598 HE2 HIS 79 HE2 HIS 79 77.871 -7.497 16.170 599 HB2 HIS 79 HB2 HIS 79 78.401 -10.341 11.752 600 HB3 HIS 79 HB1 HIS 79 79.888 -10.377 12.699 601 H GLU 80 HN GLU 80 81.809 -7.838 10.042 602 HA GLU 80 HA GLU 80 83.739 -8.177 12.189 603 HB2 GLU 80 HB2 GLU 80 84.323 -8.241 9.738 604 HB3 GLU 80 HB1 GLU 80 84.027 -6.504 9.675 605 HG2 GLU 80 HG2 GLU 80 85.719 -6.237 11.533 606 HG3 GLU 80 HG1 GLU 80 86.112 -7.945 11.331 607 H LEU 81 HN LEU 81 83.719 -5.086 10.548 608 HA LEU 81 HA LEU 81 83.501 -3.752 13.188 609 HG LEU 81 HG LEU 81 83.243 -3.040 9.708 610 HB2 LEU 81 HB2 LEU 81 84.160 -1.705 11.887 611 HB3 LEU 81 HB1 LEU 81 85.348 -3.003 11.804 612 HD11 LEU 81 HD11 LEU 81 83.699 -0.646 9.785 613 HD12 LEU 81 HD12 LEU 81 84.486 -1.334 8.364 614 HD13 LEU 81 HD13 LEU 81 85.437 -0.947 9.798 615 HD21 LEU 81 HD21 LEU 81 86.251 -3.218 9.450 616 HD22 LEU 81 HD22 LEU 81 85.024 -3.897 8.380 617 HD23 LEU 81 HD23 LEU 81 85.278 -4.591 9.981 618 H ALA 82 HN ALA 82 81.318 -4.915 11.203 619 HA ALA 82 HA ALA 82 79.662 -2.671 10.502 620 HB1 ALA 82 HB1 ALA 82 78.006 -4.284 9.938 621 HB2 ALA 82 HB2 ALA 82 78.666 -5.467 11.069 622 HB3 ALA 82 HB3 ALA 82 79.546 -5.070 9.593 623 H GLN 83 HN GLN 83 77.350 -4.320 11.894 624 HA GLN 83 HA GLN 83 76.012 -3.958 13.780 625 HB2 GLN 83 HB2 GLN 83 77.940 -5.180 14.826 626 HB3 GLN 83 HB1 GLN 83 78.680 -3.621 15.186 627 HG2 GLN 83 HG2 GLN 83 75.850 -4.121 16.050 628 HG3 GLN 83 HG1 GLN 83 77.170 -4.808 16.997 629 HE21 GLN 83 HE21 GLN 83 75.309 -2.554 17.736 630 HE22 GLN 83 HE22 GLN 83 76.319 -1.231 18.070 631 H TYR 84 HN TYR 84 75.206 -1.914 12.965 632 HA TYR 84 HA TYR 84 74.850 0.409 13.052 633 HD1 TYR 84 HD2 TYR 84 73.613 -1.772 15.280 634 HD2 TYR 84 HD1 TYR 84 73.668 2.522 15.405 635 HE1 TYR 84 HE2 TYR 84 71.148 -1.748 15.553 636 HE2 TYR 84 HE1 TYR 84 71.203 2.545 15.679 637 HH TYR 84 HH TYR 84 69.439 0.048 16.649 638 HB2 TYR 84 HB2 TYR 84 75.725 -0.409 15.786 639 HB3 TYR 84 HB1 TYR 84 75.703 1.321 15.442 640 H GLY 85 HN GLY 85 77.600 -0.777 12.302 641 HA2 GLY 85 HA2 GLY 85 79.092 1.813 12.460 642 HA3 GLY 85 HA1 GLY 85 79.917 0.257 12.620 643 H ILE 86 HN ILE 86 77.234 0.984 10.468 644 HA ILE 86 HA ILE 86 77.045 0.831 8.147 645 HB ILE 86 HB ILE 86 79.985 1.594 8.196 646 HG12 ILE 86 HG12 ILE 86 77.467 3.287 8.128 647 HG13 ILE 86 HG11 ILE 86 78.656 3.230 9.429 648 HG21 ILE 86 HG21 ILE 86 79.574 2.395 5.928 649 HG22 ILE 86 HG22 ILE 86 77.871 1.952 6.050 650 HG23 ILE 86 HG23 ILE 86 79.110 0.697 6.033 651 HD11 ILE 86 HD11 ILE 86 79.155 5.184 8.122 652 HD12 ILE 86 HD12 ILE 86 79.058 4.272 6.615 653 HD13 ILE 86 HD13 ILE 86 80.389 3.985 7.736 654 H1U RCY 87 H1U RCY 87 76.311 0.001 0.361 655 H1S RCY 87 H1S RCY 87 79.201 -2.760 2.663 656 HB1 RCY 87 HB1 RCY 87 77.179 -2.231 5.017 657 HB2 RCY 87 HB2 RCY 87 76.688 -3.726 5.808 658 HA RCY 87 HA RCY 87 78.093 -3.391 7.584 659 HN1 RCY 87 HN1 RCY 87 77.136 -0.899 6.743 Start of MODEL 96 1 HA MET 1 HA MET 1 48.444 14.731 1.700 2 HB2 MET 1 HB2 MET 1 47.039 15.786 4.157 3 HB3 MET 1 HB1 MET 1 47.730 16.697 2.813 4 HG2 MET 1 HG2 MET 1 45.257 14.949 2.756 5 HG3 MET 1 HG1 MET 1 45.334 16.696 2.525 6 HE1 MET 1 HE1 MET 1 44.578 13.701 0.850 7 HE2 MET 1 HE2 MET 1 44.553 14.345 -0.790 8 HE3 MET 1 HE3 MET 1 43.746 15.223 0.506 9 H ASN 2 HN ASN 2 49.038 12.394 3.544 10 HA ASN 2 HA ASN 2 51.389 13.605 4.806 11 HB2 ASN 2 HB2 ASN 2 50.774 12.558 7.060 12 HB3 ASN 2 HB1 ASN 2 49.888 14.018 6.617 13 HD21 ASN 2 HD21 ASN 2 48.088 13.251 8.032 14 HD22 ASN 2 HD22 ASN 2 47.034 12.043 7.474 15 H LEU 3 HN LEU 3 52.479 11.671 6.185 16 HA LEU 3 HA LEU 3 52.628 9.412 4.279 17 HG LEU 3 HG LEU 3 54.123 7.683 5.132 18 HB2 LEU 3 HB2 LEU 3 54.745 10.359 4.976 19 HB3 LEU 3 HB1 LEU 3 54.314 10.187 6.676 20 HD11 LEU 3 HD11 LEU 3 56.072 8.467 3.990 21 HD12 LEU 3 HD12 LEU 3 56.659 7.397 5.263 22 HD13 LEU 3 HD13 LEU 3 56.750 9.146 5.470 23 HD21 LEU 3 HD21 LEU 3 53.986 8.101 7.679 24 HD22 LEU 3 HD22 LEU 3 55.739 8.277 7.614 25 HD23 LEU 3 HD23 LEU 3 54.987 6.755 7.137 26 H GLU 4 HN GLU 4 51.750 7.436 4.711 27 HA GLU 4 HA GLU 4 50.274 7.091 7.236 28 HB2 GLU 4 HB2 GLU 4 49.335 6.455 4.972 29 HB3 GLU 4 HB1 GLU 4 50.520 5.149 4.926 30 HG2 GLU 4 HG2 GLU 4 48.492 4.201 5.796 31 HG3 GLU 4 HG1 GLU 4 49.594 4.377 7.162 32 HA PRO 5 HA PRO 5 53.630 5.070 9.402 33 HB2 PRO 5 HB2 PRO 5 51.366 3.302 10.280 34 HB3 PRO 5 HB1 PRO 5 52.653 4.042 11.252 35 HG2 PRO 5 HG2 PRO 5 50.179 5.055 11.174 36 HG3 PRO 5 HG1 PRO 5 51.612 6.085 11.317 37 HD2 PRO 5 HD2 PRO 5 49.784 5.749 9.014 38 HD3 PRO 5 HD1 PRO 5 50.898 7.084 9.383 39 HA PRO 6 HA PRO 6 54.550 1.554 6.841 40 HB2 PRO 6 HB2 PRO 6 56.328 0.203 8.413 41 HB3 PRO 6 HB1 PRO 6 56.725 1.732 7.604 42 HG2 PRO 6 HG2 PRO 6 55.957 1.245 10.438 43 HG3 PRO 6 HG1 PRO 6 57.180 2.340 9.771 44 HD2 PRO 6 HD2 PRO 6 54.705 3.190 10.593 45 HD3 PRO 6 HD1 PRO 6 55.639 4.005 9.319 46 H LYS 7 HN LYS 7 53.633 -0.450 6.463 47 HA LYS 7 HA LYS 7 51.867 -1.573 8.501 48 HB2 LYS 7 HB2 LYS 7 51.260 -3.191 6.768 49 HB3 LYS 7 HB1 LYS 7 51.276 -1.566 6.086 50 HG2 LYS 7 HG2 LYS 7 53.878 -2.345 5.695 51 HG3 LYS 7 HG1 LYS 7 53.017 -3.870 5.484 52 HD2 LYS 7 HD2 LYS 7 52.266 -1.290 4.081 53 HD3 LYS 7 HD1 LYS 7 53.256 -2.557 3.356 54 HE2 LYS 7 HE2 LYS 7 50.552 -3.192 4.527 55 HE3 LYS 7 HE1 LYS 7 50.705 -2.589 2.877 56 HZ1 LYS 7 HZ1 LYS 7 51.175 -4.651 2.267 57 HZ2 LYS 7 HZ2 LYS 7 51.213 -5.187 3.879 58 HZ3 LYS 7 HZ3 LYS 7 52.617 -4.561 3.156 59 H ALA 8 HN ALA 8 52.419 -4.369 7.519 60 HA ALA 8 HA ALA 8 54.461 -5.005 9.531 61 HB1 ALA 8 HB1 ALA 8 53.079 -6.933 7.652 62 HB2 ALA 8 HB2 ALA 8 52.324 -6.346 9.133 63 HB3 ALA 8 HB3 ALA 8 53.813 -7.287 9.216 64 H GLU 9 HN GLU 9 56.506 -4.493 8.786 65 HA GLU 9 HA GLU 9 57.305 -4.974 6.025 66 HB2 GLU 9 HB2 GLU 9 58.260 -3.167 7.528 67 HB3 GLU 9 HB1 GLU 9 59.105 -4.444 8.403 68 HG2 GLU 9 HG2 GLU 9 60.045 -5.172 6.134 69 HG3 GLU 9 HG1 GLU 9 59.447 -3.634 5.511 70 H1U RCY 10 H1U RCY 10 56.345 -3.498 8.132 71 H1S RCY 10 H1S RCY 10 56.149 -7.879 9.971 72 HB1 RCY 10 HB1 RCY 10 56.957 -10.892 7.245 73 HB2 RCY 10 HB2 RCY 10 56.085 -9.908 6.069 74 HA RCY 10 HA RCY 10 58.457 -9.072 7.761 75 HN1 RCY 10 HN1 RCY 10 56.484 -7.356 6.400 76 H ARG 11 HN ARG 11 59.146 -11.096 6.396 77 HA ARG 11 HA ARG 11 60.645 -10.093 4.113 78 HE ARG 11 HE ARG 11 64.155 -13.891 2.375 79 HB2 ARG 11 HB2 ARG 11 61.563 -11.823 5.630 80 HB3 ARG 11 HB1 ARG 11 60.291 -12.933 5.121 81 HG2 ARG 11 HG2 ARG 11 61.151 -13.115 2.936 82 HG3 ARG 11 HG1 ARG 11 62.103 -11.638 3.091 83 HD2 ARG 11 HD2 ARG 11 63.748 -12.675 4.385 84 HD3 ARG 11 HD1 ARG 11 62.663 -13.960 4.913 85 HH11 ARG 11 HH21 ARG 11 61.619 -15.216 4.299 86 HH12 ARG 11 HH22 ARG 11 61.530 -16.694 3.402 87 HH21 ARG 11 HH11 ARG 11 64.053 -15.814 1.192 88 HH22 ARG 11 HH12 ARG 11 62.908 -17.033 1.643 89 H SER 12 HN SER 12 57.540 -11.485 4.547 90 HA SER 12 HA SER 12 57.380 -12.498 1.775 91 HG SER 12 HG SER 12 54.968 -12.598 1.421 92 HB2 SER 12 HB2 SER 12 56.188 -13.845 3.331 93 HB3 SER 12 HB1 SER 12 55.464 -12.442 4.111 94 H ALA 13 HN ALA 13 56.795 -9.590 3.503 95 HA ALA 13 HA ALA 13 54.620 -8.423 2.189 96 HB1 ALA 13 HB1 ALA 13 55.837 -7.280 3.987 97 HB2 ALA 13 HB2 ALA 13 55.759 -6.245 2.561 98 HB3 ALA 13 HB3 ALA 13 57.249 -7.107 2.943 99 H THR 14 HN THR 14 54.420 -7.196 0.241 100 HA THR 14 HA THR 14 56.385 -7.982 -1.855 101 HB THR 14 HB THR 14 54.257 -8.545 -2.634 102 HG1 THR 14 HG1 THR 14 55.410 -6.466 -3.689 103 HG21 THR 14 HG21 THR 14 52.869 -7.734 -0.891 104 HG22 THR 14 HG22 THR 14 52.310 -6.889 -2.335 105 HG23 THR 14 HG23 THR 14 53.351 -6.061 -1.177 106 H ARG 15 HN ARG 15 54.382 -5.241 -2.450 107 HA ARG 15 HA ARG 15 56.783 -3.543 -2.679 108 HE ARG 15 HE ARG 15 52.835 -1.512 -4.589 109 HB2 ARG 15 HB2 ARG 15 55.151 -3.474 -4.492 110 HB3 ARG 15 HB1 ARG 15 53.869 -3.043 -3.362 111 HG2 ARG 15 HG2 ARG 15 56.202 -1.265 -3.194 112 HG3 ARG 15 HG1 ARG 15 55.415 -1.234 -4.773 113 HD2 ARG 15 HD2 ARG 15 53.923 -0.943 -2.153 114 HD3 ARG 15 HD1 ARG 15 54.477 0.425 -3.118 115 HH11 ARG 15 HH21 ARG 15 53.012 1.342 -2.662 116 HH12 ARG 15 HH22 ARG 15 51.508 1.982 -3.236 117 HH21 ARG 15 HH11 ARG 15 50.870 -0.692 -5.349 118 HH22 ARG 15 HH12 ARG 15 50.296 0.831 -4.756 119 H VAL 16 HN VAL 16 57.200 -1.757 -1.381 120 HA VAL 16 HA VAL 16 55.225 -1.112 0.764 121 HB VAL 16 HB VAL 16 57.270 -0.877 2.305 122 HG11 VAL 16 HG11 VAL 16 55.769 -2.661 2.747 123 HG12 VAL 16 HG12 VAL 16 57.350 -3.433 2.629 124 HG13 VAL 16 HG13 VAL 16 56.225 -3.517 1.274 125 HG21 VAL 16 HG21 VAL 16 58.851 -1.072 0.283 126 HG22 VAL 16 HG22 VAL 16 58.506 -2.801 0.326 127 HG23 VAL 16 HG23 VAL 16 59.273 -2.020 1.709 128 H MET 17 HN MET 17 58.123 0.386 1.412 129 HA MET 17 HA MET 17 58.674 2.675 1.299 130 HB2 MET 17 HB2 MET 17 58.148 1.935 -1.591 131 HB3 MET 17 HB1 MET 17 58.846 3.480 -1.106 132 HG2 MET 17 HG2 MET 17 60.024 0.857 -0.188 133 HG3 MET 17 HG1 MET 17 60.493 1.597 -1.719 134 HE1 MET 17 HE1 MET 17 62.713 1.035 -0.144 135 HE2 MET 17 HE2 MET 17 63.601 2.514 0.215 136 HE3 MET 17 HE3 MET 17 62.944 2.258 -1.400 137 H GLY 18 HN GLY 18 57.308 4.132 -1.176 138 HA2 GLY 18 HA2 GLY 18 54.888 4.921 0.387 139 HA3 GLY 18 HA1 GLY 18 55.729 5.973 -0.754 140 H GLY 19 HN GLY 19 55.474 5.560 -3.029 141 HA2 GLY 19 HA2 GLY 19 53.612 3.461 -3.895 142 HA3 GLY 19 HA1 GLY 19 52.993 5.106 -4.061 143 HA PRO 20 HA PRO 20 54.882 5.700 -8.001 144 HB2 PRO 20 HB2 PRO 20 56.257 8.095 -6.842 145 HB3 PRO 20 HB1 PRO 20 55.262 7.965 -8.305 146 HG2 PRO 20 HG2 PRO 20 54.321 9.061 -6.063 147 HG3 PRO 20 HG1 PRO 20 53.291 8.102 -7.138 148 HD2 PRO 20 HD2 PRO 20 54.401 7.384 -4.466 149 HD3 PRO 20 HD1 PRO 20 52.911 6.825 -5.258 150 H1U RCY 21 H1U RCY 21 62.662 -2.568 -7.858 151 H1S RCY 21 H1S RCY 21 60.259 0.894 -7.317 152 HB1 RCY 21 HB1 RCY 21 58.546 1.683 -7.538 153 HB2 RCY 21 HB2 RCY 21 57.441 2.159 -6.250 154 HA RCY 21 HA RCY 21 59.038 4.402 -6.533 155 HN1 RCY 21 HN1 RCY 21 56.289 3.746 -7.368 156 H THR 22 HN THR 22 60.525 5.035 -8.014 157 HA THR 22 HA THR 22 60.051 5.058 -10.818 158 HB THR 22 HB THR 22 62.586 5.424 -10.939 159 HG1 THR 22 HG1 THR 22 63.563 5.735 -8.913 160 HG21 THR 22 HG21 THR 22 61.161 7.342 -10.884 161 HG22 THR 22 HG22 THR 22 62.399 7.621 -9.659 162 HG23 THR 22 HG23 THR 22 60.785 7.097 -9.178 163 HA PRO 23 HA PRO 23 60.888 0.944 -12.222 164 HB2 PRO 23 HB2 PRO 23 62.826 2.103 -14.174 165 HB3 PRO 23 HB1 PRO 23 61.418 1.064 -14.463 166 HG2 PRO 23 HG2 PRO 23 61.385 3.676 -15.021 167 HG3 PRO 23 HG1 PRO 23 59.947 2.820 -14.443 168 HD2 PRO 23 HD2 PRO 23 61.712 4.732 -12.981 169 HD3 PRO 23 HD1 PRO 23 59.977 4.409 -12.770 170 H ARG 24 HN ARG 24 63.426 0.168 -13.465 171 HA ARG 24 HA ARG 24 65.411 0.593 -11.295 172 HE ARG 24 HE ARG 24 63.309 -5.083 -13.538 173 HB2 ARG 24 HB2 ARG 24 65.851 -1.934 -11.366 174 HB3 ARG 24 HB1 ARG 24 64.389 -1.415 -10.526 175 HG2 ARG 24 HG2 ARG 24 63.007 -1.975 -12.411 176 HG3 ARG 24 HG1 ARG 24 64.416 -2.236 -13.440 177 HD2 ARG 24 HD2 ARG 24 65.060 -4.193 -12.207 178 HD3 ARG 24 HD1 ARG 24 63.881 -3.855 -10.939 179 HH11 ARG 24 HH21 ARG 24 62.158 -3.349 -10.790 180 HH12 ARG 24 HH22 ARG 24 60.516 -3.865 -10.986 181 HH21 ARG 24 HH11 ARG 24 61.172 -5.767 -13.810 182 HH22 ARG 24 HH12 ARG 24 59.958 -5.234 -12.696 183 H LYS 25 HN LYS 25 65.830 1.834 -13.574 184 HA LYS 25 HA LYS 25 67.057 0.233 -15.648 185 HB2 LYS 25 HB2 LYS 25 66.087 2.469 -16.072 186 HB3 LYS 25 HB1 LYS 25 67.289 3.197 -15.012 187 HG2 LYS 25 HG2 LYS 25 68.424 1.465 -17.117 188 HG3 LYS 25 HG1 LYS 25 67.602 2.903 -17.725 189 HD2 LYS 25 HD2 LYS 25 69.066 4.360 -16.656 190 HD3 LYS 25 HD1 LYS 25 69.496 3.181 -15.416 191 HE2 LYS 25 HE2 LYS 25 71.401 3.334 -16.850 192 HE3 LYS 25 HE1 LYS 25 70.597 1.825 -17.281 193 HZ1 LYS 25 HZ1 LYS 25 70.902 4.262 -18.813 194 HZ2 LYS 25 HZ2 LYS 25 69.355 3.564 -18.884 195 HZ3 LYS 25 HZ3 LYS 25 70.719 2.661 -19.343 196 H GLY 26 HN GLY 26 69.532 1.113 -16.156 197 HA2 GLY 26 HA2 GLY 26 71.293 -0.219 -14.525 198 HA3 GLY 26 HA1 GLY 26 71.771 1.235 -15.400 199 HA PRO 27 HA PRO 27 72.204 1.400 -10.555 200 HB2 PRO 27 HB2 PRO 27 74.525 2.863 -11.789 201 HB3 PRO 27 HB1 PRO 27 74.468 1.917 -10.288 202 HG2 PRO 27 HG2 PRO 27 75.451 0.927 -12.585 203 HG3 PRO 27 HG1 PRO 27 74.633 -0.079 -11.380 204 HD2 PRO 27 HD2 PRO 27 73.727 0.663 -14.070 205 HD3 PRO 27 HD1 PRO 27 73.082 -0.579 -12.976 206 HA PRO 28 HA PRO 28 70.251 5.311 -9.891 207 HB2 PRO 28 HB2 PRO 28 72.780 6.061 -8.451 208 HB3 PRO 28 HB1 PRO 28 71.092 6.285 -7.949 209 HG2 PRO 28 HG2 PRO 28 72.608 4.290 -7.000 210 HG3 PRO 28 HG1 PRO 28 70.867 4.111 -7.266 211 HD2 PRO 28 HD2 PRO 28 73.103 2.882 -8.747 212 HD3 PRO 28 HD1 PRO 28 71.391 2.409 -8.701 213 H LYS 29 HN LYS 29 70.521 7.667 -10.353 214 HA LYS 29 HA LYS 29 71.475 8.274 -12.872 215 HB2 LYS 29 HB2 LYS 29 70.116 9.765 -11.318 216 HB3 LYS 29 HB1 LYS 29 71.643 10.234 -10.571 217 HG2 LYS 29 HG2 LYS 29 72.452 11.211 -12.584 218 HG3 LYS 29 HG1 LYS 29 71.197 10.437 -13.553 219 HD2 LYS 29 HD2 LYS 29 69.481 11.782 -12.345 220 HD3 LYS 29 HD1 LYS 29 70.775 12.608 -11.477 221 HE2 LYS 29 HE2 LYS 29 70.216 14.021 -13.325 222 HE3 LYS 29 HE1 LYS 29 71.733 13.231 -13.757 223 HZ1 LYS 29 HZ1 LYS 29 69.225 13.095 -15.057 224 HZ2 LYS 29 HZ2 LYS 29 69.710 11.538 -14.581 225 HZ3 LYS 29 HZ3 LYS 29 70.724 12.483 -15.564 226 H1U RCY 30 H1U RCY 30 82.824 8.869 -10.832 227 H1S RCY 30 H1S RCY 30 78.815 9.260 -10.453 228 HB1 RCY 30 HB1 RCY 30 76.198 8.697 -10.930 229 HB2 RCY 30 HB2 RCY 30 75.154 10.102 -10.716 230 HA RCY 30 HA RCY 30 75.648 10.348 -13.352 231 HN1 RCY 30 HN1 RCY 30 73.355 9.796 -13.410 232 H LYS 31 HN LYS 31 74.227 7.568 -13.979 233 HA LYS 31 HA LYS 31 74.906 5.464 -14.791 234 HB2 LYS 31 HB2 LYS 31 77.159 7.235 -15.780 235 HB3 LYS 31 HB1 LYS 31 76.768 5.636 -16.415 236 HG2 LYS 31 HG2 LYS 31 74.687 6.362 -17.281 237 HG3 LYS 31 HG1 LYS 31 74.703 7.835 -16.309 238 HD2 LYS 31 HD2 LYS 31 76.698 8.611 -17.600 239 HD3 LYS 31 HD1 LYS 31 76.545 7.187 -18.629 240 HE2 LYS 31 HE2 LYS 31 74.762 9.587 -18.437 241 HE3 LYS 31 HE1 LYS 31 75.332 8.729 -19.869 242 HZ1 LYS 31 HZ1 LYS 31 73.836 6.973 -19.477 243 HZ2 LYS 31 HZ2 LYS 31 72.931 8.397 -19.275 244 HZ3 LYS 31 HZ3 LYS 31 73.459 7.523 -17.917 245 H GLN 32 HN GLN 32 77.261 4.193 -15.129 246 HA GLN 32 HA GLN 32 78.290 3.984 -12.341 247 HB2 GLN 32 HB2 GLN 32 77.402 1.923 -13.339 248 HB3 GLN 32 HB1 GLN 32 78.513 2.084 -14.698 249 HG2 GLN 32 HG2 GLN 32 79.707 2.134 -11.967 250 HG3 GLN 32 HG1 GLN 32 79.103 0.582 -12.548 251 HE21 GLN 32 HE21 GLN 32 79.742 0.474 -15.184 252 HE22 GLN 32 HE22 GLN 32 81.405 0.694 -15.439 253 H ARG 33 HN ARG 33 79.812 5.695 -12.375 254 HA ARG 33 HA ARG 33 82.194 5.196 -14.119 255 HE ARG 33 HE ARG 33 79.269 7.881 -17.308 256 HB2 ARG 33 HB2 ARG 33 80.981 7.871 -13.353 257 HB3 ARG 33 HB1 ARG 33 82.525 7.671 -14.183 258 HG2 ARG 33 HG2 ARG 33 81.229 6.323 -15.939 259 HG3 ARG 33 HG1 ARG 33 79.766 6.963 -15.190 260 HD2 ARG 33 HD2 ARG 33 80.764 9.283 -15.494 261 HD3 ARG 33 HD1 ARG 33 82.007 8.527 -16.492 262 HH11 ARG 33 HH21 ARG 33 81.975 10.003 -17.539 263 HH12 ARG 33 HH22 ARG 33 81.536 10.609 -19.101 264 HH21 ARG 33 HH11 ARG 33 78.679 8.660 -19.347 265 HH22 ARG 33 HH12 ARG 33 79.669 9.849 -20.124 266 H GLN 34 HN GLN 34 82.958 3.996 -12.228 267 HA GLN 34 HA GLN 34 83.236 5.047 -9.624 268 HB2 GLN 34 HB2 GLN 34 85.566 3.471 -10.287 269 HB3 GLN 34 HB1 GLN 34 84.192 3.031 -9.276 270 HG2 GLN 34 HG2 GLN 34 84.296 1.448 -11.101 271 HG3 GLN 34 HG1 GLN 34 82.909 2.502 -11.383 272 HE21 GLN 34 HE21 GLN 34 82.799 3.078 -13.552 273 HE22 GLN 34 HE22 GLN 34 84.135 3.411 -14.544 274 H THR 35 HN THR 35 85.118 5.696 -12.519 275 HA THR 35 HA THR 35 86.811 7.289 -12.884 276 HB THR 35 HB THR 35 86.414 8.454 -10.152 277 HG1 THR 35 HG1 THR 35 84.537 8.891 -12.207 278 HG21 THR 35 HG21 THR 35 86.698 10.522 -11.319 279 HG22 THR 35 HG22 THR 35 86.396 9.759 -12.880 280 HG23 THR 35 HG23 THR 35 87.884 9.409 -12.001 281 H ARG 36 HN ARG 36 86.887 4.850 -10.797 282 HA ARG 36 HA ARG 36 88.433 4.034 -9.178 283 HE ARG 36 HE ARG 36 92.453 5.858 -13.133 284 HB2 ARG 36 HB2 ARG 36 90.318 3.183 -10.332 285 HB3 ARG 36 HB1 ARG 36 89.039 3.285 -11.535 286 HG2 ARG 36 HG2 ARG 36 90.201 4.786 -12.770 287 HG3 ARG 36 HG1 ARG 36 90.537 5.784 -11.355 288 HD2 ARG 36 HD2 ARG 36 92.377 4.258 -10.721 289 HD3 ARG 36 HD1 ARG 36 92.052 3.279 -12.151 290 HH11 ARG 36 HH21 ARG 36 94.147 3.580 -11.176 291 HH12 ARG 36 HH22 ARG 36 95.716 4.114 -11.679 292 HH21 ARG 36 HH11 ARG 36 94.492 6.568 -13.802 293 HH22 ARG 36 HH12 ARG 36 95.912 5.806 -13.166 294 H GLN 37 HN GLN 37 88.150 6.898 -8.846 295 HA GLN 37 HA GLN 37 90.960 7.673 -8.161 296 HB2 GLN 37 HB2 GLN 37 89.859 9.279 -9.638 297 HB3 GLN 37 HB1 GLN 37 88.478 9.377 -8.544 298 HG2 GLN 37 HG2 GLN 37 89.772 10.428 -6.840 299 HG3 GLN 37 HG1 GLN 37 91.289 10.037 -7.651 300 HE21 GLN 37 HE21 GLN 37 92.025 12.195 -8.035 301 HE22 GLN 37 HE22 GLN 37 91.191 13.294 -9.025 302 H1U RCY 38 H1U RCY 38 83.988 2.630 -1.390 303 H1S RCY 38 H1S RCY 38 85.119 3.807 -5.975 304 HB1 RCY 38 HB1 RCY 38 85.958 7.817 -4.695 305 HB2 RCY 38 HB2 RCY 38 86.314 6.359 -3.770 306 HA RCY 38 HA RCY 38 88.219 8.148 -4.298 307 HN1 RCY 38 HN1 RCY 38 87.824 6.915 -6.904 308 H LYS 39 HN LYS 39 90.015 5.887 -5.652 309 HA LYS 39 HA LYS 39 90.072 3.999 -3.352 310 HB2 LYS 39 HB2 LYS 39 91.363 3.975 -6.091 311 HB3 LYS 39 HB1 LYS 39 91.775 2.805 -4.837 312 HG2 LYS 39 HG2 LYS 39 88.881 3.235 -5.466 313 HG3 LYS 39 HG1 LYS 39 89.848 2.292 -6.600 314 HD2 LYS 39 HD2 LYS 39 90.471 0.723 -4.883 315 HD3 LYS 39 HD1 LYS 39 89.768 1.738 -3.624 316 HE2 LYS 39 HE2 LYS 39 87.539 1.353 -4.449 317 HE3 LYS 39 HE1 LYS 39 88.154 0.556 -5.897 318 HZ1 LYS 39 HZ1 LYS 39 89.086 -1.182 -4.499 319 HZ2 LYS 39 HZ2 LYS 39 87.408 -1.053 -4.264 320 HZ3 LYS 39 HZ3 LYS 39 88.482 -0.418 -3.110 321 H SER 40 HN SER 40 91.702 4.099 -1.844 322 HA SER 40 HA SER 40 94.338 5.078 -2.369 323 HG SER 40 HG SER 40 93.723 8.046 -0.132 324 HB2 SER 40 HB2 SER 40 93.678 7.298 -2.483 325 HB3 SER 40 HB1 SER 40 92.301 7.051 -1.414 326 H LYS 41 HN LYS 41 91.768 4.499 -0.017 327 HA LYS 41 HA LYS 41 93.799 3.977 2.090 328 HB2 LYS 41 HB2 LYS 41 91.643 3.639 3.490 329 HB3 LYS 41 HB1 LYS 41 92.053 5.275 2.977 330 HG2 LYS 41 HG2 LYS 41 90.353 5.361 1.406 331 HG3 LYS 41 HG1 LYS 41 90.359 3.616 1.152 332 HD2 LYS 41 HD2 LYS 41 89.368 3.312 3.416 333 HD3 LYS 41 HD1 LYS 41 89.288 5.065 3.591 334 HE2 LYS 41 HE2 LYS 41 87.652 5.286 1.925 335 HE3 LYS 41 HE1 LYS 41 88.043 3.727 1.201 336 HZ1 LYS 41 HZ1 LYS 41 85.973 4.091 2.805 337 HZ2 LYS 41 HZ2 LYS 41 87.144 3.687 3.968 338 HZ3 LYS 41 HZ3 LYS 41 86.800 2.614 2.696 339 HA PRO 42 HA PRO 42 93.097 -0.352 0.903 340 HB2 PRO 42 HB2 PRO 42 95.327 -1.382 2.060 341 HB3 PRO 42 HB1 PRO 42 95.383 -0.485 0.530 342 HG2 PRO 42 HG2 PRO 42 96.098 0.411 3.269 343 HG3 PRO 42 HG1 PRO 42 96.853 0.804 1.717 344 HD2 PRO 42 HD2 PRO 42 95.081 2.465 3.081 345 HD3 PRO 42 HD1 PRO 42 95.440 2.574 1.345 346 HA PRO 43 HA PRO 43 91.194 -2.023 4.529 347 HB2 PRO 43 HB2 PRO 43 91.854 -4.711 4.321 348 HB3 PRO 43 HB1 PRO 43 90.555 -3.920 3.410 349 HG2 PRO 43 HG2 PRO 43 93.312 -4.616 2.549 350 HG3 PRO 43 HG1 PRO 43 91.792 -4.680 1.641 351 HD2 PRO 43 HD2 PRO 43 93.600 -2.678 1.291 352 HD3 PRO 43 HD1 PRO 43 91.849 -2.415 1.117 353 H LYS 44 HN LYS 44 91.764 -2.164 6.674 354 HA LYS 44 HA LYS 44 94.283 -3.455 7.479 355 HB2 LYS 44 HB2 LYS 44 93.807 -0.479 7.717 356 HB3 LYS 44 HB1 LYS 44 94.927 -1.333 8.776 357 HG2 LYS 44 HG2 LYS 44 95.942 -2.277 6.575 358 HG3 LYS 44 HG1 LYS 44 95.088 -0.947 5.792 359 HD2 LYS 44 HD2 LYS 44 96.206 0.528 7.637 360 HD3 LYS 44 HD1 LYS 44 97.320 -0.829 7.806 361 HE2 LYS 44 HE2 LYS 44 98.425 0.369 6.166 362 HE3 LYS 44 HE1 LYS 44 97.392 -0.635 5.149 363 HZ1 LYS 44 HZ1 LYS 44 97.112 1.550 4.387 364 HZ2 LYS 44 HZ2 LYS 44 96.974 2.181 5.959 365 HZ3 LYS 44 HZ3 LYS 44 95.725 1.229 5.310 366 H LYS 45 HN LYS 45 91.191 -3.279 7.933 367 HA LYS 45 HA LYS 45 89.837 -3.938 9.742 368 HB2 LYS 45 HB2 LYS 45 92.143 -5.005 10.491 369 HB3 LYS 45 HB1 LYS 45 92.140 -3.686 11.659 370 HG2 LYS 45 HG2 LYS 45 90.984 -5.290 12.867 371 HG3 LYS 45 HG1 LYS 45 89.638 -4.494 12.052 372 HD2 LYS 45 HD2 LYS 45 89.730 -6.193 10.255 373 HD3 LYS 45 HD1 LYS 45 91.051 -7.002 11.098 374 HE2 LYS 45 HE2 LYS 45 88.359 -6.491 12.382 375 HE3 LYS 45 HE1 LYS 45 88.736 -7.978 11.513 376 HZ1 LYS 45 HZ1 LYS 45 90.138 -8.674 13.119 377 HZ2 LYS 45 HZ2 LYS 45 89.175 -7.676 14.100 378 HZ3 LYS 45 HZ3 LYS 45 90.666 -7.111 13.512 379 H GLY 46 HN GLY 46 89.057 -1.678 9.278 380 HA2 GLY 46 HA2 GLY 46 89.913 0.347 11.265 381 HA3 GLY 46 HA1 GLY 46 88.847 0.642 9.891 382 H VAL 47 HN VAL 47 86.705 -0.684 10.047 383 HA VAL 47 HA VAL 47 84.692 -1.023 11.194 384 HB VAL 47 HB VAL 47 86.388 -1.511 13.653 385 HG11 VAL 47 HG11 VAL 47 84.533 -3.245 13.982 386 HG12 VAL 47 HG12 VAL 47 83.687 -2.442 12.659 387 HG13 VAL 47 HG13 VAL 47 84.051 -1.556 14.139 388 HG21 VAL 47 HG21 VAL 47 86.478 -3.892 12.861 389 HG22 VAL 47 HG22 VAL 47 87.402 -2.786 11.844 390 HG23 VAL 47 HG23 VAL 47 85.820 -3.358 11.313 391 H GLN 48 HN GLN 48 86.754 1.481 11.801 392 HA GLN 48 HA GLN 48 85.202 2.673 14.016 393 HB2 GLN 48 HB2 GLN 48 87.296 4.166 12.460 394 HB3 GLN 48 HB1 GLN 48 86.901 4.263 14.177 395 HG2 GLN 48 HG2 GLN 48 87.707 1.777 14.246 396 HG3 GLN 48 HG1 GLN 48 88.510 2.174 12.727 397 HE21 GLN 48 HE21 GLN 48 88.629 2.606 16.189 398 HE22 GLN 48 HE22 GLN 48 90.024 3.572 16.222 399 H GLY 49 HN GLY 49 84.448 2.214 10.946 400 HA2 GLY 49 HA2 GLY 49 82.578 3.308 9.874 401 HA3 GLY 49 HA1 GLY 49 82.960 4.779 10.771 402 H1U RCY 50 H1U RCY 50 81.569 0.768 11.355 403 H1S RCY 50 H1S RCY 50 84.077 1.915 7.611 404 HB1 RCY 50 HB1 RCY 50 85.483 4.516 5.273 405 HB2 RCY 50 HB2 RCY 50 84.674 5.605 6.400 406 HA RCY 50 HA RCY 50 86.478 3.270 6.988 407 HN1 RCY 50 HN1 RCY 50 85.168 2.744 8.862 408 H GLY 51 HN GLY 51 85.271 6.500 7.928 409 HA2 GLY 51 HA2 GLY 51 87.719 7.241 9.275 410 HA3 GLY 51 HA1 GLY 51 87.676 7.892 7.635 411 H ASP 52 HN ASP 52 84.801 7.404 9.602 412 HA ASP 52 HA ASP 52 83.236 8.937 10.431 413 HB2 ASP 52 HB2 ASP 52 85.424 9.681 11.636 414 HB3 ASP 52 HB1 ASP 52 85.417 11.019 10.486 415 H ASP 53 HN ASP 53 83.704 8.694 7.553 416 HA ASP 53 HA ASP 53 83.168 11.476 6.608 417 HB2 ASP 53 HB2 ASP 53 84.969 10.004 5.522 418 HB3 ASP 53 HB1 ASP 53 83.639 9.040 4.880 419 H ILE 54 HN ILE 54 81.011 11.905 6.678 420 HA ILE 54 HA ILE 54 79.135 9.810 5.637 421 HB ILE 54 HB ILE 54 77.523 11.372 7.196 422 HG12 ILE 54 HG12 ILE 54 79.816 12.482 7.893 423 HG13 ILE 54 HG11 ILE 54 78.596 12.144 9.121 424 HG21 ILE 54 HG21 ILE 54 77.429 9.011 7.379 425 HG22 ILE 54 HG22 ILE 54 77.944 9.549 8.977 426 HG23 ILE 54 HG23 ILE 54 79.126 8.896 7.843 427 HD11 ILE 54 HD11 ILE 54 79.758 10.313 9.966 428 HD12 ILE 54 HD12 ILE 54 81.091 11.365 9.491 429 HD13 ILE 54 HD13 ILE 54 80.611 10.025 8.450 430 HA PRO 55 HA PRO 55 78.670 13.623 3.088 431 HB2 PRO 55 HB2 PRO 55 79.180 12.550 0.672 432 HB3 PRO 55 HB1 PRO 55 80.490 12.961 1.798 433 HG2 PRO 55 HG2 PRO 55 79.334 10.309 1.138 434 HG3 PRO 55 HG1 PRO 55 81.006 10.754 1.514 435 HD2 PRO 55 HD2 PRO 55 79.166 9.613 3.314 436 HD3 PRO 55 HD1 PRO 55 80.699 10.397 3.751 437 H GLY 56 HN GLY 56 77.501 10.363 2.163 438 HA2 GLY 56 HA2 GLY 56 75.147 11.522 0.835 439 HA3 GLY 56 HA1 GLY 56 75.527 9.805 0.957 440 H MET 57 HN MET 57 75.638 11.699 3.869 441 HA MET 57 HA MET 57 73.587 10.051 5.083 442 HB2 MET 57 HB2 MET 57 75.393 10.915 6.458 443 HB3 MET 57 HB1 MET 57 74.967 12.575 6.044 444 HG2 MET 57 HG2 MET 57 72.821 10.869 7.219 445 HG3 MET 57 HG1 MET 57 74.100 11.419 8.302 446 HE1 MET 57 HE1 MET 57 71.451 13.900 9.322 447 HE2 MET 57 HE2 MET 57 72.395 12.456 9.680 448 HE3 MET 57 HE3 MET 57 70.958 12.333 8.667 449 H GLU 58 HN GLU 58 73.415 12.683 3.020 450 HA GLU 58 HA GLU 58 70.673 13.380 4.016 451 HB2 GLU 58 HB2 GLU 58 72.774 15.127 2.709 452 HB3 GLU 58 HB1 GLU 58 71.084 15.607 2.858 453 HG2 GLU 58 HG2 GLU 58 72.755 14.740 5.228 454 HG3 GLU 58 HG1 GLU 58 72.613 16.424 4.722 455 H GLY 59 HN GLY 59 72.332 11.782 1.650 456 HA2 GLY 59 HA2 GLY 59 70.672 12.673 -0.620 457 HA3 GLY 59 HA1 GLY 59 71.926 11.434 -0.679 458 H1U RCY 60 H1U RCY 60 74.767 3.636 0.609 459 H1S RCY 60 H1S RCY 60 71.907 6.296 2.606 460 HB1 RCY 60 HB1 RCY 60 69.144 7.461 0.623 461 HB2 RCY 60 HB2 RCY 60 68.778 7.458 2.348 462 HA RCY 60 HA RCY 60 67.906 9.366 0.544 463 HN1 RCY 60 HN1 RCY 60 69.961 10.910 1.991 464 H GLY 61 HN GLY 61 69.069 8.792 3.836 465 HA2 GLY 61 HA2 GLY 61 67.017 10.531 5.008 466 HA3 GLY 61 HA1 GLY 61 66.691 8.806 5.185 467 H THR 62 HN THR 62 67.401 8.000 7.088 468 HA THR 62 HA THR 62 70.034 8.903 8.136 469 HB THR 62 HB THR 62 69.205 9.405 10.300 470 HG1 THR 62 HG1 THR 62 67.628 7.543 10.026 471 HG21 THR 62 HG21 THR 62 67.622 11.183 9.917 472 HG22 THR 62 HG22 THR 62 67.053 10.425 8.431 473 HG23 THR 62 HG23 THR 62 68.679 11.103 8.508 474 H ASP 63 HN ASP 63 68.356 6.407 7.061 475 HA ASP 63 HA ASP 63 68.554 4.475 9.200 476 HB2 ASP 63 HB2 ASP 63 67.078 4.184 7.209 477 HB3 ASP 63 HB1 ASP 63 68.515 3.996 6.204 478 H ILE 64 HN ILE 64 70.973 6.171 8.240 479 HA ILE 64 HA ILE 64 72.900 3.898 8.279 480 HB ILE 64 HB ILE 64 73.208 6.349 6.519 481 HG12 ILE 64 HG12 ILE 64 72.357 3.525 5.799 482 HG13 ILE 64 HG11 ILE 64 71.344 4.966 5.708 483 HG21 ILE 64 HG21 ILE 64 75.087 5.150 5.580 484 HG22 ILE 64 HG22 ILE 64 74.693 3.707 6.514 485 HG23 ILE 64 HG23 ILE 64 75.277 5.156 7.333 486 HD11 ILE 64 HD11 ILE 64 73.221 5.910 4.171 487 HD12 ILE 64 HD12 ILE 64 72.107 4.720 3.497 488 HD13 ILE 64 HD13 ILE 64 73.721 4.227 4.011 489 H THR 65 HN THR 65 73.937 7.149 7.749 490 HA THR 65 HA THR 65 75.054 8.688 9.090 491 HB THR 65 HB THR 65 74.280 9.038 11.299 492 HG1 THR 65 HG1 THR 65 72.915 6.773 11.763 493 HG21 THR 65 HG21 THR 65 72.519 8.935 9.326 494 HG22 THR 65 HG22 THR 65 71.984 9.171 10.990 495 HG23 THR 65 HG23 THR 65 71.886 7.573 10.251 496 H VAL 66 HN VAL 66 74.960 5.616 10.939 497 HA VAL 66 HA VAL 66 77.870 5.349 10.600 498 HB VAL 66 HB VAL 66 77.634 5.014 13.353 499 HG11 VAL 66 HG11 VAL 66 78.901 7.189 13.437 500 HG12 VAL 66 HG12 VAL 66 78.552 7.399 11.721 501 HG13 VAL 66 HG13 VAL 66 79.539 6.040 12.261 502 HG21 VAL 66 HG21 VAL 66 76.502 6.970 14.211 503 HG22 VAL 66 HG22 VAL 66 75.373 6.132 13.146 504 HG23 VAL 66 HG23 VAL 66 76.211 7.578 12.581 505 H ILE 67 HN ILE 67 74.770 4.117 11.660 506 HA ILE 67 HA ILE 67 75.894 1.355 11.455 507 HB ILE 67 HB ILE 67 73.997 2.373 13.592 508 HG12 ILE 67 HG12 ILE 67 76.617 2.645 13.690 509 HG13 ILE 67 HG11 ILE 67 75.747 2.058 15.108 510 HG21 ILE 67 HG21 ILE 67 74.292 -0.066 14.400 511 HG22 ILE 67 HG22 ILE 67 74.825 -0.406 12.754 512 HG23 ILE 67 HG23 ILE 67 73.199 0.213 13.044 513 HD11 ILE 67 HD11 ILE 67 76.385 -0.178 14.726 514 HD12 ILE 67 HD12 ILE 67 77.843 0.735 14.336 515 HD13 ILE 67 HD13 ILE 67 76.805 0.135 13.042 516 H1U RCY 68 H1U RCY 68 73.545 0.970 0.878 517 H1S RCY 68 H1S RCY 68 71.404 0.808 4.280 518 HB1 RCY 68 HB1 RCY 68 74.269 0.564 7.243 519 HB2 RCY 68 HB2 RCY 68 73.303 2.035 7.206 520 HA RCY 68 HA RCY 68 72.048 1.381 9.129 521 HN1 RCY 68 HN1 RCY 68 74.960 0.903 9.472 522 HA PRO 69 HA PRO 69 70.712 -2.639 10.450 523 HB2 PRO 69 HB2 PRO 69 69.552 -2.727 7.676 524 HB3 PRO 69 HB1 PRO 69 68.806 -3.191 9.219 525 HG2 PRO 69 HG2 PRO 69 68.315 -0.830 8.027 526 HG3 PRO 69 HG1 PRO 69 68.320 -1.030 9.785 527 HD2 PRO 69 HD2 PRO 69 70.221 0.444 8.101 528 HD3 PRO 69 HD1 PRO 69 70.021 0.491 9.866 529 H TRP 70 HN TRP 70 71.905 -2.478 7.067 530 HA TRP 70 HA TRP 70 72.823 -5.257 7.198 531 HD1 TRP 70 HD1 TRP 70 72.389 -6.688 4.388 532 HE1 TRP 70 HE1 TRP 70 69.923 -6.922 3.676 533 HE3 TRP 70 HE3 TRP 70 70.706 -1.994 5.485 534 HZ2 TRP 70 HZ2 TRP 70 67.546 -5.327 3.585 535 HZ3 TRP 70 HZ3 TRP 70 68.343 -1.379 5.078 536 HH2 TRP 70 HH2 TRP 70 66.761 -3.035 4.131 537 HB2 TRP 70 HB2 TRP 70 73.133 -3.061 5.147 538 HB3 TRP 70 HB1 TRP 70 73.900 -4.636 4.963 539 H GLU 71 HN GLU 71 74.111 -2.130 7.958 540 HA GLU 71 HA GLU 71 76.861 -2.427 7.607 541 HB2 GLU 71 HB2 GLU 71 75.836 -0.399 8.581 542 HB3 GLU 71 HB1 GLU 71 75.482 -1.290 10.060 543 HG2 GLU 71 HG2 GLU 71 78.300 -1.309 9.066 544 HG3 GLU 71 HG1 GLU 71 77.704 0.169 9.823 545 H ALA 72 HN ALA 72 74.773 -4.344 9.476 546 HA ALA 72 HA ALA 72 76.430 -5.231 11.587 547 HB1 ALA 72 HB1 ALA 72 74.498 -6.950 10.007 548 HB2 ALA 72 HB2 ALA 72 73.989 -5.784 11.229 549 HB3 ALA 72 HB3 ALA 72 74.988 -7.165 11.688 550 H1U RCY 73 H1U RCY 73 78.533 -4.478 0.593 551 H1S RCY 73 H1S RCY 73 80.833 -4.253 4.621 552 HB1 RCY 73 HB1 RCY 73 77.848 -5.988 6.390 553 HB2 RCY 73 HB2 RCY 73 78.985 -7.297 6.073 554 HA RCY 73 HA RCY 73 78.392 -7.931 8.196 555 HN1 RCY 73 HN1 RCY 73 77.306 -5.241 8.444 556 H ASN 74 HN ASN 74 79.639 -4.762 9.172 557 HA ASN 74 HA ASN 74 81.634 -4.171 10.254 558 HB2 ASN 74 HB2 ASN 74 80.566 -5.901 11.832 559 HB3 ASN 74 HB1 ASN 74 81.740 -7.044 11.178 560 HD21 ASN 74 HD21 ASN 74 83.871 -6.940 11.991 561 HD22 ASN 74 HD22 ASN 74 84.419 -5.741 13.061 562 H HIS 75 HN HIS 75 83.412 -3.812 9.021 563 HA HIS 75 HA HIS 75 85.417 -4.262 7.881 564 HD1 HIS 75 HD1 HIS 75 87.425 -8.165 7.903 565 HD2 HIS 75 HD2 HIS 75 87.606 -4.064 8.644 566 HE1 HIS 75 HE1 HIS 75 89.825 -7.468 7.487 567 HE2 HIS 75 HE2 HIS 75 89.948 -4.974 7.935 568 HB2 HIS 75 HB2 HIS 75 85.385 -6.159 9.767 569 HB3 HIS 75 HB1 HIS 75 85.158 -7.207 8.369 570 H1U RCY 76 H1U RCY 76 81.441 -3.889 -2.705 571 H1S RCY 76 H1S RCY 76 81.177 -4.147 2.052 572 HB1 RCY 76 HB1 RCY 76 83.509 -5.489 3.764 573 HB2 RCY 76 HB2 RCY 76 82.253 -4.861 4.831 574 HA RCY 76 HA RCY 76 81.876 -7.424 5.369 575 HN1 RCY 76 HN1 RCY 76 82.831 -6.648 7.365 576 H GLU 77 HN GLU 77 85.359 -6.852 5.437 577 HA GLU 77 HA GLU 77 86.186 -8.411 3.252 578 HB2 GLU 77 HB2 GLU 77 87.526 -8.415 5.970 579 HB3 GLU 77 HB1 GLU 77 88.288 -8.703 4.407 580 HG2 GLU 77 HG2 GLU 77 87.484 -6.351 3.762 581 HG3 GLU 77 HG1 GLU 77 87.161 -6.114 5.480 582 H LEU 78 HN LEU 78 84.530 -10.103 3.172 583 HA LEU 78 HA LEU 78 84.956 -12.288 5.169 584 HG LEU 78 HG LEU 78 83.302 -10.810 6.011 585 HB2 LEU 78 HB2 LEU 78 82.583 -11.525 3.462 586 HB3 LEU 78 HB1 LEU 78 82.701 -13.098 4.250 587 HD11 LEU 78 HD11 LEU 78 80.502 -11.251 4.928 588 HD12 LEU 78 HD12 LEU 78 81.498 -9.820 4.660 589 HD13 LEU 78 HD13 LEU 78 80.917 -10.199 6.281 590 HD21 LEU 78 HD21 LEU 78 81.349 -13.117 6.264 591 HD22 LEU 78 HD22 LEU 78 81.994 -12.128 7.573 592 HD23 LEU 78 HD23 LEU 78 83.057 -13.225 6.691 593 H HIS 79 HN HIS 79 83.495 -14.099 3.211 594 HA HIS 79 HA HIS 79 85.288 -14.273 0.905 595 HD1 HIS 79 HD1 HIS 79 86.301 -15.113 4.976 596 HD2 HIS 79 HD2 HIS 79 88.394 -14.361 1.447 597 HE1 HIS 79 HE1 HIS 79 88.324 -13.734 5.624 598 HE2 HIS 79 HE2 HIS 79 89.606 -13.270 3.485 599 HB2 HIS 79 HB2 HIS 79 85.413 -16.463 3.000 600 HB3 HIS 79 HB1 HIS 79 86.318 -16.395 1.489 601 H GLU 80 HN GLU 80 82.392 -14.909 2.456 602 HA GLU 80 HA GLU 80 81.523 -16.623 0.184 603 HB2 GLU 80 HB2 GLU 80 80.132 -17.911 1.989 604 HB3 GLU 80 HB1 GLU 80 81.829 -18.332 1.757 605 HG2 GLU 80 HG2 GLU 80 81.331 -18.088 4.153 606 HG3 GLU 80 HG1 GLU 80 82.448 -16.828 3.627 607 H LEU 81 HN LEU 81 81.037 -13.931 2.073 608 HA LEU 81 HA LEU 81 78.080 -13.981 1.775 609 HG LEU 81 HG LEU 81 77.572 -11.736 4.481 610 HB2 LEU 81 HB2 LEU 81 79.700 -13.025 3.798 611 HB3 LEU 81 HB1 LEU 81 79.341 -11.554 2.901 612 HD11 LEU 81 HD11 LEU 81 77.038 -11.688 1.841 613 HD12 LEU 81 HD12 LEU 81 75.767 -11.648 3.062 614 HD13 LEU 81 HD13 LEU 81 76.183 -13.168 2.271 615 HD21 LEU 81 HD21 LEU 81 77.774 -13.908 5.363 616 HD22 LEU 81 HD22 LEU 81 77.690 -14.663 3.771 617 HD23 LEU 81 HD23 LEU 81 76.237 -13.980 4.501 618 H ALA 82 HN ALA 82 80.850 -11.851 0.985 619 HA ALA 82 HA ALA 82 79.480 -10.001 -0.631 620 HB1 ALA 82 HB1 ALA 82 81.917 -9.889 0.031 621 HB2 ALA 82 HB2 ALA 82 81.612 -9.514 -1.666 622 HB3 ALA 82 HB3 ALA 82 82.246 -11.095 -1.213 623 H GLN 83 HN GLN 83 81.202 -12.935 -1.782 624 HA GLN 83 HA GLN 83 80.920 -14.101 -3.817 625 HB2 GLN 83 HB2 GLN 83 78.851 -14.612 -2.328 626 HB3 GLN 83 HB1 GLN 83 77.979 -13.541 -3.422 627 HG2 GLN 83 HG2 GLN 83 78.756 -14.928 -5.345 628 HG3 GLN 83 HG1 GLN 83 79.517 -16.036 -4.203 629 HE21 GLN 83 HE21 GLN 83 78.124 -17.416 -2.916 630 HE22 GLN 83 HE22 GLN 83 76.465 -17.570 -3.242 631 H TYR 84 HN TYR 84 78.139 -13.219 -5.183 632 HA TYR 84 HA TYR 84 78.706 -10.598 -6.230 633 HD1 TYR 84 HD2 TYR 84 79.048 -14.610 -7.490 634 HD2 TYR 84 HD1 TYR 84 78.417 -11.288 -10.139 635 HE1 TYR 84 HE2 TYR 84 77.922 -16.115 -9.109 636 HE2 TYR 84 HE1 TYR 84 77.291 -12.792 -11.758 637 HH TYR 84 HH TYR 84 76.094 -14.964 -11.721 638 HB2 TYR 84 HB2 TYR 84 79.776 -11.017 -8.216 639 HB3 TYR 84 HB1 TYR 84 80.375 -12.417 -7.334 640 H GLY 85 HN GLY 85 76.518 -12.252 -5.143 641 HA2 GLY 85 HA2 GLY 85 74.570 -11.834 -7.372 642 HA3 GLY 85 HA1 GLY 85 74.504 -13.305 -6.400 643 H ILE 86 HN ILE 86 75.525 -10.974 -4.326 644 HA ILE 86 HA ILE 86 72.878 -10.768 -3.087 645 HB ILE 86 HB ILE 86 74.696 -11.074 -1.562 646 HG12 ILE 86 HG12 ILE 86 74.532 -8.146 -1.183 647 HG13 ILE 86 HG11 ILE 86 72.974 -8.959 -1.338 648 HG21 ILE 86 HG21 ILE 86 76.474 -9.076 -1.611 649 HG22 ILE 86 HG22 ILE 86 76.006 -9.038 -3.311 650 HG23 ILE 86 HG23 ILE 86 76.673 -10.514 -2.613 651 HD11 ILE 86 HD11 ILE 86 73.788 -8.835 1.029 652 HD12 ILE 86 HD12 ILE 86 75.168 -9.829 0.564 653 HD13 ILE 86 HD13 ILE 86 73.535 -10.488 0.467 654 H1U RCY 87 H1U RCY 87 80.896 -1.892 -2.772 655 H1S RCY 87 H1S RCY 87 76.657 -3.931 -4.023 656 HB1 RCY 87 HB1 RCY 87 73.957 -5.495 -1.964 657 HB2 RCY 87 HB2 RCY 87 74.290 -4.420 -3.317 658 HA RCY 87 HA RCY 87 72.736 -6.296 -3.909 659 HN1 RCY 87 HN1 RCY 87 74.870 -7.964 -2.805 Start of MODEL 97 1 HA MET 1 HA MET 1 71.484 -6.478 17.079 2 HB2 MET 1 HB2 MET 1 69.884 -5.181 18.624 3 HB3 MET 1 HB1 MET 1 71.025 -5.547 19.918 4 HG2 MET 1 HG2 MET 1 72.840 -4.490 18.610 5 HG3 MET 1 HG1 MET 1 71.686 -4.102 17.334 6 HE1 MET 1 HE1 MET 1 72.185 -1.555 17.378 7 HE2 MET 1 HE2 MET 1 73.477 -1.994 18.492 8 HE3 MET 1 HE3 MET 1 72.415 -0.641 18.874 9 H ASN 2 HN ASN 2 71.672 -8.739 19.614 10 HA ASN 2 HA ASN 2 74.606 -8.755 19.424 11 HB2 ASN 2 HB2 ASN 2 74.808 -8.702 21.963 12 HB3 ASN 2 HB1 ASN 2 74.408 -7.160 21.206 13 HD21 ASN 2 HD21 ASN 2 73.675 -7.302 23.828 14 HD22 ASN 2 HD22 ASN 2 72.004 -7.552 23.995 15 H LEU 3 HN LEU 3 74.322 -10.875 18.607 16 HA LEU 3 HA LEU 3 74.164 -13.199 18.771 17 HG LEU 3 HG LEU 3 76.250 -13.277 19.697 18 HB2 LEU 3 HB2 LEU 3 74.673 -12.293 21.536 19 HB3 LEU 3 HB1 LEU 3 73.864 -13.854 21.439 20 HD11 LEU 3 HD11 LEU 3 76.264 -14.206 22.583 21 HD12 LEU 3 HD12 LEU 3 77.029 -12.755 21.936 22 HD13 LEU 3 HD13 LEU 3 77.643 -14.348 21.493 23 HD21 LEU 3 HD21 LEU 3 76.407 -15.648 19.593 24 HD22 LEU 3 HD22 LEU 3 74.680 -15.309 19.475 25 HD23 LEU 3 HD23 LEU 3 75.369 -15.857 21.003 26 H GLU 4 HN GLU 4 71.825 -11.311 20.636 27 HA GLU 4 HA GLU 4 69.847 -13.499 20.469 28 HB2 GLU 4 HB2 GLU 4 69.223 -10.724 21.456 29 HB3 GLU 4 HB1 GLU 4 68.551 -12.266 21.983 30 HG2 GLU 4 HG2 GLU 4 71.037 -12.764 22.707 31 HG3 GLU 4 HG1 GLU 4 71.179 -11.006 22.696 32 HA PRO 5 HA PRO 5 67.815 -12.459 16.695 33 HB2 PRO 5 HB2 PRO 5 65.427 -11.887 18.424 34 HB3 PRO 5 HB1 PRO 5 65.525 -12.826 16.921 35 HG2 PRO 5 HG2 PRO 5 65.434 -13.997 19.328 36 HG3 PRO 5 HG1 PRO 5 66.350 -14.683 17.978 37 HD2 PRO 5 HD2 PRO 5 67.356 -13.440 20.459 38 HD3 PRO 5 HD1 PRO 5 68.197 -14.508 19.316 39 HA PRO 6 HA PRO 6 68.141 -7.961 16.927 40 HB2 PRO 6 HB2 PRO 6 68.061 -7.431 14.267 41 HB3 PRO 6 HB1 PRO 6 69.486 -8.147 15.047 42 HG2 PRO 6 HG2 PRO 6 67.355 -9.468 13.443 43 HG3 PRO 6 HG1 PRO 6 69.103 -9.760 13.458 44 HD2 PRO 6 HD2 PRO 6 67.271 -11.340 14.795 45 HD3 PRO 6 HD1 PRO 6 68.979 -11.189 15.264 46 H LYS 7 HN LYS 7 66.714 -6.158 16.712 47 HA LYS 7 HA LYS 7 63.893 -6.815 16.578 48 HB2 LYS 7 HB2 LYS 7 63.586 -4.336 16.809 49 HB3 LYS 7 HB1 LYS 7 64.635 -5.025 18.048 50 HG2 LYS 7 HG2 LYS 7 66.618 -4.374 16.687 51 HG3 LYS 7 HG1 LYS 7 65.537 -3.604 15.526 52 HD2 LYS 7 HD2 LYS 7 66.052 -1.782 16.862 53 HD3 LYS 7 HD1 LYS 7 64.623 -2.385 17.702 54 HE2 LYS 7 HE2 LYS 7 66.309 -3.833 19.056 55 HE3 LYS 7 HE1 LYS 7 67.522 -2.703 18.455 56 HZ1 LYS 7 HZ1 LYS 7 66.898 -1.277 20.006 57 HZ2 LYS 7 HZ2 LYS 7 65.703 -2.350 20.559 58 HZ3 LYS 7 HZ3 LYS 7 65.336 -1.218 19.347 59 H ALA 8 HN ALA 8 65.214 -7.520 14.153 60 HA ALA 8 HA ALA 8 63.553 -5.992 12.261 61 HB1 ALA 8 HB1 ALA 8 66.546 -6.212 11.823 62 HB2 ALA 8 HB2 ALA 8 65.741 -4.751 12.394 63 HB3 ALA 8 HB3 ALA 8 65.381 -5.386 10.788 64 H GLU 9 HN GLU 9 62.550 -7.613 11.174 65 HA GLU 9 HA GLU 9 62.190 -9.711 10.177 66 HB2 GLU 9 HB2 GLU 9 64.824 -8.712 9.230 67 HB3 GLU 9 HB1 GLU 9 64.527 -10.431 8.969 68 HG2 GLU 9 HG2 GLU 9 63.758 -8.983 7.066 69 HG3 GLU 9 HG1 GLU 9 62.468 -9.953 7.777 70 H1U RCY 10 H1U RCY 10 60.092 -11.788 8.804 71 H1S RCY 10 H1S RCY 10 59.527 -11.284 12.814 72 HB1 RCY 10 HB1 RCY 10 62.857 -10.991 14.929 73 HB2 RCY 10 HB2 RCY 10 63.072 -12.713 15.242 74 HA RCY 10 HA RCY 10 64.460 -12.071 13.343 75 HN1 RCY 10 HN1 RCY 10 62.047 -10.677 12.367 76 H ARG 11 HN ARG 11 63.944 -13.056 10.880 77 HA ARG 11 HA ARG 11 63.385 -15.850 11.410 78 HE ARG 11 HE ARG 11 59.013 -17.999 8.295 79 HB2 ARG 11 HB2 ARG 11 61.070 -15.085 11.298 80 HB3 ARG 11 HB1 ARG 11 61.386 -14.260 9.771 81 HG2 ARG 11 HG2 ARG 11 61.510 -16.241 8.566 82 HG3 ARG 11 HG1 ARG 11 62.005 -17.186 9.971 83 HD2 ARG 11 HD2 ARG 11 59.744 -17.005 10.913 84 HD3 ARG 11 HD1 ARG 11 59.239 -16.016 9.543 85 HH11 ARG 11 HH21 ARG 11 61.078 -18.427 11.022 86 HH12 ARG 11 HH22 ARG 11 61.265 -20.132 10.781 87 HH21 ARG 11 HH11 ARG 11 59.244 -20.223 7.964 88 HH22 ARG 11 HH12 ARG 11 60.227 -21.149 9.049 89 H SER 12 HN SER 12 65.012 -13.550 9.855 90 HA SER 12 HA SER 12 65.144 -14.069 7.136 91 HG SER 12 HG SER 12 66.587 -11.877 7.037 92 HB2 SER 12 HB2 SER 12 67.359 -13.554 9.124 93 HB3 SER 12 HB1 SER 12 67.675 -13.694 7.397 94 H ALA 13 HN ALA 13 65.006 -16.087 6.249 95 HA ALA 13 HA ALA 13 67.164 -18.006 6.818 96 HB1 ALA 13 HB1 ALA 13 64.256 -18.787 7.192 97 HB2 ALA 13 HB2 ALA 13 65.412 -18.555 8.503 98 HB3 ALA 13 HB3 ALA 13 65.650 -19.858 7.338 99 H THR 14 HN THR 14 64.536 -16.819 4.896 100 HA THR 14 HA THR 14 65.672 -18.094 2.518 101 HB THR 14 HB THR 14 64.171 -19.866 3.466 102 HG1 THR 14 HG1 THR 14 64.430 -19.144 1.080 103 HG21 THR 14 HG21 THR 14 61.926 -17.950 2.809 104 HG22 THR 14 HG22 THR 14 62.561 -18.150 4.442 105 HG23 THR 14 HG23 THR 14 61.811 -19.515 3.615 106 H ARG 15 HN ARG 15 64.169 -17.476 0.557 107 HA ARG 15 HA ARG 15 64.024 -14.687 0.348 108 HE ARG 15 HE ARG 15 65.560 -13.173 -1.878 109 HB2 ARG 15 HB2 ARG 15 63.243 -16.948 -1.242 110 HB3 ARG 15 HB1 ARG 15 61.930 -15.774 -1.274 111 HG2 ARG 15 HG2 ARG 15 63.497 -15.277 -3.079 112 HG3 ARG 15 HG1 ARG 15 63.581 -13.998 -1.867 113 HD2 ARG 15 HD2 ARG 15 65.426 -15.964 -1.036 114 HD3 ARG 15 HD1 ARG 15 65.673 -15.776 -2.772 115 HH11 ARG 15 HH21 ARG 15 67.280 -16.016 -0.961 116 HH12 ARG 15 HH22 ARG 15 68.672 -15.154 -0.397 117 HH21 ARG 15 HH11 ARG 15 67.368 -12.029 -1.147 118 HH22 ARG 15 HH12 ARG 15 68.721 -12.896 -0.502 119 H VAL 16 HN VAL 16 62.907 -13.420 1.761 120 HA VAL 16 HA VAL 16 60.053 -14.146 2.329 121 HB VAL 16 HB VAL 16 60.458 -12.774 4.474 122 HG11 VAL 16 HG11 VAL 16 61.671 -15.481 3.914 123 HG12 VAL 16 HG12 VAL 16 60.147 -15.110 4.720 124 HG13 VAL 16 HG13 VAL 16 61.677 -14.788 5.536 125 HG21 VAL 16 HG21 VAL 16 63.336 -13.477 3.838 126 HG22 VAL 16 HG22 VAL 16 62.740 -12.560 5.221 127 HG23 VAL 16 HG23 VAL 16 62.660 -11.865 3.602 128 H MET 17 HN MET 17 61.991 -12.056 0.671 129 HA MET 17 HA MET 17 60.596 -9.560 1.301 130 HB2 MET 17 HB2 MET 17 62.493 -10.303 -0.948 131 HB3 MET 17 HB1 MET 17 61.883 -8.674 -0.651 132 HG2 MET 17 HG2 MET 17 63.349 -10.281 1.453 133 HG3 MET 17 HG1 MET 17 64.170 -9.179 0.348 134 HE1 MET 17 HE1 MET 17 63.921 -8.996 3.768 135 HE2 MET 17 HE2 MET 17 64.234 -7.265 3.677 136 HE3 MET 17 HE3 MET 17 65.061 -8.362 2.574 137 H GLY 18 HN GLY 18 60.820 -9.400 -1.932 138 HA2 GLY 18 HA2 GLY 18 57.936 -9.697 -2.290 139 HA3 GLY 18 HA1 GLY 18 59.086 -9.186 -3.527 140 H GLY 19 HN GLY 19 57.768 -10.707 -4.894 141 HA2 GLY 19 HA2 GLY 19 57.847 -13.549 -4.394 142 HA3 GLY 19 HA1 GLY 19 57.451 -12.790 -5.938 143 HA PRO 20 HA PRO 20 61.385 -15.189 -6.611 144 HB2 PRO 20 HB2 PRO 20 60.433 -14.487 -9.367 145 HB3 PRO 20 HB1 PRO 20 61.110 -16.013 -8.764 146 HG2 PRO 20 HG2 PRO 20 58.498 -15.724 -9.176 147 HG3 PRO 20 HG1 PRO 20 59.119 -16.670 -7.813 148 HD2 PRO 20 HD2 PRO 20 57.833 -13.981 -7.801 149 HD3 PRO 20 HD1 PRO 20 57.860 -15.226 -6.532 150 H1U RCY 21 H1U RCY 21 64.260 -6.349 -5.579 151 H1S RCY 21 H1S RCY 21 65.693 -8.987 -8.302 152 HB1 RCY 21 HB1 RCY 21 65.616 -13.431 -7.524 153 HB2 RCY 21 HB2 RCY 21 64.709 -12.386 -6.432 154 HA RCY 21 HA RCY 21 63.414 -11.517 -8.361 155 HN1 RCY 21 HN1 RCY 21 63.221 -14.500 -8.288 156 H THR 22 HN THR 22 64.146 -10.750 -10.297 157 HA THR 22 HA THR 22 65.163 -12.755 -12.275 158 HB THR 22 HB THR 22 63.022 -11.731 -12.920 159 HG1 THR 22 HG1 THR 22 65.241 -10.712 -14.362 160 HG21 THR 22 HG21 THR 22 64.242 -9.043 -13.236 161 HG22 THR 22 HG22 THR 22 63.857 -9.535 -11.586 162 HG23 THR 22 HG23 THR 22 62.589 -9.487 -12.811 163 HA PRO 23 HA PRO 23 68.959 -10.351 -11.283 164 HB2 PRO 23 HB2 PRO 23 69.889 -12.255 -13.406 165 HB3 PRO 23 HB1 PRO 23 70.661 -11.814 -11.870 166 HG2 PRO 23 HG2 PRO 23 69.389 -14.128 -12.160 167 HG3 PRO 23 HG1 PRO 23 69.310 -13.220 -10.640 168 HD2 PRO 23 HD2 PRO 23 67.211 -13.565 -12.735 169 HD3 PRO 23 HD1 PRO 23 67.029 -13.320 -10.984 170 H ARG 24 HN ARG 24 67.868 -8.494 -12.400 171 HA ARG 24 HA ARG 24 69.338 -7.655 -14.714 172 HE ARG 24 HE ARG 24 68.695 -10.321 -19.197 173 HB2 ARG 24 HB2 ARG 24 67.075 -9.288 -15.278 174 HB3 ARG 24 HB1 ARG 24 66.628 -7.641 -15.716 175 HG2 ARG 24 HG2 ARG 24 68.609 -7.425 -17.117 176 HG3 ARG 24 HG1 ARG 24 69.184 -9.012 -16.602 177 HD2 ARG 24 HD2 ARG 24 67.039 -9.982 -17.543 178 HD3 ARG 24 HD1 ARG 24 66.716 -8.397 -18.246 179 HH11 ARG 24 HH21 ARG 24 67.742 -7.018 -18.944 180 HH12 ARG 24 HH22 ARG 24 68.625 -6.517 -20.347 181 HH21 ARG 24 HH11 ARG 24 69.854 -9.687 -21.030 182 HH22 ARG 24 HH12 ARG 24 69.821 -8.028 -21.528 183 H LYS 25 HN LYS 25 69.606 -5.712 -13.616 184 HA LYS 25 HA LYS 25 67.648 -4.293 -12.161 185 HB2 LYS 25 HB2 LYS 25 69.872 -3.075 -13.824 186 HB3 LYS 25 HB1 LYS 25 69.074 -2.340 -12.434 187 HG2 LYS 25 HG2 LYS 25 69.999 -3.953 -10.930 188 HG3 LYS 25 HG1 LYS 25 70.545 -4.977 -12.258 189 HD2 LYS 25 HD2 LYS 25 71.554 -2.161 -11.778 190 HD3 LYS 25 HD1 LYS 25 72.383 -3.612 -11.212 191 HE2 LYS 25 HE2 LYS 25 72.030 -4.301 -13.793 192 HE3 LYS 25 HE1 LYS 25 72.099 -2.549 -13.977 193 HZ1 LYS 25 HZ1 LYS 25 74.105 -3.318 -12.191 194 HZ2 LYS 25 HZ2 LYS 25 74.281 -2.647 -13.742 195 HZ3 LYS 25 HZ3 LYS 25 74.214 -4.333 -13.546 196 H GLY 26 HN GLY 26 68.780 -3.226 -15.380 197 HA2 GLY 26 HA2 GLY 26 66.200 -3.215 -16.610 198 HA3 GLY 26 HA1 GLY 26 66.517 -1.616 -15.934 199 HA PRO 27 HA PRO 27 68.123 -1.716 -20.331 200 HB2 PRO 27 HB2 PRO 27 67.681 1.195 -19.785 201 HB3 PRO 27 HB1 PRO 27 67.295 0.250 -21.237 202 HG2 PRO 27 HG2 PRO 27 65.406 0.986 -19.514 203 HG3 PRO 27 HG1 PRO 27 65.349 -0.580 -20.341 204 HD2 PRO 27 HD2 PRO 27 66.009 0.018 -17.493 205 HD3 PRO 27 HD1 PRO 27 65.267 -1.435 -18.200 206 HA PRO 28 HA PRO 28 72.419 -0.930 -19.640 207 HB2 PRO 28 HB2 PRO 28 72.136 1.245 -21.692 208 HB3 PRO 28 HB1 PRO 28 73.369 -0.026 -21.564 209 HG2 PRO 28 HG2 PRO 28 71.318 -0.186 -23.287 210 HG3 PRO 28 HG1 PRO 28 72.025 -1.613 -22.514 211 HD2 PRO 28 HD2 PRO 28 69.382 -0.382 -22.066 212 HD3 PRO 28 HD1 PRO 28 69.950 -2.011 -21.640 213 H LYS 29 HN LYS 29 73.320 0.230 -17.983 214 HA LYS 29 HA LYS 29 73.208 3.097 -17.800 215 HB2 LYS 29 HB2 LYS 29 70.878 2.667 -17.128 216 HB3 LYS 29 HB1 LYS 29 71.437 1.556 -15.877 217 HG2 LYS 29 HG2 LYS 29 72.488 3.310 -14.648 218 HG3 LYS 29 HG1 LYS 29 72.338 4.440 -15.995 219 HD2 LYS 29 HD2 LYS 29 69.964 4.579 -15.735 220 HD3 LYS 29 HD1 LYS 29 69.938 3.207 -14.627 221 HE2 LYS 29 HE2 LYS 29 71.414 5.782 -14.031 222 HE3 LYS 29 HE1 LYS 29 69.756 5.480 -13.514 223 HZ1 LYS 29 HZ1 LYS 29 72.237 4.151 -12.662 224 HZ2 LYS 29 HZ2 LYS 29 70.765 3.307 -12.580 225 HZ3 LYS 29 HZ3 LYS 29 70.965 4.757 -11.717 226 H1U RCY 30 H1U RCY 30 79.511 3.703 -10.177 227 H1S RCY 30 H1S RCY 30 79.549 2.146 -13.908 228 HB1 RCY 30 HB1 RCY 30 77.100 0.425 -16.806 229 HB2 RCY 30 HB2 RCY 30 76.125 0.006 -15.397 230 HA RCY 30 HA RCY 30 76.153 2.312 -14.628 231 HN1 RCY 30 HN1 RCY 30 75.443 2.839 -17.404 232 H LYS 31 HN LYS 31 77.628 3.877 -14.225 233 HA LYS 31 HA LYS 31 78.819 5.578 -16.074 234 HB2 LYS 31 HB2 LYS 31 80.019 4.620 -13.457 235 HB3 LYS 31 HB1 LYS 31 80.533 6.052 -14.345 236 HG2 LYS 31 HG2 LYS 31 78.983 7.184 -13.145 237 HG3 LYS 31 HG1 LYS 31 77.778 6.375 -14.148 238 HD2 LYS 31 HD2 LYS 31 77.586 4.559 -12.541 239 HD3 LYS 31 HD1 LYS 31 78.894 5.235 -11.570 240 HE2 LYS 31 HE2 LYS 31 76.364 6.777 -12.179 241 HE3 LYS 31 HE1 LYS 31 76.525 5.746 -10.757 242 HZ1 LYS 31 HZ1 LYS 31 77.579 8.350 -11.226 243 HZ2 LYS 31 HZ2 LYS 31 78.810 7.257 -10.802 244 HZ3 LYS 31 HZ3 LYS 31 77.474 7.477 -9.775 245 H GLN 32 HN GLN 32 79.693 4.585 -17.913 246 HA GLN 32 HA GLN 32 81.351 2.285 -17.947 247 HB2 GLN 32 HB2 GLN 32 80.349 3.335 -19.978 248 HB3 GLN 32 HB1 GLN 32 81.491 4.671 -19.818 249 HG2 GLN 32 HG2 GLN 32 83.376 3.125 -20.064 250 HG3 GLN 32 HG1 GLN 32 82.265 1.757 -20.153 251 HE21 GLN 32 HE21 GLN 32 80.653 1.840 -22.038 252 HE22 GLN 32 HE22 GLN 32 81.165 2.560 -23.487 253 H ARG 33 HN ARG 33 83.161 2.122 -16.690 254 HA ARG 33 HA ARG 33 85.357 2.583 -15.979 255 HE ARG 33 HE ARG 33 89.464 3.640 -19.243 256 HB2 ARG 33 HB2 ARG 33 85.350 3.690 -18.430 257 HB3 ARG 33 HB1 ARG 33 85.472 5.170 -17.480 258 HG2 ARG 33 HG2 ARG 33 87.382 4.037 -16.214 259 HG3 ARG 33 HG1 ARG 33 87.356 2.803 -17.475 260 HD2 ARG 33 HD2 ARG 33 87.452 4.879 -19.096 261 HD3 ARG 33 HD1 ARG 33 88.103 5.703 -17.679 262 HH11 ARG 33 HH21 ARG 33 89.120 5.262 -16.220 263 HH12 ARG 33 HH22 ARG 33 90.733 4.909 -15.696 264 HH21 ARG 33 HH11 ARG 33 91.572 3.169 -18.576 265 HH22 ARG 33 HH12 ARG 33 92.121 3.724 -17.030 266 H GLN 34 HN GLN 34 85.767 3.415 -13.982 267 HA GLN 34 HA GLN 34 83.996 5.104 -12.599 268 HB2 GLN 34 HB2 GLN 34 86.975 4.771 -12.131 269 HB3 GLN 34 HB1 GLN 34 85.820 5.416 -10.963 270 HG2 GLN 34 HG2 GLN 34 84.682 3.327 -10.783 271 HG3 GLN 34 HG1 GLN 34 85.498 2.678 -12.206 272 HE21 GLN 34 HE21 GLN 34 85.882 3.383 -8.765 273 HE22 GLN 34 HE22 GLN 34 87.370 2.586 -8.583 274 H THR 35 HN THR 35 85.203 7.258 -11.519 275 HA THR 35 HA THR 35 86.231 8.938 -13.752 276 HB THR 35 HB THR 35 84.634 10.757 -13.054 277 HG1 THR 35 HG1 THR 35 83.863 8.682 -11.366 278 HG21 THR 35 HG21 THR 35 82.790 9.898 -14.329 279 HG22 THR 35 HG22 THR 35 83.214 8.233 -13.930 280 HG23 THR 35 HG23 THR 35 84.253 9.175 -14.999 281 H ARG 36 HN ARG 36 86.603 7.839 -10.673 282 HA ARG 36 HA ARG 36 87.800 8.601 -8.799 283 HE ARG 36 HE ARG 36 92.043 7.005 -9.985 284 HB2 ARG 36 HB2 ARG 36 89.202 10.454 -10.730 285 HB3 ARG 36 HB1 ARG 36 89.860 9.662 -9.298 286 HG2 ARG 36 HG2 ARG 36 89.422 7.445 -10.462 287 HG3 ARG 36 HG1 ARG 36 89.085 8.372 -11.924 288 HD2 ARG 36 HD2 ARG 36 91.371 7.873 -12.141 289 HD3 ARG 36 HD1 ARG 36 91.388 9.499 -11.460 290 HH11 ARG 36 HH21 ARG 36 91.642 10.425 -10.155 291 HH12 ARG 36 HH22 ARG 36 92.512 10.734 -8.689 292 HH21 ARG 36 HH11 ARG 36 93.181 7.388 -8.070 293 HH22 ARG 36 HH12 ARG 36 93.384 9.014 -7.509 294 H GLN 37 HN GLN 37 85.434 10.278 -9.990 295 HA GLN 37 HA GLN 37 85.718 12.449 -8.013 296 HB2 GLN 37 HB2 GLN 37 85.404 12.943 -10.986 297 HB3 GLN 37 HB1 GLN 37 85.010 14.154 -9.765 298 HG2 GLN 37 HG2 GLN 37 87.364 13.833 -8.856 299 HG3 GLN 37 HG1 GLN 37 87.707 12.892 -10.308 300 HE21 GLN 37 HE21 GLN 37 85.743 14.735 -11.833 301 HE22 GLN 37 HE22 GLN 37 86.656 16.134 -12.135 302 H1U RCY 38 H1U RCY 38 81.486 4.905 -3.894 303 H1S RCY 38 H1S RCY 38 79.516 8.247 -6.018 304 HB1 RCY 38 HB1 RCY 38 81.520 12.210 -5.470 305 HB2 RCY 38 HB2 RCY 38 82.311 10.647 -5.647 306 HA RCY 38 HA RCY 38 81.516 10.782 -8.125 307 HN1 RCY 38 HN1 RCY 38 83.900 11.788 -6.898 308 H LYS 39 HN LYS 39 80.405 13.203 -6.103 309 HA LYS 39 HA LYS 39 79.128 14.611 -8.287 310 HB2 LYS 39 HB2 LYS 39 79.124 14.729 -5.323 311 HB3 LYS 39 HB1 LYS 39 78.757 16.250 -6.131 312 HG2 LYS 39 HG2 LYS 39 77.405 13.711 -7.016 313 HG3 LYS 39 HG1 LYS 39 76.799 14.596 -5.615 314 HD2 LYS 39 HD2 LYS 39 76.842 16.678 -7.129 315 HD3 LYS 39 HD1 LYS 39 77.019 15.549 -8.472 316 HE2 LYS 39 HE2 LYS 39 74.693 15.810 -8.341 317 HE3 LYS 39 HE1 LYS 39 74.963 14.342 -7.402 318 HZ1 LYS 39 HZ1 LYS 39 74.911 15.616 -5.387 319 HZ2 LYS 39 HZ2 LYS 39 73.504 15.949 -6.280 320 HZ3 LYS 39 HZ3 LYS 39 74.779 17.071 -6.249 321 H SER 40 HN SER 40 82.150 14.597 -8.046 322 HA SER 40 HA SER 40 83.799 16.124 -8.756 323 HG SER 40 HG SER 40 83.938 18.805 -9.466 324 HB2 SER 40 HB2 SER 40 81.565 17.312 -9.685 325 HB3 SER 40 HB1 SER 40 82.014 18.495 -8.459 326 H LYS 41 HN LYS 41 83.152 15.437 -5.958 327 HA LYS 41 HA LYS 41 83.595 17.872 -4.400 328 HB2 LYS 41 HB2 LYS 41 83.627 14.932 -3.650 329 HB3 LYS 41 HB1 LYS 41 83.795 16.245 -2.488 330 HG2 LYS 41 HG2 LYS 41 81.432 15.889 -4.354 331 HG3 LYS 41 HG1 LYS 41 81.447 15.424 -2.653 332 HD2 LYS 41 HD2 LYS 41 82.273 17.948 -2.358 333 HD3 LYS 41 HD1 LYS 41 81.391 18.149 -3.873 334 HE2 LYS 41 HE2 LYS 41 80.292 17.009 -1.286 335 HE3 LYS 41 HE1 LYS 41 79.873 18.562 -2.010 336 HZ1 LYS 41 HZ1 LYS 41 78.311 16.628 -2.430 337 HZ2 LYS 41 HZ2 LYS 41 79.510 16.014 -3.466 338 HZ3 LYS 41 HZ3 LYS 41 78.799 17.524 -3.785 339 HA PRO 42 HA PRO 42 88.012 17.948 -4.609 340 HB2 PRO 42 HB2 PRO 42 88.609 18.696 -1.992 341 HB3 PRO 42 HB1 PRO 42 88.125 19.813 -3.281 342 HG2 PRO 42 HG2 PRO 42 86.505 18.650 -1.082 343 HG3 PRO 42 HG1 PRO 42 86.432 20.262 -1.813 344 HD2 PRO 42 HD2 PRO 42 84.607 18.327 -2.387 345 HD3 PRO 42 HD1 PRO 42 85.099 19.551 -3.580 346 HA PRO 43 HA PRO 43 89.766 14.165 -3.183 347 HB2 PRO 43 HB2 PRO 43 92.227 15.025 -2.160 348 HB3 PRO 43 HB1 PRO 43 91.887 14.678 -3.865 349 HG2 PRO 43 HG2 PRO 43 91.988 17.284 -2.452 350 HG3 PRO 43 HG1 PRO 43 92.479 16.869 -4.103 351 HD2 PRO 43 HD2 PRO 43 90.170 18.196 -3.594 352 HD3 PRO 43 HD1 PRO 43 90.310 17.040 -4.939 353 H LYS 44 HN LYS 44 90.180 12.913 -1.268 354 HA LYS 44 HA LYS 44 89.847 12.375 0.990 355 HB2 LYS 44 HB2 LYS 44 90.853 15.187 1.502 356 HB3 LYS 44 HB1 LYS 44 90.935 13.806 2.595 357 HG2 LYS 44 HG2 LYS 44 92.292 12.657 0.710 358 HG3 LYS 44 HG1 LYS 44 92.487 14.283 0.055 359 HD2 LYS 44 HD2 LYS 44 94.349 14.188 1.427 360 HD3 LYS 44 HD1 LYS 44 93.168 14.833 2.568 361 HE2 LYS 44 HE2 LYS 44 92.692 12.524 3.351 362 HE3 LYS 44 HE1 LYS 44 93.929 11.915 2.252 363 HZ1 LYS 44 HZ1 LYS 44 94.315 12.795 4.818 364 HZ2 LYS 44 HZ2 LYS 44 94.907 14.059 3.849 365 HZ3 LYS 44 HZ3 LYS 44 95.521 12.486 3.666 366 H LYS 45 HN LYS 45 87.498 12.449 0.534 367 HA LYS 45 HA LYS 45 86.061 14.892 1.342 368 HB2 LYS 45 HB2 LYS 45 84.071 13.144 1.003 369 HB3 LYS 45 HB1 LYS 45 84.876 13.886 -0.380 370 HG2 LYS 45 HG2 LYS 45 86.001 11.351 0.767 371 HG3 LYS 45 HG1 LYS 45 84.582 11.264 -0.277 372 HD2 LYS 45 HD2 LYS 45 86.799 12.985 -1.243 373 HD3 LYS 45 HD1 LYS 45 87.116 11.249 -1.233 374 HE2 LYS 45 HE2 LYS 45 84.553 12.337 -2.384 375 HE3 LYS 45 HE1 LYS 45 86.024 12.278 -3.355 376 HZ1 LYS 45 HZ1 LYS 45 86.009 9.832 -2.300 377 HZ2 LYS 45 HZ2 LYS 45 85.308 10.213 -3.800 378 HZ3 LYS 45 HZ3 LYS 45 84.340 10.116 -2.407 379 H GLY 46 HN GLY 46 84.917 11.703 2.249 380 HA2 GLY 46 HA2 GLY 46 84.797 12.614 5.068 381 HA3 GLY 46 HA1 GLY 46 83.940 11.225 4.399 382 H VAL 47 HN VAL 47 86.147 11.801 6.613 383 HA VAL 47 HA VAL 47 88.181 9.826 5.774 384 HB VAL 47 HB VAL 47 87.948 11.181 8.468 385 HG11 VAL 47 HG11 VAL 47 90.273 10.690 8.659 386 HG12 VAL 47 HG12 VAL 47 90.407 10.303 6.944 387 HG13 VAL 47 HG13 VAL 47 89.538 9.217 8.028 388 HG21 VAL 47 HG21 VAL 47 89.612 12.829 7.422 389 HG22 VAL 47 HG22 VAL 47 87.931 12.997 6.916 390 HG23 VAL 47 HG23 VAL 47 89.095 12.198 5.859 391 H GLN 48 HN GLN 48 86.451 10.172 8.883 392 HA GLN 48 HA GLN 48 86.522 7.307 9.327 393 HB2 GLN 48 HB2 GLN 48 85.737 9.705 10.801 394 HB3 GLN 48 HB1 GLN 48 84.599 8.385 11.064 395 HG2 GLN 48 HG2 GLN 48 86.452 8.319 12.705 396 HG3 GLN 48 HG1 GLN 48 86.456 6.888 11.674 397 HE21 GLN 48 HE21 GLN 48 87.476 9.820 10.122 398 HE22 GLN 48 HE22 GLN 48 89.142 9.500 10.144 399 H GLY 49 HN GLY 49 83.977 6.696 10.280 400 HA2 GLY 49 HA2 GLY 49 82.585 6.044 7.859 401 HA3 GLY 49 HA1 GLY 49 81.930 5.860 9.487 402 H1U RCY 50 H1U RCY 50 81.427 10.521 -0.859 403 H1S RCY 50 H1S RCY 50 81.821 10.763 3.580 404 HB1 RCY 50 HB1 RCY 50 81.473 11.206 5.811 405 HB2 RCY 50 HB2 RCY 50 80.217 10.092 5.283 406 HA RCY 50 HA RCY 50 81.251 10.519 7.948 407 HN1 RCY 50 HN1 RCY 50 82.506 8.279 6.942 408 H GLY 51 HN GLY 51 79.191 8.786 5.663 409 HA2 GLY 51 HA2 GLY 51 76.978 8.034 5.865 410 HA3 GLY 51 HA1 GLY 51 77.229 7.959 7.608 411 H ASP 52 HN ASP 52 76.598 9.718 8.886 412 HA ASP 52 HA ASP 52 74.402 11.252 8.156 413 HB2 ASP 52 HB2 ASP 52 75.503 10.980 10.472 414 HB3 ASP 52 HB1 ASP 52 76.515 12.350 10.013 415 H ASP 53 HN ASP 53 77.560 11.623 6.957 416 HA ASP 53 HA ASP 53 77.721 14.438 6.580 417 HB2 ASP 53 HB2 ASP 53 78.823 12.099 5.016 418 HB3 ASP 53 HB1 ASP 53 79.142 13.769 4.541 419 H ILE 54 HN ILE 54 77.794 13.200 3.462 420 HA ILE 54 HA ILE 54 75.891 14.915 2.386 421 HB ILE 54 HB ILE 54 75.680 13.160 0.511 422 HG12 ILE 54 HG12 ILE 54 77.737 11.510 0.829 423 HG13 ILE 54 HG11 ILE 54 77.379 11.751 2.539 424 HG21 ILE 54 HG21 ILE 54 78.106 13.492 -0.133 425 HG22 ILE 54 HG22 ILE 54 78.358 14.216 1.456 426 HG23 ILE 54 HG23 ILE 54 77.255 14.973 0.306 427 HD11 ILE 54 HD11 ILE 54 75.635 10.339 2.397 428 HD12 ILE 54 HD12 ILE 54 76.033 10.044 0.704 429 HD13 ILE 54 HD13 ILE 54 74.912 11.335 1.135 430 HA PRO 55 HA PRO 55 72.151 13.009 3.993 431 HB2 PRO 55 HB2 PRO 55 70.374 14.846 3.126 432 HB3 PRO 55 HB1 PRO 55 71.523 15.211 4.430 433 HG2 PRO 55 HG2 PRO 55 71.647 15.969 1.552 434 HG3 PRO 55 HG1 PRO 55 72.059 16.919 2.990 435 HD2 PRO 55 HD2 PRO 55 73.921 15.614 1.399 436 HD3 PRO 55 HD1 PRO 55 74.193 16.060 3.098 437 H GLY 56 HN GLY 56 73.090 11.687 1.739 438 HA2 GLY 56 HA2 GLY 56 72.374 10.480 -0.144 439 HA3 GLY 56 HA1 GLY 56 70.762 10.615 0.563 440 H MET 57 HN MET 57 73.017 12.035 -1.708 441 HA MET 57 HA MET 57 71.946 14.418 -2.498 442 HB2 MET 57 HB2 MET 57 73.131 12.141 -3.992 443 HB3 MET 57 HB1 MET 57 72.231 13.300 -4.970 444 HG2 MET 57 HG2 MET 57 74.613 13.941 -4.791 445 HG3 MET 57 HG1 MET 57 73.570 15.144 -4.034 446 HE1 MET 57 HE1 MET 57 76.875 13.392 -3.514 447 HE2 MET 57 HE2 MET 57 75.686 12.110 -3.730 448 HE3 MET 57 HE3 MET 57 76.543 12.259 -2.198 449 H GLU 58 HN GLU 58 70.347 11.316 -2.753 450 HA GLU 58 HA GLU 58 68.122 10.798 -3.285 451 HB2 GLU 58 HB2 GLU 58 67.853 12.996 -1.876 452 HB3 GLU 58 HB1 GLU 58 67.494 13.740 -3.434 453 HG2 GLU 58 HG2 GLU 58 65.794 11.870 -3.788 454 HG3 GLU 58 HG1 GLU 58 66.023 11.464 -2.087 455 H GLY 59 HN GLY 59 67.953 10.005 -5.327 456 HA2 GLY 59 HA2 GLY 59 67.107 11.607 -7.521 457 HA3 GLY 59 HA1 GLY 59 68.840 11.320 -7.688 458 H1U RCY 60 H1U RCY 60 75.008 4.664 -4.531 459 H1S RCY 60 H1S RCY 60 71.695 5.610 -7.857 460 HB1 RCY 60 HB1 RCY 60 69.700 6.651 -9.786 461 HB2 RCY 60 HB2 RCY 60 69.840 5.699 -8.308 462 HA RCY 60 HA RCY 60 67.663 7.293 -9.032 463 HN1 RCY 60 HN1 RCY 60 69.417 8.878 -7.245 464 H GLY 61 HN GLY 61 69.556 6.339 -6.166 465 HA2 GLY 61 HA2 GLY 61 67.119 5.412 -4.802 466 HA3 GLY 61 HA1 GLY 61 68.227 4.135 -5.308 467 H THR 62 HN THR 62 68.246 7.240 -3.526 468 HA THR 62 HA THR 62 69.875 5.969 -1.421 469 HB THR 62 HB THR 62 71.511 6.847 -3.120 470 HG1 THR 62 HG1 THR 62 71.324 7.912 -0.521 471 HG21 THR 62 HG21 THR 62 70.578 9.584 -2.250 472 HG22 THR 62 HG22 THR 62 69.955 8.807 -3.706 473 HG23 THR 62 HG23 THR 62 71.675 9.171 -3.568 474 H ASP 63 HN ASP 63 67.256 7.637 -2.107 475 HA ASP 63 HA ASP 63 67.290 10.052 -0.667 476 HB2 ASP 63 HB2 ASP 63 64.883 9.749 -0.362 477 HB3 ASP 63 HB1 ASP 63 65.338 9.210 -1.978 478 H ILE 64 HN ILE 64 67.794 6.882 0.488 479 HA ILE 64 HA ILE 64 67.171 7.702 3.291 480 HB ILE 64 HB ILE 64 67.658 4.949 2.140 481 HG12 ILE 64 HG12 ILE 64 65.470 6.318 1.632 482 HG13 ILE 64 HG11 ILE 64 65.339 4.638 2.154 483 HG21 ILE 64 HG21 ILE 64 68.300 4.752 4.374 484 HG22 ILE 64 HG22 ILE 64 66.572 4.416 4.481 485 HG23 ILE 64 HG23 ILE 64 67.189 6.012 4.910 486 HD11 ILE 64 HD11 ILE 64 63.880 6.466 3.344 487 HD12 ILE 64 HD12 ILE 64 65.375 6.836 4.204 488 HD13 ILE 64 HD13 ILE 64 64.669 5.224 4.316 489 H THR 65 HN THR 65 69.669 5.898 1.472 490 HA THR 65 HA THR 65 71.987 5.794 1.813 491 HB THR 65 HB THR 65 71.651 8.195 3.626 492 HG1 THR 65 HG1 THR 65 70.887 8.052 1.169 493 HG21 THR 65 HG21 THR 65 73.861 7.298 3.729 494 HG22 THR 65 HG22 THR 65 73.950 8.676 2.632 495 HG23 THR 65 HG23 THR 65 73.910 7.036 1.986 496 H VAL 66 HN VAL 66 70.701 7.028 4.926 497 HA VAL 66 HA VAL 66 72.335 5.538 6.620 498 HB VAL 66 HB VAL 66 69.445 5.728 7.374 499 HG11 VAL 66 HG11 VAL 66 71.970 6.677 8.755 500 HG12 VAL 66 HG12 VAL 66 71.312 5.051 8.932 501 HG13 VAL 66 HG13 VAL 66 70.381 6.444 9.484 502 HG21 VAL 66 HG21 VAL 66 69.481 7.783 6.249 503 HG22 VAL 66 HG22 VAL 66 71.198 8.036 6.564 504 HG23 VAL 66 HG23 VAL 66 70.023 8.245 7.863 505 H ILE 67 HN ILE 67 68.944 4.493 6.195 506 HA ILE 67 HA ILE 67 69.965 1.744 5.617 507 HB ILE 67 HB ILE 67 67.846 2.433 7.675 508 HG12 ILE 67 HG12 ILE 67 69.989 0.787 8.634 509 HG13 ILE 67 HG11 ILE 67 70.686 2.203 7.844 510 HG21 ILE 67 HG21 ILE 67 67.171 0.407 6.615 511 HG22 ILE 67 HG22 ILE 67 68.014 -0.093 8.082 512 HG23 ILE 67 HG23 ILE 67 68.831 -0.182 6.521 513 HD11 ILE 67 HD11 ILE 67 69.357 3.696 9.218 514 HD12 ILE 67 HD12 ILE 67 70.188 2.560 10.281 515 HD13 ILE 67 HD13 ILE 67 68.477 2.335 9.916 516 H1U RCY 68 H1U RCY 68 74.185 4.854 -1.390 517 H1S RCY 68 H1S RCY 68 70.031 2.555 -0.678 518 HB1 RCY 68 HB1 RCY 68 67.808 3.140 0.900 519 HB2 RCY 68 HB2 RCY 68 67.404 1.453 0.582 520 HA RCY 68 HA RCY 68 66.532 2.804 2.784 521 HN1 RCY 68 HN1 RCY 68 69.262 2.100 3.435 522 HA PRO 69 HA PRO 69 64.580 -1.112 3.410 523 HB2 PRO 69 HB2 PRO 69 62.808 -1.202 1.296 524 HB3 PRO 69 HB1 PRO 69 62.562 -0.219 2.751 525 HG2 PRO 69 HG2 PRO 69 63.522 0.593 0.061 526 HG3 PRO 69 HG1 PRO 69 62.489 1.465 1.205 527 HD2 PRO 69 HD2 PRO 69 65.152 2.032 0.852 528 HD3 PRO 69 HD1 PRO 69 64.286 2.327 2.376 529 H TRP 70 HN TRP 70 65.404 -0.579 -0.045 530 HA TRP 70 HA TRP 70 65.594 -3.381 -0.664 531 HD1 TRP 70 HD1 TRP 70 68.627 -0.254 -1.516 532 HE1 TRP 70 HE1 TRP 70 68.114 2.271 -1.545 533 HE3 TRP 70 HE3 TRP 70 63.632 -0.383 -2.565 534 HZ2 TRP 70 HZ2 TRP 70 65.876 4.011 -1.958 535 HZ3 TRP 70 HZ3 TRP 70 62.336 1.716 -2.770 536 HH2 TRP 70 HH2 TRP 70 63.447 3.911 -2.469 537 HB2 TRP 70 HB2 TRP 70 67.226 -2.344 -2.519 538 HB3 TRP 70 HB1 TRP 70 65.478 -2.154 -2.622 539 H GLU 71 HN GLU 71 67.263 -1.764 1.566 540 HA GLU 71 HA GLU 71 69.449 -3.692 1.573 541 HB2 GLU 71 HB2 GLU 71 70.663 -2.282 0.174 542 HB3 GLU 71 HB1 GLU 71 69.863 -0.834 0.769 543 HG2 GLU 71 HG2 GLU 71 72.294 -1.131 1.504 544 HG3 GLU 71 HG1 GLU 71 71.133 -0.846 2.801 545 H ALA 72 HN ALA 72 68.681 -4.251 3.623 546 HA ALA 72 HA ALA 72 68.165 -2.239 5.665 547 HB1 ALA 72 HB1 ALA 72 68.348 -5.256 5.709 548 HB2 ALA 72 HB2 ALA 72 66.898 -4.258 5.818 549 HB3 ALA 72 HB3 ALA 72 68.042 -4.304 7.161 550 H1U RCY 73 H1U RCY 73 79.188 -1.196 3.129 551 H1S RCY 73 H1S RCY 73 74.644 -0.251 4.542 552 HB1 RCY 73 HB1 RCY 73 72.061 0.340 6.331 553 HB2 RCY 73 HB2 RCY 73 72.818 -0.457 4.951 554 HA RCY 73 HA RCY 73 72.766 -2.604 6.130 555 HN1 RCY 73 HN1 RCY 73 70.371 -1.232 5.382 556 H ASN 74 HN ASN 74 70.135 -1.345 8.005 557 HA ASN 74 HA ASN 74 71.268 -0.714 10.465 558 HB2 ASN 74 HB2 ASN 74 68.870 -0.600 10.168 559 HB3 ASN 74 HB1 ASN 74 68.772 -2.340 9.900 560 HD21 ASN 74 HD21 ASN 74 68.850 0.136 12.341 561 HD22 ASN 74 HD22 ASN 74 68.832 -0.900 13.686 562 H HIS 75 HN HIS 75 71.464 -3.716 8.821 563 HA HIS 75 HA HIS 75 72.257 -5.130 11.333 564 HD1 HIS 75 HD1 HIS 75 72.307 -8.821 8.704 565 HD2 HIS 75 HD2 HIS 75 72.002 -7.148 12.513 566 HE1 HIS 75 HE1 HIS 75 72.967 -10.639 10.340 567 HE2 HIS 75 HE2 HIS 75 72.785 -9.634 12.662 568 HB2 HIS 75 HB2 HIS 75 70.507 -6.147 9.787 569 HB3 HIS 75 HB1 HIS 75 71.802 -6.365 8.608 570 H1U RCY 76 H1U RCY 76 76.690 -3.889 0.366 571 H1S RCY 76 H1S RCY 76 77.648 -4.974 4.993 572 HB1 RCY 76 HB1 RCY 76 76.109 -4.073 6.238 573 HB2 RCY 76 HB2 RCY 76 74.500 -4.794 6.186 574 HA RCY 76 HA RCY 76 75.924 -5.870 8.441 575 HN1 RCY 76 HN1 RCY 76 73.334 -4.706 7.933 576 H GLU 77 HN GLU 77 74.773 -3.335 9.950 577 HA GLU 77 HA GLU 77 76.785 -1.291 9.485 578 HB2 GLU 77 HB2 GLU 77 74.553 -1.757 11.397 579 HB3 GLU 77 HB1 GLU 77 75.873 -0.761 12.006 580 HG2 GLU 77 HG2 GLU 77 75.685 0.673 9.974 581 HG3 GLU 77 HG1 GLU 77 74.298 -0.286 9.457 582 H LEU 78 HN LEU 78 77.731 -0.710 12.053 583 HA LEU 78 HA LEU 78 79.537 -1.261 13.444 584 HG LEU 78 HG LEU 78 77.483 -1.519 14.717 585 HB2 LEU 78 HB2 LEU 78 77.874 -3.764 13.365 586 HB3 LEU 78 HB1 LEU 78 79.410 -3.765 14.230 587 HD11 LEU 78 HD11 LEU 78 76.449 -2.880 16.538 588 HD12 LEU 78 HD12 LEU 78 77.305 -4.296 15.926 589 HD13 LEU 78 HD13 LEU 78 76.080 -3.508 14.931 590 HD21 LEU 78 HD21 LEU 78 78.596 -1.409 16.821 591 HD22 LEU 78 HD22 LEU 78 79.873 -1.717 15.643 592 HD23 LEU 78 HD23 LEU 78 79.257 -3.035 16.641 593 H HIS 79 HN HIS 79 79.286 -4.435 11.874 594 HA HIS 79 HA HIS 79 81.967 -4.939 11.467 595 HD1 HIS 79 HD1 HIS 79 80.881 -5.983 12.915 596 HD2 HIS 79 HD2 HIS 79 78.749 -8.255 10.141 597 HE1 HIS 79 HE1 HIS 79 79.718 -7.810 14.229 598 HE2 HIS 79 HE2 HIS 79 78.417 -9.200 12.552 599 HB2 HIS 79 HB2 HIS 79 79.755 -5.522 9.476 600 HB3 HIS 79 HB1 HIS 79 81.313 -6.343 9.550 601 H GLU 80 HN GLU 80 83.559 -4.289 10.014 602 HA GLU 80 HA GLU 80 82.874 -1.938 8.308 603 HB2 GLU 80 HB2 GLU 80 85.565 -2.962 9.266 604 HB3 GLU 80 HB1 GLU 80 85.306 -1.497 8.318 605 HG2 GLU 80 HG2 GLU 80 83.942 -1.956 10.976 606 HG3 GLU 80 HG1 GLU 80 85.520 -1.177 10.849 607 H LEU 81 HN LEU 81 85.634 -4.096 7.861 608 HA LEU 81 HA LEU 81 85.001 -4.337 5.019 609 HG LEU 81 HG LEU 81 86.582 -5.892 7.800 610 HB2 LEU 81 HB2 LEU 81 87.043 -5.937 5.129 611 HB3 LEU 81 HB1 LEU 81 87.318 -4.226 5.451 612 HD11 LEU 81 HD11 LEU 81 88.143 -7.380 6.594 613 HD12 LEU 81 HD12 LEU 81 88.889 -6.731 8.055 614 HD13 LEU 81 HD13 LEU 81 89.308 -6.061 6.478 615 HD21 LEU 81 HD21 LEU 81 87.227 -3.380 7.674 616 HD22 LEU 81 HD22 LEU 81 88.880 -3.963 7.481 617 HD23 LEU 81 HD23 LEU 81 87.971 -4.357 8.939 618 H ALA 82 HN ALA 82 84.704 -6.340 7.894 619 HA ALA 82 HA ALA 82 84.308 -8.862 6.676 620 HB1 ALA 82 HB1 ALA 82 83.205 -7.628 9.201 621 HB2 ALA 82 HB2 ALA 82 84.478 -8.838 9.040 622 HB3 ALA 82 HB3 ALA 82 82.800 -9.277 8.725 623 H GLN 83 HN GLN 83 81.399 -7.857 8.237 624 HA GLN 83 HA GLN 83 79.183 -7.820 7.434 625 HB2 GLN 83 HB2 GLN 83 80.582 -6.484 5.094 626 HB3 GLN 83 HB1 GLN 83 78.841 -6.482 5.364 627 HG2 GLN 83 HG2 GLN 83 79.053 -5.203 7.369 628 HG3 GLN 83 HG1 GLN 83 80.798 -5.455 7.429 629 HE21 GLN 83 HE21 GLN 83 79.346 -4.809 4.306 630 HE22 GLN 83 HE22 GLN 83 79.906 -3.213 4.159 631 H TYR 84 HN TYR 84 81.430 -9.831 6.291 632 HA TYR 84 HA TYR 84 81.483 -11.583 4.740 633 HD1 TYR 84 HD1 TYR 84 78.536 -13.182 3.101 634 HD2 TYR 84 HD2 TYR 84 77.464 -10.522 6.299 635 HE1 TYR 84 HE1 TYR 84 76.312 -12.829 2.062 636 HE2 TYR 84 HE2 TYR 84 75.240 -10.169 5.260 637 HH TYR 84 HH TYR 84 73.988 -12.139 2.886 638 HB2 TYR 84 HB2 TYR 84 79.836 -13.097 5.213 639 HB3 TYR 84 HB1 TYR 84 79.433 -11.933 6.468 640 H GLY 85 HN GLY 85 80.530 -8.734 3.856 641 HA2 GLY 85 HA2 GLY 85 79.823 -9.599 1.097 642 HA3 GLY 85 HA1 GLY 85 78.849 -8.350 1.874 643 H ILE 86 HN ILE 86 82.325 -8.666 2.346 644 HA ILE 86 HA ILE 86 83.966 -6.977 2.112 645 HB ILE 86 HB ILE 86 83.923 -8.223 -0.079 646 HG12 ILE 86 HG12 ILE 86 84.496 -5.432 -0.891 647 HG13 ILE 86 HG11 ILE 86 85.285 -5.958 0.597 648 HG21 ILE 86 HG21 ILE 86 82.911 -6.876 -2.005 649 HG22 ILE 86 HG22 ILE 86 82.050 -5.952 -0.773 650 HG23 ILE 86 HG23 ILE 86 81.762 -7.684 -0.938 651 HD11 ILE 86 HD11 ILE 86 85.387 -7.445 -2.045 652 HD12 ILE 86 HD12 ILE 86 86.216 -7.911 -0.560 653 HD13 ILE 86 HD13 ILE 86 86.680 -6.432 -1.402 654 H1U RCY 87 H1U RCY 87 77.762 -0.909 -3.245 655 H1S RCY 87 H1S RCY 87 81.327 -3.122 -3.281 656 HB1 RCY 87 HB1 RCY 87 84.169 -2.107 -0.044 657 HB2 RCY 87 HB2 RCY 87 82.594 -1.399 -0.398 658 HA RCY 87 HA RCY 87 82.748 -2.734 1.774 659 HN1 RCY 87 HN1 RCY 87 83.785 -4.771 0.136 Start of MODEL 98 1 HA MET 1 HA MET 1 67.034 -1.487 -21.561 2 HB2 MET 1 HB2 MET 1 68.211 -2.114 -19.503 3 HB3 MET 1 HB1 MET 1 69.287 -1.188 -20.549 4 HG2 MET 1 HG2 MET 1 68.554 0.882 -19.244 5 HG3 MET 1 HG1 MET 1 67.820 -0.226 -18.086 6 HE1 MET 1 HE1 MET 1 70.868 1.652 -19.156 7 HE2 MET 1 HE2 MET 1 71.736 1.436 -17.638 8 HE3 MET 1 HE3 MET 1 70.061 1.983 -17.618 9 H ASN 2 HN ASN 2 65.545 1.199 -20.652 10 HA ASN 2 HA ASN 2 64.323 0.823 -18.166 11 HB2 ASN 2 HB2 ASN 2 63.969 2.733 -19.836 12 HB3 ASN 2 HB1 ASN 2 62.784 1.689 -20.621 13 HD21 ASN 2 HD21 ASN 2 62.765 4.229 -18.635 14 HD22 ASN 2 HD22 ASN 2 61.488 3.827 -17.592 15 H LEU 3 HN LEU 3 63.492 -1.081 -17.439 16 HA LEU 3 HA LEU 3 62.228 -2.975 -19.303 17 HG LEU 3 HG LEU 3 64.198 -3.949 -18.675 18 HB2 LEU 3 HB2 LEU 3 62.634 -3.066 -16.295 19 HB3 LEU 3 HB1 LEU 3 61.951 -4.378 -17.253 20 HD11 LEU 3 HD11 LEU 3 64.846 -2.121 -17.037 21 HD12 LEU 3 HD12 LEU 3 66.058 -3.384 -17.258 22 HD13 LEU 3 HD13 LEU 3 65.036 -3.383 -15.820 23 HD21 LEU 3 HD21 LEU 3 63.974 -5.570 -16.119 24 HD22 LEU 3 HD22 LEU 3 65.206 -5.811 -17.357 25 HD23 LEU 3 HD23 LEU 3 63.508 -6.103 -17.734 26 H GLU 4 HN GLU 4 60.139 -4.035 -17.917 27 HA GLU 4 HA GLU 4 58.084 -2.026 -18.275 28 HB2 GLU 4 HB2 GLU 4 57.903 -4.790 -17.040 29 HB3 GLU 4 HB1 GLU 4 56.536 -3.804 -17.560 30 HG2 GLU 4 HG2 GLU 4 56.966 -5.324 -19.356 31 HG3 GLU 4 HG1 GLU 4 57.612 -3.766 -19.874 32 HA PRO 5 HA PRO 5 58.251 0.013 -14.314 33 HB2 PRO 5 HB2 PRO 5 55.270 -0.281 -14.514 34 HB3 PRO 5 HB1 PRO 5 56.232 1.147 -14.084 35 HG2 PRO 5 HG2 PRO 5 55.165 0.837 -16.518 36 HG3 PRO 5 HG1 PRO 5 56.722 1.641 -16.267 37 HD2 PRO 5 HD2 PRO 5 56.164 -1.000 -17.481 38 HD3 PRO 5 HD1 PRO 5 57.597 0.037 -17.650 39 HA PRO 6 HA PRO 6 57.759 -3.407 -11.483 40 HB2 PRO 6 HB2 PRO 6 57.969 -2.079 -9.110 41 HB3 PRO 6 HB1 PRO 6 59.357 -2.351 -10.182 42 HG2 PRO 6 HG2 PRO 6 57.698 0.098 -9.836 43 HG3 PRO 6 HG1 PRO 6 59.452 -0.060 -10.035 44 HD2 PRO 6 HD2 PRO 6 57.772 0.645 -12.088 45 HD3 PRO 6 HD1 PRO 6 59.313 -0.204 -12.340 46 H LYS 7 HN LYS 7 56.139 -4.375 -10.160 47 HA LYS 7 HA LYS 7 53.967 -2.860 -9.002 48 HB2 LYS 7 HB2 LYS 7 53.413 -2.748 -11.459 49 HB3 LYS 7 HB1 LYS 7 53.282 -4.505 -11.455 50 HG2 LYS 7 HG2 LYS 7 51.271 -4.477 -10.387 51 HG3 LYS 7 HG1 LYS 7 51.761 -3.171 -9.306 52 HD2 LYS 7 HD2 LYS 7 51.247 -2.617 -12.220 53 HD3 LYS 7 HD1 LYS 7 49.905 -2.692 -11.078 54 HE2 LYS 7 HE2 LYS 7 50.659 -0.839 -9.866 55 HE3 LYS 7 HE1 LYS 7 52.318 -1.018 -10.436 56 HZ1 LYS 7 HZ1 LYS 7 49.980 0.066 -11.871 57 HZ2 LYS 7 HZ2 LYS 7 51.319 -0.536 -12.725 58 HZ3 LYS 7 HZ3 LYS 7 51.510 0.764 -11.649 59 H ALA 8 HN ALA 8 52.690 -4.189 -7.653 60 HA ALA 8 HA ALA 8 52.498 -7.018 -7.803 61 HB1 ALA 8 HB1 ALA 8 54.786 -7.315 -7.352 62 HB2 ALA 8 HB2 ALA 8 54.062 -7.438 -5.750 63 HB3 ALA 8 HB3 ALA 8 54.845 -5.939 -6.250 64 H GLU 9 HN GLU 9 53.396 -6.109 -4.644 65 HA GLU 9 HA GLU 9 50.648 -5.189 -3.957 66 HB2 GLU 9 HB2 GLU 9 52.073 -7.570 -2.727 67 HB3 GLU 9 HB1 GLU 9 50.646 -6.808 -2.025 68 HG2 GLU 9 HG2 GLU 9 49.742 -8.572 -3.299 69 HG3 GLU 9 HG1 GLU 9 49.567 -7.174 -4.360 70 H1U RCY 10 H1U RCY 10 57.528 -4.082 2.764 71 H1S RCY 10 H1S RCY 10 54.157 -1.530 1.344 72 HB1 RCY 10 HB1 RCY 10 52.576 -1.018 -2.392 73 HB2 RCY 10 HB2 RCY 10 53.711 -2.303 -2.795 74 HA RCY 10 HA RCY 10 52.952 -3.388 -0.564 75 HN1 RCY 10 HN1 RCY 10 50.769 -3.508 -2.538 76 H ARG 11 HN ARG 11 52.626 -1.359 0.849 77 HA ARG 11 HA ARG 11 50.075 -0.013 0.806 78 HE ARG 11 HE ARG 11 48.849 -2.082 5.465 79 HB2 ARG 11 HB2 ARG 11 49.584 -2.467 1.567 80 HB3 ARG 11 HB1 ARG 11 50.320 -1.967 3.089 81 HG2 ARG 11 HG2 ARG 11 48.720 0.022 3.058 82 HG3 ARG 11 HG1 ARG 11 47.877 -0.796 1.742 83 HD2 ARG 11 HD2 ARG 11 46.696 -1.626 3.556 84 HD3 ARG 11 HD1 ARG 11 47.956 -2.852 3.419 85 HH11 ARG 11 HH21 ARG 11 46.665 0.182 4.054 86 HH12 ARG 11 HH22 ARG 11 46.659 1.236 5.429 87 HH21 ARG 11 HH11 ARG 11 48.854 -0.719 7.269 88 HH22 ARG 11 HH12 ARG 11 47.899 0.725 7.249 89 H SER 12 HN SER 12 53.204 -0.271 1.713 90 HA SER 12 HA SER 12 52.966 1.256 4.242 91 HG SER 12 HG SER 12 53.942 -0.990 4.619 92 HB2 SER 12 HB2 SER 12 55.512 0.501 2.797 93 HB3 SER 12 HB1 SER 12 55.313 0.908 4.499 94 H ALA 13 HN ALA 13 54.091 1.673 0.902 95 HA ALA 13 HA ALA 13 54.664 3.616 -0.283 96 HB1 ALA 13 HB1 ALA 13 52.808 4.896 1.748 97 HB2 ALA 13 HB2 ALA 13 52.291 4.134 0.245 98 HB3 ALA 13 HB3 ALA 13 53.287 5.589 0.199 99 H THR 14 HN THR 14 54.202 5.356 2.761 100 HA THR 14 HA THR 14 57.035 6.218 2.617 101 HB THR 14 HB THR 14 56.370 7.873 4.327 102 HG1 THR 14 HG1 THR 14 54.077 6.272 4.304 103 HG21 THR 14 HG21 THR 14 55.964 8.268 1.869 104 HG22 THR 14 HG22 THR 14 54.900 9.184 2.936 105 HG23 THR 14 HG23 THR 14 54.300 7.739 2.121 106 H ARG 15 HN ARG 15 55.408 6.110 5.683 107 HA ARG 15 HA ARG 15 56.050 5.059 7.682 108 HE ARG 15 HE ARG 15 57.022 0.556 9.614 109 HB2 ARG 15 HB2 ARG 15 54.889 3.201 6.495 110 HB3 ARG 15 HB1 ARG 15 56.434 2.710 5.802 111 HG2 ARG 15 HG2 ARG 15 56.770 3.024 8.633 112 HG3 ARG 15 HG1 ARG 15 55.360 2.003 8.347 113 HD2 ARG 15 HD2 ARG 15 56.672 0.526 6.913 114 HD3 ARG 15 HD1 ARG 15 58.078 1.579 7.071 115 HH11 ARG 15 HH21 ARG 15 59.173 0.186 6.946 116 HH12 ARG 15 HH22 ARG 15 60.278 -0.833 7.806 117 HH21 ARG 15 HH11 ARG 15 58.452 -0.773 10.753 118 HH22 ARG 15 HH12 ARG 15 59.870 -1.377 9.962 119 H VAL 16 HN VAL 16 57.996 6.244 8.018 120 HA VAL 16 HA VAL 16 60.333 4.908 8.562 121 HB VAL 16 HB VAL 16 60.069 5.377 5.644 122 HG11 VAL 16 HG11 VAL 16 61.602 7.162 5.934 123 HG12 VAL 16 HG12 VAL 16 62.615 5.780 5.520 124 HG13 VAL 16 HG13 VAL 16 62.486 6.308 7.198 125 HG21 VAL 16 HG21 VAL 16 61.230 3.385 5.534 126 HG22 VAL 16 HG22 VAL 16 60.613 3.241 7.179 127 HG23 VAL 16 HG23 VAL 16 62.265 3.793 6.903 128 H MET 17 HN MET 17 59.800 7.850 6.560 129 HA MET 17 HA MET 17 60.017 9.639 8.790 130 HB2 MET 17 HB2 MET 17 62.240 10.560 8.437 131 HB3 MET 17 HB1 MET 17 62.384 8.832 8.742 132 HG2 MET 17 HG2 MET 17 63.300 8.471 6.709 133 HG3 MET 17 HG1 MET 17 62.008 9.364 5.907 134 HE1 MET 17 HE1 MET 17 66.240 10.580 6.715 135 HE2 MET 17 HE2 MET 17 65.550 9.119 6.013 136 HE3 MET 17 HE3 MET 17 65.357 9.438 7.736 137 H GLY 18 HN GLY 18 59.719 8.939 5.477 138 HA2 GLY 18 HA2 GLY 18 58.404 10.323 3.992 139 HA3 GLY 18 HA1 GLY 18 58.823 11.728 4.974 140 H GLY 19 HN GLY 19 59.612 12.912 3.148 141 HA2 GLY 19 HA2 GLY 19 61.409 13.696 1.840 142 HA3 GLY 19 HA1 GLY 19 62.405 12.414 2.532 143 HA PRO 20 HA PRO 20 59.774 11.070 -1.538 144 HB2 PRO 20 HB2 PRO 20 61.261 13.218 -3.010 145 HB3 PRO 20 HB1 PRO 20 59.647 12.549 -3.324 146 HG2 PRO 20 HG2 PRO 20 59.959 14.916 -2.153 147 HG3 PRO 20 HG1 PRO 20 58.661 13.812 -1.667 148 HD2 PRO 20 HD2 PRO 20 61.176 14.505 -0.222 149 HD3 PRO 20 HD1 PRO 20 59.602 14.000 0.430 150 H1U RCY 21 H1U RCY 21 65.043 2.347 -3.586 151 H1S RCY 21 H1S RCY 21 63.960 5.337 -1.111 152 HB1 RCY 21 HB1 RCY 21 63.257 7.286 -3.988 153 HB2 RCY 21 HB2 RCY 21 61.634 7.652 -3.402 154 HA RCY 21 HA RCY 21 63.822 9.655 -2.947 155 HN1 RCY 21 HN1 RCY 21 60.899 10.045 -3.477 156 H THR 22 HN THR 22 64.554 10.983 -4.618 157 HA THR 22 HA THR 22 63.422 10.623 -7.328 158 HB THR 22 HB THR 22 64.992 12.495 -7.913 159 HG1 THR 22 HG1 THR 22 66.562 12.203 -6.377 160 HG21 THR 22 HG21 THR 22 62.708 13.023 -7.284 161 HG22 THR 22 HG22 THR 22 63.782 14.210 -6.543 162 HG23 THR 22 HG23 THR 22 63.111 12.899 -5.572 163 HA PRO 23 HA PRO 23 66.433 7.409 -8.274 164 HB2 PRO 23 HB2 PRO 23 66.155 8.662 -10.986 165 HB3 PRO 23 HB1 PRO 23 66.105 6.948 -10.527 166 HG2 PRO 23 HG2 PRO 23 63.883 8.325 -11.074 167 HG3 PRO 23 HG1 PRO 23 63.920 7.061 -9.834 168 HD2 PRO 23 HD2 PRO 23 63.738 10.006 -9.499 169 HD3 PRO 23 HD1 PRO 23 63.218 8.711 -8.399 170 H ARG 24 HN ARG 24 68.599 7.379 -9.593 171 HA ARG 24 HA ARG 24 70.412 9.233 -8.520 172 HE ARG 24 HE ARG 24 73.416 6.836 -11.850 173 HB2 ARG 24 HB2 ARG 24 71.930 8.531 -10.425 174 HB3 ARG 24 HB1 ARG 24 71.243 7.196 -9.500 175 HG2 ARG 24 HG2 ARG 24 69.438 6.985 -11.208 176 HG3 ARG 24 HG1 ARG 24 70.224 8.248 -12.156 177 HD2 ARG 24 HD2 ARG 24 71.472 5.598 -11.369 178 HD3 ARG 24 HD1 ARG 24 70.873 6.015 -12.974 179 HH11 ARG 24 HH21 ARG 24 70.789 7.710 -13.904 180 HH12 ARG 24 HH22 ARG 24 71.739 8.770 -14.891 181 HH21 ARG 24 HH11 ARG 24 74.672 8.215 -13.127 182 HH22 ARG 24 HH12 ARG 24 73.938 9.056 -14.451 183 H LYS 25 HN LYS 25 71.529 11.054 -9.521 184 HA LYS 25 HA LYS 25 70.120 12.290 -11.839 185 HB2 LYS 25 HB2 LYS 25 70.103 14.477 -10.662 186 HB3 LYS 25 HB1 LYS 25 69.102 13.280 -9.844 187 HG2 LYS 25 HG2 LYS 25 70.272 13.886 -7.986 188 HG3 LYS 25 HG1 LYS 25 71.536 12.851 -8.652 189 HD2 LYS 25 HD2 LYS 25 72.699 14.846 -8.306 190 HD3 LYS 25 HD1 LYS 25 72.209 15.008 -9.993 191 HE2 LYS 25 HE2 LYS 25 70.138 16.222 -9.157 192 HE3 LYS 25 HE1 LYS 25 70.900 16.255 -7.566 193 HZ1 LYS 25 HZ1 LYS 25 71.245 18.228 -9.160 194 HZ2 LYS 25 HZ2 LYS 25 72.365 17.213 -9.935 195 HZ3 LYS 25 HZ3 LYS 25 72.580 17.629 -8.302 196 H GLY 26 HN GLY 26 72.967 12.085 -9.768 197 HA2 GLY 26 HA2 GLY 26 74.499 13.804 -11.638 198 HA3 GLY 26 HA1 GLY 26 75.089 13.183 -10.095 199 HA PRO 27 HA PRO 27 76.026 10.490 -14.155 200 HB2 PRO 27 HB2 PRO 27 78.697 11.782 -13.744 201 HB3 PRO 27 HB1 PRO 27 77.902 11.298 -15.254 202 HG2 PRO 27 HG2 PRO 27 78.008 13.849 -14.473 203 HG3 PRO 27 HG1 PRO 27 76.612 13.190 -15.341 204 HD2 PRO 27 HD2 PRO 27 76.845 13.963 -12.479 205 HD3 PRO 27 HD1 PRO 27 75.404 13.894 -13.517 206 HA PRO 28 HA PRO 28 77.611 7.191 -11.659 207 HB2 PRO 28 HB2 PRO 28 79.902 7.060 -13.594 208 HB3 PRO 28 HB1 PRO 28 78.878 5.750 -12.973 209 HG2 PRO 28 HG2 PRO 28 78.531 6.781 -15.416 210 HG3 PRO 28 HG1 PRO 28 77.174 6.207 -14.435 211 HD2 PRO 28 HD2 PRO 28 77.917 8.984 -15.147 212 HD3 PRO 28 HD1 PRO 28 76.346 8.336 -14.629 213 H LYS 29 HN LYS 29 79.085 6.956 -9.936 214 HA LYS 29 HA LYS 29 81.537 8.613 -9.912 215 HB2 LYS 29 HB2 LYS 29 79.601 9.986 -8.972 216 HB3 LYS 29 HB1 LYS 29 79.536 8.820 -7.650 217 HG2 LYS 29 HG2 LYS 29 82.022 9.274 -7.299 218 HG3 LYS 29 HG1 LYS 29 81.833 10.640 -8.400 219 HD2 LYS 29 HD2 LYS 29 80.202 10.226 -5.878 220 HD3 LYS 29 HD1 LYS 29 81.594 11.302 -6.005 221 HE2 LYS 29 HE2 LYS 29 79.812 12.765 -6.405 222 HE3 LYS 29 HE1 LYS 29 80.294 12.316 -8.041 223 HZ1 LYS 29 HZ1 LYS 29 78.454 10.437 -6.981 224 HZ2 LYS 29 HZ2 LYS 29 78.332 11.382 -8.387 225 HZ3 LYS 29 HZ3 LYS 29 77.806 12.003 -6.896 226 H1U RCY 30 H1U RCY 30 80.738 7.542 -10.204 227 H1S RCY 30 H1S RCY 30 84.511 5.779 -10.407 228 HB1 RCY 30 HB1 RCY 30 85.019 5.900 -6.309 229 HB2 RCY 30 HB2 RCY 30 84.918 7.124 -7.575 230 HA RCY 30 HA RCY 30 82.846 5.027 -7.747 231 HN1 RCY 30 HN1 RCY 30 83.088 7.839 -8.399 232 H LYS 31 HN LYS 31 81.727 7.820 -6.215 233 HA LYS 31 HA LYS 31 80.932 8.235 -4.045 234 HB2 LYS 31 HB2 LYS 31 80.152 5.589 -4.846 235 HB3 LYS 31 HB1 LYS 31 80.528 5.547 -3.126 236 HG2 LYS 31 HG2 LYS 31 78.225 6.153 -3.252 237 HG3 LYS 31 HG1 LYS 31 79.085 7.655 -2.910 238 HD2 LYS 31 HD2 LYS 31 77.594 8.214 -4.668 239 HD3 LYS 31 HD1 LYS 31 79.152 7.989 -5.465 240 HE2 LYS 31 HE2 LYS 31 77.938 5.433 -5.343 241 HE3 LYS 31 HE1 LYS 31 76.692 6.553 -5.893 242 HZ1 LYS 31 HZ1 LYS 31 77.672 6.689 -7.858 243 HZ2 LYS 31 HZ2 LYS 31 78.779 5.495 -7.373 244 HZ3 LYS 31 HZ3 LYS 31 79.150 7.139 -7.155 245 H GLN 32 HN GLN 32 83.861 7.451 -4.538 246 HA GLN 32 HA GLN 32 84.547 7.209 -1.662 247 HB2 GLN 32 HB2 GLN 32 85.565 5.355 -3.837 248 HB3 GLN 32 HB1 GLN 32 86.308 5.496 -2.243 249 HG2 GLN 32 HG2 GLN 32 84.048 4.951 -1.244 250 HG3 GLN 32 HG1 GLN 32 83.491 4.584 -2.877 251 HE21 GLN 32 HE21 GLN 32 86.372 3.777 -0.839 252 HE22 GLN 32 HE22 GLN 32 86.397 2.137 -1.276 253 H ARG 33 HN ARG 33 85.647 9.110 -1.442 254 HA ARG 33 HA ARG 33 87.952 9.584 -3.268 255 HE ARG 33 HE ARG 33 85.897 11.553 -6.335 256 HB2 ARG 33 HB2 ARG 33 85.855 10.958 -3.898 257 HB3 ARG 33 HB1 ARG 33 86.139 11.839 -2.397 258 HG2 ARG 33 HG2 ARG 33 87.399 13.142 -3.829 259 HG3 ARG 33 HG1 ARG 33 88.625 11.957 -3.375 260 HD2 ARG 33 HD2 ARG 33 88.708 12.073 -5.756 261 HD3 ARG 33 HD1 ARG 33 87.835 10.586 -5.388 262 HH11 ARG 33 HH21 ARG 33 88.332 13.894 -5.644 263 HH12 ARG 33 HH22 ARG 33 87.500 15.189 -6.439 264 HH21 ARG 33 HH11 ARG 33 84.798 13.230 -7.378 265 HH22 ARG 33 HH12 ARG 33 85.500 14.812 -7.421 266 H GLN 34 HN GLN 34 86.443 9.850 -0.153 267 HA GLN 34 HA GLN 34 88.710 11.384 0.968 268 HB2 GLN 34 HB2 GLN 34 86.157 10.297 2.182 269 HB3 GLN 34 HB1 GLN 34 87.396 11.138 3.115 270 HG2 GLN 34 HG2 GLN 34 87.169 13.095 1.586 271 HG3 GLN 34 HG1 GLN 34 85.855 12.260 0.757 272 HE21 GLN 34 HE21 GLN 34 86.761 13.044 4.173 273 HE22 GLN 34 HE22 GLN 34 85.187 13.479 4.638 274 H THR 35 HN THR 35 87.307 8.137 1.127 275 HA THR 35 HA THR 35 88.076 6.250 2.375 276 HB THR 35 HB THR 35 89.119 5.689 0.374 277 HG1 THR 35 HG1 THR 35 90.709 4.687 1.268 278 HG21 THR 35 HG21 THR 35 90.962 7.010 -0.621 279 HG22 THR 35 HG22 THR 35 90.897 8.115 0.752 280 HG23 THR 35 HG23 THR 35 89.527 7.999 -0.352 281 H ARG 36 HN ARG 36 88.159 7.067 4.545 282 HA ARG 36 HA ARG 36 90.946 7.482 5.518 283 HE ARG 36 HE ARG 36 93.315 11.336 6.976 284 HB2 ARG 36 HB2 ARG 36 89.424 9.648 5.246 285 HB3 ARG 36 HB1 ARG 36 88.729 9.079 6.762 286 HG2 ARG 36 HG2 ARG 36 90.464 10.344 7.612 287 HG3 ARG 36 HG1 ARG 36 91.312 8.810 7.407 288 HD2 ARG 36 HD2 ARG 36 91.892 9.644 5.042 289 HD3 ARG 36 HD1 ARG 36 91.375 11.234 5.606 290 HH11 ARG 36 HH21 ARG 36 92.774 8.212 5.622 291 HH12 ARG 36 HH22 ARG 36 94.322 7.593 6.093 292 HH21 ARG 36 HH11 ARG 36 95.340 10.547 7.598 293 HH22 ARG 36 HH12 ARG 36 95.774 8.915 7.211 294 H GLN 37 HN GLN 37 87.722 6.283 5.968 295 HA GLN 37 HA GLN 37 88.374 5.322 8.711 296 HB2 GLN 37 HB2 GLN 37 85.737 4.872 7.329 297 HB3 GLN 37 HB1 GLN 37 86.073 5.043 9.052 298 HG2 GLN 37 HG2 GLN 37 86.634 7.427 8.701 299 HG3 GLN 37 HG1 GLN 37 86.267 7.254 6.985 300 HE21 GLN 37 HE21 GLN 37 83.949 5.487 7.355 301 HE22 GLN 37 HE22 GLN 37 82.712 6.434 8.029 302 H1U RCY 38 H1U RCY 38 83.825 4.182 4.509 303 H1S RCY 38 H1S RCY 38 85.748 0.161 3.843 304 HB1 RCY 38 HB1 RCY 38 88.593 1.255 5.769 305 HB2 RCY 38 HB2 RCY 38 86.980 1.967 5.717 306 HA RCY 38 HA RCY 38 86.773 0.770 8.093 307 HN1 RCY 38 HN1 RCY 38 86.931 3.013 8.843 308 H LYS 39 HN LYS 39 88.778 1.901 9.865 309 HA LYS 39 HA LYS 39 90.825 -0.241 9.583 310 HB2 LYS 39 HB2 LYS 39 91.414 2.704 10.025 311 HB3 LYS 39 HB1 LYS 39 92.585 1.421 10.322 312 HG2 LYS 39 HG2 LYS 39 93.158 1.768 8.140 313 HG3 LYS 39 HG1 LYS 39 91.742 0.770 7.806 314 HD2 LYS 39 HD2 LYS 39 91.536 2.772 6.478 315 HD3 LYS 39 HD1 LYS 39 90.365 2.891 7.792 316 HE2 LYS 39 HE2 LYS 39 92.136 4.863 7.177 317 HE3 LYS 39 HE1 LYS 39 91.465 4.624 8.790 318 HZ1 LYS 39 HZ1 LYS 39 93.908 4.791 8.766 319 HZ2 LYS 39 HZ2 LYS 39 93.980 3.385 7.814 320 HZ3 LYS 39 HZ3 LYS 39 93.359 3.313 9.394 321 H SER 40 HN SER 40 88.749 1.719 11.460 322 HA SER 40 HA SER 40 89.967 0.754 14.012 323 HG SER 40 HG SER 40 86.901 3.221 14.079 324 HB2 SER 40 HB2 SER 40 88.538 2.433 15.096 325 HB3 SER 40 HB1 SER 40 89.505 3.184 13.830 326 H LYS 41 HN LYS 41 87.104 0.542 11.990 327 HA LYS 41 HA LYS 41 85.190 -0.503 13.712 328 HB2 LYS 41 HB2 LYS 41 85.831 -1.592 10.957 329 HB3 LYS 41 HB1 LYS 41 84.285 -1.719 11.796 330 HG2 LYS 41 HG2 LYS 41 85.589 0.932 11.133 331 HG3 LYS 41 HG1 LYS 41 84.415 0.146 10.078 332 HD2 LYS 41 HD2 LYS 41 82.787 1.115 11.297 333 HD3 LYS 41 HD1 LYS 41 83.262 0.074 12.640 334 HE2 LYS 41 HE2 LYS 41 83.286 2.460 13.299 335 HE3 LYS 41 HE1 LYS 41 84.900 1.754 13.380 336 HZ1 LYS 41 HZ1 LYS 41 85.502 2.764 11.357 337 HZ2 LYS 41 HZ2 LYS 41 84.729 3.978 12.260 338 HZ3 LYS 41 HZ3 LYS 41 83.903 3.201 10.996 339 HA PRO 42 HA PRO 42 87.620 -4.100 15.037 340 HB2 PRO 42 HB2 PRO 42 86.221 -4.652 17.293 341 HB3 PRO 42 HB1 PRO 42 87.366 -3.299 17.199 342 HG2 PRO 42 HG2 PRO 42 84.397 -3.268 17.041 343 HG3 PRO 42 HG1 PRO 42 85.500 -2.121 17.819 344 HD2 PRO 42 HD2 PRO 42 84.322 -1.722 15.335 345 HD3 PRO 42 HD1 PRO 42 85.808 -0.918 15.884 346 HA PRO 43 HA PRO 43 85.045 -7.407 13.554 347 HB2 PRO 43 HB2 PRO 43 86.235 -9.574 14.675 348 HB3 PRO 43 HB1 PRO 43 87.021 -8.614 13.405 349 HG2 PRO 43 HG2 PRO 43 87.464 -8.563 16.349 350 HG3 PRO 43 HG1 PRO 43 88.640 -8.464 15.027 351 HD2 PRO 43 HD2 PRO 43 87.730 -6.266 16.422 352 HD3 PRO 43 HD1 PRO 43 88.341 -6.192 14.755 353 H LYS 44 HN LYS 44 83.601 -9.222 14.296 354 HA LYS 44 HA LYS 44 81.973 -10.107 15.722 355 HB2 LYS 44 HB2 LYS 44 84.122 -10.326 17.203 356 HB3 LYS 44 HB1 LYS 44 83.442 -8.969 18.094 357 HG2 LYS 44 HG2 LYS 44 82.547 -10.818 19.229 358 HG3 LYS 44 HG1 LYS 44 81.250 -10.389 18.112 359 HD2 LYS 44 HD2 LYS 44 81.785 -12.156 16.631 360 HD3 LYS 44 HD1 LYS 44 83.377 -12.392 17.354 361 HE2 LYS 44 HE2 LYS 44 81.752 -14.154 18.042 362 HE3 LYS 44 HE1 LYS 44 82.358 -13.224 19.413 363 HZ1 LYS 44 HZ1 LYS 44 79.896 -12.378 18.041 364 HZ2 LYS 44 HZ2 LYS 44 80.382 -12.102 19.645 365 HZ3 LYS 44 HZ3 LYS 44 79.834 -13.640 19.173 366 H LYS 45 HN LYS 45 82.823 -7.378 17.846 367 HA LYS 45 HA LYS 45 80.057 -6.343 17.433 368 HB2 LYS 45 HB2 LYS 45 80.957 -6.825 19.766 369 HB3 LYS 45 HB1 LYS 45 82.062 -5.472 19.530 370 HG2 LYS 45 HG2 LYS 45 80.232 -3.925 19.264 371 HG3 LYS 45 HG1 LYS 45 79.058 -5.240 19.224 372 HD2 LYS 45 HD2 LYS 45 80.825 -5.115 21.612 373 HD3 LYS 45 HD1 LYS 45 79.600 -3.853 21.471 374 HE2 LYS 45 HE2 LYS 45 78.776 -5.857 22.713 375 HE3 LYS 45 HE1 LYS 45 77.841 -5.529 21.254 376 HZ1 LYS 45 HZ1 LYS 45 79.065 -7.203 20.083 377 HZ2 LYS 45 HZ2 LYS 45 78.445 -7.885 21.510 378 HZ3 LYS 45 HZ3 LYS 45 80.088 -7.462 21.411 379 H GLY 46 HN GLY 46 79.855 -3.913 17.356 380 HA2 GLY 46 HA2 GLY 46 82.233 -2.487 16.335 381 HA3 GLY 46 HA1 GLY 46 80.881 -2.653 15.214 382 H VAL 47 HN VAL 47 82.190 -0.663 17.564 383 HA VAL 47 HA VAL 47 79.720 0.341 18.721 384 HB VAL 47 HB VAL 47 81.700 0.640 20.029 385 HG11 VAL 47 HG11 VAL 47 83.403 2.358 18.693 386 HG12 VAL 47 HG12 VAL 47 82.855 1.283 17.406 387 HG13 VAL 47 HG13 VAL 47 83.631 0.616 18.842 388 HG21 VAL 47 HG21 VAL 47 81.365 2.829 20.612 389 HG22 VAL 47 HG22 VAL 47 80.057 2.725 19.434 390 HG23 VAL 47 HG23 VAL 47 81.614 3.409 18.965 391 H GLN 48 HN GLN 48 81.873 2.716 17.348 392 HA GLN 48 HA GLN 48 80.213 3.157 14.977 393 HB2 GLN 48 HB2 GLN 48 79.171 5.158 15.594 394 HB3 GLN 48 HB1 GLN 48 79.050 4.214 17.078 395 HG2 GLN 48 HG2 GLN 48 81.312 5.296 17.720 396 HG3 GLN 48 HG1 GLN 48 80.969 6.453 16.434 397 HE21 GLN 48 HE21 GLN 48 79.807 5.250 19.577 398 HE22 GLN 48 HE22 GLN 48 78.782 6.567 19.891 399 H GLY 49 HN GLY 49 81.155 4.773 13.566 400 HA2 GLY 49 HA2 GLY 49 83.337 6.442 14.109 401 HA3 GLY 49 HA1 GLY 49 84.035 4.872 13.709 402 H1U RCY 50 H1U RCY 50 83.381 1.277 5.207 403 H1S RCY 50 H1S RCY 50 81.196 3.302 7.913 404 HB1 RCY 50 HB1 RCY 50 80.331 4.637 10.066 405 HB2 RCY 50 HB2 RCY 50 82.000 4.459 9.525 406 HA RCY 50 HA RCY 50 82.400 6.838 9.809 407 HN1 RCY 50 HN1 RCY 50 81.049 6.182 12.351 408 H GLY 51 HN GLY 51 79.852 7.153 12.048 409 HA2 GLY 51 HA2 GLY 51 78.254 8.815 10.148 410 HA3 GLY 51 HA1 GLY 51 77.635 8.138 11.656 411 H ASP 52 HN ASP 52 80.816 9.531 11.656 412 HA ASP 52 HA ASP 52 80.335 11.294 13.792 413 HB2 ASP 52 HB2 ASP 52 82.392 12.501 13.002 414 HB3 ASP 52 HB1 ASP 52 82.603 10.752 13.113 415 H ASP 53 HN ASP 53 79.580 11.659 10.413 416 HA ASP 53 HA ASP 53 78.133 14.148 11.012 417 HB2 ASP 53 HB2 ASP 53 80.347 14.106 8.935 418 HB3 ASP 53 HB1 ASP 53 79.257 15.455 9.259 419 H ILE 54 HN ILE 54 78.768 14.219 7.788 420 HA ILE 54 HA ILE 54 76.495 12.378 7.149 421 HB ILE 54 HB ILE 54 77.164 14.981 5.753 422 HG12 ILE 54 HG12 ILE 54 74.929 14.378 7.715 423 HG13 ILE 54 HG11 ILE 54 76.381 15.297 8.111 424 HG21 ILE 54 HG21 ILE 54 74.734 13.170 5.614 425 HG22 ILE 54 HG22 ILE 54 75.998 13.265 4.388 426 HG23 ILE 54 HG23 ILE 54 74.969 14.662 4.704 427 HD11 ILE 54 HD11 ILE 54 74.726 16.927 7.571 428 HD12 ILE 54 HD12 ILE 54 74.200 16.027 6.148 429 HD13 ILE 54 HD13 ILE 54 75.771 16.829 6.154 430 HA PRO 55 HA PRO 55 79.658 10.690 4.436 431 HB2 PRO 55 HB2 PRO 55 78.191 8.699 3.317 432 HB3 PRO 55 HB1 PRO 55 78.762 8.624 4.996 433 HG2 PRO 55 HG2 PRO 55 76.062 9.322 3.957 434 HG3 PRO 55 HG1 PRO 55 76.513 8.360 5.374 435 HD2 PRO 55 HD2 PRO 55 75.723 11.005 5.502 436 HD3 PRO 55 HD1 PRO 55 76.749 10.216 6.720 437 H GLY 56 HN GLY 56 79.081 9.587 1.917 438 HA2 GLY 56 HA2 GLY 56 78.760 11.989 0.321 439 HA3 GLY 56 HA1 GLY 56 78.956 10.352 -0.309 440 H MET 57 HN MET 57 76.447 11.534 1.915 441 HA MET 57 HA MET 57 74.388 10.352 0.186 442 HB2 MET 57 HB2 MET 57 74.284 10.203 2.682 443 HB3 MET 57 HB1 MET 57 74.075 11.953 2.746 444 HG2 MET 57 HG2 MET 57 71.921 11.866 1.935 445 HG3 MET 57 HG1 MET 57 72.238 10.437 0.951 446 HE1 MET 57 HE1 MET 57 73.354 10.456 4.829 447 HE2 MET 57 HE2 MET 57 71.728 10.583 5.493 448 HE3 MET 57 HE3 MET 57 72.327 11.830 4.402 449 H GLU 58 HN GLU 58 75.988 12.781 -0.661 450 HA GLU 58 HA GLU 58 73.888 14.871 -0.777 451 HB2 GLU 58 HB2 GLU 58 76.750 14.829 -1.786 452 HB3 GLU 58 HB1 GLU 58 75.666 16.217 -1.890 453 HG2 GLU 58 HG2 GLU 58 76.313 14.849 0.729 454 HG3 GLU 58 HG1 GLU 58 77.249 16.209 0.109 455 H GLY 59 HN GLY 59 75.020 12.232 -2.625 456 HA2 GLY 59 HA2 GLY 59 73.102 12.668 -4.709 457 HA3 GLY 59 HA1 GLY 59 74.705 13.126 -5.285 458 H1U RCY 60 H1U RCY 60 77.154 3.542 -0.917 459 H1S RCY 60 H1S RCY 60 75.523 7.442 -2.338 460 HB1 RCY 60 HB1 RCY 60 73.494 6.834 -3.524 461 HB2 RCY 60 HB2 RCY 60 72.168 7.992 -3.640 462 HA RCY 60 HA RCY 60 75.081 8.506 -4.311 463 HN1 RCY 60 HN1 RCY 60 73.009 10.426 -3.673 464 H GLY 61 HN GLY 61 75.169 9.246 -6.670 465 HA2 GLY 61 HA2 GLY 61 72.967 8.198 -8.348 466 HA3 GLY 61 HA1 GLY 61 74.354 9.122 -8.927 467 H THR 62 HN THR 62 73.052 6.003 -8.648 468 HA THR 62 HA THR 62 75.167 4.761 -10.087 469 HB THR 62 HB THR 62 76.573 4.898 -8.170 470 HG1 THR 62 HG1 THR 62 75.427 2.512 -8.822 471 HG21 THR 62 HG21 THR 62 74.687 5.505 -6.613 472 HG22 THR 62 HG22 THR 62 75.854 4.378 -5.924 473 HG23 THR 62 HG23 THR 62 74.298 3.788 -6.507 474 H ASP 63 HN ASP 63 73.199 4.019 -11.127 475 HA ASP 63 HA ASP 63 71.255 2.415 -9.710 476 HB2 ASP 63 HB2 ASP 63 70.542 1.745 -12.038 477 HB3 ASP 63 HB1 ASP 63 70.589 3.487 -11.769 478 H ILE 64 HN ILE 64 71.949 0.543 -8.751 479 HA ILE 64 HA ILE 64 72.913 -1.585 -8.515 480 HB ILE 64 HB ILE 64 72.044 -1.369 -11.367 481 HG12 ILE 64 HG12 ILE 64 70.790 -3.413 -10.710 482 HG13 ILE 64 HG11 ILE 64 71.594 -3.384 -9.140 483 HG21 ILE 64 HG21 ILE 64 72.922 -3.704 -11.781 484 HG22 ILE 64 HG22 ILE 64 73.904 -3.523 -10.327 485 HG23 ILE 64 HG23 ILE 64 74.170 -2.460 -11.708 486 HD11 ILE 64 HD11 ILE 64 69.989 -1.046 -10.195 487 HD12 ILE 64 HD12 ILE 64 70.563 -1.305 -8.548 488 HD13 ILE 64 HD13 ILE 64 69.279 -2.320 -9.204 489 H THR 65 HN THR 65 74.499 0.946 -9.775 490 HA THR 65 HA THR 65 76.689 1.331 -10.543 491 HB THR 65 HB THR 65 77.024 0.957 -8.118 492 HG1 THR 65 HG1 THR 65 79.124 0.880 -8.374 493 HG21 THR 65 HG21 THR 65 76.140 -1.267 -7.864 494 HG22 THR 65 HG22 THR 65 77.848 -1.335 -7.430 495 HG23 THR 65 HG23 THR 65 77.314 -1.923 -9.005 496 H VAL 66 HN VAL 66 75.340 -0.448 -12.217 497 HA VAL 66 HA VAL 66 75.826 -1.896 -13.992 498 HB VAL 66 HB VAL 66 78.695 -1.964 -13.039 499 HG11 VAL 66 HG11 VAL 66 79.153 -2.264 -15.416 500 HG12 VAL 66 HG12 VAL 66 77.451 -2.020 -15.805 501 HG13 VAL 66 HG13 VAL 66 77.953 -3.452 -14.908 502 HG21 VAL 66 HG21 VAL 66 78.322 0.359 -13.075 503 HG22 VAL 66 HG22 VAL 66 77.163 0.246 -14.399 504 HG23 VAL 66 HG23 VAL 66 78.885 0.031 -14.713 505 H ILE 67 HN ILE 67 77.710 -2.749 -11.077 506 HA ILE 67 HA ILE 67 76.405 -5.428 -11.131 507 HB ILE 67 HB ILE 67 79.370 -4.907 -10.726 508 HG12 ILE 67 HG12 ILE 67 78.867 -6.883 -12.685 509 HG13 ILE 67 HG11 ILE 67 77.757 -5.557 -13.037 510 HG21 ILE 67 HG21 ILE 67 78.706 -6.643 -9.209 511 HG22 ILE 67 HG22 ILE 67 79.423 -7.449 -10.604 512 HG23 ILE 67 HG23 ILE 67 77.669 -7.394 -10.423 513 HD11 ILE 67 HD11 ILE 67 79.761 -3.993 -12.779 514 HD12 ILE 67 HD12 ILE 67 79.775 -5.035 -14.203 515 HD13 ILE 67 HD13 ILE 67 80.770 -5.440 -12.804 516 H1U RCY 68 H1U RCY 68 73.627 -3.183 -0.360 517 H1S RCY 68 H1S RCY 68 72.449 -1.901 -4.791 518 HB1 RCY 68 HB1 RCY 68 73.742 -4.731 -6.442 519 HB2 RCY 68 HB2 RCY 68 73.701 -3.860 -7.974 520 HA RCY 68 HA RCY 68 76.339 -3.584 -6.983 521 HN1 RCY 68 HN1 RCY 68 75.089 -4.719 -9.354 522 HA PRO 69 HA PRO 69 78.108 -7.340 -5.364 523 HB2 PRO 69 HB2 PRO 69 77.175 -6.099 -2.796 524 HB3 PRO 69 HB1 PRO 69 78.742 -6.833 -3.190 525 HG2 PRO 69 HG2 PRO 69 78.400 -4.184 -3.143 526 HG3 PRO 69 HG1 PRO 69 79.488 -4.968 -4.298 527 HD2 PRO 69 HD2 PRO 69 76.875 -3.662 -4.789 528 HD3 PRO 69 HD1 PRO 69 78.204 -3.986 -5.923 529 H TRP 70 HN TRP 70 74.799 -6.429 -4.959 530 HA TRP 70 HA TRP 70 73.947 -8.605 -3.291 531 HD1 TRP 70 HD1 TRP 70 71.931 -10.001 -3.232 532 HE1 TRP 70 HE1 TRP 70 70.222 -9.910 -1.305 533 HE3 TRP 70 HE3 TRP 70 70.960 -4.989 -3.152 534 HZ2 TRP 70 HZ2 TRP 70 68.648 -7.965 0.089 535 HZ3 TRP 70 HZ3 TRP 70 69.356 -4.046 -1.520 536 HH2 TRP 70 HH2 TRP 70 68.199 -5.523 0.099 537 HB2 TRP 70 HB2 TRP 70 72.709 -6.399 -4.338 538 HB3 TRP 70 HB1 TRP 70 72.030 -7.671 -5.352 539 H GLU 71 HN GLU 71 74.490 -8.315 -6.769 540 HA GLU 71 HA GLU 71 73.560 -11.125 -7.140 541 HB2 GLU 71 HB2 GLU 71 74.408 -9.134 -9.261 542 HB3 GLU 71 HB1 GLU 71 73.531 -10.645 -9.504 543 HG2 GLU 71 HG2 GLU 71 72.520 -8.214 -7.998 544 HG3 GLU 71 HG1 GLU 71 71.966 -8.763 -9.580 545 H ALA 72 HN ALA 72 76.404 -9.343 -6.642 546 HA ALA 72 HA ALA 72 78.173 -10.987 -8.276 547 HB1 ALA 72 HB1 ALA 72 78.552 -8.566 -7.359 548 HB2 ALA 72 HB2 ALA 72 79.920 -9.676 -7.425 549 HB3 ALA 72 HB3 ALA 72 79.090 -9.390 -5.896 550 H1U RCY 73 H1U RCY 73 81.802 -7.516 0.830 551 H1S RCY 73 H1S RCY 73 81.810 -11.606 -0.559 552 HB1 RCY 73 HB1 RCY 73 78.139 -12.073 -1.977 553 HB2 RCY 73 HB2 RCY 73 79.133 -10.874 -2.802 554 HA RCY 73 HA RCY 73 79.447 -13.171 -4.352 555 HN1 RCY 73 HN1 RCY 73 78.237 -10.569 -4.722 556 H ASN 74 HN ASN 74 76.190 -12.069 -4.653 557 HA ASN 74 HA ASN 74 74.159 -13.237 -4.569 558 HB2 ASN 74 HB2 ASN 74 75.706 -14.920 -5.829 559 HB3 ASN 74 HB1 ASN 74 75.717 -15.805 -4.303 560 HD21 ASN 74 HD21 ASN 74 73.057 -13.971 -5.906 561 HD22 ASN 74 HD22 ASN 74 71.984 -15.285 -5.955 562 H HIS 75 HN HIS 75 76.248 -15.329 -2.551 563 HA HIS 75 HA HIS 75 74.444 -15.887 -0.515 564 HD1 HIS 75 HD1 HIS 75 74.702 -16.519 1.958 565 HD2 HIS 75 HD2 HIS 75 78.548 -14.906 1.932 566 HE1 HIS 75 HE1 HIS 75 75.295 -16.045 4.375 567 HE2 HIS 75 HE2 HIS 75 77.634 -15.062 4.373 568 HB2 HIS 75 HB2 HIS 75 76.509 -16.984 -0.322 569 HB3 HIS 75 HB1 HIS 75 77.429 -15.493 -0.521 570 H1U RCY 76 H1U RCY 76 73.828 -6.569 2.995 571 H1S RCY 76 H1S RCY 76 75.486 -10.006 1.709 572 HB1 RCY 76 HB1 RCY 76 73.241 -10.223 0.591 573 HB2 RCY 76 HB2 RCY 76 73.014 -11.310 -0.778 574 HA RCY 76 HA RCY 76 74.210 -12.178 1.868 575 HN1 RCY 76 HN1 RCY 76 73.079 -14.102 -0.045 576 H GLU 77 HN GLU 77 71.364 -13.136 -0.058 577 HA GLU 77 HA GLU 77 69.470 -12.001 1.816 578 HB2 GLU 77 HB2 GLU 77 69.102 -12.632 -0.674 579 HB3 GLU 77 HB1 GLU 77 68.849 -14.271 -0.073 580 HG2 GLU 77 HG2 GLU 77 66.681 -13.292 -0.132 581 HG3 GLU 77 HG1 GLU 77 67.163 -13.242 1.564 582 H LEU 78 HN LEU 78 71.047 -15.128 1.467 583 HA LEU 78 HA LEU 78 69.470 -16.810 3.006 584 HG LEU 78 HG LEU 78 71.111 -18.122 4.833 585 HB2 LEU 78 HB2 LEU 78 71.686 -17.391 1.953 586 HB3 LEU 78 HB1 LEU 78 72.478 -16.581 3.303 587 HD11 LEU 78 HD11 LEU 78 69.438 -19.015 3.449 588 HD12 LEU 78 HD12 LEU 78 70.602 -20.336 3.543 589 HD13 LEU 78 HD13 LEU 78 70.559 -19.300 2.117 590 HD21 LEU 78 HD21 LEU 78 73.259 -19.142 2.960 591 HD22 LEU 78 HD22 LEU 78 72.669 -20.091 4.325 592 HD23 LEU 78 HD23 LEU 78 73.455 -18.537 4.605 593 H HIS 79 HN HIS 79 71.337 -14.053 4.093 594 HA HIS 79 HA HIS 79 71.524 -13.052 6.206 595 HD1 HIS 79 HD1 HIS 79 67.989 -11.758 8.120 596 HD2 HIS 79 HD2 HIS 79 70.354 -11.460 4.697 597 HE1 HIS 79 HE1 HIS 79 67.923 -9.327 7.413 598 HE2 HIS 79 HE2 HIS 79 69.358 -9.132 5.331 599 HB2 HIS 79 HB2 HIS 79 68.790 -14.150 6.000 600 HB3 HIS 79 HB1 HIS 79 69.331 -13.883 7.657 601 H GLU 80 HN GLU 80 73.220 -13.943 7.304 602 HA GLU 80 HA GLU 80 72.617 -16.093 9.229 603 HB2 GLU 80 HB2 GLU 80 73.400 -17.207 7.078 604 HB3 GLU 80 HB1 GLU 80 74.952 -16.403 7.324 605 HG2 GLU 80 HG2 GLU 80 75.165 -18.580 8.300 606 HG3 GLU 80 HG1 GLU 80 74.990 -17.451 9.644 607 H LEU 81 HN LEU 81 74.914 -13.776 7.875 608 HA LEU 81 HA LEU 81 76.542 -13.802 10.327 609 HG LEU 81 HG LEU 81 76.088 -10.831 8.261 610 HB2 LEU 81 HB2 LEU 81 77.965 -12.210 9.198 611 HB3 LEU 81 HB1 LEU 81 77.557 -13.477 8.046 612 HD11 LEU 81 HD11 LEU 81 78.389 -10.494 7.466 613 HD12 LEU 81 HD12 LEU 81 77.247 -10.276 6.139 614 HD13 LEU 81 HD13 LEU 81 78.174 -11.771 6.268 615 HD21 LEU 81 HD21 LEU 81 74.572 -12.286 7.262 616 HD22 LEU 81 HD22 LEU 81 75.842 -13.288 6.558 617 HD23 LEU 81 HD23 LEU 81 75.457 -11.721 5.845 618 H ALA 82 HN ALA 82 73.647 -12.942 10.298 619 HA ALA 82 HA ALA 82 73.520 -10.096 10.645 620 HB1 ALA 82 HB1 ALA 82 71.764 -12.287 11.797 621 HB2 ALA 82 HB2 ALA 82 71.497 -11.429 10.279 622 HB3 ALA 82 HB3 ALA 82 71.373 -10.567 11.813 623 H GLN 83 HN GLN 83 75.730 -11.481 12.143 624 HA GLN 83 HA GLN 83 75.236 -11.602 14.921 625 HB2 GLN 83 HB2 GLN 83 77.621 -11.119 13.199 626 HB3 GLN 83 HB1 GLN 83 77.770 -10.639 14.889 627 HG2 GLN 83 HG2 GLN 83 76.713 -13.357 14.100 628 HG3 GLN 83 HG1 GLN 83 78.439 -13.057 14.304 629 HE21 GLN 83 HE21 GLN 83 75.934 -14.322 15.983 630 HE22 GLN 83 HE22 GLN 83 76.355 -13.860 17.561 631 H TYR 84 HN TYR 84 75.508 -8.856 12.788 632 HA TYR 84 HA TYR 84 75.774 -6.935 15.005 633 HD1 TYR 84 HD1 TYR 84 77.280 -8.388 12.149 634 HD2 TYR 84 HD2 TYR 84 77.610 -4.377 13.649 635 HE1 TYR 84 HE1 TYR 84 79.752 -8.557 12.057 636 HE2 TYR 84 HE2 TYR 84 80.082 -4.546 13.557 637 HH TYR 84 HH TYR 84 81.724 -6.544 11.835 638 HB2 TYR 84 HB2 TYR 84 75.360 -6.592 12.020 639 HB3 TYR 84 HB1 TYR 84 75.496 -5.243 13.148 640 H GLY 85 HN GLY 85 73.340 -7.596 12.469 641 HA2 GLY 85 HA2 GLY 85 71.007 -7.901 13.670 642 HA3 GLY 85 HA1 GLY 85 71.303 -6.229 14.151 643 H ILE 86 HN ILE 86 72.576 -5.388 11.714 644 HA ILE 86 HA ILE 86 70.189 -5.409 9.905 645 HB ILE 86 HB ILE 86 71.903 -3.340 9.082 646 HG12 ILE 86 HG12 ILE 86 71.695 -3.423 12.111 647 HG13 ILE 86 HG11 ILE 86 73.181 -3.640 11.185 648 HG21 ILE 86 HG21 ILE 86 69.420 -3.319 9.208 649 HG22 ILE 86 HG22 ILE 86 70.130 -1.886 9.954 650 HG23 ILE 86 HG23 ILE 86 69.527 -3.200 10.965 651 HD11 ILE 86 HD11 ILE 86 71.477 -1.154 11.408 652 HD12 ILE 86 HD12 ILE 86 72.687 -1.353 10.141 653 HD13 ILE 86 HD13 ILE 86 73.177 -1.347 11.835 654 H1U RCY 87 H1U RCY 87 77.967 -0.063 5.185 655 H1S RCY 87 H1S RCY 87 76.120 -3.761 6.194 656 HB1 RCY 87 HB1 RCY 87 75.981 -5.704 6.880 657 HB2 RCY 87 HB2 RCY 87 76.223 -6.132 8.568 658 HA RCY 87 HA RCY 87 73.702 -6.172 6.950 659 HN1 RCY 87 HN1 RCY 87 73.776 -5.197 9.712 Start of MODEL 99 1 HA MET 1 HA MET 1 50.798 0.044 1.667 2 HB2 MET 1 HB2 MET 1 49.199 0.599 -0.819 3 HB3 MET 1 HB1 MET 1 49.573 -1.069 -0.386 4 HG2 MET 1 HG2 MET 1 47.373 -0.129 0.532 5 HG3 MET 1 HG1 MET 1 48.448 -0.886 1.707 6 HE1 MET 1 HE1 MET 1 49.409 0.170 3.687 7 HE2 MET 1 HE2 MET 1 47.650 0.121 3.788 8 HE3 MET 1 HE3 MET 1 48.520 1.542 4.362 9 H ASN 2 HN ASN 2 51.714 1.161 -1.598 10 HA ASN 2 HA ASN 2 54.299 -0.041 -1.481 11 HB2 ASN 2 HB2 ASN 2 53.679 -1.783 -3.381 12 HB3 ASN 2 HB1 ASN 2 53.474 -2.209 -1.682 13 HD21 ASN 2 HD21 ASN 2 51.461 -0.189 -3.899 14 HD22 ASN 2 HD22 ASN 2 50.030 -1.062 -3.627 15 H LEU 3 HN LEU 3 51.639 1.263 -3.341 16 HA LEU 3 HA LEU 3 53.242 1.732 -5.736 17 HG LEU 3 HG LEU 3 49.989 1.596 -7.173 18 HB2 LEU 3 HB2 LEU 3 50.463 2.284 -4.840 19 HB3 LEU 3 HB1 LEU 3 51.124 3.439 -5.993 20 HD11 LEU 3 HD11 LEU 3 52.790 0.872 -7.737 21 HD12 LEU 3 HD12 LEU 3 52.483 2.608 -7.717 22 HD13 LEU 3 HD13 LEU 3 51.570 1.564 -8.806 23 HD21 LEU 3 HD21 LEU 3 50.225 -0.182 -5.547 24 HD22 LEU 3 HD22 LEU 3 51.984 -0.106 -5.651 25 HD23 LEU 3 HD23 LEU 3 51.044 -0.694 -7.023 26 H GLU 4 HN GLU 4 51.919 3.826 -3.152 27 HA GLU 4 HA GLU 4 53.751 5.990 -4.042 28 HB2 GLU 4 HB2 GLU 4 51.341 5.867 -2.236 29 HB3 GLU 4 HB1 GLU 4 52.443 7.242 -2.158 30 HG2 GLU 4 HG2 GLU 4 52.096 7.732 -4.506 31 HG3 GLU 4 HG1 GLU 4 51.145 6.262 -4.715 32 HA PRO 5 HA PRO 5 57.015 5.570 -1.109 33 HB2 PRO 5 HB2 PRO 5 55.922 8.124 0.037 34 HB3 PRO 5 HB1 PRO 5 57.604 7.680 -0.313 35 HG2 PRO 5 HG2 PRO 5 56.140 9.232 -1.955 36 HG3 PRO 5 HG1 PRO 5 57.402 8.137 -2.540 37 HD2 PRO 5 HD2 PRO 5 54.499 7.951 -2.911 38 HD3 PRO 5 HD1 PRO 5 55.790 7.046 -3.729 39 HA PRO 6 HA PRO 6 54.142 3.712 2.011 40 HB2 PRO 6 HB2 PRO 6 56.612 2.134 2.538 41 HB3 PRO 6 HB1 PRO 6 54.954 1.572 2.254 42 HG2 PRO 6 HG2 PRO 6 56.864 1.325 0.404 43 HG3 PRO 6 HG1 PRO 6 55.177 1.650 -0.028 44 HD2 PRO 6 HD2 PRO 6 57.516 3.520 -0.026 45 HD3 PRO 6 HD1 PRO 6 56.106 3.475 -1.110 46 H LYS 7 HN LYS 7 54.378 3.500 4.414 47 HA LYS 7 HA LYS 7 54.932 4.467 6.477 48 HB2 LYS 7 HB2 LYS 7 57.718 4.617 5.291 49 HB3 LYS 7 HB1 LYS 7 57.295 4.565 7.001 50 HG2 LYS 7 HG2 LYS 7 56.381 2.349 5.188 51 HG3 LYS 7 HG1 LYS 7 58.040 2.353 5.787 52 HD2 LYS 7 HD2 LYS 7 57.366 2.171 8.029 53 HD3 LYS 7 HD1 LYS 7 55.736 2.749 7.684 54 HE2 LYS 7 HE2 LYS 7 56.869 0.114 6.702 55 HE3 LYS 7 HE1 LYS 7 55.807 0.290 8.099 56 HZ1 LYS 7 HZ1 LYS 7 54.673 1.649 5.925 57 HZ2 LYS 7 HZ2 LYS 7 54.073 0.291 6.750 58 HZ3 LYS 7 HZ3 LYS 7 55.094 0.090 5.407 59 H ALA 8 HN ALA 8 56.421 6.487 7.343 60 HA ALA 8 HA ALA 8 55.165 8.829 6.353 61 HB1 ALA 8 HB1 ALA 8 57.696 8.443 7.967 62 HB2 ALA 8 HB2 ALA 8 56.092 8.867 8.565 63 HB3 ALA 8 HB3 ALA 8 57.017 10.033 7.618 64 H GLU 9 HN GLU 9 57.204 10.711 5.956 65 HA GLU 9 HA GLU 9 57.965 10.058 3.185 66 HB2 GLU 9 HB2 GLU 9 57.029 12.329 4.101 67 HB3 GLU 9 HB1 GLU 9 58.696 12.620 4.594 68 HG2 GLU 9 HG2 GLU 9 57.753 11.977 1.783 69 HG3 GLU 9 HG1 GLU 9 58.320 13.546 2.356 70 H1U RCY 10 H1U RCY 10 57.077 10.056 7.367 71 H1S RCY 10 H1S RCY 10 61.543 11.427 7.599 72 HB1 RCY 10 HB1 RCY 10 62.606 12.482 4.444 73 HB2 RCY 10 HB2 RCY 10 63.569 12.003 5.841 74 HA RCY 10 HA RCY 10 62.223 10.126 4.825 75 HN1 RCY 10 HN1 RCY 10 59.883 11.790 5.654 76 H ARG 11 HN ARG 11 60.538 8.865 6.572 77 HA ARG 11 HA ARG 11 60.481 7.798 8.654 78 HE ARG 11 HE ARG 11 62.084 3.565 8.063 79 HB2 ARG 11 HB2 ARG 11 63.366 8.653 8.441 80 HB3 ARG 11 HB1 ARG 11 62.775 7.805 9.867 81 HG2 ARG 11 HG2 ARG 11 62.328 6.761 7.065 82 HG3 ARG 11 HG1 ARG 11 63.748 6.332 8.018 83 HD2 ARG 11 HD2 ARG 11 61.874 5.813 9.859 84 HD3 ARG 11 HD1 ARG 11 60.893 5.561 8.415 85 HH11 ARG 11 HH21 ARG 11 63.856 5.778 10.025 86 HH12 ARG 11 HH22 ARG 11 65.161 4.679 10.319 87 HH21 ARG 11 HH11 ARG 11 63.779 2.116 8.436 88 HH22 ARG 11 HH12 ARG 11 65.118 2.605 9.420 89 H SER 12 HN SER 12 59.855 8.330 10.731 90 HA SER 12 HA SER 12 59.847 11.207 11.401 91 HG SER 12 HG SER 12 59.149 10.687 14.083 92 HB2 SER 12 HB2 SER 12 57.765 9.984 11.726 93 HB3 SER 12 HB1 SER 12 58.581 8.795 12.738 94 H ALA 13 HN ALA 13 60.458 11.840 13.685 95 HA ALA 13 HA ALA 13 62.233 12.036 15.228 96 HB1 ALA 13 HB1 ALA 13 62.682 9.824 16.433 97 HB2 ALA 13 HB2 ALA 13 61.513 9.098 15.329 98 HB3 ALA 13 HB3 ALA 13 61.007 10.374 16.435 99 H THR 14 HN THR 14 63.403 12.297 12.913 100 HA THR 14 HA THR 14 65.136 10.272 11.957 101 HB THR 14 HB THR 14 66.334 12.033 10.832 102 HG1 THR 14 HG1 THR 14 66.763 13.486 12.381 103 HG21 THR 14 HG21 THR 14 64.520 13.243 9.786 104 HG22 THR 14 HG22 THR 14 63.479 12.981 11.186 105 HG23 THR 14 HG23 THR 14 63.944 11.620 10.165 106 H ARG 15 HN ARG 15 66.274 13.107 13.820 107 HA ARG 15 HA ARG 15 67.864 13.224 15.548 108 HE ARG 15 HE ARG 15 67.939 11.707 19.998 109 HB2 ARG 15 HB2 ARG 15 66.537 10.983 16.190 110 HB3 ARG 15 HB1 ARG 15 68.073 10.243 15.744 111 HG2 ARG 15 HG2 ARG 15 69.187 11.964 17.273 112 HG3 ARG 15 HG1 ARG 15 67.570 12.329 17.875 113 HD2 ARG 15 HD2 ARG 15 67.401 9.723 18.181 114 HD3 ARG 15 HD1 ARG 15 69.163 9.798 18.150 115 HH11 ARG 15 HH21 ARG 15 69.140 8.522 19.455 116 HH12 ARG 15 HH22 ARG 15 69.482 8.222 21.126 117 HH21 ARG 15 HH11 ARG 15 68.378 11.334 22.184 118 HH22 ARG 15 HH12 ARG 15 69.051 9.814 22.671 119 H VAL 16 HN VAL 16 68.352 10.577 13.220 120 HA VAL 16 HA VAL 16 70.330 9.821 12.181 121 HB VAL 16 HB VAL 16 71.097 12.717 11.953 122 HG11 VAL 16 HG11 VAL 16 72.273 10.736 10.811 123 HG12 VAL 16 HG12 VAL 16 71.786 12.073 9.770 124 HG13 VAL 16 HG13 VAL 16 70.823 10.596 9.817 125 HG21 VAL 16 HG21 VAL 16 68.689 12.822 11.764 126 HG22 VAL 16 HG22 VAL 16 68.658 11.389 10.736 127 HG23 VAL 16 HG23 VAL 16 69.351 12.894 10.131 128 H MET 17 HN MET 17 72.750 11.719 12.217 129 HA MET 17 HA MET 17 73.643 11.558 15.017 130 HB2 MET 17 HB2 MET 17 74.377 9.564 12.974 131 HB3 MET 17 HB1 MET 17 75.772 10.305 13.756 132 HG2 MET 17 HG2 MET 17 74.958 9.690 15.948 133 HG3 MET 17 HG1 MET 17 73.422 9.142 15.277 134 HE1 MET 17 HE1 MET 17 72.881 7.041 14.464 135 HE2 MET 17 HE2 MET 17 73.369 6.714 16.125 136 HE3 MET 17 HE3 MET 17 73.838 5.603 14.841 137 H GLY 18 HN GLY 18 74.667 12.045 11.628 138 HA2 GLY 18 HA2 GLY 18 76.107 13.653 10.702 139 HA3 GLY 18 HA1 GLY 18 75.373 14.745 11.878 140 H GLY 19 HN GLY 19 76.672 15.508 13.487 141 HA2 GLY 19 HA2 GLY 19 78.454 15.546 15.046 142 HA3 GLY 19 HA1 GLY 19 78.938 13.946 14.481 143 HA PRO 20 HA PRO 20 81.980 17.162 12.927 144 HB2 PRO 20 HB2 PRO 20 83.885 15.011 13.667 145 HB3 PRO 20 HB1 PRO 20 83.921 16.737 14.074 146 HG2 PRO 20 HG2 PRO 20 83.331 14.857 15.884 147 HG3 PRO 20 HG1 PRO 20 82.590 16.466 15.917 148 HD2 PRO 20 HD2 PRO 20 81.407 13.865 15.007 149 HD3 PRO 20 HD1 PRO 20 80.629 15.225 15.850 150 H1U RCY 21 H1U RCY 21 81.302 7.992 5.778 151 H1S RCY 21 H1S RCY 21 82.398 11.454 8.184 152 HB1 RCY 21 HB1 RCY 21 80.688 12.385 8.972 153 HB2 RCY 21 HB2 RCY 21 80.278 12.653 10.666 154 HA RCY 21 HA RCY 21 82.521 14.248 9.492 155 HN1 RCY 21 HN1 RCY 21 80.436 14.930 11.531 156 H THR 22 HN THR 22 81.962 14.581 7.324 157 HA THR 22 HA THR 22 79.373 16.012 6.849 158 HB THR 22 HB THR 22 81.913 16.410 5.259 159 HG1 THR 22 HG1 THR 22 81.018 17.591 7.648 160 HG21 THR 22 HG21 THR 22 79.792 17.112 4.216 161 HG22 THR 22 HG22 THR 22 80.787 18.509 4.624 162 HG23 THR 22 HG23 THR 22 79.411 18.080 5.641 163 HA PRO 23 HA PRO 23 79.173 12.380 4.108 164 HB2 PRO 23 HB2 PRO 23 76.466 12.292 3.875 165 HB3 PRO 23 HB1 PRO 23 77.319 11.695 5.312 166 HG2 PRO 23 HG2 PRO 23 75.841 14.239 4.915 167 HG3 PRO 23 HG1 PRO 23 75.958 13.210 6.351 168 HD2 PRO 23 HD2 PRO 23 77.411 15.555 5.958 169 HD3 PRO 23 HD1 PRO 23 77.857 14.263 7.094 170 H ARG 24 HN ARG 24 77.097 12.297 2.166 171 HA ARG 24 HA ARG 24 76.543 13.109 0.042 172 HE ARG 24 HE ARG 24 73.936 17.052 -0.114 173 HB2 ARG 24 HB2 ARG 24 77.468 15.830 0.988 174 HB3 ARG 24 HB1 ARG 24 76.300 15.463 -0.278 175 HG2 ARG 24 HG2 ARG 24 74.813 14.435 1.446 176 HG3 ARG 24 HG1 ARG 24 75.957 14.943 2.689 177 HD2 ARG 24 HD2 ARG 24 74.527 16.757 2.730 178 HD3 ARG 24 HD1 ARG 24 75.655 17.305 1.490 179 HH11 ARG 24 HH21 ARG 24 73.216 15.454 2.855 180 HH12 ARG 24 HH22 ARG 24 71.585 15.076 2.410 181 HH21 ARG 24 HH11 ARG 24 71.811 16.568 -0.712 182 HH22 ARG 24 HH12 ARG 24 70.789 15.707 0.391 183 H LYS 25 HN LYS 25 79.502 14.705 1.250 184 HA LYS 25 HA LYS 25 81.562 15.053 0.173 185 HB2 LYS 25 HB2 LYS 25 81.124 12.395 0.483 186 HB3 LYS 25 HB1 LYS 25 81.293 12.458 -1.269 187 HG2 LYS 25 HG2 LYS 25 83.513 12.177 -0.583 188 HG3 LYS 25 HG1 LYS 25 83.402 13.930 -0.746 189 HD2 LYS 25 HD2 LYS 25 84.387 13.681 1.368 190 HD3 LYS 25 HD1 LYS 25 82.678 13.873 1.763 191 HE2 LYS 25 HE2 LYS 25 82.836 11.168 1.369 192 HE3 LYS 25 HE1 LYS 25 84.423 11.510 2.057 193 HZ1 LYS 25 HZ1 LYS 25 82.748 12.984 3.591 194 HZ2 LYS 25 HZ2 LYS 25 83.375 11.460 4.005 195 HZ3 LYS 25 HZ3 LYS 25 81.834 11.585 3.299 196 H GLY 26 HN GLY 26 82.097 13.615 -2.480 197 HA2 GLY 26 HA2 GLY 26 81.572 15.786 -4.218 198 HA3 GLY 26 HA1 GLY 26 81.950 14.151 -4.760 199 HA PRO 27 HA PRO 27 77.377 15.591 -5.531 200 HB2 PRO 27 HB2 PRO 27 78.281 15.214 -8.350 201 HB3 PRO 27 HB1 PRO 27 77.230 16.466 -7.662 202 HG2 PRO 27 HG2 PRO 27 79.757 16.972 -8.356 203 HG3 PRO 27 HG1 PRO 27 78.991 17.754 -6.963 204 HD2 PRO 27 HD2 PRO 27 81.035 15.577 -7.010 205 HD3 PRO 27 HD1 PRO 27 80.771 16.853 -5.801 206 HA PRO 28 HA PRO 28 75.823 11.467 -5.964 207 HB2 PRO 28 HB2 PRO 28 74.369 12.400 -8.413 208 HB3 PRO 28 HB1 PRO 28 73.750 11.514 -7.006 209 HG2 PRO 28 HG2 PRO 28 73.310 14.123 -7.316 210 HG3 PRO 28 HG1 PRO 28 73.584 13.409 -5.719 211 HD2 PRO 28 HD2 PRO 28 75.391 15.132 -7.337 212 HD3 PRO 28 HD1 PRO 28 75.319 14.912 -5.575 213 H LYS 29 HN LYS 29 75.839 9.553 -7.451 214 HA LYS 29 HA LYS 29 77.112 9.752 -10.049 215 HB2 LYS 29 HB2 LYS 29 78.858 9.733 -7.845 216 HB3 LYS 29 HB1 LYS 29 78.877 8.073 -8.435 217 HG2 LYS 29 HG2 LYS 29 79.224 10.475 -10.247 218 HG3 LYS 29 HG1 LYS 29 80.580 9.608 -9.525 219 HD2 LYS 29 HD2 LYS 29 79.882 7.536 -10.612 220 HD3 LYS 29 HD1 LYS 29 78.452 8.333 -11.269 221 HE2 LYS 29 HE2 LYS 29 79.985 9.938 -12.459 222 HE3 LYS 29 HE1 LYS 29 81.345 8.950 -11.928 223 HZ1 LYS 29 HZ1 LYS 29 79.124 8.184 -13.728 224 HZ2 LYS 29 HZ2 LYS 29 80.133 7.031 -12.993 225 HZ3 LYS 29 HZ3 LYS 29 80.788 8.182 -14.057 226 H1U RCY 30 H1U RCY 30 76.827 1.254 -12.454 227 H1S RCY 30 H1S RCY 30 73.937 2.777 -9.830 228 HB1 RCY 30 HB1 RCY 30 75.135 5.530 -10.426 229 HB2 RCY 30 HB2 RCY 30 74.078 6.903 -10.098 230 HA RCY 30 HA RCY 30 74.318 6.062 -7.593 231 HN1 RCY 30 HN1 RCY 30 75.549 8.061 -7.539 232 H LYS 31 HN LYS 31 77.088 5.525 -9.785 233 HA LYS 31 HA LYS 31 77.991 3.350 -7.933 234 HB2 LYS 31 HB2 LYS 31 78.803 2.176 -10.031 235 HB3 LYS 31 HB1 LYS 31 77.050 2.257 -9.856 236 HG2 LYS 31 HG2 LYS 31 76.815 3.846 -11.536 237 HG3 LYS 31 HG1 LYS 31 78.454 4.463 -11.323 238 HD2 LYS 31 HD2 LYS 31 78.172 3.141 -13.432 239 HD3 LYS 31 HD1 LYS 31 79.392 2.467 -12.351 240 HE2 LYS 31 HE2 LYS 31 76.579 1.507 -12.046 241 HE3 LYS 31 HE1 LYS 31 77.501 0.928 -13.433 242 HZ1 LYS 31 HZ1 LYS 31 77.676 0.100 -10.763 243 HZ2 LYS 31 HZ2 LYS 31 79.155 0.821 -11.187 244 HZ3 LYS 31 HZ3 LYS 31 78.545 -0.474 -12.102 245 H GLN 32 HN GLN 32 80.032 3.319 -10.472 246 HA GLN 32 HA GLN 32 81.628 5.664 -10.154 247 HB2 GLN 32 HB2 GLN 32 83.523 4.549 -8.862 248 HB3 GLN 32 HB1 GLN 32 82.101 4.964 -7.910 249 HG2 GLN 32 HG2 GLN 32 81.308 2.540 -8.502 250 HG3 GLN 32 HG1 GLN 32 83.013 2.256 -8.852 251 HE21 GLN 32 HE21 GLN 32 80.684 2.568 -6.302 252 HE22 GLN 32 HE22 GLN 32 81.776 2.476 -5.006 253 H ARG 33 HN ARG 33 83.866 3.254 -10.016 254 HA ARG 33 HA ARG 33 83.606 2.500 -12.887 255 HE ARG 33 HE ARG 33 84.549 4.674 -16.603 256 HB2 ARG 33 HB2 ARG 33 85.710 4.169 -11.624 257 HB3 ARG 33 HB1 ARG 33 86.304 2.895 -12.687 258 HG2 ARG 33 HG2 ARG 33 84.030 4.613 -13.623 259 HG3 ARG 33 HG1 ARG 33 85.668 5.266 -13.678 260 HD2 ARG 33 HD2 ARG 33 86.353 3.787 -15.300 261 HD3 ARG 33 HD1 ARG 33 85.281 2.506 -14.733 262 HH11 ARG 33 HH21 ARG 33 83.663 2.035 -14.570 263 HH12 ARG 33 HH22 ARG 33 82.136 1.776 -15.346 264 HH21 ARG 33 HH11 ARG 33 82.561 4.351 -17.629 265 HH22 ARG 33 HH12 ARG 33 81.512 3.087 -17.078 266 H GLN 34 HN GLN 34 84.700 1.826 -9.665 267 HA GLN 34 HA GLN 34 85.167 -0.997 -10.462 268 HB2 GLN 34 HB2 GLN 34 87.189 0.862 -9.262 269 HB3 GLN 34 HB1 GLN 34 87.185 -0.817 -8.723 270 HG2 GLN 34 HG2 GLN 34 87.549 -1.632 -10.938 271 HG3 GLN 34 HG1 GLN 34 87.194 -0.058 -11.651 272 HE21 GLN 34 HE21 GLN 34 89.453 -1.352 -9.135 273 HE22 GLN 34 HE22 GLN 34 90.796 -0.474 -9.689 274 H THR 35 HN THR 35 83.884 -2.178 -9.151 275 HA THR 35 HA THR 35 83.906 -1.824 -6.267 276 HB THR 35 HB THR 35 82.351 -0.083 -6.508 277 HG1 THR 35 HG1 THR 35 80.741 -0.970 -5.488 278 HG21 THR 35 HG21 THR 35 80.417 -0.322 -8.173 279 HG22 THR 35 HG22 THR 35 81.315 -1.679 -8.854 280 HG23 THR 35 HG23 THR 35 82.019 -0.062 -8.863 281 H ARG 36 HN ARG 36 83.410 -3.581 -9.051 282 HA ARG 36 HA ARG 36 81.664 -5.624 -7.825 283 HE ARG 36 HE ARG 36 84.576 -3.893 -9.020 284 HB2 ARG 36 HB2 ARG 36 82.324 -6.773 -10.144 285 HB3 ARG 36 HB1 ARG 36 81.109 -5.502 -10.067 286 HG2 ARG 36 HG2 ARG 36 82.692 -5.005 -11.865 287 HG3 ARG 36 HG1 ARG 36 82.878 -3.818 -10.574 288 HD2 ARG 36 HD2 ARG 36 84.551 -6.271 -10.377 289 HD3 ARG 36 HD1 ARG 36 84.976 -5.124 -11.648 290 HH11 ARG 36 HH21 ARG 36 86.717 -5.423 -11.247 291 HH12 ARG 36 HH22 ARG 36 88.144 -4.716 -10.567 292 HH21 ARG 36 HH11 ARG 36 86.427 -2.961 -8.118 293 HH22 ARG 36 HH12 ARG 36 87.980 -3.322 -8.795 294 H GLN 37 HN GLN 37 84.196 -5.179 -6.529 295 HA GLN 37 HA GLN 37 85.477 -7.842 -7.025 296 HB2 GLN 37 HB2 GLN 37 86.902 -5.944 -7.830 297 HB3 GLN 37 HB1 GLN 37 86.913 -5.306 -6.186 298 HG2 GLN 37 HG2 GLN 37 87.911 -7.427 -5.381 299 HG3 GLN 37 HG1 GLN 37 87.936 -8.032 -7.038 300 HE21 GLN 37 HE21 GLN 37 89.838 -6.454 -4.743 301 HE22 GLN 37 HE22 GLN 37 90.966 -5.739 -5.791 302 H1U RCY 38 H1U RCY 38 83.181 -4.064 -0.587 303 H1S RCY 38 H1S RCY 38 82.389 -8.374 -0.620 304 HB1 RCY 38 HB1 RCY 38 85.313 -10.711 -2.411 305 HB2 RCY 38 HB2 RCY 38 84.452 -10.528 -3.938 306 HA RCY 38 HA RCY 38 84.567 -7.958 -2.675 307 HN1 RCY 38 HN1 RCY 38 85.421 -9.109 -5.241 308 H LYS 39 HN LYS 39 86.082 -9.833 -1.004 309 HA LYS 39 HA LYS 39 88.854 -8.753 -1.359 310 HB2 LYS 39 HB2 LYS 39 87.190 -8.848 1.168 311 HB3 LYS 39 HB1 LYS 39 88.932 -8.573 1.164 312 HG2 LYS 39 HG2 LYS 39 88.447 -6.674 -0.513 313 HG3 LYS 39 HG1 LYS 39 86.763 -6.833 -0.012 314 HD2 LYS 39 HD2 LYS 39 87.505 -5.235 1.502 315 HD3 LYS 39 HD1 LYS 39 87.807 -6.713 2.417 316 HE2 LYS 39 HE2 LYS 39 89.873 -5.681 2.621 317 HE3 LYS 39 HE1 LYS 39 90.138 -6.619 1.151 318 HZ1 LYS 39 HZ1 LYS 39 89.110 -3.845 1.092 319 HZ2 LYS 39 HZ2 LYS 39 89.772 -4.749 -0.186 320 HZ3 LYS 39 HZ3 LYS 39 90.770 -4.192 1.071 321 H SER 40 HN SER 40 88.713 -10.284 1.534 322 HA SER 40 HA SER 40 90.365 -12.442 0.821 323 HG SER 40 HG SER 40 89.657 -13.819 4.070 324 HB2 SER 40 HB2 SER 40 90.223 -11.802 3.123 325 HB3 SER 40 HB1 SER 40 88.484 -12.076 3.160 326 H LYS 41 HN LYS 41 86.959 -12.869 1.859 327 HA LYS 41 HA LYS 41 86.581 -15.487 1.130 328 HB2 LYS 41 HB2 LYS 41 84.190 -14.658 0.355 329 HB3 LYS 41 HB1 LYS 41 84.664 -14.556 2.048 330 HG2 LYS 41 HG2 LYS 41 85.481 -12.227 0.434 331 HG3 LYS 41 HG1 LYS 41 83.734 -12.434 0.567 332 HD2 LYS 41 HD2 LYS 41 84.094 -12.717 3.079 333 HD3 LYS 41 HD1 LYS 41 85.741 -12.144 2.811 334 HE2 LYS 41 HE2 LYS 41 83.185 -10.650 2.159 335 HE3 LYS 41 HE1 LYS 41 84.340 -10.250 3.430 336 HZ1 LYS 41 HZ1 LYS 41 84.378 -9.357 0.833 337 HZ2 LYS 41 HZ2 LYS 41 85.627 -10.506 0.910 338 HZ3 LYS 41 HZ3 LYS 41 85.614 -9.187 1.981 339 HA PRO 42 HA PRO 42 87.296 -15.698 -3.246 340 HB2 PRO 42 HB2 PRO 42 85.936 -18.002 -3.827 341 HB3 PRO 42 HB1 PRO 42 87.490 -17.985 -2.972 342 HG2 PRO 42 HG2 PRO 42 84.738 -18.269 -1.874 343 HG3 PRO 42 HG1 PRO 42 86.231 -19.103 -1.411 344 HD2 PRO 42 HD2 PRO 42 85.194 -17.008 0.018 345 HD3 PRO 42 HD1 PRO 42 86.933 -17.373 -0.042 346 HA PRO 43 HA PRO 43 83.798 -13.997 -5.356 347 HB2 PRO 43 HB2 PRO 43 84.148 -14.940 -7.911 348 HB3 PRO 43 HB1 PRO 43 85.142 -13.655 -7.197 349 HG2 PRO 43 HG2 PRO 43 85.755 -16.546 -7.539 350 HG3 PRO 43 HG1 PRO 43 86.811 -15.136 -7.729 351 HD2 PRO 43 HD2 PRO 43 86.843 -16.730 -5.500 352 HD3 PRO 43 HD1 PRO 43 87.267 -15.004 -5.463 353 H LYS 44 HN LYS 44 81.699 -14.650 -5.171 354 HA LYS 44 HA LYS 44 80.607 -16.867 -6.614 355 HB2 LYS 44 HB2 LYS 44 81.922 -17.633 -4.248 356 HB3 LYS 44 HB1 LYS 44 80.215 -17.634 -3.820 357 HG2 LYS 44 HG2 LYS 44 81.300 -18.980 -6.307 358 HG3 LYS 44 HG1 LYS 44 81.066 -19.822 -4.775 359 HD2 LYS 44 HD2 LYS 44 78.701 -19.415 -4.814 360 HD3 LYS 44 HD1 LYS 44 78.855 -18.291 -6.165 361 HE2 LYS 44 HE2 LYS 44 78.093 -20.769 -6.617 362 HE3 LYS 44 HE1 LYS 44 79.236 -19.993 -7.713 363 HZ1 LYS 44 HZ1 LYS 44 80.994 -21.173 -6.865 364 HZ2 LYS 44 HZ2 LYS 44 79.752 -22.326 -6.751 365 HZ3 LYS 44 HZ3 LYS 44 80.241 -21.460 -5.373 366 H LYS 45 HN LYS 45 78.538 -17.423 -4.557 367 HA LYS 45 HA LYS 45 77.298 -14.727 -4.241 368 HB2 LYS 45 HB2 LYS 45 76.166 -17.116 -5.695 369 HB3 LYS 45 HB1 LYS 45 75.095 -15.935 -4.941 370 HG2 LYS 45 HG2 LYS 45 76.376 -14.139 -6.212 371 HG3 LYS 45 HG1 LYS 45 77.140 -15.446 -7.118 372 HD2 LYS 45 HD2 LYS 45 74.984 -16.227 -7.916 373 HD3 LYS 45 HD1 LYS 45 74.142 -15.056 -6.901 374 HE2 LYS 45 HE2 LYS 45 75.806 -13.399 -8.265 375 HE3 LYS 45 HE1 LYS 45 75.551 -14.655 -9.477 376 HZ1 LYS 45 HZ1 LYS 45 73.628 -12.806 -8.279 377 HZ2 LYS 45 HZ2 LYS 45 73.077 -14.359 -8.694 378 HZ3 LYS 45 HZ3 LYS 45 73.754 -13.349 -9.881 379 H GLY 46 HN GLY 46 78.439 -15.926 -2.120 380 HA2 GLY 46 HA2 GLY 46 77.656 -16.205 0.135 381 HA3 GLY 46 HA1 GLY 46 76.085 -16.701 -0.498 382 H VAL 47 HN VAL 47 78.761 -17.857 1.045 383 HA VAL 47 HA VAL 47 78.037 -20.644 0.394 384 HB VAL 47 HB VAL 47 80.554 -21.164 0.140 385 HG11 VAL 47 HG11 VAL 47 80.455 -20.821 -2.249 386 HG12 VAL 47 HG12 VAL 47 79.272 -19.526 -2.064 387 HG13 VAL 47 HG13 VAL 47 78.821 -21.191 -1.697 388 HG21 VAL 47 HG21 VAL 47 81.182 -18.807 0.898 389 HG22 VAL 47 HG22 VAL 47 80.631 -18.250 -0.683 390 HG23 VAL 47 HG23 VAL 47 81.985 -19.374 -0.566 391 H GLN 48 HN GLN 48 79.304 -18.231 2.461 392 HA GLN 48 HA GLN 48 80.343 -20.143 4.452 393 HB2 GLN 48 HB2 GLN 48 81.390 -17.882 4.043 394 HB3 GLN 48 HB1 GLN 48 79.938 -17.152 4.729 395 HG2 GLN 48 HG2 GLN 48 80.320 -18.559 6.796 396 HG3 GLN 48 HG1 GLN 48 81.882 -19.016 6.115 397 HE21 GLN 48 HE21 GLN 48 80.081 -15.888 6.371 398 HE22 GLN 48 HE22 GLN 48 81.391 -15.024 7.017 399 H GLY 49 HN GLY 49 78.111 -17.392 4.905 400 HA2 GLY 49 HA2 GLY 49 76.107 -19.227 6.092 401 HA3 GLY 49 HA1 GLY 49 76.772 -17.974 7.141 402 H1U RCY 50 H1U RCY 50 77.252 -9.149 5.109 403 H1S RCY 50 H1S RCY 50 73.209 -11.793 4.740 404 HB1 RCY 50 HB1 RCY 50 75.726 -14.684 2.973 405 HB2 RCY 50 HB2 RCY 50 75.428 -14.698 4.711 406 HA RCY 50 HA RCY 50 73.475 -16.314 4.147 407 HN1 RCY 50 HN1 RCY 50 75.873 -17.848 3.687 408 H GLY 51 HN GLY 51 72.462 -15.720 2.106 409 HA2 GLY 51 HA2 GLY 51 72.068 -15.923 -0.214 410 HA3 GLY 51 HA1 GLY 51 73.759 -16.386 -0.417 411 H ASP 52 HN ASP 52 73.101 -18.424 1.874 412 HA ASP 52 HA ASP 52 72.794 -20.704 0.180 413 HB2 ASP 52 HB2 ASP 52 71.972 -21.607 2.650 414 HB3 ASP 52 HB1 ASP 52 73.657 -21.474 2.147 415 H ASP 53 HN ASP 53 70.495 -18.475 1.422 416 HA ASP 53 HA ASP 53 68.325 -19.918 0.093 417 HB2 ASP 53 HB2 ASP 53 68.426 -19.650 3.104 418 HB3 ASP 53 HB1 ASP 53 66.911 -19.874 2.231 419 H ILE 54 HN ILE 54 68.264 -17.620 2.816 420 HA ILE 54 HA ILE 54 66.999 -15.633 0.973 421 HB ILE 54 HB ILE 54 66.832 -15.577 3.987 422 HG12 ILE 54 HG12 ILE 54 64.437 -16.604 3.261 423 HG13 ILE 54 HG11 ILE 54 65.461 -17.362 2.041 424 HG21 ILE 54 HG21 ILE 54 66.166 -13.555 2.745 425 HG22 ILE 54 HG22 ILE 54 64.761 -14.319 3.488 426 HG23 ILE 54 HG23 ILE 54 65.062 -14.516 1.762 427 HD11 ILE 54 HD11 ILE 54 67.022 -17.964 4.021 428 HD12 ILE 54 HD12 ILE 54 65.528 -18.884 3.844 429 HD13 ILE 54 HD13 ILE 54 65.633 -17.595 5.043 430 HA PRO 55 HA PRO 55 70.946 -13.598 1.966 431 HB2 PRO 55 HB2 PRO 55 70.970 -11.883 -0.146 432 HB3 PRO 55 HB1 PRO 55 71.415 -13.594 -0.299 433 HG2 PRO 55 HG2 PRO 55 68.889 -12.226 -1.051 434 HG3 PRO 55 HG1 PRO 55 69.736 -13.560 -1.851 435 HD2 PRO 55 HD2 PRO 55 67.508 -13.863 -0.211 436 HD3 PRO 55 HD1 PRO 55 68.672 -15.152 -0.584 437 H GLY 56 HN GLY 56 70.484 -12.371 3.788 438 HA2 GLY 56 HA2 GLY 56 70.397 -9.991 4.504 439 HA3 GLY 56 HA1 GLY 56 69.105 -9.756 3.325 440 H MET 57 HN MET 57 67.276 -11.581 3.722 441 HA MET 57 HA MET 57 65.430 -11.995 5.130 442 HB2 MET 57 HB2 MET 57 67.017 -13.830 5.709 443 HB3 MET 57 HB1 MET 57 67.683 -12.819 6.991 444 HG2 MET 57 HG2 MET 57 65.831 -13.061 8.335 445 HG3 MET 57 HG1 MET 57 64.725 -13.181 6.966 446 HE1 MET 57 HE1 MET 57 63.765 -14.869 8.836 447 HE2 MET 57 HE2 MET 57 63.809 -16.542 8.286 448 HE3 MET 57 HE3 MET 57 63.331 -15.266 7.169 449 H GLU 58 HN GLU 58 66.452 -9.274 5.244 450 HA GLU 58 HA GLU 58 65.380 -8.553 7.914 451 HB2 GLU 58 HB2 GLU 58 67.229 -6.950 8.301 452 HB3 GLU 58 HB1 GLU 58 67.822 -8.609 8.226 453 HG2 GLU 58 HG2 GLU 58 69.333 -7.463 6.841 454 HG3 GLU 58 HG1 GLU 58 68.170 -8.115 5.687 455 H GLY 59 HN GLY 59 65.881 -7.915 4.573 456 HA2 GLY 59 HA2 GLY 59 63.763 -6.038 4.405 457 HA3 GLY 59 HA1 GLY 59 65.272 -5.128 4.489 458 H1U RCY 60 H1U RCY 60 70.580 -4.885 1.682 459 H1S RCY 60 H1S RCY 60 68.842 -7.326 -1.544 460 HB1 RCY 60 HB1 RCY 60 65.996 -9.880 0.819 461 HB2 RCY 60 HB2 RCY 60 67.355 -9.167 1.685 462 HA RCY 60 HA RCY 60 66.524 -6.942 0.523 463 HN1 RCY 60 HN1 RCY 60 65.955 -8.069 3.082 464 H GLY 61 HN GLY 61 64.328 -5.871 0.295 465 HA2 GLY 61 HA2 GLY 61 62.749 -6.195 -1.672 466 HA3 GLY 61 HA1 GLY 61 62.359 -7.754 -0.945 467 H THR 62 HN THR 62 62.912 -5.446 1.456 468 HA THR 62 HA THR 62 60.095 -4.514 1.509 469 HB THR 62 HB THR 62 59.534 -5.503 3.547 470 HG1 THR 62 HG1 THR 62 61.718 -6.597 4.489 471 HG21 THR 62 HG21 THR 62 61.487 -7.494 2.359 472 HG22 THR 62 HG22 THR 62 59.843 -7.230 1.777 473 HG23 THR 62 HG23 THR 62 60.112 -7.869 3.398 474 H ASP 63 HN ASP 63 62.723 -4.625 3.935 475 HA ASP 63 HA ASP 63 62.321 -1.852 4.637 476 HB2 ASP 63 HB2 ASP 63 63.587 -4.007 5.818 477 HB3 ASP 63 HB1 ASP 63 64.949 -3.005 5.320 478 H ILE 64 HN ILE 64 64.718 -3.565 2.646 479 HA ILE 64 HA ILE 64 66.365 -1.289 2.096 480 HB ILE 64 HB ILE 64 65.874 -3.901 0.667 481 HG12 ILE 64 HG12 ILE 64 68.500 -2.849 1.677 482 HG13 ILE 64 HG11 ILE 64 67.324 -3.476 2.832 483 HG21 ILE 64 HG21 ILE 64 67.915 -3.139 -0.739 484 HG22 ILE 64 HG22 ILE 64 67.460 -1.506 -0.253 485 HG23 ILE 64 HG23 ILE 64 66.331 -2.497 -1.176 486 HD11 ILE 64 HD11 ILE 64 67.837 -5.131 0.410 487 HD12 ILE 64 HD12 ILE 64 67.520 -5.635 2.070 488 HD13 ILE 64 HD13 ILE 64 69.124 -5.062 1.614 489 H THR 65 HN THR 65 63.210 -2.098 1.089 490 HA THR 65 HA THR 65 61.927 -1.390 -0.807 491 HB THR 65 HB THR 65 61.508 0.288 0.911 492 HG1 THR 65 HG1 THR 65 61.972 1.239 -1.703 493 HG21 THR 65 HG21 THR 65 63.758 0.914 1.502 494 HG22 THR 65 HG22 THR 65 62.941 2.368 0.929 495 HG23 THR 65 HG23 THR 65 64.072 1.520 -0.124 496 H VAL 66 HN VAL 66 64.396 -2.200 -1.785 497 HA VAL 66 HA VAL 66 65.694 -1.977 -3.726 498 HB VAL 66 HB VAL 66 64.175 0.555 -4.371 499 HG11 VAL 66 HG11 VAL 66 66.069 -0.066 -5.815 500 HG12 VAL 66 HG12 VAL 66 64.546 -0.247 -6.685 501 HG13 VAL 66 HG13 VAL 66 65.374 -1.669 -6.051 502 HG21 VAL 66 HG21 VAL 66 62.667 -1.176 -5.654 503 HG22 VAL 66 HG22 VAL 66 62.355 -0.856 -3.948 504 HG23 VAL 66 HG23 VAL 66 63.242 -2.304 -4.426 505 H ILE 67 HN ILE 67 64.953 1.146 -2.186 506 HA ILE 67 HA ILE 67 67.882 1.618 -1.910 507 HB ILE 67 HB ILE 67 65.832 3.595 -2.958 508 HG12 ILE 67 HG12 ILE 67 68.220 3.617 -4.450 509 HG13 ILE 67 HG11 ILE 67 67.877 1.914 -4.143 510 HG21 ILE 67 HG21 ILE 67 67.104 4.860 -1.410 511 HG22 ILE 67 HG22 ILE 67 67.903 5.138 -2.957 512 HG23 ILE 67 HG23 ILE 67 68.592 3.998 -1.801 513 HD11 ILE 67 HD11 ILE 67 66.068 3.954 -5.455 514 HD12 ILE 67 HD12 ILE 67 65.490 2.384 -4.897 515 HD13 ILE 67 HD13 ILE 67 66.716 2.473 -6.162 516 H1U RCY 68 H1U RCY 68 73.537 4.232 0.558 517 H1S RCY 68 H1S RCY 68 69.795 3.013 1.411 518 HB1 RCY 68 HB1 RCY 68 67.033 0.579 3.111 519 HB2 RCY 68 HB2 RCY 68 67.811 2.012 3.778 520 HA RCY 68 HA RCY 68 65.774 2.211 2.060 521 HN1 RCY 68 HN1 RCY 68 67.854 1.255 0.331 522 HA PRO 69 HA PRO 69 66.976 6.512 1.776 523 HB2 PRO 69 HB2 PRO 69 65.296 7.488 3.724 524 HB3 PRO 69 HB1 PRO 69 64.772 7.095 2.075 525 HG2 PRO 69 HG2 PRO 69 64.468 5.519 4.577 526 HG3 PRO 69 HG1 PRO 69 63.347 5.715 3.220 527 HD2 PRO 69 HD2 PRO 69 64.895 3.479 3.563 528 HD3 PRO 69 HD1 PRO 69 64.358 4.051 1.969 529 H TRP 70 HN TRP 70 67.014 4.686 4.775 530 HA TRP 70 HA TRP 70 68.537 6.727 6.214 531 HD1 TRP 70 HD1 TRP 70 69.482 2.456 6.596 532 HE1 TRP 70 HE1 TRP 70 68.001 0.494 5.825 533 HE3 TRP 70 HE3 TRP 70 64.901 4.708 6.726 534 HZ2 TRP 70 HZ2 TRP 70 65.233 -0.050 5.327 535 HZ3 TRP 70 HZ3 TRP 70 62.864 3.449 6.100 536 HH2 TRP 70 HH2 TRP 70 63.021 1.077 5.402 537 HB2 TRP 70 HB2 TRP 70 68.847 4.752 7.859 538 HB3 TRP 70 HB1 TRP 70 67.213 5.372 7.624 539 H GLU 71 HN GLU 71 69.415 4.939 3.646 540 HA GLU 71 HA GLU 71 72.247 4.885 4.551 541 HB2 GLU 71 HB2 GLU 71 70.608 2.515 3.788 542 HB3 GLU 71 HB1 GLU 71 72.247 2.584 3.142 543 HG2 GLU 71 HG2 GLU 71 71.725 3.103 6.064 544 HG3 GLU 71 HG1 GLU 71 71.895 1.455 5.457 545 H ALA 72 HN ALA 72 69.888 5.405 2.148 546 HA ALA 72 HA ALA 72 71.338 5.059 -0.253 547 HB1 ALA 72 HB1 ALA 72 69.820 6.672 -1.236 548 HB2 ALA 72 HB2 ALA 72 69.442 7.349 0.349 549 HB3 ALA 72 HB3 ALA 72 68.909 5.718 -0.064 550 H1U RCY 73 H1U RCY 73 77.142 0.132 2.511 551 H1S RCY 73 H1S RCY 73 76.077 4.235 0.238 552 HB1 RCY 73 HB1 RCY 73 76.553 7.649 0.352 553 HB2 RCY 73 HB2 RCY 73 75.885 6.303 -0.570 554 HA RCY 73 HA RCY 73 74.302 8.257 1.127 555 HN1 RCY 73 HN1 RCY 73 73.537 5.656 0.153 556 H ASN 74 HN ASN 74 73.635 6.948 -2.072 557 HA ASN 74 HA ASN 74 73.203 8.085 -4.079 558 HB2 ASN 74 HB2 ASN 74 73.785 10.734 -2.784 559 HB3 ASN 74 HB1 ASN 74 72.598 10.334 -4.024 560 HD21 ASN 74 HD21 ASN 74 70.803 8.741 -3.206 561 HD22 ASN 74 HD22 ASN 74 70.233 8.998 -1.628 562 H HIS 75 HN HIS 75 75.812 9.808 -2.285 563 HA HIS 75 HA HIS 75 77.312 10.287 -4.699 564 HD1 HIS 75 HD1 HIS 75 80.323 9.227 -1.831 565 HD2 HIS 75 HD2 HIS 75 76.667 10.394 -0.197 566 HE1 HIS 75 HE1 HIS 75 80.241 8.254 0.506 567 HE2 HIS 75 HE2 HIS 75 78.021 8.957 1.512 568 HB2 HIS 75 HB2 HIS 75 79.110 11.023 -3.232 569 HB3 HIS 75 HB1 HIS 75 77.576 11.640 -2.622 570 H1U RCY 76 H1U RCY 76 76.138 -1.289 -4.801 571 H1S RCY 76 H1S RCY 76 77.239 3.032 -3.406 572 HB1 RCY 76 HB1 RCY 76 78.262 5.866 -4.707 573 HB2 RCY 76 HB2 RCY 76 77.468 5.407 -3.201 574 HA RCY 76 HA RCY 76 79.478 6.180 -1.946 575 HN1 RCY 76 HN1 RCY 76 78.275 8.191 -1.949 576 H GLU 77 HN GLU 77 79.957 8.506 -4.446 577 HA GLU 77 HA GLU 77 82.250 7.249 -5.684 578 HB2 GLU 77 HB2 GLU 77 80.744 9.173 -6.588 579 HB3 GLU 77 HB1 GLU 77 81.783 10.227 -5.629 580 HG2 GLU 77 HG2 GLU 77 82.792 10.161 -7.783 581 HG3 GLU 77 HG1 GLU 77 83.760 9.071 -6.790 582 H LEU 78 HN LEU 78 82.301 7.388 -2.729 583 HA LEU 78 HA LEU 78 83.900 9.337 -1.583 584 HG LEU 78 HG LEU 78 85.976 8.000 -0.188 585 HB2 LEU 78 HB2 LEU 78 83.045 7.273 -0.428 586 HB3 LEU 78 HB1 LEU 78 84.325 6.355 -1.218 587 HD11 LEU 78 HD11 LEU 78 84.896 8.998 1.997 588 HD12 LEU 78 HD12 LEU 78 83.397 8.878 1.077 589 HD13 LEU 78 HD13 LEU 78 84.729 9.860 0.468 590 HD21 LEU 78 HD21 LEU 78 85.809 6.922 2.082 591 HD22 LEU 78 HD22 LEU 78 85.724 5.773 0.746 592 HD23 LEU 78 HD23 LEU 78 84.253 6.251 1.593 593 H HIS 79 HN HIS 79 84.788 6.983 -3.996 594 HA HIS 79 HA HIS 79 87.165 8.401 -4.724 595 HD1 HIS 79 HD1 HIS 79 87.958 9.386 -2.441 596 HD2 HIS 79 HD2 HIS 79 90.885 6.839 -3.973 597 HE1 HIS 79 HE1 HIS 79 90.152 10.642 -2.287 598 HE2 HIS 79 HE2 HIS 79 91.942 9.103 -3.216 599 HB2 HIS 79 HB2 HIS 79 87.455 6.542 -2.554 600 HB3 HIS 79 HB1 HIS 79 88.301 5.885 -3.951 601 H GLU 80 HN GLU 80 86.976 4.903 -4.625 602 HA GLU 80 HA GLU 80 85.557 4.156 -6.858 603 HB2 GLU 80 HB2 GLU 80 86.757 5.646 -8.329 604 HB3 GLU 80 HB1 GLU 80 88.310 5.184 -7.634 605 HG2 GLU 80 HG2 GLU 80 88.181 2.987 -8.587 606 HG3 GLU 80 HG1 GLU 80 86.496 3.222 -9.054 607 H LEU 81 HN LEU 81 88.656 3.982 -5.260 608 HA LEU 81 HA LEU 81 88.688 1.013 -5.478 609 HG LEU 81 HG LEU 81 92.140 1.217 -6.242 610 HB2 LEU 81 HB2 LEU 81 90.747 3.067 -5.459 611 HB3 LEU 81 HB1 LEU 81 91.016 1.941 -4.134 612 HD11 LEU 81 HD11 LEU 81 91.661 -1.021 -5.891 613 HD12 LEU 81 HD12 LEU 81 89.922 -0.743 -5.806 614 HD13 LEU 81 HD13 LEU 81 90.949 -0.330 -4.433 615 HD21 LEU 81 HD21 LEU 81 89.553 0.417 -7.449 616 HD22 LEU 81 HD22 LEU 81 91.026 0.996 -8.227 617 HD23 LEU 81 HD23 LEU 81 89.907 2.144 -7.493 618 H ALA 82 HN ALA 82 87.404 3.314 -3.629 619 HA ALA 82 HA ALA 82 88.155 2.978 -0.980 620 HB1 ALA 82 HB1 ALA 82 85.861 3.572 -0.384 621 HB2 ALA 82 HB2 ALA 82 85.294 3.102 -1.986 622 HB3 ALA 82 HB3 ALA 82 86.349 4.501 -1.799 623 H GLN 83 HN GLN 83 88.796 0.933 -0.361 624 HA GLN 83 HA GLN 83 88.108 -1.574 -0.889 625 HB2 GLN 83 HB2 GLN 83 87.689 -1.520 1.936 626 HB3 GLN 83 HB1 GLN 83 89.160 -1.950 1.070 627 HG2 GLN 83 HG2 GLN 83 89.624 -0.108 2.613 628 HG3 GLN 83 HG1 GLN 83 89.763 0.463 0.949 629 HE21 GLN 83 HE21 GLN 83 88.726 2.428 0.622 630 HE22 GLN 83 HE22 GLN 83 87.352 2.963 1.464 631 H TYR 84 HN TYR 84 85.966 0.329 1.283 632 HA TYR 84 HA TYR 84 83.549 -0.456 0.021 633 HD1 TYR 84 HD1 TYR 84 85.205 -0.430 3.139 634 HD2 TYR 84 HD2 TYR 84 84.748 -4.534 1.958 635 HE1 TYR 84 HE1 TYR 84 86.968 -1.091 4.754 636 HE2 TYR 84 HE2 TYR 84 86.510 -5.196 3.572 637 HH TYR 84 HH TYR 84 88.642 -3.097 4.926 638 HB2 TYR 84 HB2 TYR 84 82.821 -2.083 1.938 639 HB3 TYR 84 HB1 TYR 84 83.799 -2.710 0.618 640 H GLY 85 HN GLY 85 84.330 1.952 1.089 641 HA2 GLY 85 HA2 GLY 85 83.844 3.562 2.754 642 HA3 GLY 85 HA1 GLY 85 82.237 2.834 2.673 643 H ILE 86 HN ILE 86 85.328 1.512 3.825 644 HA ILE 86 HA ILE 86 85.991 0.709 5.912 645 HB ILE 86 HB ILE 86 85.213 1.717 7.839 646 HG12 ILE 86 HG12 ILE 86 82.569 2.471 7.624 647 HG13 ILE 86 HG11 ILE 86 82.603 0.971 6.696 648 HG21 ILE 86 HG21 ILE 86 84.956 3.936 7.336 649 HG22 ILE 86 HG22 ILE 86 83.631 3.634 6.213 650 HG23 ILE 86 HG23 ILE 86 85.298 3.375 5.700 651 HD11 ILE 86 HD11 ILE 86 83.610 1.328 9.535 652 HD12 ILE 86 HD12 ILE 86 83.704 -0.168 8.605 653 HD13 ILE 86 HD13 ILE 86 82.132 0.492 9.058 654 H1U RCY 87 H1U RCY 87 80.323 1.238 -0.494 655 H1S RCY 87 H1S RCY 87 78.465 -0.231 3.754 656 HB1 RCY 87 HB1 RCY 87 80.524 -2.679 4.553 657 HB2 RCY 87 HB2 RCY 87 81.245 -1.436 3.534 658 HA RCY 87 HA RCY 87 82.170 -2.114 6.343 659 HN1 RCY 87 HN1 RCY 87 82.865 0.083 4.590 Start of MODEL 100 1 HA MET 1 HA MET 1 66.926 13.382 25.467 2 HB2 MET 1 HB2 MET 1 65.042 12.084 26.641 3 HB3 MET 1 HB1 MET 1 65.107 10.977 25.269 4 HG2 MET 1 HG2 MET 1 67.598 10.752 25.707 5 HG3 MET 1 HG1 MET 1 67.332 11.628 27.214 6 HE1 MET 1 HE1 MET 1 66.398 10.867 29.205 7 HE2 MET 1 HE2 MET 1 65.427 9.425 29.493 8 HE3 MET 1 HE3 MET 1 64.767 10.747 28.534 9 H ASN 2 HN ASN 2 64.916 11.605 23.090 10 HA ASN 2 HA ASN 2 66.989 11.801 21.069 11 HB2 ASN 2 HB2 ASN 2 67.655 9.898 22.778 12 HB3 ASN 2 HB1 ASN 2 66.439 8.967 21.905 13 HD21 ASN 2 HD21 ASN 2 69.347 11.006 21.282 14 HD22 ASN 2 HD22 ASN 2 69.838 10.143 19.904 15 H LEU 3 HN LEU 3 66.313 10.315 19.128 16 HA LEU 3 HA LEU 3 63.420 10.724 18.742 17 HG LEU 3 HG LEU 3 65.462 11.930 15.882 18 HB2 LEU 3 HB2 LEU 3 65.400 9.538 16.778 19 HB3 LEU 3 HB1 LEU 3 63.834 10.258 16.419 20 HD11 LEU 3 HD11 LEU 3 64.628 12.676 18.686 21 HD12 LEU 3 HD12 LEU 3 63.450 12.558 17.378 22 HD13 LEU 3 HD13 LEU 3 64.773 13.720 17.271 23 HD21 LEU 3 HD21 LEU 3 67.093 10.633 17.633 24 HD22 LEU 3 HD22 LEU 3 66.668 12.053 18.589 25 HD23 LEU 3 HD23 LEU 3 67.428 12.248 17.009 26 H GLU 4 HN GLU 4 62.303 8.830 17.464 27 HA GLU 4 HA GLU 4 63.064 6.222 18.716 28 HB2 GLU 4 HB2 GLU 4 60.345 7.530 18.532 29 HB3 GLU 4 HB1 GLU 4 60.535 5.797 18.799 30 HG2 GLU 4 HG2 GLU 4 61.943 7.836 20.527 31 HG3 GLU 4 HG1 GLU 4 60.314 7.268 20.897 32 HA PRO 5 HA PRO 5 63.222 4.612 14.573 33 HB2 PRO 5 HB2 PRO 5 61.618 2.388 15.793 34 HB3 PRO 5 HB1 PRO 5 63.055 2.299 14.755 35 HG2 PRO 5 HG2 PRO 5 63.191 1.957 17.408 36 HG3 PRO 5 HG1 PRO 5 64.495 2.718 16.484 37 HD2 PRO 5 HD2 PRO 5 62.606 3.952 18.395 38 HD3 PRO 5 HD1 PRO 5 64.183 4.544 17.830 39 HA PRO 6 HA PRO 6 59.180 5.748 13.015 40 HB2 PRO 6 HB2 PRO 6 59.488 5.039 10.408 41 HB3 PRO 6 HB1 PRO 6 60.320 6.439 11.116 42 HG2 PRO 6 HG2 PRO 6 61.372 3.709 10.562 43 HG3 PRO 6 HG1 PRO 6 62.146 5.286 10.330 44 HD2 PRO 6 HD2 PRO 6 62.660 3.654 12.485 45 HD3 PRO 6 HD1 PRO 6 62.828 5.423 12.534 46 H LYS 7 HN LYS 7 57.179 4.748 12.426 47 HA LYS 7 HA LYS 7 56.883 1.984 13.139 48 HB2 LYS 7 HB2 LYS 7 54.572 2.338 11.980 49 HB3 LYS 7 HB1 LYS 7 54.938 3.277 13.428 50 HG2 LYS 7 HG2 LYS 7 55.407 5.234 12.185 51 HG3 LYS 7 HG1 LYS 7 55.577 4.336 10.676 52 HD2 LYS 7 HD2 LYS 7 53.426 5.512 10.707 53 HD3 LYS 7 HD1 LYS 7 53.159 3.770 10.765 54 HE2 LYS 7 HE2 LYS 7 51.782 5.143 12.412 55 HE3 LYS 7 HE1 LYS 7 52.716 3.823 13.118 56 HZ1 LYS 7 HZ1 LYS 7 53.755 6.590 12.941 57 HZ2 LYS 7 HZ2 LYS 7 54.346 5.306 13.884 58 HZ3 LYS 7 HZ3 LYS 7 52.864 6.039 14.275 59 H ALA 8 HN ALA 8 57.203 0.193 11.897 60 HA ALA 8 HA ALA 8 56.917 0.385 8.955 61 HB1 ALA 8 HB1 ALA 8 59.189 0.724 8.833 62 HB2 ALA 8 HB2 ALA 8 59.222 -1.029 9.019 63 HB3 ALA 8 HB3 ALA 8 59.484 0.011 10.418 64 H GLU 9 HN GLU 9 58.275 -1.937 11.329 65 HA GLU 9 HA GLU 9 57.770 -4.205 11.656 66 HB2 GLU 9 HB2 GLU 9 55.660 -3.136 12.479 67 HB3 GLU 9 HB1 GLU 9 54.983 -3.303 10.860 68 HG2 GLU 9 HG2 GLU 9 54.237 -5.189 12.192 69 HG3 GLU 9 HG1 GLU 9 55.404 -5.776 11.007 70 H1U RCY 10 H1U RCY 10 58.345 -7.735 3.382 71 H1S RCY 10 H1S RCY 10 57.445 -8.105 7.359 72 HB1 RCY 10 HB1 RCY 10 54.522 -6.600 6.730 73 HB2 RCY 10 HB2 RCY 10 53.983 -6.009 8.301 74 HA RCY 10 HA RCY 10 56.858 -5.690 7.461 75 HN1 RCY 10 HN1 RCY 10 55.134 -4.224 9.420 76 H ARG 11 HN ARG 11 57.386 -4.206 5.896 77 HA ARG 11 HA ARG 11 55.688 -2.001 5.149 78 HE ARG 11 HE ARG 11 56.244 -0.293 5.538 79 HB2 ARG 11 HB2 ARG 11 57.810 -3.176 3.354 80 HB3 ARG 11 HB1 ARG 11 57.327 -1.489 3.529 81 HG2 ARG 11 HG2 ARG 11 58.819 -3.172 5.560 82 HG3 ARG 11 HG1 ARG 11 59.443 -1.781 4.671 83 HD2 ARG 11 HD2 ARG 11 57.424 -1.842 6.902 84 HD3 ARG 11 HD1 ARG 11 58.867 -0.841 6.742 85 HH11 ARG 11 HH21 ARG 11 59.647 0.254 5.584 86 HH12 ARG 11 HH22 ARG 11 59.545 1.791 4.792 87 HH21 ARG 11 HH11 ARG 11 56.090 1.711 4.505 88 HH22 ARG 11 HH12 ARG 11 57.531 2.616 4.182 89 H SER 12 HN SER 12 56.180 -2.563 2.185 90 HA SER 12 HA SER 12 53.590 -3.453 1.494 91 HG SER 12 HG SER 12 54.123 -2.855 -1.609 92 HB2 SER 12 HB2 SER 12 55.345 -2.289 0.011 93 HB3 SER 12 HB1 SER 12 56.014 -3.896 -0.257 94 H ALA 13 HN ALA 13 53.470 -5.530 -0.111 95 HA ALA 13 HA ALA 13 54.889 -7.832 1.124 96 HB1 ALA 13 HB1 ALA 13 52.797 -7.652 2.388 97 HB2 ALA 13 HB2 ALA 13 52.739 -9.069 1.339 98 HB3 ALA 13 HB3 ALA 13 51.872 -7.601 0.887 99 H THR 14 HN THR 14 55.848 -7.424 -1.137 100 HA THR 14 HA THR 14 56.137 -8.283 -3.298 101 HB THR 14 HB THR 14 53.625 -9.914 -3.030 102 HG1 THR 14 HG1 THR 14 54.501 -10.339 -1.095 103 HG21 THR 14 HG21 THR 14 54.820 -11.470 -4.371 104 HG22 THR 14 HG22 THR 14 56.369 -10.705 -4.014 105 HG23 THR 14 HG23 THR 14 55.201 -9.890 -5.054 106 H ARG 15 HN ARG 15 55.156 -5.869 -3.343 107 HA ARG 15 HA ARG 15 52.866 -5.979 -5.263 108 HE ARG 15 HE ARG 15 49.609 -7.241 -4.691 109 HB2 ARG 15 HB2 ARG 15 52.954 -4.699 -2.717 110 HB3 ARG 15 HB1 ARG 15 52.998 -3.423 -3.929 111 HG2 ARG 15 HG2 ARG 15 50.684 -3.833 -3.550 112 HG3 ARG 15 HG1 ARG 15 51.052 -4.652 -5.068 113 HD2 ARG 15 HD2 ARG 15 51.565 -6.705 -3.502 114 HD3 ARG 15 HD1 ARG 15 50.550 -5.834 -2.353 115 HH11 ARG 15 HH21 ARG 15 49.181 -4.442 -2.724 116 HH12 ARG 15 HH22 ARG 15 47.497 -4.276 -3.095 117 HH21 ARG 15 HH11 ARG 15 47.412 -7.041 -5.186 118 HH22 ARG 15 HH12 ARG 15 46.496 -5.747 -4.488 119 H VAL 16 HN VAL 16 56.059 -5.489 -5.054 120 HA VAL 16 HA VAL 16 56.487 -2.946 -6.294 121 HB VAL 16 HB VAL 16 58.246 -5.339 -6.815 122 HG11 VAL 16 HG11 VAL 16 58.978 -2.506 -6.054 123 HG12 VAL 16 HG12 VAL 16 58.667 -2.975 -7.725 124 HG13 VAL 16 HG13 VAL 16 59.992 -3.721 -6.832 125 HG21 VAL 16 HG21 VAL 16 59.319 -4.724 -4.571 126 HG22 VAL 16 HG22 VAL 16 57.783 -5.585 -4.483 127 HG23 VAL 16 HG23 VAL 16 57.834 -3.843 -4.217 128 H MET 17 HN MET 17 58.114 -4.541 -8.496 129 HA MET 17 HA MET 17 56.003 -5.393 -10.324 130 HB2 MET 17 HB2 MET 17 56.083 -2.774 -10.290 131 HB3 MET 17 HB1 MET 17 57.562 -2.979 -11.228 132 HG2 MET 17 HG2 MET 17 55.859 -2.814 -12.865 133 HG3 MET 17 HG1 MET 17 56.167 -4.546 -12.735 134 HE1 MET 17 HE1 MET 17 52.253 -3.423 -13.241 135 HE2 MET 17 HE2 MET 17 53.760 -3.667 -14.120 136 HE3 MET 17 HE3 MET 17 53.490 -2.160 -13.248 137 H GLY 18 HN GLY 18 58.990 -5.709 -9.162 138 HA2 GLY 18 HA2 GLY 18 60.497 -6.090 -11.639 139 HA3 GLY 18 HA1 GLY 18 61.051 -6.503 -10.016 140 H GLY 19 HN GLY 19 58.681 -7.579 -12.472 141 HA2 GLY 19 HA2 GLY 19 58.191 -10.147 -11.374 142 HA3 GLY 19 HA1 GLY 19 58.042 -9.753 -13.088 143 HA PRO 20 HA PRO 20 61.336 -13.056 -12.611 144 HB2 PRO 20 HB2 PRO 20 60.496 -13.189 -15.489 145 HB3 PRO 20 HB1 PRO 20 60.859 -14.510 -14.359 146 HG2 PRO 20 HG2 PRO 20 58.355 -13.872 -14.984 147 HG3 PRO 20 HG1 PRO 20 58.796 -14.384 -13.346 148 HD2 PRO 20 HD2 PRO 20 58.085 -11.663 -14.335 149 HD3 PRO 20 HD1 PRO 20 57.885 -12.364 -12.714 150 H1U RCY 21 H1U RCY 21 66.492 -3.477 -10.766 151 H1S RCY 21 H1S RCY 21 65.135 -7.126 -12.497 152 HB1 RCY 21 HB1 RCY 21 65.463 -8.849 -13.215 153 HB2 RCY 21 HB2 RCY 21 65.196 -10.161 -12.068 154 HA RCY 21 HA RCY 21 63.726 -9.701 -14.677 155 HN1 RCY 21 HN1 RCY 21 62.838 -11.200 -12.364 156 H THR 22 HN THR 22 66.013 -9.832 -15.483 157 HA THR 22 HA THR 22 67.233 -12.528 -15.251 158 HB THR 22 HB THR 22 65.690 -12.521 -17.240 159 HG1 THR 22 HG1 THR 22 67.420 -13.873 -17.362 160 HG21 THR 22 HG21 THR 22 67.654 -10.562 -18.437 161 HG22 THR 22 HG22 THR 22 66.142 -10.041 -17.692 162 HG23 THR 22 HG23 THR 22 66.111 -11.099 -19.102 163 HA PRO 23 HA PRO 23 71.078 -10.374 -14.801 164 HB2 PRO 23 HB2 PRO 23 71.945 -12.141 -17.071 165 HB3 PRO 23 HB1 PRO 23 72.772 -11.792 -15.540 166 HG2 PRO 23 HG2 PRO 23 71.401 -14.065 -15.950 167 HG3 PRO 23 HG1 PRO 23 71.514 -13.292 -14.362 168 HD2 PRO 23 HD2 PRO 23 69.176 -13.534 -16.137 169 HD3 PRO 23 HD1 PRO 23 69.236 -13.126 -14.409 170 H ARG 24 HN ARG 24 72.000 -8.540 -15.745 171 HA ARG 24 HA ARG 24 71.975 -8.092 -18.617 172 HE ARG 24 HE ARG 24 68.154 -6.158 -18.364 173 HB2 ARG 24 HB2 ARG 24 70.502 -6.006 -18.397 174 HB3 ARG 24 HB1 ARG 24 69.667 -7.558 -18.350 175 HG2 ARG 24 HG2 ARG 24 69.201 -7.400 -16.089 176 HG3 ARG 24 HG1 ARG 24 70.616 -6.399 -15.762 177 HD2 ARG 24 HD2 ARG 24 68.282 -5.265 -15.683 178 HD3 ARG 24 HD1 ARG 24 69.571 -4.444 -16.563 179 HH11 ARG 24 HH21 ARG 24 67.852 -3.274 -16.499 180 HH12 ARG 24 HH22 ARG 24 66.716 -2.537 -17.579 181 HH21 ARG 24 HH11 ARG 24 66.673 -5.212 -19.785 182 HH22 ARG 24 HH12 ARG 24 66.049 -3.634 -19.439 183 H LYS 25 HN LYS 25 74.249 -7.873 -17.722 184 HA LYS 25 HA LYS 25 74.796 -5.410 -16.197 185 HB2 LYS 25 HB2 LYS 25 76.951 -7.037 -17.509 186 HB3 LYS 25 HB1 LYS 25 76.964 -6.224 -15.944 187 HG2 LYS 25 HG2 LYS 25 75.431 -8.744 -16.648 188 HG3 LYS 25 HG1 LYS 25 76.836 -8.633 -15.588 189 HD2 LYS 25 HD2 LYS 25 74.162 -7.284 -15.109 190 HD3 LYS 25 HD1 LYS 25 74.744 -8.727 -14.278 191 HE2 LYS 25 HE2 LYS 25 75.729 -5.895 -14.060 192 HE3 LYS 25 HE1 LYS 25 75.339 -7.037 -12.774 193 HZ1 LYS 25 HZ1 LYS 25 77.628 -7.049 -12.784 194 HZ2 LYS 25 HZ2 LYS 25 77.740 -6.905 -14.473 195 HZ3 LYS 25 HZ3 LYS 25 77.278 -8.382 -13.772 196 H GLY 26 HN GLY 26 73.631 -5.471 -18.997 197 HA2 GLY 26 HA2 GLY 26 75.442 -4.635 -20.967 198 HA3 GLY 26 HA1 GLY 26 73.778 -4.058 -20.870 199 HA PRO 27 HA PRO 27 74.589 0.035 -19.517 200 HB2 PRO 27 HB2 PRO 27 74.169 -0.738 -16.650 201 HB3 PRO 27 HB1 PRO 27 73.487 0.625 -17.558 202 HG2 PRO 27 HG2 PRO 27 72.066 -1.576 -17.036 203 HG3 PRO 27 HG1 PRO 27 71.868 -0.663 -18.541 204 HD2 PRO 27 HD2 PRO 27 73.105 -3.323 -18.121 205 HD3 PRO 27 HD1 PRO 27 72.415 -2.620 -19.600 206 HA PRO 28 HA PRO 28 79.003 0.034 -18.743 207 HB2 PRO 28 HB2 PRO 28 78.335 2.663 -17.459 208 HB3 PRO 28 HB1 PRO 28 79.623 2.271 -18.615 209 HG2 PRO 28 HG2 PRO 28 77.366 3.505 -19.362 210 HG3 PRO 28 HG1 PRO 28 78.218 2.369 -20.420 211 HD2 PRO 28 HD2 PRO 28 75.630 2.033 -19.029 212 HD3 PRO 28 HD1 PRO 28 76.275 1.159 -20.435 213 H LYS 29 HN LYS 29 80.151 -0.828 -17.044 214 HA LYS 29 HA LYS 29 78.852 -1.153 -14.453 215 HB2 LYS 29 HB2 LYS 29 80.857 -2.404 -13.839 216 HB3 LYS 29 HB1 LYS 29 80.340 -2.896 -15.453 217 HG2 LYS 29 HG2 LYS 29 81.963 -1.075 -16.314 218 HG3 LYS 29 HG1 LYS 29 82.646 -1.108 -14.688 219 HD2 LYS 29 HD2 LYS 29 82.410 -3.457 -16.590 220 HD3 LYS 29 HD1 LYS 29 83.899 -2.647 -16.101 221 HE2 LYS 29 HE2 LYS 29 83.210 -3.248 -13.686 222 HE3 LYS 29 HE1 LYS 29 82.068 -4.367 -14.429 223 HZ1 LYS 29 HZ1 LYS 29 83.942 -5.656 -14.152 224 HZ2 LYS 29 HZ2 LYS 29 85.011 -4.389 -14.523 225 HZ3 LYS 29 HZ3 LYS 29 84.115 -5.136 -15.757 226 H1U RCY 30 H1U RCY 30 78.595 5.428 -6.447 227 H1S RCY 30 H1S RCY 30 79.371 3.593 -9.948 228 HB1 RCY 30 HB1 RCY 30 80.860 1.972 -11.905 229 HB2 RCY 30 HB2 RCY 30 79.215 2.427 -12.351 230 HA RCY 30 HA RCY 30 80.281 3.585 -14.394 231 HN1 RCY 30 HN1 RCY 30 79.459 1.603 -15.339 232 H LYS 31 HN LYS 31 82.114 2.715 -16.018 233 HA LYS 31 HA LYS 31 84.557 1.680 -15.155 234 HB2 LYS 31 HB2 LYS 31 84.395 4.043 -17.034 235 HB3 LYS 31 HB1 LYS 31 85.550 2.709 -17.057 236 HG2 LYS 31 HG2 LYS 31 83.568 1.165 -17.483 237 HG3 LYS 31 HG1 LYS 31 82.608 2.619 -17.760 238 HD2 LYS 31 HD2 LYS 31 85.195 2.078 -19.230 239 HD3 LYS 31 HD1 LYS 31 83.628 1.550 -19.843 240 HE2 LYS 31 HE2 LYS 31 83.918 3.648 -20.869 241 HE3 LYS 31 HE1 LYS 31 82.904 4.022 -19.475 242 HZ1 LYS 31 HZ1 LYS 31 85.746 4.073 -18.957 243 HZ2 LYS 31 HZ2 LYS 31 84.534 5.169 -18.492 244 HZ3 LYS 31 HZ3 LYS 31 85.213 5.258 -20.047 245 H GLN 32 HN GLN 32 86.026 2.369 -13.667 246 HA GLN 32 HA GLN 32 86.876 5.055 -13.327 247 HB2 GLN 32 HB2 GLN 32 84.355 4.526 -12.102 248 HB3 GLN 32 HB1 GLN 32 85.537 4.660 -10.803 249 HG2 GLN 32 HG2 GLN 32 85.238 6.680 -13.045 250 HG3 GLN 32 HG1 GLN 32 84.519 6.862 -11.444 251 HE21 GLN 32 HE21 GLN 32 87.136 5.331 -10.490 252 HE22 GLN 32 HE22 GLN 32 88.263 6.594 -10.366 253 H ARG 33 HN ARG 33 86.459 1.848 -12.031 254 HA ARG 33 HA ARG 33 89.082 2.141 -10.611 255 HE ARG 33 HE ARG 33 86.301 0.716 -11.543 256 HB2 ARG 33 HB2 ARG 33 87.257 -0.013 -9.685 257 HB3 ARG 33 HB1 ARG 33 88.294 1.061 -8.752 258 HG2 ARG 33 HG2 ARG 33 86.253 1.946 -8.149 259 HG3 ARG 33 HG1 ARG 33 86.524 2.882 -9.619 260 HD2 ARG 33 HD2 ARG 33 84.632 0.633 -9.125 261 HD3 ARG 33 HD1 ARG 33 84.427 2.077 -10.116 262 HH11 ARG 33 HH21 ARG 33 83.360 -0.220 -10.006 263 HH12 ARG 33 HH22 ARG 33 83.016 -1.485 -11.138 264 HH21 ARG 33 HH11 ARG 33 85.868 -0.930 -13.030 265 HH22 ARG 33 HH12 ARG 33 84.436 -1.887 -12.850 266 H GLN 34 HN GLN 34 90.614 0.614 -11.152 267 HA GLN 34 HA GLN 34 90.446 -0.890 -13.504 268 HB2 GLN 34 HB2 GLN 34 92.043 -1.887 -11.150 269 HB3 GLN 34 HB1 GLN 34 92.460 -1.932 -12.863 270 HG2 GLN 34 HG2 GLN 34 92.445 0.633 -12.774 271 HG3 GLN 34 HG1 GLN 34 92.429 0.461 -11.019 272 HE21 GLN 34 HE21 GLN 34 94.628 1.403 -10.918 273 HE22 GLN 34 HE22 GLN 34 95.980 0.476 -11.360 274 H THR 35 HN THR 35 90.418 -2.408 -10.280 275 HA THR 35 HA THR 35 88.357 -4.325 -11.306 276 HB THR 35 HB THR 35 89.480 -6.004 -9.741 277 HG1 THR 35 HG1 THR 35 90.781 -3.975 -8.964 278 HG21 THR 35 HG21 THR 35 91.184 -6.595 -11.391 279 HG22 THR 35 HG22 THR 35 91.131 -4.964 -12.061 280 HG23 THR 35 HG23 THR 35 89.733 -6.027 -12.216 281 H ARG 36 HN ARG 36 89.904 -3.284 -8.240 282 HA ARG 36 HA ARG 36 87.519 -2.228 -7.104 283 HE ARG 36 HE ARG 36 84.004 -4.182 -3.966 284 HB2 ARG 36 HB2 ARG 36 87.533 -5.062 -7.164 285 HB3 ARG 36 HB1 ARG 36 87.881 -4.616 -5.496 286 HG2 ARG 36 HG2 ARG 36 85.913 -3.009 -5.638 287 HG3 ARG 36 HG1 ARG 36 85.502 -3.781 -7.170 288 HD2 ARG 36 HD2 ARG 36 84.409 -5.367 -6.004 289 HD3 ARG 36 HD1 ARG 36 85.966 -5.891 -5.361 290 HH11 ARG 36 HH21 ARG 36 87.163 -5.543 -4.195 291 HH12 ARG 36 HH22 ARG 36 87.530 -5.310 -2.519 292 HH21 ARG 36 HH11 ARG 36 84.464 -3.871 -1.775 293 HH22 ARG 36 HH12 ARG 36 86.002 -4.364 -1.148 294 H GLN 37 HN GLN 37 90.600 -2.174 -7.251 295 HA GLN 37 HA GLN 37 91.710 -2.574 -4.679 296 HB2 GLN 37 HB2 GLN 37 93.120 -2.075 -6.606 297 HB3 GLN 37 HB1 GLN 37 92.378 -0.484 -6.775 298 HG2 GLN 37 HG2 GLN 37 94.589 -0.399 -5.609 299 HG3 GLN 37 HG1 GLN 37 93.267 0.208 -4.611 300 HE21 GLN 37 HE21 GLN 37 93.927 -3.241 -5.277 301 HE22 GLN 37 HE22 GLN 37 94.288 -3.649 -3.669 302 H1U RCY 38 H1U RCY 38 82.831 0.664 -2.742 303 H1S RCY 38 H1S RCY 38 87.199 0.202 -0.765 304 HB1 RCY 38 HB1 RCY 38 89.114 -0.430 -1.374 305 HB2 RCY 38 HB2 RCY 38 88.788 0.053 -3.037 306 HA RCY 38 HA RCY 38 90.912 1.522 -2.813 307 HN1 RCY 38 HN1 RCY 38 91.938 -1.157 -2.874 308 H LYS 39 HN LYS 39 89.785 0.445 0.015 309 HA LYS 39 HA LYS 39 90.641 0.417 2.191 310 HB2 LYS 39 HB2 LYS 39 91.662 -1.695 1.215 311 HB3 LYS 39 HB1 LYS 39 93.120 -0.754 0.908 312 HG2 LYS 39 HG2 LYS 39 93.560 -0.440 3.189 313 HG3 LYS 39 HG1 LYS 39 91.888 -0.760 3.652 314 HD2 LYS 39 HD2 LYS 39 93.565 -2.625 4.154 315 HD3 LYS 39 HD1 LYS 39 92.122 -3.101 3.258 316 HE2 LYS 39 HE2 LYS 39 93.281 -3.340 1.251 317 HE3 LYS 39 HE1 LYS 39 94.565 -2.236 1.744 318 HZ1 LYS 39 HZ1 LYS 39 95.563 -4.285 1.940 319 HZ2 LYS 39 HZ2 LYS 39 94.152 -5.053 2.491 320 HZ3 LYS 39 HZ3 LYS 39 95.020 -4.023 3.525 321 H SER 40 HN SER 40 91.211 2.307 3.146 322 HA SER 40 HA SER 40 93.817 3.537 2.429 323 HG SER 40 HG SER 40 90.810 5.744 3.134 324 HB2 SER 40 HB2 SER 40 92.739 5.789 2.299 325 HB3 SER 40 HB1 SER 40 92.237 4.711 0.999 326 H LYS 41 HN LYS 41 91.541 5.469 4.146 327 HA LYS 41 HA LYS 41 93.183 5.338 6.542 328 HB2 LYS 41 HB2 LYS 41 91.212 6.819 7.432 329 HB3 LYS 41 HB1 LYS 41 92.282 7.473 6.194 330 HG2 LYS 41 HG2 LYS 41 89.987 5.919 5.160 331 HG3 LYS 41 HG1 LYS 41 89.561 7.426 5.973 332 HD2 LYS 41 HD2 LYS 41 91.031 8.694 4.520 333 HD3 LYS 41 HD1 LYS 41 91.651 7.214 3.788 334 HE2 LYS 41 HE2 LYS 41 90.003 8.126 2.280 335 HE3 LYS 41 HE1 LYS 41 89.294 6.700 3.038 336 HZ1 LYS 41 HZ1 LYS 41 87.851 7.935 4.242 337 HZ2 LYS 41 HZ2 LYS 41 88.044 9.009 2.940 338 HZ3 LYS 41 HZ3 LYS 41 88.904 9.258 4.384 339 HA PRO 42 HA PRO 42 90.935 2.259 8.786 340 HB2 PRO 42 HB2 PRO 42 90.963 3.785 11.286 341 HB3 PRO 42 HB1 PRO 42 91.902 2.348 10.850 342 HG2 PRO 42 HG2 PRO 42 92.976 4.822 11.161 343 HG3 PRO 42 HG1 PRO 42 93.668 3.568 10.122 344 HD2 PRO 42 HD2 PRO 42 92.072 5.985 9.351 345 HD3 PRO 42 HD1 PRO 42 93.423 5.204 8.495 346 HA PRO 43 HA PRO 43 86.695 3.442 9.387 347 HB2 PRO 43 HB2 PRO 43 85.789 1.722 11.268 348 HB3 PRO 43 HB1 PRO 43 86.323 1.166 9.669 349 HG2 PRO 43 HG2 PRO 43 87.745 1.056 12.275 350 HG3 PRO 43 HG1 PRO 43 87.715 -0.121 10.952 351 HD2 PRO 43 HD2 PRO 43 89.774 1.703 11.409 352 HD3 PRO 43 HD1 PRO 43 89.464 0.887 9.861 353 H LYS 44 HN LYS 44 85.528 5.006 10.483 354 HA LYS 44 HA LYS 44 86.611 5.938 13.090 355 HB2 LYS 44 HB2 LYS 44 84.778 7.156 11.019 356 HB3 LYS 44 HB1 LYS 44 84.927 7.851 12.630 357 HG2 LYS 44 HG2 LYS 44 87.570 7.408 11.839 358 HG3 LYS 44 HG1 LYS 44 86.778 8.008 10.381 359 HD2 LYS 44 HD2 LYS 44 87.555 9.938 11.577 360 HD3 LYS 44 HD1 LYS 44 85.808 9.872 11.810 361 HE2 LYS 44 HE2 LYS 44 87.394 10.246 13.883 362 HE3 LYS 44 HE1 LYS 44 85.993 9.184 14.028 363 HZ1 LYS 44 HZ1 LYS 44 87.285 7.312 13.966 364 HZ2 LYS 44 HZ2 LYS 44 88.328 8.377 14.781 365 HZ3 LYS 44 HZ3 LYS 44 88.553 8.064 13.127 366 H LYS 45 HN LYS 45 83.304 6.647 12.380 367 HA LYS 45 HA LYS 45 82.138 4.388 13.758 368 HB2 LYS 45 HB2 LYS 45 83.193 5.418 15.706 369 HB3 LYS 45 HB1 LYS 45 82.460 6.973 15.311 370 HG2 LYS 45 HG2 LYS 45 80.256 6.151 15.745 371 HG3 LYS 45 HG1 LYS 45 80.820 4.481 15.813 372 HD2 LYS 45 HD2 LYS 45 81.869 4.788 17.895 373 HD3 LYS 45 HD1 LYS 45 81.905 6.543 17.722 374 HE2 LYS 45 HE2 LYS 45 79.318 4.989 17.912 375 HE3 LYS 45 HE1 LYS 45 80.150 5.618 19.334 376 HZ1 LYS 45 HZ1 LYS 45 79.585 7.716 18.844 377 HZ2 LYS 45 HZ2 LYS 45 78.362 6.999 17.907 378 HZ3 LYS 45 HZ3 LYS 45 79.806 7.512 17.175 379 H GLY 46 HN GLY 46 80.745 4.591 11.897 380 HA2 GLY 46 HA2 GLY 46 78.728 5.236 10.891 381 HA3 GLY 46 HA1 GLY 46 78.357 6.096 12.383 382 H VAL 47 HN VAL 47 79.890 8.165 12.610 383 HA VAL 47 HA VAL 47 79.098 10.167 10.955 384 HB VAL 47 HB VAL 47 80.665 10.347 12.954 385 HG11 VAL 47 HG11 VAL 47 82.995 10.127 12.651 386 HG12 VAL 47 HG12 VAL 47 82.860 10.167 10.893 387 HG13 VAL 47 HG13 VAL 47 82.335 8.739 11.786 388 HG21 VAL 47 HG21 VAL 47 80.073 12.337 11.721 389 HG22 VAL 47 HG22 VAL 47 81.188 11.924 10.418 390 HG23 VAL 47 HG23 VAL 47 81.814 12.392 12.000 391 H GLN 48 HN GLN 48 79.207 10.559 8.811 392 HA GLN 48 HA GLN 48 80.446 8.900 6.921 393 HB2 GLN 48 HB2 GLN 48 80.195 10.799 5.335 394 HB3 GLN 48 HB1 GLN 48 78.742 10.542 6.298 395 HG2 GLN 48 HG2 GLN 48 78.894 12.763 6.762 396 HG3 GLN 48 HG1 GLN 48 80.167 12.282 7.884 397 HE21 GLN 48 HE21 GLN 48 80.053 12.604 4.284 398 HE22 GLN 48 HE22 GLN 48 81.435 13.586 4.186 399 H GLY 49 HN GLY 49 82.549 8.586 6.391 400 HA2 GLY 49 HA2 GLY 49 84.584 10.414 7.520 401 HA3 GLY 49 HA1 GLY 49 84.901 8.832 6.808 402 H1U RCY 50 H1U RCY 50 87.041 5.242 0.439 403 H1S RCY 50 H1S RCY 50 84.160 8.756 -0.979 404 HB1 RCY 50 HB1 RCY 50 82.445 10.117 2.071 405 HB2 RCY 50 HB2 RCY 50 83.722 8.907 1.949 406 HA RCY 50 HA RCY 50 85.349 10.602 2.798 407 HN1 RCY 50 HN1 RCY 50 83.269 9.417 4.409 408 H GLY 51 HN GLY 51 82.404 11.861 1.745 409 HA2 GLY 51 HA2 GLY 51 82.636 14.408 3.215 410 HA3 GLY 51 HA1 GLY 51 82.992 14.483 1.489 411 H ASP 52 HN ASP 52 80.651 12.163 2.570 412 HA ASP 52 HA ASP 52 78.575 13.523 1.005 413 HB2 ASP 52 HB2 ASP 52 78.400 10.996 2.675 414 HB3 ASP 52 HB1 ASP 52 77.225 11.538 1.477 415 H ASP 53 HN ASP 53 76.253 13.292 2.242 416 HA ASP 53 HA ASP 53 76.231 13.869 5.059 417 HB2 ASP 53 HB2 ASP 53 77.254 15.974 4.458 418 HB3 ASP 53 HB1 ASP 53 76.089 16.225 3.158 419 H ILE 54 HN ILE 54 74.658 14.192 1.912 420 HA ILE 54 HA ILE 54 72.044 13.618 3.260 421 HB ILE 54 HB ILE 54 72.241 15.169 0.682 422 HG12 ILE 54 HG12 ILE 54 71.818 17.126 2.500 423 HG13 ILE 54 HG11 ILE 54 72.870 16.073 3.447 424 HG21 ILE 54 HG21 ILE 54 70.037 15.888 1.264 425 HG22 ILE 54 HG22 ILE 54 70.212 15.311 2.922 426 HG23 ILE 54 HG23 ILE 54 70.080 14.156 1.595 427 HD11 ILE 54 HD11 ILE 54 74.309 17.594 2.276 428 HD12 ILE 54 HD12 ILE 54 73.458 17.326 0.755 429 HD13 ILE 54 HD13 ILE 54 74.445 16.041 1.452 430 HA PRO 55 HA PRO 55 72.878 10.401 0.054 431 HB2 PRO 55 HB2 PRO 55 72.647 8.222 1.636 432 HB3 PRO 55 HB1 PRO 55 74.140 9.180 1.573 433 HG2 PRO 55 HG2 PRO 55 72.016 9.130 3.644 434 HG3 PRO 55 HG1 PRO 55 73.765 9.332 3.821 435 HD2 PRO 55 HD2 PRO 55 71.880 11.409 3.857 436 HD3 PRO 55 HD1 PRO 55 73.629 11.607 3.613 437 H GLY 56 HN GLY 56 71.365 8.838 -0.871 438 HA2 GLY 56 HA2 GLY 56 69.242 7.878 -1.251 439 HA3 GLY 56 HA1 GLY 56 68.760 8.407 0.362 440 H MET 57 HN MET 57 70.123 10.717 -1.866 441 HA MET 57 HA MET 57 67.498 12.113 -1.929 442 HB2 MET 57 HB2 MET 57 70.358 12.937 -2.263 443 HB3 MET 57 HB1 MET 57 69.119 13.898 -3.071 444 HG2 MET 57 HG2 MET 57 68.887 13.156 -0.153 445 HG3 MET 57 HG1 MET 57 69.763 14.596 -0.674 446 HE1 MET 57 HE1 MET 57 67.790 16.268 0.758 447 HE2 MET 57 HE2 MET 57 67.719 14.585 1.275 448 HE3 MET 57 HE3 MET 57 66.230 15.445 0.888 449 H GLU 58 HN GLU 58 69.654 10.315 -3.964 450 HA GLU 58 HA GLU 58 67.745 10.276 -6.124 451 HB2 GLU 58 HB2 GLU 58 68.864 12.601 -6.296 452 HB3 GLU 58 HB1 GLU 58 70.303 11.723 -6.816 453 HG2 GLU 58 HG2 GLU 58 68.991 10.663 -8.629 454 HG3 GLU 58 HG1 GLU 58 67.569 11.576 -8.123 455 H GLY 59 HN GLY 59 68.915 8.182 -4.821 456 HA2 GLY 59 HA2 GLY 59 71.289 7.276 -6.299 457 HA3 GLY 59 HA1 GLY 59 70.434 6.363 -5.054 458 H1U RCY 60 H1U RCY 60 72.294 1.493 -4.209 459 H1S RCY 60 H1S RCY 60 71.168 1.901 -8.062 460 HB1 RCY 60 HB1 RCY 60 67.469 2.618 -7.912 461 HB2 RCY 60 HB2 RCY 60 68.715 3.048 -6.741 462 HA RCY 60 HA RCY 60 67.843 5.190 -8.624 463 HN1 RCY 60 HN1 RCY 60 68.222 5.552 -5.716 464 H GLY 61 HN GLY 61 66.532 6.234 -5.984 465 HA2 GLY 61 HA2 GLY 61 63.838 5.963 -6.737 466 HA3 GLY 61 HA1 GLY 61 64.155 4.668 -5.579 467 H THR 62 HN THR 62 66.303 6.667 -4.492 468 HA THR 62 HA THR 62 66.412 8.326 -2.838 469 HB THR 62 HB THR 62 63.508 8.990 -3.170 470 HG1 THR 62 HG1 THR 62 63.849 9.047 -5.247 471 HG21 THR 62 HG21 THR 62 64.396 11.276 -2.944 472 HG22 THR 62 HG22 THR 62 66.042 10.642 -2.947 473 HG23 THR 62 HG23 THR 62 64.950 10.256 -1.616 474 H ASP 63 HN ASP 63 63.297 6.572 -2.827 475 HA ASP 63 HA ASP 63 62.982 6.649 0.026 476 HB2 ASP 63 HB2 ASP 63 61.911 4.670 -2.011 477 HB3 ASP 63 HB1 ASP 63 61.354 4.805 -0.343 478 H ILE 64 HN ILE 64 64.999 6.016 0.963 479 HA ILE 64 HA ILE 64 66.583 4.482 1.779 480 HB ILE 64 HB ILE 64 64.070 2.916 1.354 481 HG12 ILE 64 HG12 ILE 64 64.474 2.399 3.752 482 HG13 ILE 64 HG11 ILE 64 66.011 3.260 3.664 483 HG21 ILE 64 HG21 ILE 64 66.791 1.651 1.780 484 HG22 ILE 64 HG22 ILE 64 65.660 1.327 0.467 485 HG23 ILE 64 HG23 ILE 64 65.268 0.827 2.112 486 HD11 ILE 64 HD11 ILE 64 64.869 5.339 3.116 487 HD12 ILE 64 HD12 ILE 64 64.160 4.668 4.585 488 HD13 ILE 64 HD13 ILE 64 63.317 4.504 3.044 489 H THR 65 HN THR 65 65.777 4.789 -1.359 490 HA THR 65 HA THR 65 66.585 3.880 -3.371 491 HB THR 65 HB THR 65 69.060 3.810 -1.621 492 HG1 THR 65 HG1 THR 65 68.486 5.707 -3.598 493 HG21 THR 65 HG21 THR 65 69.897 4.230 -4.201 494 HG22 THR 65 HG22 THR 65 68.580 3.080 -4.433 495 HG23 THR 65 HG23 THR 65 69.932 2.670 -3.378 496 H VAL 66 HN VAL 66 65.176 1.979 -2.109 497 HA VAL 66 HA VAL 66 64.842 -0.333 -2.180 498 HB VAL 66 HB VAL 66 67.628 -0.698 -3.272 499 HG11 VAL 66 HG11 VAL 66 66.246 -2.685 -2.762 500 HG12 VAL 66 HG12 VAL 66 66.518 -2.526 -4.497 501 HG13 VAL 66 HG13 VAL 66 64.967 -2.057 -3.801 502 HG21 VAL 66 HG21 VAL 66 65.256 0.611 -4.555 503 HG22 VAL 66 HG22 VAL 66 66.273 -0.440 -5.541 504 HG23 VAL 66 HG23 VAL 66 66.971 0.973 -4.748 505 H ILE 67 HN ILE 67 68.348 0.065 -1.498 506 HA ILE 67 HA ILE 67 67.828 -1.117 1.194 507 HB ILE 67 HB ILE 67 69.968 -1.988 -0.768 508 HG12 ILE 67 HG12 ILE 67 67.489 -2.872 -0.789 509 HG13 ILE 67 HG11 ILE 67 68.822 -4.023 -0.891 510 HG21 ILE 67 HG21 ILE 67 69.588 -2.515 2.182 511 HG22 ILE 67 HG22 ILE 67 71.041 -1.960 1.350 512 HG23 ILE 67 HG23 ILE 67 70.491 -3.624 1.150 513 HD11 ILE 67 HD11 ILE 67 68.576 -4.708 1.330 514 HD12 ILE 67 HD12 ILE 67 66.901 -4.435 0.850 515 HD13 ILE 67 HD13 ILE 67 67.755 -3.220 1.801 516 H1U RCY 68 H1U RCY 68 74.960 1.580 0.126 517 H1S RCY 68 H1S RCY 68 70.970 4.069 -0.536 518 HB1 RCY 68 HB1 RCY 68 69.973 3.895 3.304 519 HB2 RCY 68 HB2 RCY 68 68.414 3.117 3.051 520 HA RCY 68 HA RCY 68 70.988 1.951 1.963 521 HN1 RCY 68 HN1 RCY 68 68.286 0.727 2.383 522 HA PRO 69 HA PRO 69 72.389 0.369 5.828 523 HB2 PRO 69 HB2 PRO 69 73.259 2.806 7.014 524 HB3 PRO 69 HB1 PRO 69 74.241 1.669 6.075 525 HG2 PRO 69 HG2 PRO 69 72.977 4.199 5.241 526 HG3 PRO 69 HG1 PRO 69 74.442 3.408 4.637 527 HD2 PRO 69 HD2 PRO 69 72.132 3.429 3.210 528 HD3 PRO 69 HD1 PRO 69 73.262 2.055 3.150 529 H TRP 70 HN TRP 70 69.877 2.629 5.594 530 HA TRP 70 HA TRP 70 69.324 2.862 8.457 531 HD1 TRP 70 HD1 TRP 70 70.793 4.248 7.458 532 HE1 TRP 70 HE1 TRP 70 71.507 6.689 7.042 533 HE3 TRP 70 HE3 TRP 70 66.306 6.254 6.077 534 HZ2 TRP 70 HZ2 TRP 70 70.328 9.170 6.230 535 HZ3 TRP 70 HZ3 TRP 70 66.129 8.652 5.489 536 HH2 TRP 70 HH2 TRP 70 68.129 10.112 5.563 537 HB2 TRP 70 HB2 TRP 70 67.605 3.495 6.037 538 HB3 TRP 70 HB1 TRP 70 67.206 3.917 7.700 539 H GLU 71 HN GLU 71 68.398 0.756 5.806 540 HA GLU 71 HA GLU 71 66.364 -0.593 7.502 541 HB2 GLU 71 HB2 GLU 71 67.127 -0.724 4.589 542 HB3 GLU 71 HB1 GLU 71 66.204 -2.038 5.317 543 HG2 GLU 71 HG2 GLU 71 65.332 0.817 5.704 544 HG3 GLU 71 HG1 GLU 71 64.906 -0.049 4.227 545 H ALA 72 HN ALA 72 69.370 -1.338 5.726 546 HA ALA 72 HA ALA 72 69.535 -4.014 6.865 547 HB1 ALA 72 HB1 ALA 72 71.815 -2.484 5.604 548 HB2 ALA 72 HB2 ALA 72 70.538 -3.214 4.631 549 HB3 ALA 72 HB3 ALA 72 71.564 -4.229 5.646 550 H1U RCY 73 H1U RCY 73 73.151 -2.652 2.997 551 H1S RCY 73 H1S RCY 73 72.347 -5.092 6.528 552 HB1 RCY 73 HB1 RCY 73 73.680 -4.743 10.329 553 HB2 RCY 73 HB2 RCY 73 74.893 -3.611 9.732 554 HA RCY 73 HA RCY 73 72.211 -3.023 10.224 555 HN1 RCY 73 HN1 RCY 73 72.428 -3.846 7.424 556 H ASN 74 HN ASN 74 72.171 -0.794 10.445 557 HA ASN 74 HA ASN 74 73.418 1.136 8.847 558 HB2 ASN 74 HB2 ASN 74 73.260 1.323 11.867 559 HB3 ASN 74 HB1 ASN 74 73.218 2.648 10.703 560 HD21 ASN 74 HD21 ASN 74 71.385 -0.401 11.364 561 HD22 ASN 74 HD22 ASN 74 69.863 0.277 11.037 562 H HIS 75 HN HIS 75 74.774 -0.532 11.701 563 HA HIS 75 HA HIS 75 77.288 0.683 11.816 564 HD1 HIS 75 HD1 HIS 75 77.384 0.606 14.528 565 HD2 HIS 75 HD2 HIS 75 79.874 -2.337 12.935 566 HE1 HIS 75 HE1 HIS 75 79.588 0.790 15.762 567 HE2 HIS 75 HE2 HIS 75 81.113 -0.996 14.802 568 HB2 HIS 75 HB2 HIS 75 76.159 -1.398 13.119 569 HB3 HIS 75 HB1 HIS 75 77.242 -2.295 12.056 570 H1U RCY 76 H1U RCY 76 75.301 3.425 4.433 571 H1S RCY 76 H1S RCY 76 78.151 3.242 8.105 572 HB1 RCY 76 HB1 RCY 76 78.294 0.265 7.589 573 HB2 RCY 76 HB2 RCY 76 79.854 -0.084 6.846 574 HA RCY 76 HA RCY 76 79.383 -1.754 8.565 575 HN1 RCY 76 HN1 RCY 76 79.361 0.079 10.836 576 H GLU 77 HN GLU 77 81.017 -2.207 10.501 577 HA GLU 77 HA GLU 77 83.417 -0.612 10.621 578 HB2 GLU 77 HB2 GLU 77 82.675 -3.399 11.488 579 HB3 GLU 77 HB1 GLU 77 84.363 -2.888 11.536 580 HG2 GLU 77 HG2 GLU 77 83.740 -0.950 12.933 581 HG3 GLU 77 HG1 GLU 77 82.052 -1.462 12.890 582 H LEU 78 HN LEU 78 85.175 -0.640 9.268 583 HA LEU 78 HA LEU 78 84.983 -2.071 6.764 584 HG LEU 78 HG LEU 78 87.445 0.085 5.352 585 HB2 LEU 78 HB2 LEU 78 86.273 0.194 7.544 586 HB3 LEU 78 HB1 LEU 78 87.617 -0.943 7.575 587 HD11 LEU 78 HD11 LEU 78 86.446 -2.779 5.293 588 HD12 LEU 78 HD12 LEU 78 88.125 -2.313 5.569 589 HD13 LEU 78 HD13 LEU 78 87.354 -1.957 4.024 590 HD21 LEU 78 HD21 LEU 78 85.477 0.342 4.225 591 HD22 LEU 78 HD22 LEU 78 84.749 0.118 5.815 592 HD23 LEU 78 HD23 LEU 78 84.883 -1.247 4.707 593 H HIS 79 HN HIS 79 84.902 -3.966 8.820 594 HA HIS 79 HA HIS 79 86.684 -5.942 7.991 595 HD1 HIS 79 HD1 HIS 79 90.077 -3.393 8.776 596 HD2 HIS 79 HD2 HIS 79 88.656 -7.074 7.423 597 HE1 HIS 79 HE1 HIS 79 91.628 -4.116 6.909 598 HE2 HIS 79 HE2 HIS 79 90.774 -6.356 6.076 599 HB2 HIS 79 HB2 HIS 79 87.912 -4.016 9.874 600 HB3 HIS 79 HB1 HIS 79 88.117 -5.705 10.330 601 H GLU 80 HN GLU 80 84.339 -6.602 8.512 602 HA GLU 80 HA GLU 80 84.332 -8.263 10.853 603 HB2 GLU 80 HB2 GLU 80 83.950 -6.271 12.124 604 HB3 GLU 80 HB1 GLU 80 82.769 -5.675 10.958 605 HG2 GLU 80 HG2 GLU 80 82.278 -8.323 12.276 606 HG3 GLU 80 HG1 GLU 80 81.964 -6.849 13.193 607 H LEU 81 HN LEU 81 82.014 -6.395 8.859 608 HA LEU 81 HA LEU 81 80.239 -8.723 8.665 609 HG LEU 81 HG LEU 81 81.392 -5.701 7.269 610 HB2 LEU 81 HB2 LEU 81 78.857 -7.210 7.253 611 HB3 LEU 81 HB1 LEU 81 79.259 -6.493 8.813 612 HD11 LEU 81 HD11 LEU 81 78.941 -5.352 5.533 613 HD12 LEU 81 HD12 LEU 81 80.081 -6.676 5.291 614 HD13 LEU 81 HD13 LEU 81 80.621 -5.006 5.124 615 HD21 LEU 81 HD21 LEU 81 80.021 -3.511 7.092 616 HD22 LEU 81 HD22 LEU 81 80.320 -4.154 8.707 617 HD23 LEU 81 HD23 LEU 81 78.752 -4.397 7.937 618 H ALA 82 HN ALA 82 82.447 -6.943 6.523 619 HA ALA 82 HA ALA 82 81.773 -8.411 4.146 620 HB1 ALA 82 HB1 ALA 82 83.719 -7.413 3.176 621 HB2 ALA 82 HB2 ALA 82 84.470 -7.180 4.755 622 HB3 ALA 82 HB3 ALA 82 83.069 -6.212 4.293 623 H GLN 83 HN GLN 83 84.049 -9.499 3.133 624 HA GLN 83 HA GLN 83 85.533 -11.319 3.253 625 HB2 GLN 83 HB2 GLN 83 85.954 -10.264 5.630 626 HB3 GLN 83 HB1 GLN 83 85.006 -11.639 6.196 627 HG2 GLN 83 HG2 GLN 83 86.579 -13.076 4.727 628 HG3 GLN 83 HG1 GLN 83 87.627 -11.657 4.702 629 HE21 GLN 83 HE21 GLN 83 86.087 -14.013 6.911 630 HE22 GLN 83 HE22 GLN 83 87.170 -13.760 8.193 631 H TYR 84 HN TYR 84 82.969 -11.818 2.416 632 HA TYR 84 HA TYR 84 82.692 -14.611 3.026 633 HD1 TYR 84 HD1 TYR 84 79.276 -15.280 2.991 634 HD2 TYR 84 HD2 TYR 84 82.168 -15.257 6.168 635 HE1 TYR 84 HE1 TYR 84 78.662 -17.613 3.568 636 HE2 TYR 84 HE2 TYR 84 81.553 -17.589 6.745 637 HH TYR 84 HH TYR 84 80.348 -19.636 5.079 638 HB2 TYR 84 HB2 TYR 84 81.614 -13.232 5.040 639 HB3 TYR 84 HB1 TYR 84 80.244 -13.146 3.931 640 H GLY 85 HN GLY 85 80.864 -11.729 1.901 641 HA2 GLY 85 HA2 GLY 85 80.504 -13.007 -0.700 642 HA3 GLY 85 HA1 GLY 85 79.009 -12.901 0.228 643 H ILE 86 HN ILE 86 80.308 -10.314 1.431 644 HA ILE 86 HA ILE 86 80.082 -8.018 0.997 645 HB ILE 86 HB ILE 86 80.536 -8.775 -1.901 646 HG12 ILE 86 HG12 ILE 86 82.615 -8.252 0.247 647 HG13 ILE 86 HG11 ILE 86 82.211 -9.851 -0.378 648 HG21 ILE 86 HG21 ILE 86 81.526 -6.547 -2.032 649 HG22 ILE 86 HG22 ILE 86 81.294 -6.312 -0.299 650 HG23 ILE 86 HG23 ILE 86 79.897 -6.418 -1.370 651 HD11 ILE 86 HD11 ILE 86 83.211 -7.536 -2.062 652 HD12 ILE 86 HD12 ILE 86 82.878 -9.171 -2.633 653 HD13 ILE 86 HD13 ILE 86 84.205 -8.883 -1.508 654 H1U RCY 87 H1U RCY 87 77.296 -0.985 3.052 655 H1S RCY 87 H1S RCY 87 75.643 -3.325 -0.881 656 HB1 RCY 87 HB1 RCY 87 76.604 -5.328 0.863 657 HB2 RCY 87 HB2 RCY 87 75.385 -6.362 1.605 658 HA RCY 87 HA RCY 87 75.729 -8.093 0.095 659 HN1 RCY 87 HN1 RCY 87 78.146 -6.987 1.027
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