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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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642761 |
6rva ![]() ![]() |
34408 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 32.208 -19.438 13.814 2 H2 GLY 1 HT2 GLY 1 33.425 -18.300 14.146 3 H3 GLY 1 HT3 GLY 1 31.793 -17.826 14.140 4 HA2 GLY 1 HA2 GLY 1 31.642 -18.252 16.291 5 HA3 GLY 1 HA1 GLY 1 32.035 -19.938 15.948 6 H GLY 2 HN GLY 2 33.622 -16.752 16.217 7 HA2 GLY 2 HA2 GLY 2 36.176 -17.947 16.871 8 HA3 GLY 2 HA1 GLY 2 35.805 -16.226 16.825 9 HA PRO 3 HA PRO 3 35.999 -17.762 21.265 10 HB2 PRO 3 HB2 PRO 3 38.260 -16.434 22.024 11 HB3 PRO 3 HB1 PRO 3 38.283 -18.064 21.325 12 HG2 PRO 3 HG2 PRO 3 38.900 -15.451 20.056 13 HG3 PRO 3 HG1 PRO 3 39.648 -17.036 19.807 14 HD2 PRO 3 HD2 PRO 3 37.791 -15.915 18.090 15 HD3 PRO 3 HD1 PRO 3 38.102 -17.660 18.224 16 H GLU 4 HN GLU 4 34.094 -16.177 20.871 17 HA GLU 4 HA GLU 4 32.907 -14.331 21.549 18 HB2 GLU 4 HB2 GLU 4 35.186 -14.028 23.521 19 HB3 GLU 4 HB1 GLU 4 33.594 -13.279 23.644 20 HG2 GLU 4 HG2 GLU 4 34.075 -16.269 23.547 21 HG3 GLU 4 HG1 GLU 4 33.802 -15.352 25.027 22 H THR 5 HN THR 5 34.385 -13.905 19.299 23 HA THR 5 HA THR 5 35.309 -11.118 19.661 24 HB THR 5 HB THR 5 36.974 -11.501 17.887 25 HG1 THR 5 HG1 THR 5 36.782 -13.213 16.721 26 HG21 THR 5 HG21 THR 5 37.440 -11.918 20.368 27 HG22 THR 5 HG22 THR 5 38.546 -12.686 19.229 28 HG23 THR 5 HG23 THR 5 37.278 -13.635 20.001 29 H LEU 6 HN LEU 6 35.106 -9.785 17.713 30 HA LEU 6 HA LEU 6 32.724 -10.572 16.159 31 HB2 LEU 6 HB2 LEU 6 33.925 -7.826 16.603 32 HB3 LEU 6 HB1 LEU 6 32.411 -8.179 15.771 33 HG LEU 6 HG LEU 6 32.985 -8.874 18.665 34 HD11 LEU 6 HD11 LEU 6 32.774 -6.386 18.065 35 HD12 LEU 6 HD12 LEU 6 31.652 -6.997 19.281 36 HD13 LEU 6 HD13 LEU 6 31.104 -6.744 17.624 37 HD21 LEU 6 HD21 LEU 6 30.555 -9.123 16.874 38 HD22 LEU 6 HD22 LEU 6 30.437 -9.163 18.633 39 HD23 LEU 6 HD23 LEU 6 31.365 -10.398 17.784 40 H CYS 7 HN CYS 7 33.022 -11.164 14.118 41 HA CYS 7 HA CYS 7 34.840 -9.756 12.378 42 HB2 CYS 7 HB2 CYS 7 36.350 -11.354 13.563 43 HB3 CYS 7 HB1 CYS 7 35.381 -12.681 12.921 44 H GLY 8 HN GLY 8 34.148 -9.869 10.304 45 HA2 GLY 8 HA2 GLY 8 33.185 -10.961 8.418 46 HA3 GLY 8 HA1 GLY 8 32.353 -12.060 9.514 47 H ALA 9 HN ALA 9 30.313 -11.695 8.647 48 HA ALA 9 HA ALA 9 29.175 -9.182 8.110 49 HB1 ALA 9 HB1 ALA 9 27.831 -11.779 8.898 50 HB2 ALA 9 HB2 ALA 9 28.190 -11.242 7.257 51 HB3 ALA 9 HB3 ALA 9 27.002 -10.373 8.228 52 H GLU 10 HN GLU 10 29.277 -11.127 11.060 53 HA GLU 10 HA GLU 10 27.453 -9.634 12.596 54 HB2 GLU 10 HB2 GLU 10 29.865 -11.279 13.376 55 HB3 GLU 10 HB1 GLU 10 28.760 -10.570 14.553 56 HG2 GLU 10 HG2 GLU 10 26.895 -11.816 13.652 57 HG3 GLU 10 HG1 GLU 10 27.875 -12.398 12.306 58 H LEU 11 HN LEU 11 30.936 -9.244 12.053 59 HA LEU 11 HA LEU 11 31.380 -7.189 13.927 60 HB2 LEU 11 HB2 LEU 11 33.217 -8.388 12.868 61 HB3 LEU 11 HB1 LEU 11 32.768 -7.738 11.292 62 HG LEU 11 HG LEU 11 33.174 -5.436 12.157 63 HD11 LEU 11 HD11 LEU 11 33.975 -6.977 14.631 64 HD12 LEU 11 HD12 LEU 11 32.761 -5.705 14.500 65 HD13 LEU 11 HD13 LEU 11 34.473 -5.311 14.341 66 HD21 LEU 11 HD21 LEU 11 34.996 -6.412 10.986 67 HD22 LEU 11 HD22 LEU 11 35.403 -7.471 12.336 68 HD23 LEU 11 HD23 LEU 11 35.693 -5.735 12.454 69 H VAL 12 HN VAL 12 30.520 -7.061 10.479 70 HA VAL 12 HA VAL 12 30.543 -4.275 10.217 71 HB VAL 12 HB VAL 12 29.113 -6.466 8.727 72 HG11 VAL 12 HG11 VAL 12 28.609 -4.601 7.036 73 HG12 VAL 12 HG12 VAL 12 28.978 -3.453 8.323 74 HG13 VAL 12 HG13 VAL 12 27.624 -4.568 8.501 75 HG21 VAL 12 HG21 VAL 12 31.220 -4.486 7.821 76 HG22 VAL 12 HG22 VAL 12 30.735 -5.991 7.037 77 HG23 VAL 12 HG23 VAL 12 31.623 -6.037 8.559 78 H ASP 13 HN ASP 13 27.977 -6.517 11.160 79 HA ASP 13 HA ASP 13 25.848 -4.688 11.250 80 HB2 ASP 13 HB2 ASP 13 25.618 -7.170 11.376 81 HB3 ASP 13 HB1 ASP 13 26.254 -7.111 13.019 82 H ALA 14 HN ALA 14 28.236 -5.630 13.698 83 HA ALA 14 HA ALA 14 27.148 -4.175 15.852 84 HB1 ALA 14 HB1 ALA 14 29.083 -5.933 15.781 85 HB2 ALA 14 HB2 ALA 14 29.122 -4.642 16.983 86 HB3 ALA 14 HB3 ALA 14 30.107 -4.520 15.526 87 H LEU 15 HN LEU 15 29.413 -3.268 13.290 88 HA LEU 15 HA LEU 15 30.116 -0.726 14.290 89 HB2 LEU 15 HB2 LEU 15 30.023 -1.854 11.488 90 HB3 LEU 15 HB1 LEU 15 30.630 -0.237 11.847 91 HG LEU 15 HG LEU 15 31.681 -2.684 13.277 92 HD11 LEU 15 HD11 LEU 15 33.453 -2.842 11.665 93 HD12 LEU 15 HD12 LEU 15 32.934 -1.365 10.853 94 HD13 LEU 15 HD13 LEU 15 31.949 -2.824 10.745 95 HD21 LEU 15 HD21 LEU 15 32.174 -0.536 14.330 96 HD22 LEU 15 HD22 LEU 15 32.712 0.131 12.789 97 HD23 LEU 15 HD23 LEU 15 33.646 -1.142 13.571 98 H GLN 16 HN GLN 16 27.480 -1.781 12.171 99 HA GLN 16 HA GLN 16 26.468 0.797 11.583 100 HB2 GLN 16 HB2 GLN 16 25.158 -1.924 11.628 101 HB3 GLN 16 HB1 GLN 16 24.343 -0.462 11.070 102 HG2 GLN 16 HG2 GLN 16 25.966 -0.132 9.324 103 HG3 GLN 16 HG1 GLN 16 26.989 -1.421 9.957 104 HE21 GLN 16 HE21 GLN 16 25.716 -1.257 7.252 105 HE22 GLN 16 HE22 GLN 16 24.743 -2.642 7.124 106 H PHE 17 HN PHE 17 25.743 -1.542 14.145 107 HA PHE 17 HA PHE 17 23.604 -0.113 15.327 108 HB2 PHE 17 HB2 PHE 17 23.854 -2.390 15.930 109 HB3 PHE 17 HB1 PHE 17 25.538 -2.165 16.403 110 HD1 PHE 17 HD1 PHE 17 22.011 -1.464 17.334 111 HD2 PHE 17 HD2 PHE 17 26.136 -1.234 18.543 112 HE1 PHE 17 HE1 PHE 17 21.304 -0.924 19.651 113 HE2 PHE 17 HE2 PHE 17 25.421 -0.702 20.860 114 HZ PHE 17 HZ PHE 17 23.009 -0.547 21.413 115 H VAL 18 HN VAL 18 27.063 -0.248 16.176 116 HA VAL 18 HA VAL 18 26.918 1.560 18.325 117 HB VAL 18 HB VAL 18 29.217 0.851 16.488 118 HG11 VAL 18 HG11 VAL 18 30.629 1.757 18.351 119 HG12 VAL 18 HG12 VAL 18 29.162 2.388 19.096 120 HG13 VAL 18 HG13 VAL 18 29.685 2.999 17.527 121 HG21 VAL 18 HG21 VAL 18 28.663 -0.018 19.337 122 HG22 VAL 18 HG22 VAL 18 29.860 -0.680 18.222 123 HG23 VAL 18 HG23 VAL 18 28.141 -0.951 17.933 124 H CYS 19 HN CYS 19 27.809 2.095 14.923 125 HA CYS 19 HA CYS 19 28.206 4.897 15.209 126 HB2 CYS 19 HB2 CYS 19 27.589 3.257 12.739 127 HB3 CYS 19 HB1 CYS 19 28.193 4.912 12.747 128 H GLY 20 HN GLY 20 25.458 2.912 14.272 129 HA2 GLY 20 HA2 GLY 20 23.196 3.490 14.614 130 HA3 GLY 20 HA1 GLY 20 23.675 5.179 14.753 131 H ASP 21 HN ASP 21 21.720 5.293 13.262 132 HA ASP 21 HA ASP 21 21.841 4.407 10.587 133 HB2 ASP 21 HB2 ASP 21 19.824 5.330 11.859 134 HB3 ASP 21 HB1 ASP 21 20.459 6.932 11.487 135 H ARG 22 HN ARG 22 23.634 6.813 12.205 136 HA ARG 22 HA ARG 22 24.010 8.735 10.201 137 HB2 ARG 22 HB2 ARG 22 25.887 7.780 12.377 138 HB3 ARG 22 HB1 ARG 22 26.138 9.231 11.406 139 HG2 ARG 22 HG2 ARG 22 23.902 10.064 12.184 140 HG3 ARG 22 HG1 ARG 22 23.812 8.675 13.266 141 HD2 ARG 22 HD2 ARG 22 24.680 10.512 14.555 142 HD3 ARG 22 HD1 ARG 22 26.023 9.412 14.242 143 HE ARG 22 HE ARG 22 27.010 11.069 12.945 144 HH11 ARG 22 HH11 ARG 22 23.641 11.788 13.512 145 HH12 ARG 22 HH12 ARG 22 23.740 13.377 12.826 146 HH21 ARG 22 HH21 ARG 22 27.106 13.158 12.048 147 HH22 ARG 22 HH22 ARG 22 25.683 14.145 12.004 148 H GLY 23 HN GLY 23 25.600 5.635 10.807 149 HA2 GLY 23 HA2 GLY 23 26.513 4.292 9.066 150 HA3 GLY 23 HA1 GLY 23 26.721 5.743 8.091 151 H PHE 24 HN PHE 24 28.884 4.541 7.889 152 HA PHE 24 HA PHE 24 30.802 5.912 9.571 153 HB2 PHE 24 HB2 PHE 24 31.996 3.811 10.182 154 HB3 PHE 24 HB1 PHE 24 30.417 3.978 10.944 155 HD1 PHE 24 HD1 PHE 24 32.376 2.179 8.408 156 HD2 PHE 24 HD2 PHE 24 28.529 2.592 10.266 157 HE1 PHE 24 HE1 PHE 24 31.653 0.043 7.396 158 HE2 PHE 24 HE2 PHE 24 27.810 0.456 9.256 159 HZ PHE 24 HZ PHE 24 29.367 -0.821 7.821 160 H TYR 25 HN TYR 25 33.079 5.384 8.863 161 HA TYR 25 HA TYR 25 33.190 4.576 6.030 162 HB2 TYR 25 HB2 TYR 25 34.530 6.503 5.452 163 HB3 TYR 25 HB1 TYR 25 33.035 7.072 6.196 164 HD1 TYR 25 HD1 TYR 25 36.665 6.649 6.634 165 HD2 TYR 25 HD2 TYR 25 33.026 8.028 8.449 166 HE1 TYR 25 HE1 TYR 25 37.980 7.819 8.371 167 HE2 TYR 25 HE2 TYR 25 34.338 9.208 10.189 168 HH TYR 25 HH TYR 25 37.397 8.589 10.918 169 H PHE 26 HN PHE 26 35.487 4.288 5.299 170 HA PHE 26 HA PHE 26 37.062 3.095 7.495 171 HB2 PHE 26 HB2 PHE 26 37.061 2.485 4.526 172 HB3 PHE 26 HB1 PHE 26 38.101 1.707 5.718 173 HD1 PHE 26 HD1 PHE 26 34.682 2.002 4.415 174 HD2 PHE 26 HD2 PHE 26 37.165 0.197 7.417 175 HE1 PHE 26 HE1 PHE 26 32.868 0.397 4.949 176 HE2 PHE 26 HE2 PHE 26 35.352 -1.408 7.952 177 HZ PHE 26 HZ PHE 26 33.203 -1.308 6.718 178 H ASN 27 HN ASN 27 39.184 3.617 7.768 179 HA ASN 27 HA ASN 27 40.074 6.130 6.720 180 HB2 ASN 27 HB2 ASN 27 41.426 4.029 8.418 181 HB3 ASN 27 HB1 ASN 27 42.192 5.550 7.965 182 HD21 ASN 27 HD21 ASN 27 41.557 4.831 10.711 183 HD22 ASN 27 HD22 ASN 27 40.394 5.935 11.267 184 H LYS 28 HN LYS 28 42.002 6.498 5.493 185 HA LYS 28 HA LYS 28 42.202 4.824 3.228 186 HB2 LYS 28 HB2 LYS 28 43.924 7.102 4.211 187 HB3 LYS 28 HB1 LYS 28 44.193 6.286 2.670 188 HG2 LYS 28 HG2 LYS 28 41.858 6.823 2.008 189 HG3 LYS 28 HG1 LYS 28 41.655 7.707 3.520 190 HD2 LYS 28 HD2 LYS 28 43.827 8.343 1.507 191 HD3 LYS 28 HD1 LYS 28 42.257 9.148 1.524 192 HE2 LYS 28 HE2 LYS 28 42.674 9.818 3.895 193 HE3 LYS 28 HE1 LYS 28 44.285 9.111 3.778 194 HZ1 LYS 28 HZ1 LYS 28 44.754 10.616 1.933 195 HZ2 LYS 28 HZ2 LYS 28 44.367 11.469 3.351 196 HZ3 LYS 28 HZ3 LYS 28 43.221 11.321 2.106 197 HA PRO 29 HA PRO 29 45.237 1.872 4.507 198 HB2 PRO 29 HB2 PRO 29 46.584 1.456 2.156 199 HB3 PRO 29 HB1 PRO 29 44.962 0.816 2.482 200 HG2 PRO 29 HG2 PRO 29 45.774 3.213 0.916 201 HG3 PRO 29 HG1 PRO 29 44.512 2.016 0.578 202 HD2 PRO 29 HD2 PRO 29 43.966 4.465 1.616 203 HD3 PRO 29 HD1 PRO 29 42.983 3.030 1.977 204 H THR 30 HN THR 30 46.200 4.900 3.135 205 HA THR 30 HA THR 30 48.739 4.763 4.604 206 HB THR 30 HB THR 30 49.225 4.133 2.248 207 HG1 THR 30 HG1 THR 30 50.953 5.120 2.935 208 HG21 THR 30 HG21 THR 30 48.257 6.931 1.605 209 HG22 THR 30 HG22 THR 30 47.337 5.464 1.270 210 HG23 THR 30 HG23 THR 30 48.881 5.739 0.465 211 H GLY 31 HN GLY 31 49.575 6.801 5.201 212 HA2 GLY 31 HA2 GLY 31 47.983 9.178 4.567 213 HA3 GLY 31 HA1 GLY 31 48.089 8.702 6.259 214 H TYR 32 HN TYR 32 49.981 9.030 7.394 215 HA TYR 32 HA TYR 32 52.245 10.232 5.941 216 HB2 TYR 32 HB2 TYR 32 50.952 12.096 6.836 217 HB3 TYR 32 HB1 TYR 32 50.948 11.354 8.436 218 HD1 TYR 32 HD1 TYR 32 53.177 12.749 5.793 219 HD2 TYR 32 HD2 TYR 32 52.781 11.621 9.919 220 HE1 TYR 32 HE1 TYR 32 55.364 13.808 6.293 221 HE2 TYR 32 HE2 TYR 32 54.967 12.680 10.419 222 HH TYR 32 HH TYR 32 57.154 13.606 8.007 223 H GLY 33 HN GLY 33 54.143 9.382 6.518 224 HA2 GLY 33 HA2 GLY 33 55.787 8.561 7.987 225 HA3 GLY 33 HA1 GLY 33 54.546 8.330 9.215 226 H SER 34 HN SER 34 56.145 6.284 9.081 227 HA SER 34 HA SER 34 54.830 4.285 7.344 228 HB2 SER 34 HB2 SER 34 56.900 2.969 7.555 229 HB3 SER 34 HB1 SER 34 57.221 4.559 6.869 230 HG SER 34 HG SER 34 58.606 3.771 8.677 231 H SER 35 HN SER 35 55.034 5.378 10.520 232 HA SER 35 HA SER 35 55.135 2.989 11.993 233 HB2 SER 35 HB2 SER 35 54.218 4.313 13.801 234 HB3 SER 35 HB1 SER 35 55.397 5.282 12.920 235 HG SER 35 HG SER 35 53.030 6.023 13.455 236 H SER 36 HN SER 36 52.494 4.710 10.409 237 HA SER 36 HA SER 36 50.375 3.200 11.523 238 HB2 SER 36 HB2 SER 36 49.030 4.101 9.683 239 HB3 SER 36 HB1 SER 36 50.027 5.365 10.399 240 HG SER 36 HG SER 36 50.107 4.232 7.893 241 H ARG 37 HN ARG 37 52.404 2.760 8.718 242 HA ARG 37 HA ARG 37 50.982 0.643 7.503 243 HB2 ARG 37 HB2 ARG 37 52.770 1.886 6.347 244 HB3 ARG 37 HB1 ARG 37 53.962 1.182 7.440 245 HG2 ARG 37 HG2 ARG 37 53.377 -1.073 6.661 246 HG3 ARG 37 HG1 ARG 37 52.141 -0.398 5.598 247 HD2 ARG 37 HD2 ARG 37 53.855 0.848 4.367 248 HD3 ARG 37 HD1 ARG 37 55.100 0.226 5.445 249 HE ARG 37 HE ARG 37 53.708 -1.951 4.308 250 HH11 ARG 37 HH11 ARG 37 55.881 0.637 3.445 251 HH12 ARG 37 HH12 ARG 37 56.599 -0.241 2.136 252 HH21 ARG 37 HH21 ARG 37 54.666 -3.080 2.589 253 HH22 ARG 37 HH22 ARG 37 55.917 -2.330 1.654 254 H ARG 38 HN ARG 38 53.607 0.654 9.889 255 HA ARG 38 HA ARG 38 53.952 -2.138 10.064 256 HB2 ARG 38 HB2 ARG 38 55.550 -0.499 10.998 257 HB3 ARG 38 HB1 ARG 38 54.361 -0.057 12.224 258 HG2 ARG 38 HG2 ARG 38 54.353 -2.369 13.067 259 HG3 ARG 38 HG1 ARG 38 55.528 -2.827 11.833 260 HD2 ARG 38 HD2 ARG 38 57.148 -1.227 12.768 261 HD3 ARG 38 HD1 ARG 38 55.976 -0.748 13.994 262 HE ARG 38 HE ARG 38 57.566 -3.166 13.978 263 HH11 ARG 38 HH11 ARG 38 54.654 -1.603 15.106 264 HH12 ARG 38 HH12 ARG 38 54.498 -2.632 16.492 265 HH21 ARG 38 HH21 ARG 38 57.329 -4.500 15.801 266 HH22 ARG 38 HH22 ARG 38 55.996 -4.258 16.881 267 H ALA 39 HN ALA 39 51.867 0.092 11.871 268 HA ALA 39 HA ALA 39 50.774 -1.959 13.543 269 HB1 ALA 39 HB1 ALA 39 48.969 -0.006 13.822 270 HB2 ALA 39 HB2 ALA 39 50.262 0.942 13.088 271 HB3 ALA 39 HB3 ALA 39 50.553 0.073 14.594 272 HA PRO 40 HA PRO 40 47.533 -3.430 10.943 273 HB2 PRO 40 HB2 PRO 40 45.534 -3.924 12.741 274 HB3 PRO 40 HB1 PRO 40 47.004 -4.911 12.629 275 HG2 PRO 40 HG2 PRO 40 46.291 -2.794 14.585 276 HG3 PRO 40 HG1 PRO 40 47.177 -4.309 14.823 277 HD2 PRO 40 HD2 PRO 40 48.380 -1.836 14.608 278 HD3 PRO 40 HD1 PRO 40 49.189 -3.374 14.241 279 H GLN 41 HN GLN 41 47.568 -0.901 10.340 280 HA GLN 41 HA GLN 41 44.947 0.288 10.935 281 HB2 GLN 41 HB2 GLN 41 47.394 1.495 9.623 282 HB3 GLN 41 HB1 GLN 41 45.894 2.353 9.980 283 HG2 GLN 41 HG2 GLN 41 47.688 1.015 12.025 284 HG3 GLN 41 HG1 GLN 41 47.576 2.751 11.741 285 HE21 GLN 41 HE21 GLN 41 46.567 0.536 13.920 286 HE22 GLN 41 HE22 GLN 41 45.064 1.194 14.352 287 H THR 42 HN THR 42 45.842 -1.926 8.898 288 HA THR 42 HA THR 42 45.410 -0.946 6.305 289 HB THR 42 HB THR 42 44.844 -3.697 7.431 290 HG1 THR 42 HG1 THR 42 46.971 -3.309 7.660 291 HG21 THR 42 HG21 THR 42 43.705 -3.409 5.314 292 HG22 THR 42 HG22 THR 42 45.147 -4.385 5.036 293 HG23 THR 42 HG23 THR 42 45.139 -2.678 4.595 294 H GLY 43 HN GLY 43 43.169 -2.308 8.682 295 HA2 GLY 43 HA2 GLY 43 40.980 -0.764 7.625 296 HA3 GLY 43 HA1 GLY 43 40.829 -2.485 7.282 297 H ILE 44 HN ILE 44 39.130 -0.822 8.973 298 HA ILE 44 HA ILE 44 39.667 -1.294 11.723 299 HB ILE 44 HB ILE 44 37.365 -0.619 12.096 300 HG12 ILE 44 HG12 ILE 44 37.042 -0.872 9.087 301 HG13 ILE 44 HG11 ILE 44 36.354 -1.980 10.269 302 HG21 ILE 44 HG21 ILE 44 38.554 0.920 9.768 303 HG22 ILE 44 HG22 ILE 44 39.045 1.110 11.451 304 HG23 ILE 44 HG23 ILE 44 37.410 1.545 10.955 305 HD11 ILE 44 HD11 ILE 44 35.667 0.920 9.822 306 HD12 ILE 44 HD12 ILE 44 35.245 0.085 11.317 307 HD13 ILE 44 HD13 ILE 44 34.598 -0.480 9.776 308 H VAL 45 HN VAL 45 38.149 -3.163 9.194 309 HA VAL 45 HA VAL 45 36.789 -5.041 10.798 310 HB VAL 45 HB VAL 45 37.916 -5.211 8.006 311 HG11 VAL 45 HG11 VAL 45 37.884 -7.483 8.813 312 HG12 VAL 45 HG12 VAL 45 36.422 -7.264 7.850 313 HG13 VAL 45 HG13 VAL 45 36.328 -7.235 9.609 314 HG21 VAL 45 HG21 VAL 45 35.607 -4.938 7.349 315 HG22 VAL 45 HG22 VAL 45 35.959 -3.683 8.537 316 HG23 VAL 45 HG23 VAL 45 35.056 -5.122 9.013 317 H ASP 46 HN ASP 46 40.026 -5.117 9.355 318 HA ASP 46 HA ASP 46 40.742 -7.659 10.356 319 HB2 ASP 46 HB2 ASP 46 42.370 -5.289 9.446 320 HB3 ASP 46 HB1 ASP 46 43.112 -6.797 9.982 321 H GLU 47 HN GLU 47 41.096 -4.391 11.683 322 HA GLU 47 HA GLU 47 42.773 -5.052 13.836 323 HB2 GLU 47 HB2 GLU 47 42.288 -2.741 13.135 324 HB3 GLU 47 HB1 GLU 47 40.623 -2.925 13.683 325 HG2 GLU 47 HG2 GLU 47 41.388 -3.303 15.977 326 HG3 GLU 47 HG1 GLU 47 43.067 -3.200 15.451 327 H CYS 48 HN CYS 48 39.213 -4.765 13.749 328 HA CYS 48 HA CYS 48 38.857 -5.693 16.435 329 HB2 CYS 48 HB2 CYS 48 36.912 -5.468 14.128 330 HB3 CYS 48 HB1 CYS 48 36.479 -5.900 15.777 331 H CYS 49 HN CYS 49 38.665 -7.225 13.250 332 HA CYS 49 HA CYS 49 37.654 -9.711 14.052 333 HB2 CYS 49 HB2 CYS 49 37.770 -9.007 11.697 334 HB3 CYS 49 HB1 CYS 49 39.531 -9.086 11.757 335 H PHE 50 HN PHE 50 41.032 -8.658 13.602 336 HA PHE 50 HA PHE 50 42.026 -11.161 14.633 337 HB2 PHE 50 HB2 PHE 50 43.307 -8.611 13.666 338 HB3 PHE 50 HB1 PHE 50 44.267 -9.880 14.433 339 HD1 PHE 50 HD1 PHE 50 41.830 -9.208 11.690 340 HD2 PHE 50 HD2 PHE 50 44.927 -11.788 13.179 341 HE1 PHE 50 HE1 PHE 50 41.845 -10.416 9.526 342 HE2 PHE 50 HE2 PHE 50 44.945 -13.005 11.016 343 HZ PHE 50 HZ PHE 50 43.408 -12.324 9.190 344 H ARG 51 HN ARG 51 42.835 -7.819 15.583 345 HA ARG 51 HA ARG 51 43.354 -8.637 18.301 346 HB2 ARG 51 HB2 ARG 51 43.357 -5.895 17.025 347 HB3 ARG 51 HB1 ARG 51 43.926 -6.266 18.653 348 HG2 ARG 51 HG2 ARG 51 45.600 -7.820 17.722 349 HG3 ARG 51 HG1 ARG 51 45.037 -7.451 16.091 350 HD2 ARG 51 HD2 ARG 51 46.979 -6.090 16.512 351 HD3 ARG 51 HD1 ARG 51 45.569 -5.036 16.536 352 HE ARG 51 HE ARG 51 46.166 -5.975 19.161 353 HH11 ARG 51 HH11 ARG 51 47.220 -3.768 16.676 354 HH12 ARG 51 HH12 ARG 51 47.940 -2.661 17.795 355 HH21 ARG 51 HH21 ARG 51 47.119 -4.508 20.606 356 HH22 ARG 51 HH22 ARG 51 47.883 -3.075 20.004 357 H SER 52 HN SER 52 42.351 -7.483 20.152 358 HA SER 52 HA SER 52 39.455 -7.363 19.790 359 HB2 SER 52 HB2 SER 52 40.292 -8.638 21.685 360 HB3 SER 52 HB1 SER 52 41.200 -7.243 22.262 361 HG SER 52 HG SER 52 39.443 -6.593 23.193 362 H CYS 53 HN CYS 53 38.879 -5.434 18.895 363 HA CYS 53 HA CYS 53 40.091 -2.951 19.808 364 HB2 CYS 53 HB2 CYS 53 38.729 -1.900 18.090 365 HB3 CYS 53 HB1 CYS 53 39.524 -3.320 17.414 366 H ASP 54 HN ASP 54 39.197 -1.505 21.170 367 HA ASP 54 HA ASP 54 37.022 -2.331 22.836 368 HB2 ASP 54 HB2 ASP 54 38.598 0.236 22.638 369 HB3 ASP 54 HB1 ASP 54 37.304 -0.009 23.810 370 H LEU 55 HN LEU 55 34.997 -1.300 23.112 371 HA LEU 55 HA LEU 55 33.638 -0.670 20.720 372 HB2 LEU 55 HB2 LEU 55 32.909 -0.244 23.626 373 HB3 LEU 55 HB1 LEU 55 31.802 0.078 22.291 374 HG LEU 55 HG LEU 55 33.170 -2.593 22.699 375 HD11 LEU 55 HD11 LEU 55 31.645 -1.962 24.605 376 HD12 LEU 55 HD12 LEU 55 31.119 -3.386 23.708 377 HD13 LEU 55 HD13 LEU 55 30.330 -1.833 23.437 378 HD21 LEU 55 HD21 LEU 55 32.446 -2.377 20.443 379 HD22 LEU 55 HD22 LEU 55 30.963 -1.546 20.910 380 HD23 LEU 55 HD23 LEU 55 31.147 -3.270 21.234 381 H ARG 56 HN ARG 56 35.005 1.361 23.282 382 HA ARG 56 HA ARG 56 33.976 3.831 22.423 383 HB2 ARG 56 HB2 ARG 56 35.067 3.507 24.606 384 HB3 ARG 56 HB1 ARG 56 36.613 3.257 23.794 385 HG2 ARG 56 HG2 ARG 56 36.519 5.516 22.854 386 HG3 ARG 56 HG1 ARG 56 34.934 5.773 23.585 387 HD2 ARG 56 HD2 ARG 56 35.902 5.499 25.820 388 HD3 ARG 56 HD1 ARG 56 37.483 5.189 25.111 389 HE ARG 56 HE ARG 56 36.575 7.669 24.154 390 HH11 ARG 56 HH11 ARG 56 37.533 6.133 27.135 391 HH12 ARG 56 HH12 ARG 56 38.114 7.602 27.844 392 HH21 ARG 56 HH21 ARG 56 37.344 9.579 25.106 393 HH22 ARG 56 HH22 ARG 56 38.009 9.539 26.706 394 H ARG 57 HN ARG 57 37.062 2.215 21.621 395 HA ARG 57 HA ARG 57 38.012 4.220 19.876 396 HB2 ARG 57 HB2 ARG 57 39.417 2.404 20.897 397 HB3 ARG 57 HB1 ARG 57 38.645 1.258 19.802 398 HG2 ARG 57 HG2 ARG 57 39.469 2.421 17.882 399 HG3 ARG 57 HG1 ARG 57 40.069 3.744 18.881 400 HD2 ARG 57 HD2 ARG 57 41.807 2.456 19.777 401 HD3 ARG 57 HD1 ARG 57 41.016 0.935 19.379 402 HE ARG 57 HE ARG 57 41.481 2.083 16.955 403 HH11 ARG 57 HH11 ARG 57 43.423 1.322 19.749 404 HH12 ARG 57 HH12 ARG 57 44.868 1.052 18.833 405 HH21 ARG 57 HH21 ARG 57 43.411 1.720 15.763 406 HH22 ARG 57 HH22 ARG 57 44.862 1.274 16.598 407 H LEU 58 HN LEU 58 35.992 1.363 19.425 408 HA LEU 58 HA LEU 58 35.982 1.264 16.628 409 HB2 LEU 58 HB2 LEU 58 34.961 -0.378 18.352 410 HB3 LEU 58 HB1 LEU 58 33.534 0.654 18.261 411 HG LEU 58 HG LEU 58 33.648 0.381 15.729 412 HD11 LEU 58 HD11 LEU 58 34.868 -1.839 15.120 413 HD12 LEU 58 HD12 LEU 58 35.760 -1.585 16.620 414 HD13 LEU 58 HD13 LEU 58 35.845 -0.386 15.331 415 HD21 LEU 58 HD21 LEU 58 33.156 -1.983 17.557 416 HD22 LEU 58 HD22 LEU 58 32.739 -1.998 15.844 417 HD23 LEU 58 HD23 LEU 58 31.966 -0.841 16.929 418 H ASP 59 HN ASP 59 34.192 3.280 18.865 419 HA ASP 59 HA ASP 59 32.254 4.283 17.086 420 HB2 ASP 59 HB2 ASP 59 32.309 4.527 19.614 421 HB3 ASP 59 HB1 ASP 59 33.464 5.835 19.368 422 H MET 60 HN MET 60 35.629 4.913 17.357 423 HA MET 60 HA MET 60 35.753 7.528 16.318 424 HB2 MET 60 HB2 MET 60 37.721 5.240 16.191 425 HB3 MET 60 HB1 MET 60 38.084 6.879 15.655 426 HG2 MET 60 HG2 MET 60 37.667 7.765 17.872 427 HG3 MET 60 HG1 MET 60 37.114 6.191 18.443 428 HE1 MET 60 HE1 MET 60 41.273 7.713 17.524 429 HE2 MET 60 HE2 MET 60 39.703 8.331 17.015 430 HE3 MET 60 HE3 MET 60 40.454 7.010 16.122 431 H TYR 61 HN TYR 61 35.473 4.386 14.781 432 HA TYR 61 HA TYR 61 35.960 5.351 12.095 433 HB2 TYR 61 HB2 TYR 61 34.508 2.812 12.835 434 HB3 TYR 61 HB1 TYR 61 35.456 3.162 11.396 435 HD1 TYR 61 HD1 TYR 61 35.609 1.358 14.330 436 HD2 TYR 61 HD2 TYR 61 37.939 4.159 12.061 437 HE1 TYR 61 HE1 TYR 61 37.671 0.523 15.417 438 HE2 TYR 61 HE2 TYR 61 40.006 3.329 13.150 439 HH TYR 61 HH TYR 61 40.810 1.361 14.295 440 H CYS 62 HN CYS 62 33.331 5.639 14.212 441 HA CYS 62 HA CYS 62 31.229 5.479 12.260 442 HB2 CYS 62 HB2 CYS 62 31.292 6.749 15.008 443 HB3 CYS 62 HB1 CYS 62 29.843 6.465 14.047 444 H ALA 63 HN ALA 63 29.864 7.372 11.693 445 HA ALA 63 HA ALA 63 31.413 9.439 10.580 446 HB1 ALA 63 HB1 ALA 63 29.025 8.443 9.961 447 HB2 ALA 63 HB2 ALA 63 29.467 10.095 9.541 448 HB3 ALA 63 HB3 ALA 63 28.473 9.785 10.964 449 HA PRO 64 HA PRO 64 31.704 12.628 13.581 450 HB2 PRO 64 HB2 PRO 64 30.050 14.382 11.818 451 HB3 PRO 64 HB1 PRO 64 31.661 14.669 12.502 452 HG2 PRO 64 HG2 PRO 64 31.338 14.052 9.937 453 HG3 PRO 64 HG1 PRO 64 32.721 13.454 10.870 454 HD2 PRO 64 HD2 PRO 64 30.286 11.963 9.960 455 HD3 PRO 64 HD1 PRO 64 31.951 11.389 10.196 456 H LEU 65 HN LEU 65 30.586 13.368 15.361 457 HA LEU 65 HA LEU 65 27.650 12.990 15.341 458 HB2 LEU 65 HB2 LEU 65 29.552 12.765 17.690 459 HB3 LEU 65 HB1 LEU 65 27.816 12.458 17.718 460 HG LEU 65 HG LEU 65 29.838 10.928 16.053 461 HD11 LEU 65 HD11 LEU 65 29.141 9.052 17.608 462 HD12 LEU 65 HD12 LEU 65 28.364 10.275 18.614 463 HD13 LEU 65 HD13 LEU 65 30.110 10.319 18.360 464 HD21 LEU 65 HD21 LEU 65 27.723 10.935 14.921 465 HD22 LEU 65 HD22 LEU 65 26.844 10.688 16.430 466 HD23 LEU 65 HD23 LEU 65 27.833 9.388 15.762 467 H LYS 66 HN LYS 66 26.350 14.541 16.265 468 HA LYS 66 HA LYS 66 27.704 17.092 16.809 469 HB2 LYS 66 HB2 LYS 66 24.863 16.574 15.899 470 HB3 LYS 66 HB1 LYS 66 25.577 18.164 16.172 471 HG2 LYS 66 HG2 LYS 66 26.692 16.137 14.220 472 HG3 LYS 66 HG1 LYS 66 25.590 17.435 13.759 473 HD2 LYS 66 HD2 LYS 66 27.228 19.083 14.714 474 HD3 LYS 66 HD1 LYS 66 28.345 17.747 14.989 475 HE2 LYS 66 HE2 LYS 66 28.331 17.219 12.588 476 HE3 LYS 66 HE1 LYS 66 27.204 18.545 12.299 477 HZ1 LYS 66 HZ1 LYS 66 28.980 19.958 13.464 478 HZ2 LYS 66 HZ2 LYS 66 29.255 19.481 11.857 479 HZ3 LYS 66 HZ3 LYS 66 30.030 18.669 13.132 480 HA PRO 67 HA PRO 67 26.230 16.993 20.969 481 HB2 PRO 67 HB2 PRO 67 25.915 19.659 21.484 482 HB3 PRO 67 HB1 PRO 67 27.502 18.875 21.351 483 HG2 PRO 67 HG2 PRO 67 26.024 20.507 19.346 484 HG3 PRO 67 HG1 PRO 67 27.752 20.485 19.734 485 HD2 PRO 67 HD2 PRO 67 26.698 19.213 17.565 486 HD3 PRO 67 HD1 PRO 67 28.167 18.658 18.396 487 H ALA 68 HN ALA 68 24.369 17.267 22.297 488 HA ALA 68 HA ALA 68 21.893 17.043 20.986 489 HB1 ALA 68 HB1 ALA 68 22.422 17.781 23.874 490 HB2 ALA 68 HB2 ALA 68 22.335 16.136 23.242 491 HB3 ALA 68 HB3 ALA 68 20.903 17.167 23.222 492 H LYS 69 HN LYS 69 23.477 19.782 22.544 493 HA LYS 69 HA LYS 69 21.213 21.531 21.940 494 HB2 LYS 69 HB2 LYS 69 22.362 21.745 24.117 495 HB3 LYS 69 HB1 LYS 69 23.859 22.150 23.277 496 HG2 LYS 69 HG2 LYS 69 22.782 24.124 22.277 497 HG3 LYS 69 HG1 LYS 69 21.267 23.713 23.082 498 HD2 LYS 69 HD2 LYS 69 22.330 23.973 25.276 499 HD3 LYS 69 HD1 LYS 69 23.877 24.318 24.503 500 HE2 LYS 69 HE2 LYS 69 22.771 26.410 25.173 501 HE3 LYS 69 HE1 LYS 69 22.882 26.308 23.416 502 HZ1 LYS 69 HZ1 LYS 69 20.650 25.880 23.207 503 HZ2 LYS 69 HZ2 LYS 69 20.652 26.950 24.528 504 HZ3 LYS 69 HZ3 LYS 69 20.493 25.278 24.785 505 H SER 70 HN SER 70 21.097 22.757 20.174 506 HA SER 70 HA SER 70 23.042 22.638 18.116 507 HB2 SER 70 HB2 SER 70 20.713 24.521 18.533 508 HB3 SER 70 HB1 SER 70 21.671 24.439 17.058 509 HG SER 70 HG SER 70 21.066 22.242 16.891 510 H ALA 71 HN ALA 71 24.460 24.222 17.339 511 HA ALA 71 HA ALA 71 25.420 26.072 19.405 512 HB1 ALA 71 HB1 ALA 71 27.378 26.305 17.801 513 HB2 ALA 71 HB2 ALA 71 26.639 25.015 16.852 514 HB3 ALA 71 HB3 ALA 71 27.156 24.705 18.510 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 27.721 -14.741 19.028 2 H2 GLY 1 HT2 GLY 1 26.091 -15.188 19.205 3 H3 GLY 1 HT3 GLY 1 26.531 -13.997 18.075 4 HA2 GLY 1 HA2 GLY 1 26.357 -16.780 17.714 5 HA3 GLY 1 HA1 GLY 1 26.737 -15.538 16.519 6 H GLY 2 HN GLY 2 29.072 -14.523 17.129 7 HA2 GLY 2 HA2 GLY 2 30.927 -16.685 16.663 8 HA3 GLY 2 HA1 GLY 2 31.315 -14.967 16.727 9 HA PRO 3 HA PRO 3 32.577 -17.185 20.706 10 HB2 PRO 3 HB2 PRO 3 35.282 -17.217 20.325 11 HB3 PRO 3 HB1 PRO 3 34.213 -18.528 19.792 12 HG2 PRO 3 HG2 PRO 3 35.446 -16.330 18.216 13 HG3 PRO 3 HG1 PRO 3 35.163 -18.023 17.774 14 HD2 PRO 3 HD2 PRO 3 33.563 -15.933 16.941 15 HD3 PRO 3 HD1 PRO 3 33.007 -17.617 17.074 16 H GLU 4 HN GLU 4 31.727 -14.798 20.965 17 HA GLU 4 HA GLU 4 32.001 -12.717 21.900 18 HB2 GLU 4 HB2 GLU 4 34.500 -14.037 22.987 19 HB3 GLU 4 HB1 GLU 4 33.806 -12.528 23.579 20 HG2 GLU 4 HG2 GLU 4 31.707 -13.713 24.131 21 HG3 GLU 4 HG1 GLU 4 32.416 -15.221 23.558 22 H THR 5 HN THR 5 32.851 -12.930 19.238 23 HA THR 5 HA THR 5 34.787 -10.745 19.164 24 HB THR 5 HB THR 5 36.135 -12.845 19.021 25 HG1 THR 5 HG1 THR 5 37.049 -11.176 17.990 26 HG21 THR 5 HG21 THR 5 35.892 -14.325 17.155 27 HG22 THR 5 HG22 THR 5 34.734 -13.249 16.372 28 HG23 THR 5 HG23 THR 5 34.279 -14.118 17.838 29 H LEU 6 HN LEU 6 34.718 -9.544 17.224 30 HA LEU 6 HA LEU 6 32.359 -10.128 15.537 31 HB2 LEU 6 HB2 LEU 6 33.615 -7.412 15.913 32 HB3 LEU 6 HB1 LEU 6 32.020 -7.804 15.274 33 HG LEU 6 HG LEU 6 31.918 -8.981 17.745 34 HD11 LEU 6 HD11 LEU 6 32.717 -7.070 19.266 35 HD12 LEU 6 HD12 LEU 6 33.658 -6.509 17.884 36 HD13 LEU 6 HD13 LEU 6 33.970 -8.100 18.577 37 HD21 LEU 6 HD21 LEU 6 30.394 -7.207 18.302 38 HD22 LEU 6 HD22 LEU 6 30.285 -7.439 16.557 39 HD23 LEU 6 HD23 LEU 6 31.207 -6.085 17.210 40 H CYS 7 HN CYS 7 32.673 -10.398 13.414 41 HA CYS 7 HA CYS 7 34.883 -9.223 11.996 42 HB2 CYS 7 HB2 CYS 7 35.941 -11.195 13.116 43 HB3 CYS 7 HB1 CYS 7 34.814 -12.237 12.249 44 H GLY 8 HN GLY 8 34.599 -9.271 9.776 45 HA2 GLY 8 HA2 GLY 8 33.448 -9.422 7.789 46 HA3 GLY 8 HA1 GLY 8 32.864 -10.978 8.367 47 H ALA 9 HN ALA 9 30.726 -11.024 8.140 48 HA ALA 9 HA ALA 9 29.035 -8.788 8.012 49 HB1 ALA 9 HB1 ALA 9 28.603 -11.728 8.408 50 HB2 ALA 9 HB2 ALA 9 28.085 -10.690 7.080 51 HB3 ALA 9 HB3 ALA 9 27.249 -10.619 8.631 52 H GLU 10 HN GLU 10 30.009 -10.835 10.729 53 HA GLU 10 HA GLU 10 28.131 -9.917 12.615 54 HB2 GLU 10 HB2 GLU 10 30.942 -10.975 12.916 55 HB3 GLU 10 HB1 GLU 10 29.887 -10.641 14.289 56 HG2 GLU 10 HG2 GLU 10 28.258 -12.245 13.500 57 HG3 GLU 10 HG1 GLU 10 29.147 -12.473 11.996 58 H LEU 11 HN LEU 11 31.349 -8.706 11.733 59 HA LEU 11 HA LEU 11 31.432 -6.654 13.690 60 HB2 LEU 11 HB2 LEU 11 33.462 -7.458 12.578 61 HB3 LEU 11 HB1 LEU 11 32.864 -6.851 11.034 62 HG LEU 11 HG LEU 11 32.827 -4.550 11.961 63 HD11 LEU 11 HD11 LEU 11 33.891 -5.975 14.408 64 HD12 LEU 11 HD12 LEU 11 32.474 -4.933 14.294 65 HD13 LEU 11 HD13 LEU 11 34.091 -4.241 14.160 66 HD21 LEU 11 HD21 LEU 11 34.848 -5.491 10.812 67 HD22 LEU 11 HD22 LEU 11 35.502 -5.902 12.399 68 HD23 LEU 11 HD23 LEU 11 35.221 -4.214 11.969 69 H VAL 12 HN VAL 12 30.393 -6.718 10.314 70 HA VAL 12 HA VAL 12 29.940 -3.988 9.978 71 HB VAL 12 HB VAL 12 28.731 -6.445 8.721 72 HG11 VAL 12 HG11 VAL 12 27.734 -4.789 7.046 73 HG12 VAL 12 HG12 VAL 12 28.051 -3.521 8.229 74 HG13 VAL 12 HG13 VAL 12 26.930 -4.826 8.617 75 HG21 VAL 12 HG21 VAL 12 29.962 -5.550 6.754 76 HG22 VAL 12 HG22 VAL 12 31.033 -5.844 8.123 77 HG23 VAL 12 HG23 VAL 12 30.526 -4.199 7.740 78 H ASP 13 HN ASP 13 27.785 -6.538 11.180 79 HA ASP 13 HA ASP 13 25.477 -4.953 11.472 80 HB2 ASP 13 HB2 ASP 13 25.528 -7.446 11.567 81 HB3 ASP 13 HB1 ASP 13 26.299 -7.334 13.148 82 H ALA 14 HN ALA 14 28.106 -5.724 13.742 83 HA ALA 14 HA ALA 14 27.046 -4.354 15.971 84 HB1 ALA 14 HB1 ALA 14 28.897 -5.966 16.125 85 HB2 ALA 14 HB2 ALA 14 29.323 -4.420 16.859 86 HB3 ALA 14 HB3 ALA 14 29.946 -4.842 15.261 87 H LEU 15 HN LEU 15 29.176 -3.298 13.338 88 HA LEU 15 HA LEU 15 29.771 -0.733 14.331 89 HB2 LEU 15 HB2 LEU 15 29.613 -1.852 11.531 90 HB3 LEU 15 HB1 LEU 15 30.110 -0.191 11.856 91 HG LEU 15 HG LEU 15 31.417 -2.539 13.239 92 HD11 LEU 15 HD11 LEU 15 32.348 -1.167 10.697 93 HD12 LEU 15 HD12 LEU 15 31.603 -2.765 10.743 94 HD13 LEU 15 HD13 LEU 15 33.154 -2.492 11.536 95 HD21 LEU 15 HD21 LEU 15 32.138 0.365 12.719 96 HD22 LEU 15 HD22 LEU 15 33.287 -0.812 13.355 97 HD23 LEU 15 HD23 LEU 15 31.845 -0.401 14.281 98 H GLN 16 HN GLN 16 27.112 -1.879 12.272 99 HA GLN 16 HA GLN 16 25.927 0.666 11.853 100 HB2 GLN 16 HB2 GLN 16 24.807 -2.137 11.755 101 HB3 GLN 16 HB1 GLN 16 23.874 -0.705 11.316 102 HG2 GLN 16 HG2 GLN 16 25.421 -0.149 9.553 103 HG3 GLN 16 HG1 GLN 16 26.544 -1.406 10.072 104 HE21 GLN 16 HE21 GLN 16 25.189 -1.161 7.416 105 HE22 GLN 16 HE22 GLN 16 24.300 -2.594 7.224 106 H PHE 17 HN PHE 17 25.455 -1.853 14.299 107 HA PHE 17 HA PHE 17 23.235 -0.716 15.606 108 HB2 PHE 17 HB2 PHE 17 23.821 -2.963 16.128 109 HB3 PHE 17 HB1 PHE 17 25.462 -2.509 16.587 110 HD1 PHE 17 HD1 PHE 17 21.888 -2.341 17.573 111 HD2 PHE 17 HD2 PHE 17 25.955 -1.549 18.740 112 HE1 PHE 17 HE1 PHE 17 21.144 -1.960 19.909 113 HE2 PHE 17 HE2 PHE 17 25.205 -1.181 21.077 114 HZ PHE 17 HZ PHE 17 22.803 -1.384 21.661 115 H VAL 18 HN VAL 18 26.714 -0.425 16.320 116 HA VAL 18 HA VAL 18 26.406 1.356 18.494 117 HB VAL 18 HB VAL 18 28.746 0.861 16.643 118 HG11 VAL 18 HG11 VAL 18 29.028 3.050 17.630 119 HG12 VAL 18 HG12 VAL 18 30.059 1.925 18.515 120 HG13 VAL 18 HG13 VAL 18 28.526 2.447 19.211 121 HG21 VAL 18 HG21 VAL 18 28.123 -0.074 19.463 122 HG22 VAL 18 HG22 VAL 18 29.579 -0.457 18.544 123 HG23 VAL 18 HG23 VAL 18 28.015 -1.069 18.010 124 H CYS 19 HN CYS 19 27.045 1.905 15.047 125 HA CYS 19 HA CYS 19 26.432 4.768 15.473 126 HB2 CYS 19 HB2 CYS 19 28.241 3.509 13.394 127 HB3 CYS 19 HB1 CYS 19 27.875 5.229 13.529 128 H GLY 20 HN GLY 20 24.200 3.567 15.207 129 HA2 GLY 20 HA2 GLY 20 23.353 2.725 12.650 130 HA3 GLY 20 HA1 GLY 20 22.301 3.307 13.934 131 H ASP 21 HN ASP 21 23.323 5.908 14.215 132 HA ASP 21 HA ASP 21 22.278 7.112 11.747 133 HB2 ASP 21 HB2 ASP 21 22.662 8.188 14.545 134 HB3 ASP 21 HB1 ASP 21 22.141 9.181 13.185 135 H ARG 22 HN ARG 22 25.061 7.242 13.932 136 HA ARG 22 HA ARG 22 26.426 9.342 12.623 137 HB2 ARG 22 HB2 ARG 22 27.403 7.081 14.376 138 HB3 ARG 22 HB1 ARG 22 28.456 8.363 13.786 139 HG2 ARG 22 HG2 ARG 22 26.994 10.027 14.847 140 HG3 ARG 22 HG1 ARG 22 25.962 8.729 15.454 141 HD2 ARG 22 HD2 ARG 22 27.950 7.773 16.634 142 HD3 ARG 22 HD1 ARG 22 28.886 9.170 16.110 143 HE ARG 22 HE ARG 22 26.549 10.040 17.405 144 HH11 ARG 22 HH11 ARG 22 29.579 8.452 18.035 145 HH12 ARG 22 HH12 ARG 22 29.692 9.020 19.666 146 HH21 ARG 22 HH21 ARG 22 26.717 10.792 19.578 147 HH22 ARG 22 HH22 ARG 22 28.087 10.331 20.534 148 H GLY 23 HN GLY 23 26.465 5.833 12.172 149 HA2 GLY 23 HA2 GLY 23 27.066 4.586 10.329 150 HA3 GLY 23 HA1 GLY 23 27.295 6.090 9.444 151 H PHE 24 HN PHE 24 29.116 4.498 8.707 152 HA PHE 24 HA PHE 24 31.559 5.476 9.904 153 HB2 PHE 24 HB2 PHE 24 32.517 3.229 10.279 154 HB3 PHE 24 HB1 PHE 24 31.127 3.528 11.324 155 HD1 PHE 24 HD1 PHE 24 32.438 1.593 8.506 156 HD2 PHE 24 HD2 PHE 24 28.940 2.485 10.831 157 HE1 PHE 24 HE1 PHE 24 31.297 -0.388 7.558 158 HE2 PHE 24 HE2 PHE 24 27.802 0.499 9.888 159 HZ PHE 24 HZ PHE 24 28.981 -0.938 8.251 160 H TYR 25 HN TYR 25 33.487 4.812 8.663 161 HA TYR 25 HA TYR 25 32.900 3.853 5.948 162 HB2 TYR 25 HB2 TYR 25 33.927 5.737 4.868 163 HB3 TYR 25 HB1 TYR 25 32.709 6.372 5.975 164 HD1 TYR 25 HD1 TYR 25 36.318 5.949 5.368 165 HD2 TYR 25 HD2 TYR 25 33.342 7.550 8.018 166 HE1 TYR 25 HE1 TYR 25 38.064 7.259 6.528 167 HE2 TYR 25 HE2 TYR 25 35.091 8.868 9.181 168 HH TYR 25 HH TYR 25 38.110 8.301 9.198 169 H PHE 26 HN PHE 26 34.983 3.579 4.688 170 HA PHE 26 HA PHE 26 37.082 2.599 6.522 171 HB2 PHE 26 HB2 PHE 26 36.409 1.767 3.689 172 HB3 PHE 26 HB1 PHE 26 37.741 1.115 4.644 173 HD1 PHE 26 HD1 PHE 26 34.149 1.065 4.054 174 HD2 PHE 26 HD2 PHE 26 37.261 -0.150 6.753 175 HE1 PHE 26 HE1 PHE 26 32.594 -0.547 5.121 176 HE2 PHE 26 HE2 PHE 26 35.707 -1.754 7.820 177 HZ PHE 26 HZ PHE 26 33.375 -1.960 7.004 178 H ASN 27 HN ASN 27 39.097 3.397 6.399 179 HA ASN 27 HA ASN 27 39.630 5.797 5.018 180 HB2 ASN 27 HB2 ASN 27 41.444 3.780 6.345 181 HB3 ASN 27 HB1 ASN 27 42.038 5.285 5.645 182 HD21 ASN 27 HD21 ASN 27 42.192 4.703 8.479 183 HD22 ASN 27 HD22 ASN 27 41.195 5.817 9.285 184 H LYS 28 HN LYS 28 40.388 2.426 4.277 185 HA LYS 28 HA LYS 28 41.155 3.281 1.554 186 HB2 LYS 28 HB2 LYS 28 42.438 1.093 3.190 187 HB3 LYS 28 HB1 LYS 28 42.814 1.466 1.509 188 HG2 LYS 28 HG2 LYS 28 43.425 3.791 2.211 189 HG3 LYS 28 HG1 LYS 28 43.185 3.307 3.889 190 HD2 LYS 28 HD2 LYS 28 45.100 1.908 2.005 191 HD3 LYS 28 HD1 LYS 28 45.585 3.192 3.112 192 HE2 LYS 28 HE2 LYS 28 44.274 0.582 3.936 193 HE3 LYS 28 HE1 LYS 28 45.988 0.954 4.091 194 HZ1 LYS 28 HZ1 LYS 28 45.043 3.043 5.326 195 HZ2 LYS 28 HZ2 LYS 28 45.255 1.567 6.139 196 HZ3 LYS 28 HZ3 LYS 28 43.713 2.023 5.591 197 HA PRO 29 HA PRO 29 37.525 0.334 1.506 198 HB2 PRO 29 HB2 PRO 29 37.108 1.929 -0.983 199 HB3 PRO 29 HB1 PRO 29 35.937 1.453 0.262 200 HG2 PRO 29 HG2 PRO 29 36.823 3.945 0.115 201 HG3 PRO 29 HG1 PRO 29 36.548 3.164 1.682 202 HD2 PRO 29 HD2 PRO 29 39.138 3.704 0.273 203 HD3 PRO 29 HD1 PRO 29 38.762 3.768 2.008 204 H THR 30 HN THR 30 39.943 1.294 -0.854 205 HA THR 30 HA THR 30 39.775 -1.401 -2.064 206 HB THR 30 HB THR 30 40.450 -0.413 -4.205 207 HG1 THR 30 HG1 THR 30 41.550 1.376 -3.679 208 HG21 THR 30 HG21 THR 30 38.030 0.812 -2.864 209 HG22 THR 30 HG22 THR 30 38.082 -0.624 -3.886 210 HG23 THR 30 HG23 THR 30 38.357 0.970 -4.589 211 H GLY 31 HN GLY 31 41.837 -2.155 -3.010 212 HA2 GLY 31 HA2 GLY 31 44.148 -1.094 -1.503 213 HA3 GLY 31 HA1 GLY 31 43.920 -2.802 -1.874 214 H TYR 32 HN TYR 32 42.919 -0.758 -4.409 215 HA TYR 32 HA TYR 32 45.112 -1.670 -6.044 216 HB2 TYR 32 HB2 TYR 32 42.664 -0.006 -6.657 217 HB3 TYR 32 HB1 TYR 32 43.849 -0.497 -7.866 218 HD1 TYR 32 HD1 TYR 32 41.188 -1.636 -5.597 219 HD2 TYR 32 HD2 TYR 32 44.083 -2.840 -8.532 220 HE1 TYR 32 HE1 TYR 32 40.062 -3.837 -5.805 221 HE2 TYR 32 HE2 TYR 32 42.958 -5.041 -8.739 222 HH TYR 32 HH TYR 32 40.679 -5.984 -8.334 223 H GLY 33 HN GLY 33 46.992 -0.584 -5.887 224 HA2 GLY 33 HA2 GLY 33 48.399 1.231 -6.389 225 HA3 GLY 33 HA1 GLY 33 46.997 2.297 -6.368 226 H SER 34 HN SER 34 46.508 0.586 -3.672 227 HA SER 34 HA SER 34 48.168 2.367 -2.002 228 HB2 SER 34 HB2 SER 34 46.334 2.385 -0.388 229 HB3 SER 34 HB1 SER 34 45.765 2.952 -1.955 230 HG SER 34 HG SER 34 44.451 1.321 -2.004 231 H SER 35 HN SER 35 47.497 -0.835 -2.876 232 HA SER 35 HA SER 35 48.947 -1.813 -0.525 233 HB2 SER 35 HB2 SER 35 46.665 -2.316 0.003 234 HB3 SER 35 HB1 SER 35 46.354 -2.897 -1.632 235 HG SER 35 HG SER 35 46.783 -4.546 0.016 236 H SER 36 HN SER 36 50.687 -2.855 -1.203 237 HA SER 36 HA SER 36 50.544 -4.763 -3.379 238 HB2 SER 36 HB2 SER 36 50.948 -2.688 -4.616 239 HB3 SER 36 HB1 SER 36 52.338 -2.333 -3.595 240 HG SER 36 HG SER 36 53.432 -3.971 -4.499 241 H ARG 37 HN ARG 37 52.243 -6.249 -3.356 242 HA ARG 37 HA ARG 37 53.861 -7.540 -2.369 243 HB2 ARG 37 HB2 ARG 37 54.906 -4.772 -1.775 244 HB3 ARG 37 HB1 ARG 37 55.804 -6.235 -1.380 245 HG2 ARG 37 HG2 ARG 37 55.771 -6.915 -3.727 246 HG3 ARG 37 HG1 ARG 37 54.819 -5.490 -4.143 247 HD2 ARG 37 HD2 ARG 37 56.654 -4.036 -3.335 248 HD3 ARG 37 HD1 ARG 37 57.605 -5.468 -2.947 249 HE ARG 37 HE ARG 37 57.144 -4.363 -5.584 250 HH11 ARG 37 HH11 ARG 37 57.969 -7.190 -3.709 251 HH12 ARG 37 HH12 ARG 37 58.804 -7.957 -5.017 252 HH21 ARG 37 HH21 ARG 37 58.240 -5.397 -7.278 253 HH22 ARG 37 HH22 ARG 37 58.955 -6.954 -7.021 254 H ARG 38 HN ARG 38 54.469 -5.142 0.109 255 HA ARG 38 HA ARG 38 52.869 -6.681 2.029 256 HB2 ARG 38 HB2 ARG 38 55.780 -5.900 2.281 257 HB3 ARG 38 HB1 ARG 38 54.791 -6.450 3.634 258 HG2 ARG 38 HG2 ARG 38 54.330 -8.559 2.445 259 HG3 ARG 38 HG1 ARG 38 55.321 -8.016 1.090 260 HD2 ARG 38 HD2 ARG 38 57.277 -7.856 2.604 261 HD3 ARG 38 HD1 ARG 38 56.282 -8.436 3.936 262 HE ARG 38 HE ARG 38 57.387 -10.030 1.791 263 HH11 ARG 38 HH11 ARG 38 54.879 -9.735 4.198 264 HH12 ARG 38 HH12 ARG 38 54.603 -11.440 4.290 265 HH21 ARG 38 HH21 ARG 38 56.999 -12.262 1.931 266 HH22 ARG 38 HH22 ARG 38 55.791 -12.862 3.017 267 H ALA 39 HN ALA 39 52.372 -4.143 0.720 268 HA ALA 39 HA ALA 39 53.037 -1.999 2.454 269 HB1 ALA 39 HB1 ALA 39 51.869 -0.658 1.003 270 HB2 ALA 39 HB2 ALA 39 50.573 -1.835 0.789 271 HB3 ALA 39 HB3 ALA 39 52.109 -2.052 -0.048 272 HA PRO 40 HA PRO 40 50.090 -2.191 5.699 273 HB2 PRO 40 HB2 PRO 40 49.116 0.543 5.046 274 HB3 PRO 40 HB1 PRO 40 49.874 -0.061 6.531 275 HG2 PRO 40 HG2 PRO 40 51.176 1.532 4.842 276 HG3 PRO 40 HG1 PRO 40 51.997 0.228 5.721 277 HD2 PRO 40 HD2 PRO 40 51.120 0.303 2.852 278 HD3 PRO 40 HD1 PRO 40 52.593 -0.386 3.570 279 H GLN 41 HN GLN 41 48.804 -3.759 4.449 280 HA GLN 41 HA GLN 41 46.410 -2.719 3.135 281 HB2 GLN 41 HB2 GLN 41 45.994 -5.019 2.469 282 HB3 GLN 41 HB1 GLN 41 47.671 -4.603 2.110 283 HG2 GLN 41 HG2 GLN 41 48.360 -5.652 4.259 284 HG3 GLN 41 HG1 GLN 41 46.687 -6.136 4.532 285 HE21 GLN 41 HE21 GLN 41 49.536 -7.411 3.505 286 HE22 GLN 41 HE22 GLN 41 48.962 -8.568 2.404 287 H THR 42 HN THR 42 47.098 -2.817 6.182 288 HA THR 42 HA THR 42 45.065 -4.504 7.304 289 HB THR 42 HB THR 42 45.660 -3.427 9.420 290 HG1 THR 42 HG1 THR 42 46.722 -1.590 9.468 291 HG21 THR 42 HG21 THR 42 48.141 -3.896 9.353 292 HG22 THR 42 HG22 THR 42 47.987 -4.116 7.610 293 HG23 THR 42 HG23 THR 42 47.134 -5.195 8.715 294 H GLY 43 HN GLY 43 43.332 -3.568 8.726 295 HA2 GLY 43 HA2 GLY 43 42.357 -0.927 8.067 296 HA3 GLY 43 HA1 GLY 43 41.388 -2.244 7.413 297 H ILE 44 HN ILE 44 39.965 -0.828 9.000 298 HA ILE 44 HA ILE 44 40.188 -1.260 11.793 299 HB ILE 44 HB ILE 44 37.944 -0.379 11.940 300 HG12 ILE 44 HG12 ILE 44 37.792 -0.829 8.937 301 HG13 ILE 44 HG11 ILE 44 36.932 -1.772 10.149 302 HG21 ILE 44 HG21 ILE 44 39.759 1.201 11.323 303 HG22 ILE 44 HG22 ILE 44 38.210 1.695 10.644 304 HG23 ILE 44 HG23 ILE 44 39.413 0.915 9.619 305 HD11 ILE 44 HD11 ILE 44 35.945 0.452 10.954 306 HD12 ILE 44 HD12 ILE 44 35.356 -0.176 9.416 307 HD13 ILE 44 HD13 ILE 44 36.542 1.128 9.439 308 H VAL 45 HN VAL 45 38.716 -3.075 9.185 309 HA VAL 45 HA VAL 45 37.148 -4.814 10.758 310 HB VAL 45 HB VAL 45 38.339 -5.118 8.006 311 HG11 VAL 45 HG11 VAL 45 36.666 -7.015 7.818 312 HG12 VAL 45 HG12 VAL 45 36.496 -6.943 9.572 313 HG13 VAL 45 HG13 VAL 45 38.056 -7.356 8.851 314 HG21 VAL 45 HG21 VAL 45 35.583 -4.462 9.092 315 HG22 VAL 45 HG22 VAL 45 35.891 -4.858 7.400 316 HG23 VAL 45 HG23 VAL 45 36.625 -3.425 8.118 317 H ASP 46 HN ASP 46 40.426 -5.095 9.479 318 HA ASP 46 HA ASP 46 40.932 -7.699 10.424 319 HB2 ASP 46 HB2 ASP 46 42.764 -5.385 9.784 320 HB3 ASP 46 HB1 ASP 46 43.356 -6.981 10.245 321 H GLU 47 HN GLU 47 41.365 -4.505 11.917 322 HA GLU 47 HA GLU 47 42.822 -5.362 14.166 323 HB2 GLU 47 HB2 GLU 47 42.562 -2.997 13.537 324 HB3 GLU 47 HB1 GLU 47 40.843 -3.081 13.918 325 HG2 GLU 47 HG2 GLU 47 42.067 -2.096 15.796 326 HG3 GLU 47 HG1 GLU 47 41.412 -3.662 16.267 327 H CYS 48 HN CYS 48 39.310 -4.808 13.825 328 HA CYS 48 HA CYS 48 38.681 -5.808 16.437 329 HB2 CYS 48 HB2 CYS 48 36.964 -5.357 13.989 330 HB3 CYS 48 HB1 CYS 48 36.355 -5.842 15.565 331 H CYS 49 HN CYS 49 38.646 -7.217 13.188 332 HA CYS 49 HA CYS 49 37.418 -9.650 13.826 333 HB2 CYS 49 HB2 CYS 49 37.741 -8.853 11.514 334 HB3 CYS 49 HB1 CYS 49 39.478 -9.102 11.675 335 H PHE 50 HN PHE 50 40.875 -8.794 13.657 336 HA PHE 50 HA PHE 50 41.629 -11.393 14.666 337 HB2 PHE 50 HB2 PHE 50 43.159 -8.943 13.815 338 HB3 PHE 50 HB1 PHE 50 43.971 -10.303 14.599 339 HD1 PHE 50 HD1 PHE 50 41.855 -9.293 11.704 340 HD2 PHE 50 HD2 PHE 50 44.414 -12.311 13.377 341 HE1 PHE 50 HE1 PHE 50 41.879 -10.462 9.522 342 HE2 PHE 50 HE2 PHE 50 44.442 -13.488 11.195 343 HZ PHE 50 HZ PHE 50 43.180 -12.568 9.266 344 H ARG 51 HN ARG 51 42.491 -8.085 15.699 345 HA ARG 51 HA ARG 51 42.916 -8.949 18.420 346 HB2 ARG 51 HB2 ARG 51 43.049 -6.244 17.085 347 HB3 ARG 51 HB1 ARG 51 43.358 -6.498 18.802 348 HG2 ARG 51 HG2 ARG 51 45.152 -8.091 18.253 349 HG3 ARG 51 HG1 ARG 51 44.842 -7.852 16.533 350 HD2 ARG 51 HD2 ARG 51 45.391 -5.458 16.763 351 HD3 ARG 51 HD1 ARG 51 45.693 -5.691 18.483 352 HE ARG 51 HE ARG 51 47.447 -6.439 16.304 353 HH11 ARG 51 HH11 ARG 51 46.515 -7.000 19.622 354 HH12 ARG 51 HH12 ARG 51 48.057 -7.644 20.070 355 HH21 ARG 51 HH21 ARG 51 49.457 -7.295 16.923 356 HH22 ARG 51 HH22 ARG 51 49.707 -7.813 18.557 357 H SER 52 HN SER 52 41.853 -7.831 20.255 358 HA SER 52 HA SER 52 38.970 -7.658 19.776 359 HB2 SER 52 HB2 SER 52 39.723 -9.068 21.624 360 HB3 SER 52 HB1 SER 52 40.583 -7.707 22.339 361 HG SER 52 HG SER 52 38.712 -6.803 22.905 362 H CYS 53 HN CYS 53 38.748 -5.629 18.804 363 HA CYS 53 HA CYS 53 39.873 -3.256 19.996 364 HB2 CYS 53 HB2 CYS 53 38.645 -2.069 18.262 365 HB3 CYS 53 HB1 CYS 53 39.442 -3.469 17.554 366 H ASP 54 HN ASP 54 38.742 -1.596 21.049 367 HA ASP 54 HA ASP 54 36.401 -2.527 22.543 368 HB2 ASP 54 HB2 ASP 54 38.305 -0.215 22.911 369 HB3 ASP 54 HB1 ASP 54 36.839 -0.404 23.871 370 H LEU 55 HN LEU 55 34.526 -1.221 22.790 371 HA LEU 55 HA LEU 55 33.543 -0.128 20.380 372 HB2 LEU 55 HB2 LEU 55 32.534 0.068 23.225 373 HB3 LEU 55 HB1 LEU 55 31.644 0.673 21.827 374 HG LEU 55 HG LEU 55 32.613 -2.188 22.074 375 HD11 LEU 55 HD11 LEU 55 29.973 -0.906 22.813 376 HD12 LEU 55 HD12 LEU 55 31.007 -1.915 23.822 377 HD13 LEU 55 HD13 LEU 55 30.124 -2.631 22.476 378 HD21 LEU 55 HD21 LEU 55 30.762 -2.448 20.303 379 HD22 LEU 55 HD22 LEU 55 32.232 -1.625 19.785 380 HD23 LEU 55 HD23 LEU 55 30.792 -0.691 20.182 381 H ARG 56 HN ARG 56 34.941 1.341 23.257 382 HA ARG 56 HA ARG 56 34.296 4.002 22.752 383 HB2 ARG 56 HB2 ARG 56 35.296 3.273 24.866 384 HB3 ARG 56 HB1 ARG 56 36.796 2.867 24.036 385 HG2 ARG 56 HG2 ARG 56 37.070 5.042 25.075 386 HG3 ARG 56 HG1 ARG 56 36.978 5.283 23.333 387 HD2 ARG 56 HD2 ARG 56 34.578 5.842 23.536 388 HD3 ARG 56 HD1 ARG 56 34.675 5.610 25.280 389 HE ARG 56 HE ARG 56 35.717 7.676 25.439 390 HH11 ARG 56 HH11 ARG 56 35.680 6.558 22.129 391 HH12 ARG 56 HH12 ARG 56 36.241 8.066 21.490 392 HH21 ARG 56 HH21 ARG 56 36.456 9.635 24.570 393 HH22 ARG 56 HH22 ARG 56 36.680 9.795 22.858 394 H ARG 57 HN ARG 57 37.004 2.039 21.567 395 HA ARG 57 HA ARG 57 38.097 4.266 20.056 396 HB2 ARG 57 HB2 ARG 57 39.269 2.115 21.202 397 HB3 ARG 57 HB1 ARG 57 39.040 1.498 19.564 398 HG2 ARG 57 HG2 ARG 57 40.286 3.276 18.606 399 HG3 ARG 57 HG1 ARG 57 40.238 4.210 20.101 400 HD2 ARG 57 HD2 ARG 57 42.426 3.247 19.972 401 HD3 ARG 57 HD1 ARG 57 41.539 2.339 21.191 402 HE ARG 57 HE ARG 57 41.212 1.058 18.703 403 HH11 ARG 57 HH11 ARG 57 43.655 1.768 21.087 404 HH12 ARG 57 HH12 ARG 57 44.587 0.355 20.728 405 HH21 ARG 57 HH21 ARG 57 42.452 -0.788 18.251 406 HH22 ARG 57 HH22 ARG 57 43.913 -1.084 19.133 407 H LEU 58 HN LEU 58 35.825 1.728 19.611 408 HA LEU 58 HA LEU 58 36.102 1.300 16.828 409 HB2 LEU 58 HB2 LEU 58 34.840 -0.164 18.456 410 HB3 LEU 58 HB1 LEU 58 33.556 1.046 18.434 411 HG LEU 58 HG LEU 58 33.555 0.809 15.892 412 HD11 LEU 58 HD11 LEU 58 34.445 -1.460 15.139 413 HD12 LEU 58 HD12 LEU 58 35.317 -1.524 16.669 414 HD13 LEU 58 HD13 LEU 58 35.666 -0.248 15.511 415 HD21 LEU 58 HD21 LEU 58 32.775 -1.458 17.737 416 HD22 LEU 58 HD22 LEU 58 32.357 -1.458 16.022 417 HD23 LEU 58 HD23 LEU 58 31.748 -0.185 17.078 418 H ASP 59 HN ASP 59 34.309 3.653 18.741 419 HA ASP 59 HA ASP 59 32.660 4.656 16.684 420 HB2 ASP 59 HB2 ASP 59 32.349 6.593 18.132 421 HB3 ASP 59 HB1 ASP 59 32.305 5.113 19.084 422 H MET 60 HN MET 60 36.028 4.851 17.052 423 HA MET 60 HA MET 60 36.546 7.415 16.008 424 HB2 MET 60 HB2 MET 60 38.168 4.869 16.024 425 HB3 MET 60 HB1 MET 60 38.787 6.409 15.433 426 HG2 MET 60 HG2 MET 60 38.313 7.437 17.634 427 HG3 MET 60 HG1 MET 60 37.720 5.885 18.223 428 HE1 MET 60 HE1 MET 60 41.046 6.708 15.915 429 HE2 MET 60 HE2 MET 60 41.924 7.295 17.326 430 HE3 MET 60 HE3 MET 60 40.371 8.011 16.905 431 H TYR 61 HN TYR 61 35.963 4.264 14.529 432 HA TYR 61 HA TYR 61 36.584 5.160 11.851 433 HB2 TYR 61 HB2 TYR 61 34.939 2.731 12.504 434 HB3 TYR 61 HB1 TYR 61 36.064 2.988 11.173 435 HD1 TYR 61 HD1 TYR 61 35.722 1.214 14.107 436 HD2 TYR 61 HD2 TYR 61 38.523 3.825 12.146 437 HE1 TYR 61 HE1 TYR 61 37.574 0.246 15.441 438 HE2 TYR 61 HE2 TYR 61 40.369 2.851 13.484 439 HH TYR 61 HH TYR 61 40.553 0.278 14.757 440 H CYS 62 HN CYS 62 33.951 5.620 13.924 441 HA CYS 62 HA CYS 62 31.891 5.606 11.909 442 HB2 CYS 62 HB2 CYS 62 31.965 6.508 14.781 443 HB3 CYS 62 HB1 CYS 62 30.539 6.677 13.764 444 H ALA 63 HN ALA 63 30.859 7.431 11.037 445 HA ALA 63 HA ALA 63 32.542 9.636 10.512 446 HB1 ALA 63 HB1 ALA 63 29.606 9.813 9.988 447 HB2 ALA 63 HB2 ALA 63 30.521 8.563 9.146 448 HB3 ALA 63 HB3 ALA 63 30.964 10.258 8.954 449 HA PRO 64 HA PRO 64 31.350 12.341 13.796 450 HB2 PRO 64 HB2 PRO 64 31.685 14.777 12.627 451 HB3 PRO 64 HB1 PRO 64 33.044 13.725 13.067 452 HG2 PRO 64 HG2 PRO 64 31.803 14.207 10.409 453 HG3 PRO 64 HG1 PRO 64 33.503 13.953 10.837 454 HD2 PRO 64 HD2 PRO 64 31.864 11.990 9.768 455 HD3 PRO 64 HD1 PRO 64 33.315 11.652 10.734 456 H LEU 65 HN LEU 65 29.711 13.795 14.548 457 HA LEU 65 HA LEU 65 27.169 13.442 13.279 458 HB2 LEU 65 HB2 LEU 65 28.051 15.113 15.640 459 HB3 LEU 65 HB1 LEU 65 26.374 14.961 15.117 460 HG LEU 65 HG LEU 65 28.113 12.570 15.765 461 HD11 LEU 65 HD11 LEU 65 27.936 13.810 17.815 462 HD12 LEU 65 HD12 LEU 65 26.731 12.524 17.895 463 HD13 LEU 65 HD13 LEU 65 26.234 14.173 17.516 464 HD21 LEU 65 HD21 LEU 65 25.754 11.583 16.072 465 HD22 LEU 65 HD22 LEU 65 26.253 11.934 14.418 466 HD23 LEU 65 HD23 LEU 65 25.164 13.034 15.263 467 H LYS 66 HN LYS 66 25.871 14.941 12.254 468 HA LYS 66 HA LYS 66 27.243 16.974 10.805 469 HB2 LYS 66 HB2 LYS 66 24.302 16.290 10.988 470 HB3 LYS 66 HB1 LYS 66 24.978 17.469 9.865 471 HG2 LYS 66 HG2 LYS 66 25.903 14.593 10.002 472 HG3 LYS 66 HG1 LYS 66 24.651 15.152 8.893 473 HD2 LYS 66 HD2 LYS 66 26.294 16.842 8.006 474 HD3 LYS 66 HD1 LYS 66 27.535 16.084 9.003 475 HE2 LYS 66 HE2 LYS 66 27.143 13.933 7.863 476 HE3 LYS 66 HE1 LYS 66 25.914 14.698 6.854 477 HZ1 LYS 66 HZ1 LYS 66 28.083 14.576 5.755 478 HZ2 LYS 66 HZ2 LYS 66 28.763 15.528 6.989 479 HZ3 LYS 66 HZ3 LYS 66 27.572 16.178 5.967 480 HA PRO 67 HA PRO 67 26.570 20.410 13.490 481 HB2 PRO 67 HB2 PRO 67 26.350 22.457 11.689 482 HB3 PRO 67 HB1 PRO 67 27.888 21.656 12.069 483 HG2 PRO 67 HG2 PRO 67 26.074 21.270 9.744 484 HG3 PRO 67 HG1 PRO 67 27.843 21.298 9.804 485 HD2 PRO 67 HD2 PRO 67 26.395 18.988 9.661 486 HD3 PRO 67 HD1 PRO 67 27.993 19.086 10.431 487 H ALA 68 HN ALA 68 25.009 22.002 14.185 488 HA ALA 68 HA ALA 68 22.331 21.177 13.960 489 HB1 ALA 68 HB1 ALA 68 23.568 23.750 14.943 490 HB2 ALA 68 HB2 ALA 68 22.980 22.396 15.908 491 HB3 ALA 68 HB3 ALA 68 21.838 23.421 15.036 492 H LYS 69 HN LYS 69 24.147 23.716 12.317 493 HA LYS 69 HA LYS 69 22.010 25.001 11.028 494 HB2 LYS 69 HB2 LYS 69 24.297 25.916 11.092 495 HB3 LYS 69 HB1 LYS 69 24.843 24.615 10.034 496 HG2 LYS 69 HG2 LYS 69 23.307 25.374 8.272 497 HG3 LYS 69 HG1 LYS 69 22.715 26.656 9.330 498 HD2 LYS 69 HD2 LYS 69 24.964 27.644 9.420 499 HD3 LYS 69 HD1 LYS 69 25.583 26.354 8.388 500 HE2 LYS 69 HE2 LYS 69 24.057 27.053 6.585 501 HE3 LYS 69 HE1 LYS 69 23.421 28.336 7.613 502 HZ1 LYS 69 HZ1 LYS 69 25.220 28.982 5.992 503 HZ2 LYS 69 HZ2 LYS 69 26.301 28.104 6.968 504 HZ3 LYS 69 HZ3 LYS 69 25.470 29.444 7.605 505 H SER 70 HN SER 70 24.021 22.264 9.974 506 HA SER 70 HA SER 70 22.846 21.931 7.433 507 HB2 SER 70 HB2 SER 70 24.957 20.859 8.041 508 HB3 SER 70 HB1 SER 70 24.130 19.873 9.244 509 HG SER 70 HG SER 70 24.472 18.854 7.159 510 H ALA 71 HN ALA 71 22.054 20.537 10.595 511 HA ALA 71 HA ALA 71 20.214 19.375 11.340 512 HB1 ALA 71 HB1 ALA 71 18.724 20.768 9.113 513 HB2 ALA 71 HB2 ALA 71 19.200 21.589 10.599 514 HB3 ALA 71 HB3 ALA 71 18.090 20.220 10.665 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 33.369 -16.305 27.163 2 H2 GLY 1 HT2 GLY 1 32.054 -15.944 28.177 3 H3 GLY 1 HT3 GLY 1 32.155 -15.245 26.632 4 HA2 GLY 1 HA2 GLY 1 32.223 -17.786 25.925 5 HA3 GLY 1 HA1 GLY 1 31.293 -17.915 27.418 6 H GLY 2 HN GLY 2 31.474 -16.044 24.394 7 HA2 GLY 2 HA2 GLY 2 28.783 -16.410 23.686 8 HA3 GLY 2 HA1 GLY 2 28.911 -14.879 24.546 9 HA PRO 3 HA PRO 3 30.043 -14.241 20.062 10 HB2 PRO 3 HB2 PRO 3 28.046 -12.495 19.436 11 HB3 PRO 3 HB1 PRO 3 27.856 -14.254 19.326 12 HG2 PRO 3 HG2 PRO 3 26.905 -12.376 21.423 13 HG3 PRO 3 HG1 PRO 3 26.123 -13.817 20.754 14 HD2 PRO 3 HD2 PRO 3 27.451 -13.761 23.182 15 HD3 PRO 3 HD1 PRO 3 27.190 -15.232 22.220 16 H GLU 4 HN GLU 4 31.633 -13.206 21.818 17 HA GLU 4 HA GLU 4 31.333 -10.300 21.931 18 HB2 GLU 4 HB2 GLU 4 33.452 -12.101 23.122 19 HB3 GLU 4 HB1 GLU 4 33.289 -10.369 23.413 20 HG2 GLU 4 HG2 GLU 4 31.126 -12.400 24.021 21 HG3 GLU 4 HG1 GLU 4 32.265 -11.784 25.216 22 H THR 5 HN THR 5 32.399 -12.376 19.667 23 HA THR 5 HA THR 5 34.719 -10.744 18.884 24 HB THR 5 HB THR 5 33.819 -13.489 17.984 25 HG1 THR 5 HG1 THR 5 35.462 -14.199 19.222 26 HG21 THR 5 HG21 THR 5 36.099 -13.473 16.876 27 HG22 THR 5 HG22 THR 5 36.138 -11.734 17.172 28 HG23 THR 5 HG23 THR 5 34.889 -12.425 16.137 29 H LEU 6 HN LEU 6 34.496 -9.350 17.262 30 HA LEU 6 HA LEU 6 32.132 -9.593 15.508 31 HB2 LEU 6 HB2 LEU 6 33.836 -7.165 16.126 32 HB3 LEU 6 HB1 LEU 6 32.382 -7.185 15.133 33 HG LEU 6 HG LEU 6 32.482 -7.968 18.060 34 HD11 LEU 6 HD11 LEU 6 31.592 -5.439 16.653 35 HD12 LEU 6 HD12 LEU 6 32.828 -5.595 17.901 36 HD13 LEU 6 HD13 LEU 6 31.128 -5.834 18.309 37 HD21 LEU 6 HD21 LEU 6 30.260 -7.738 16.019 38 HD22 LEU 6 HD22 LEU 6 29.946 -7.728 17.753 39 HD23 LEU 6 HD23 LEU 6 30.689 -9.138 16.998 40 H CYS 7 HN CYS 7 32.460 -10.113 13.458 41 HA CYS 7 HA CYS 7 34.711 -9.193 11.941 42 HB2 CYS 7 HB2 CYS 7 35.638 -11.135 13.284 43 HB3 CYS 7 HB1 CYS 7 34.541 -12.177 12.377 44 H GLY 8 HN GLY 8 34.491 -9.596 9.714 45 HA2 GLY 8 HA2 GLY 8 33.328 -9.868 7.750 46 HA3 GLY 8 HA1 GLY 8 32.635 -11.302 8.500 47 H ALA 9 HN ALA 9 30.515 -11.215 8.148 48 HA ALA 9 HA ALA 9 28.978 -8.885 7.808 49 HB1 ALA 9 HB1 ALA 9 27.992 -10.824 6.953 50 HB2 ALA 9 HB2 ALA 9 27.042 -10.506 8.407 51 HB3 ALA 9 HB3 ALA 9 28.297 -11.744 8.427 52 H GLU 10 HN GLU 10 29.703 -10.827 10.676 53 HA GLU 10 HA GLU 10 27.827 -9.656 12.418 54 HB2 GLU 10 HB2 GLU 10 29.077 -11.702 12.960 55 HB3 GLU 10 HB1 GLU 10 30.566 -10.775 13.042 56 HG2 GLU 10 HG2 GLU 10 29.652 -9.430 14.884 57 HG3 GLU 10 HG1 GLU 10 28.132 -10.319 14.787 58 H LEU 11 HN LEU 11 31.144 -8.736 11.573 59 HA LEU 11 HA LEU 11 31.371 -6.605 13.407 60 HB2 LEU 11 HB2 LEU 11 33.327 -7.542 12.293 61 HB3 LEU 11 HB1 LEU 11 32.723 -6.997 10.730 62 HG LEU 11 HG LEU 11 32.837 -4.649 11.508 63 HD11 LEU 11 HD11 LEU 11 33.853 -5.967 14.035 64 HD12 LEU 11 HD12 LEU 11 32.488 -4.863 13.866 65 HD13 LEU 11 HD13 LEU 11 34.136 -4.265 13.673 66 HD21 LEU 11 HD21 LEU 11 35.453 -6.079 12.043 67 HD22 LEU 11 HD22 LEU 11 35.237 -4.440 11.429 68 HD23 LEU 11 HD23 LEU 11 34.803 -5.823 10.424 69 H VAL 12 HN VAL 12 30.272 -6.707 10.035 70 HA VAL 12 HA VAL 12 29.957 -3.966 9.650 71 HB VAL 12 HB VAL 12 28.584 -6.375 8.475 72 HG11 VAL 12 HG11 VAL 12 26.891 -4.662 8.327 73 HG12 VAL 12 HG12 VAL 12 27.695 -4.693 6.758 74 HG13 VAL 12 HG13 VAL 12 28.087 -3.430 7.927 75 HG21 VAL 12 HG21 VAL 12 30.867 -6.028 7.778 76 HG22 VAL 12 HG22 VAL 12 30.575 -4.311 7.500 77 HG23 VAL 12 HG23 VAL 12 29.824 -5.512 6.452 78 H ASP 13 HN ASP 13 27.638 -6.375 10.847 79 HA ASP 13 HA ASP 13 25.478 -4.587 11.219 80 HB2 ASP 13 HB2 ASP 13 25.283 -7.076 11.157 81 HB3 ASP 13 HB1 ASP 13 26.054 -7.138 12.741 82 H ALA 14 HN ALA 14 28.062 -5.706 13.372 83 HA ALA 14 HA ALA 14 27.163 -4.445 15.722 84 HB1 ALA 14 HB1 ALA 14 30.028 -4.978 14.919 85 HB2 ALA 14 HB2 ALA 14 28.946 -6.177 15.627 86 HB3 ALA 14 HB3 ALA 14 29.411 -4.752 16.556 87 H LEU 15 HN LEU 15 29.211 -3.292 13.076 88 HA LEU 15 HA LEU 15 30.024 -0.859 14.234 89 HB2 LEU 15 HB2 LEU 15 29.624 -1.723 11.367 90 HB3 LEU 15 HB1 LEU 15 30.264 -0.137 11.802 91 HG LEU 15 HG LEU 15 31.476 -2.680 12.896 92 HD11 LEU 15 HD11 LEU 15 33.134 -2.548 11.084 93 HD12 LEU 15 HD12 LEU 15 32.275 -1.176 10.381 94 HD13 LEU 15 HD13 LEU 15 31.519 -2.771 10.410 95 HD21 LEU 15 HD21 LEU 15 32.095 -0.635 14.047 96 HD22 LEU 15 HD22 LEU 15 32.408 0.179 12.517 97 HD23 LEU 15 HD23 LEU 15 33.461 -1.132 13.050 98 H GLN 16 HN GLN 16 27.191 -1.674 12.242 99 HA GLN 16 HA GLN 16 26.163 0.958 12.090 100 HB2 GLN 16 HB2 GLN 16 25.447 -0.893 10.602 101 HB3 GLN 16 HB1 GLN 16 24.637 -1.654 11.971 102 HG2 GLN 16 HG2 GLN 16 23.195 0.301 12.245 103 HG3 GLN 16 HG1 GLN 16 24.043 1.132 10.943 104 HE21 GLN 16 HE21 GLN 16 21.361 0.868 10.509 105 HE22 GLN 16 HE22 GLN 16 21.039 -0.364 9.385 106 H PHE 17 HN PHE 17 25.617 -1.711 14.354 107 HA PHE 17 HA PHE 17 23.577 -0.513 15.887 108 HB2 PHE 17 HB2 PHE 17 23.984 -2.843 16.162 109 HB3 PHE 17 HB1 PHE 17 25.676 -2.571 16.575 110 HD1 PHE 17 HD1 PHE 17 22.178 -2.221 17.763 111 HD2 PHE 17 HD2 PHE 17 26.344 -1.831 18.776 112 HE1 PHE 17 HE1 PHE 17 21.576 -2.001 20.160 113 HE2 PHE 17 HE2 PHE 17 25.738 -1.623 21.171 114 HZ PHE 17 HZ PHE 17 23.356 -1.705 21.865 115 H VAL 18 HN VAL 18 27.101 -0.582 16.394 116 HA VAL 18 HA VAL 18 27.130 0.907 18.777 117 HB VAL 18 HB VAL 18 29.220 0.597 16.613 118 HG11 VAL 18 HG11 VAL 18 29.725 2.605 17.866 119 HG12 VAL 18 HG12 VAL 18 30.790 1.324 18.441 120 HG13 VAL 18 HG13 VAL 18 29.377 1.788 19.389 121 HG21 VAL 18 HG21 VAL 18 28.999 -0.682 19.352 122 HG22 VAL 18 HG22 VAL 18 30.154 -1.081 18.080 123 HG23 VAL 18 HG23 VAL 18 28.445 -1.456 17.868 124 H CYS 19 HN CYS 19 27.534 1.957 15.395 125 HA CYS 19 HA CYS 19 27.763 4.736 16.115 126 HB2 CYS 19 HB2 CYS 19 27.255 3.423 13.435 127 HB3 CYS 19 HB1 CYS 19 27.666 5.119 13.687 128 H GLY 20 HN GLY 20 25.161 2.550 15.577 129 HA2 GLY 20 HA2 GLY 20 22.888 2.870 15.845 130 HA3 GLY 20 HA1 GLY 20 23.205 4.572 16.171 131 H ASP 21 HN ASP 21 21.432 5.169 14.847 132 HA ASP 21 HA ASP 21 21.120 4.410 12.145 133 HB2 ASP 21 HB2 ASP 21 20.168 6.817 13.699 134 HB3 ASP 21 HB1 ASP 21 19.734 6.532 12.015 135 H ARG 22 HN ARG 22 23.355 6.520 13.664 136 HA ARG 22 HA ARG 22 23.830 8.405 11.638 137 HB2 ARG 22 HB2 ARG 22 25.653 7.209 13.730 138 HB3 ARG 22 HB1 ARG 22 26.124 8.544 12.679 139 HG2 ARG 22 HG2 ARG 22 24.306 9.913 13.521 140 HG3 ARG 22 HG1 ARG 22 23.684 8.570 14.473 141 HD2 ARG 22 HD2 ARG 22 26.453 9.731 14.832 142 HD3 ARG 22 HD1 ARG 22 25.059 10.239 15.779 143 HE ARG 22 HE ARG 22 25.227 7.450 15.956 144 HH11 ARG 22 HH11 ARG 22 27.071 10.274 16.848 145 HH12 ARG 22 HH12 ARG 22 27.787 9.517 18.226 146 HH21 ARG 22 HH21 ARG 22 26.180 6.488 17.770 147 HH22 ARG 22 HH22 ARG 22 27.290 7.390 18.747 148 H GLY 23 HN GLY 23 25.046 5.121 12.126 149 HA2 GLY 23 HA2 GLY 23 25.797 3.649 10.472 150 HA3 GLY 23 HA1 GLY 23 25.803 4.982 9.320 151 H PHE 24 HN PHE 24 27.906 3.738 8.864 152 HA PHE 24 HA PHE 24 30.081 5.240 10.094 153 HB2 PHE 24 HB2 PHE 24 31.396 3.187 10.541 154 HB3 PHE 24 HB1 PHE 24 29.943 3.275 11.528 155 HD1 PHE 24 HD1 PHE 24 31.650 1.522 8.805 156 HD2 PHE 24 HD2 PHE 24 27.984 1.880 11.011 157 HE1 PHE 24 HE1 PHE 24 30.881 -0.647 7.888 158 HE2 PHE 24 HE2 PHE 24 27.219 -0.287 10.097 159 HZ PHE 24 HZ PHE 24 28.663 -1.552 8.536 160 H TYR 25 HN TYR 25 32.125 4.976 8.926 161 HA TYR 25 HA TYR 25 31.919 3.796 6.255 162 HB2 TYR 25 HB2 TYR 25 32.513 5.821 5.102 163 HB3 TYR 25 HB1 TYR 25 31.103 6.177 6.098 164 HD1 TYR 25 HD1 TYR 25 34.707 6.714 5.648 165 HD2 TYR 25 HD2 TYR 25 31.309 7.539 8.146 166 HE1 TYR 25 HE1 TYR 25 35.986 8.492 6.801 167 HE2 TYR 25 HE2 TYR 25 32.592 9.318 9.299 168 HH TYR 25 HH TYR 25 35.682 10.411 8.131 169 H PHE 26 HN PHE 26 34.017 3.775 5.140 170 HA PHE 26 HA PHE 26 36.252 3.725 7.077 171 HB2 PHE 26 HB2 PHE 26 35.827 2.077 4.572 172 HB3 PHE 26 HB1 PHE 26 37.262 2.012 5.596 173 HD1 PHE 26 HD1 PHE 26 33.701 1.155 5.316 174 HD2 PHE 26 HD2 PHE 26 37.155 1.085 7.867 175 HE1 PHE 26 HE1 PHE 26 32.557 -0.452 6.820 176 HE2 PHE 26 HE2 PHE 26 36.011 -0.520 9.372 177 HZ PHE 26 HZ PHE 26 33.712 -1.289 8.849 178 H ASN 27 HN ASN 27 35.052 5.104 4.166 179 HA ASN 27 HA ASN 27 37.539 6.624 3.867 180 HB2 ASN 27 HB2 ASN 27 37.472 4.563 2.303 181 HB3 ASN 27 HB1 ASN 27 36.225 5.453 1.430 182 HD21 ASN 27 HD21 ASN 27 37.552 5.880 -0.446 183 HD22 ASN 27 HD22 ASN 27 38.893 6.921 -0.380 184 H LYS 28 HN LYS 28 34.353 6.101 2.337 185 HA LYS 28 HA LYS 28 33.877 8.992 2.616 186 HB2 LYS 28 HB2 LYS 28 33.325 7.287 0.186 187 HB3 LYS 28 HB1 LYS 28 32.726 8.928 0.395 188 HG2 LYS 28 HG2 LYS 28 35.077 9.712 0.686 189 HG3 LYS 28 HG1 LYS 28 35.632 8.074 0.347 190 HD2 LYS 28 HD2 LYS 28 33.885 9.652 -1.555 191 HD3 LYS 28 HD1 LYS 28 35.646 9.635 -1.649 192 HE2 LYS 28 HE2 LYS 28 33.856 7.191 -1.809 193 HE3 LYS 28 HE1 LYS 28 34.662 7.960 -3.172 194 HZ1 LYS 28 HZ1 LYS 28 35.854 6.480 -0.918 195 HZ2 LYS 28 HZ2 LYS 28 36.772 7.619 -1.782 196 HZ3 LYS 28 HZ3 LYS 28 36.108 6.275 -2.584 197 HA PRO 29 HA PRO 29 29.981 7.859 4.363 198 HB2 PRO 29 HB2 PRO 29 28.362 9.869 3.406 199 HB3 PRO 29 HB1 PRO 29 29.518 10.079 4.733 200 HG2 PRO 29 HG2 PRO 29 29.780 10.800 1.855 201 HG3 PRO 29 HG1 PRO 29 30.292 11.696 3.298 202 HD2 PRO 29 HD2 PRO 29 32.040 10.288 1.797 203 HD3 PRO 29 HD1 PRO 29 32.233 10.452 3.553 204 H THR 30 HN THR 30 30.223 8.336 0.913 205 HA THR 30 HA THR 30 28.004 6.425 0.527 206 HB THR 30 HB THR 30 27.338 7.658 -1.494 207 HG1 THR 30 HG1 THR 30 28.639 9.091 -2.259 208 HG21 THR 30 HG21 THR 30 26.373 8.177 0.787 209 HG22 THR 30 HG22 THR 30 26.254 9.493 -0.381 210 HG23 THR 30 HG23 THR 30 27.494 9.536 0.873 211 H GLY 31 HN GLY 31 28.131 5.221 -1.498 212 HA2 GLY 31 HA2 GLY 31 30.571 5.263 -3.033 213 HA3 GLY 31 HA1 GLY 31 30.464 3.882 -1.946 214 H TYR 32 HN TYR 32 27.843 5.499 -3.711 215 HA TYR 32 HA TYR 32 26.612 3.109 -4.531 216 HB2 TYR 32 HB2 TYR 32 25.186 4.473 -5.869 217 HB3 TYR 32 HB1 TYR 32 25.588 5.437 -4.448 218 HD1 TYR 32 HD1 TYR 32 25.995 5.072 -8.064 219 HD2 TYR 32 HD2 TYR 32 27.256 7.266 -4.594 220 HE1 TYR 32 HE1 TYR 32 26.953 6.832 -9.525 221 HE2 TYR 32 HE2 TYR 32 28.214 9.026 -6.054 222 HH TYR 32 HH TYR 32 27.486 9.325 -9.289 223 H GLY 33 HN GLY 33 29.217 4.963 -5.907 224 HA2 GLY 33 HA2 GLY 33 29.100 3.861 -8.543 225 HA3 GLY 33 HA1 GLY 33 30.471 4.704 -7.828 226 H SER 34 HN SER 34 30.468 2.291 -9.476 227 HA SER 34 HA SER 34 31.428 0.275 -7.550 228 HB2 SER 34 HB2 SER 34 30.674 0.003 -10.466 229 HB3 SER 34 HB1 SER 34 31.286 -1.304 -9.457 230 HG SER 34 HG SER 34 29.482 -0.919 -8.067 231 H SER 35 HN SER 35 32.634 2.767 -9.330 232 HA SER 35 HA SER 35 34.861 1.642 -10.645 233 HB2 SER 35 HB2 SER 35 35.615 3.881 -10.864 234 HB3 SER 35 HB1 SER 35 33.855 3.966 -10.906 235 HG SER 35 HG SER 35 35.596 4.511 -8.733 236 H SER 36 HN SER 36 34.181 2.241 -7.315 237 HA SER 36 HA SER 36 36.869 1.304 -6.609 238 HB2 SER 36 HB2 SER 36 37.012 3.740 -6.459 239 HB3 SER 36 HB1 SER 36 35.570 3.781 -5.449 240 HG SER 36 HG SER 36 36.679 2.924 -3.811 241 H ARG 37 HN ARG 37 36.961 0.145 -4.704 242 HA ARG 37 HA ARG 37 34.534 -1.092 -3.847 243 HB2 ARG 37 HB2 ARG 37 37.344 -1.195 -2.735 244 HB3 ARG 37 HB1 ARG 37 36.013 -2.203 -2.166 245 HG2 ARG 37 HG2 ARG 37 35.758 -3.213 -4.350 246 HG3 ARG 37 HG1 ARG 37 36.934 -2.098 -5.048 247 HD2 ARG 37 HD2 ARG 37 38.029 -4.224 -4.629 248 HD3 ARG 37 HD1 ARG 37 38.665 -3.021 -3.512 249 HE ARG 37 HE ARG 37 36.487 -4.385 -2.311 250 HH11 ARG 37 HH11 ARG 37 39.807 -4.828 -3.292 251 HH12 ARG 37 HH12 ARG 37 40.128 -6.024 -2.090 252 HH21 ARG 37 HH21 ARG 37 36.940 -5.957 -0.745 253 HH22 ARG 37 HH22 ARG 37 38.519 -6.661 -0.656 254 H ARG 38 HN ARG 38 33.616 -1.060 -1.736 255 HA ARG 38 HA ARG 38 33.254 1.511 -0.660 256 HB2 ARG 38 HB2 ARG 38 31.575 -0.229 -0.386 257 HB3 ARG 38 HB1 ARG 38 32.700 -1.205 0.560 258 HG2 ARG 38 HG2 ARG 38 31.140 -0.005 2.041 259 HG3 ARG 38 HG1 ARG 38 32.782 0.584 2.282 260 HD2 ARG 38 HD2 ARG 38 32.350 2.519 0.885 261 HD3 ARG 38 HD1 ARG 38 30.761 1.896 0.450 262 HE ARG 38 HE ARG 38 30.794 2.097 3.220 263 HH11 ARG 38 HH11 ARG 38 31.179 4.206 0.466 264 HH12 ARG 38 HH12 ARG 38 30.536 5.585 1.283 265 HH21 ARG 38 HH21 ARG 38 29.950 3.918 4.259 266 HH22 ARG 38 HH22 ARG 38 29.844 5.426 3.415 267 H ALA 39 HN ALA 39 35.193 -1.236 0.474 268 HA ALA 39 HA ALA 39 36.720 0.643 2.166 269 HB1 ALA 39 HB1 ALA 39 35.966 -2.188 2.919 270 HB2 ALA 39 HB2 ALA 39 35.183 -0.738 3.547 271 HB3 ALA 39 HB3 ALA 39 36.883 -1.046 3.902 272 HA PRO 40 HA PRO 40 39.569 -1.823 -0.496 273 HB2 PRO 40 HB2 PRO 40 40.796 0.264 -1.736 274 HB3 PRO 40 HB1 PRO 40 39.262 -0.424 -2.305 275 HG2 PRO 40 HG2 PRO 40 39.781 2.099 -0.860 276 HG3 PRO 40 HG1 PRO 40 38.503 1.693 -2.013 277 HD2 PRO 40 HD2 PRO 40 38.248 1.773 0.800 278 HD3 PRO 40 HD1 PRO 40 37.075 1.094 -0.343 279 H GLN 41 HN GLN 41 39.838 -0.810 2.322 280 HA GLN 41 HA GLN 41 42.731 -0.875 2.448 281 HB2 GLN 41 HB2 GLN 41 42.239 1.525 2.312 282 HB3 GLN 41 HB1 GLN 41 41.114 1.377 3.662 283 HG2 GLN 41 HG2 GLN 41 42.924 0.635 5.125 284 HG3 GLN 41 HG1 GLN 41 44.062 0.705 3.781 285 HE21 GLN 41 HE21 GLN 41 44.850 2.276 5.820 286 HE22 GLN 41 HE22 GLN 41 44.493 3.913 5.546 287 H THR 42 HN THR 42 42.948 -2.606 3.711 288 HA THR 42 HA THR 42 41.060 -3.277 5.784 289 HB THR 42 HB THR 42 42.580 -5.163 6.233 290 HG1 THR 42 HG1 THR 42 44.586 -4.783 5.807 291 HG21 THR 42 HG21 THR 42 40.926 -5.149 4.303 292 HG22 THR 42 HG22 THR 42 42.261 -6.290 4.148 293 HG23 THR 42 HG23 THR 42 42.289 -4.773 3.248 294 H GLY 43 HN GLY 43 41.756 -3.671 8.034 295 HA2 GLY 43 HA2 GLY 43 43.876 -2.986 9.459 296 HA3 GLY 43 HA1 GLY 43 43.297 -1.385 9.011 297 H ILE 44 HN ILE 44 40.845 -1.068 9.445 298 HA ILE 44 HA ILE 44 40.379 -1.348 12.202 299 HB ILE 44 HB ILE 44 38.552 -0.702 9.887 300 HG12 ILE 44 HG12 ILE 44 39.631 1.061 12.099 301 HG13 ILE 44 HG11 ILE 44 40.437 0.873 10.542 302 HG21 ILE 44 HG21 ILE 44 38.016 -0.705 12.858 303 HG22 ILE 44 HG22 ILE 44 37.154 -1.609 11.614 304 HG23 ILE 44 HG23 ILE 44 37.012 0.144 11.684 305 HD11 ILE 44 HD11 ILE 44 37.571 1.803 10.901 306 HD12 ILE 44 HD12 ILE 44 38.450 1.696 9.376 307 HD13 ILE 44 HD13 ILE 44 38.945 2.869 10.598 308 H VAL 45 HN VAL 45 39.009 -3.092 9.416 309 HA VAL 45 HA VAL 45 37.321 -4.800 10.897 310 HB VAL 45 HB VAL 45 38.600 -5.101 8.178 311 HG11 VAL 45 HG11 VAL 45 36.649 -6.878 9.668 312 HG12 VAL 45 HG12 VAL 45 38.181 -7.341 8.922 313 HG13 VAL 45 HG13 VAL 45 36.802 -6.901 7.910 314 HG21 VAL 45 HG21 VAL 45 36.970 -3.326 8.271 315 HG22 VAL 45 HG22 VAL 45 35.853 -4.325 9.200 316 HG23 VAL 45 HG23 VAL 45 36.181 -4.709 7.509 317 H ASP 46 HN ASP 46 40.620 -5.265 9.665 318 HA ASP 46 HA ASP 46 40.937 -7.905 10.609 319 HB2 ASP 46 HB2 ASP 46 42.931 -5.732 9.976 320 HB3 ASP 46 HB1 ASP 46 43.404 -7.362 10.445 321 H GLU 47 HN GLU 47 41.614 -4.757 12.115 322 HA GLU 47 HA GLU 47 42.984 -5.736 14.368 323 HB2 GLU 47 HB2 GLU 47 42.938 -3.362 13.729 324 HB3 GLU 47 HB1 GLU 47 41.217 -3.293 14.116 325 HG2 GLU 47 HG2 GLU 47 42.544 -2.426 15.988 326 HG3 GLU 47 HG1 GLU 47 41.728 -3.913 16.460 327 H CYS 48 HN CYS 48 39.522 -4.915 13.979 328 HA CYS 48 HA CYS 48 38.789 -5.800 16.601 329 HB2 CYS 48 HB2 CYS 48 37.129 -5.338 14.118 330 HB3 CYS 48 HB1 CYS 48 36.479 -5.690 15.707 331 H CYS 49 HN CYS 49 38.683 -7.298 13.395 332 HA CYS 49 HA CYS 49 37.296 -9.635 14.102 333 HB2 CYS 49 HB2 CYS 49 37.649 -8.929 11.772 334 HB3 CYS 49 HB1 CYS 49 39.373 -9.258 11.937 335 H PHE 50 HN PHE 50 40.796 -9.004 13.902 336 HA PHE 50 HA PHE 50 41.372 -11.624 14.992 337 HB2 PHE 50 HB2 PHE 50 43.048 -9.323 14.019 338 HB3 PHE 50 HB1 PHE 50 43.782 -10.714 14.831 339 HD1 PHE 50 HD1 PHE 50 41.724 -9.610 11.954 340 HD2 PHE 50 HD2 PHE 50 43.999 -12.821 13.672 341 HE1 PHE 50 HE1 PHE 50 41.605 -10.828 9.804 342 HE2 PHE 50 HE2 PHE 50 43.883 -14.050 11.520 343 HZ PHE 50 HZ PHE 50 42.688 -13.055 9.585 344 H ARG 51 HN ARG 51 42.523 -8.367 15.874 345 HA ARG 51 HA ARG 51 42.954 -9.141 18.620 346 HB2 ARG 51 HB2 ARG 51 43.241 -6.515 17.158 347 HB3 ARG 51 HB1 ARG 51 43.585 -6.712 18.876 348 HG2 ARG 51 HG2 ARG 51 45.262 -8.420 18.382 349 HG3 ARG 51 HG1 ARG 51 44.888 -8.320 16.660 350 HD2 ARG 51 HD2 ARG 51 45.600 -5.979 16.615 351 HD3 ARG 51 HD1 ARG 51 45.916 -6.023 18.347 352 HE ARG 51 HE ARG 51 47.417 -8.068 17.144 353 HH11 ARG 51 HH11 ARG 51 47.204 -4.585 17.175 354 HH12 ARG 51 HH12 ARG 51 48.883 -4.360 16.849 355 HH21 ARG 51 HH21 ARG 51 49.616 -7.739 16.721 356 HH22 ARG 51 HH22 ARG 51 50.244 -6.129 16.594 357 H SER 52 HN SER 52 42.098 -7.709 20.401 358 HA SER 52 HA SER 52 39.200 -7.443 20.046 359 HB2 SER 52 HB2 SER 52 40.938 -7.430 22.523 360 HB3 SER 52 HB1 SER 52 39.186 -7.249 22.532 361 HG SER 52 HG SER 52 39.071 -9.332 22.371 362 H CYS 53 HN CYS 53 39.264 -5.476 18.812 363 HA CYS 53 HA CYS 53 40.515 -3.109 19.789 364 HB2 CYS 53 HB2 CYS 53 39.259 -1.968 18.046 365 HB3 CYS 53 HB1 CYS 53 39.897 -3.479 17.404 366 H ASP 54 HN ASP 54 39.656 -1.372 20.897 367 HA ASP 54 HA ASP 54 37.561 -1.966 22.757 368 HB2 ASP 54 HB2 ASP 54 39.139 0.537 22.168 369 HB3 ASP 54 HB1 ASP 54 37.896 0.459 23.415 370 H LEU 55 HN LEU 55 35.510 -1.095 22.912 371 HA LEU 55 HA LEU 55 34.132 -0.575 20.495 372 HB2 LEU 55 HB2 LEU 55 33.350 -0.202 23.389 373 HB3 LEU 55 HB1 LEU 55 32.243 0.080 22.045 374 HG LEU 55 HG LEU 55 33.737 -2.527 22.424 375 HD11 LEU 55 HD11 LEU 55 30.861 -1.931 23.171 376 HD12 LEU 55 HD12 LEU 55 32.180 -1.965 24.342 377 HD13 LEU 55 HD13 LEU 55 31.752 -3.427 23.454 378 HD21 LEU 55 HD21 LEU 55 31.764 -3.293 20.959 379 HD22 LEU 55 HD22 LEU 55 32.976 -2.288 20.170 380 HD23 LEU 55 HD23 LEU 55 31.443 -1.581 20.683 381 H ARG 56 HN ARG 56 35.412 1.529 23.028 382 HA ARG 56 HA ARG 56 34.220 3.934 22.225 383 HB2 ARG 56 HB2 ARG 56 35.442 3.683 24.339 384 HB3 ARG 56 HB1 ARG 56 36.955 3.495 23.450 385 HG2 ARG 56 HG2 ARG 56 36.685 5.750 22.495 386 HG3 ARG 56 HG1 ARG 56 35.163 5.940 23.365 387 HD2 ARG 56 HD2 ARG 56 36.328 5.713 25.505 388 HD3 ARG 56 HD1 ARG 56 37.853 5.440 24.668 389 HE ARG 56 HE ARG 56 36.757 7.900 23.812 390 HH11 ARG 56 HH11 ARG 56 38.182 6.389 26.615 391 HH12 ARG 56 HH12 ARG 56 38.821 7.869 27.236 392 HH21 ARG 56 HH21 ARG 56 37.609 9.823 24.648 393 HH22 ARG 56 HH22 ARG 56 38.501 9.800 26.134 394 H ARG 57 HN ARG 57 37.327 2.485 21.227 395 HA ARG 57 HA ARG 57 38.060 4.562 19.458 396 HB2 ARG 57 HB2 ARG 57 39.497 2.676 20.467 397 HB3 ARG 57 HB1 ARG 57 38.899 1.708 19.116 398 HG2 ARG 57 HG2 ARG 57 39.834 3.161 17.507 399 HG3 ARG 57 HG1 ARG 57 40.075 4.444 18.695 400 HD2 ARG 57 HD2 ARG 57 42.223 3.404 18.274 401 HD3 ARG 57 HD1 ARG 57 41.689 2.951 19.889 402 HE ARG 57 HE ARG 57 41.397 0.763 19.157 403 HH11 ARG 57 HH11 ARG 57 41.964 2.887 16.440 404 HH12 ARG 57 HH12 ARG 57 42.207 1.589 15.330 405 HH21 ARG 57 HH21 ARG 57 41.749 -0.908 17.671 406 HH22 ARG 57 HH22 ARG 57 42.084 -0.537 16.013 407 H LEU 58 HN LEU 58 36.195 1.598 19.079 408 HA LEU 58 HA LEU 58 36.039 1.513 16.276 409 HB2 LEU 58 HB2 LEU 58 35.261 -0.246 17.968 410 HB3 LEU 58 HB1 LEU 58 33.784 0.709 18.113 411 HG LEU 58 HG LEU 58 33.675 0.594 15.538 412 HD11 LEU 58 HD11 LEU 58 35.746 -1.522 16.164 413 HD12 LEU 58 HD12 LEU 58 35.872 -0.193 15.020 414 HD13 LEU 58 HD13 LEU 58 34.792 -1.538 14.682 415 HD21 LEU 58 HD21 LEU 58 32.745 -1.783 15.664 416 HD22 LEU 58 HD22 LEU 58 32.077 -0.635 16.822 417 HD23 LEU 58 HD23 LEU 58 33.289 -1.805 17.340 418 H ASP 59 HN ASP 59 34.253 3.390 18.652 419 HA ASP 59 HA ASP 59 32.125 4.259 17.043 420 HB2 ASP 59 HB2 ASP 59 33.503 5.549 19.390 421 HB3 ASP 59 HB1 ASP 59 32.069 6.229 18.629 422 H MET 60 HN MET 60 35.461 5.154 17.056 423 HA MET 60 HA MET 60 35.340 7.753 15.983 424 HB2 MET 60 HB2 MET 60 37.404 5.566 15.694 425 HB3 MET 60 HB1 MET 60 37.630 7.204 15.103 426 HG2 MET 60 HG2 MET 60 36.877 6.628 17.971 427 HG3 MET 60 HG1 MET 60 38.556 6.732 17.439 428 HE1 MET 60 HE1 MET 60 38.898 10.128 15.885 429 HE2 MET 60 HE2 MET 60 39.204 8.397 15.737 430 HE3 MET 60 HE3 MET 60 39.813 9.279 17.136 431 H TYR 61 HN TYR 61 35.122 4.580 14.475 432 HA TYR 61 HA TYR 61 35.302 5.603 11.781 433 HB2 TYR 61 HB2 TYR 61 34.181 2.909 12.503 434 HB3 TYR 61 HB1 TYR 61 35.099 3.383 11.080 435 HD1 TYR 61 HD1 TYR 61 35.524 1.241 13.541 436 HD2 TYR 61 HD2 TYR 61 37.326 4.927 12.263 437 HE1 TYR 61 HE1 TYR 61 37.644 0.597 14.658 438 HE2 TYR 61 HE2 TYR 61 39.439 4.291 13.389 439 HH TYR 61 HH TYR 61 40.023 1.115 14.513 440 H CYS 62 HN CYS 62 32.961 6.144 13.939 441 HA CYS 62 HA CYS 62 30.615 5.416 12.461 442 HB2 CYS 62 HB2 CYS 62 31.074 7.332 14.758 443 HB3 CYS 62 HB1 CYS 62 29.484 6.982 14.086 444 H ALA 63 HN ALA 63 29.048 7.101 11.738 445 HA ALA 63 HA ALA 63 30.484 9.302 10.386 446 HB1 ALA 63 HB1 ALA 63 27.910 8.205 9.358 447 HB2 ALA 63 HB2 ALA 63 29.413 7.338 9.044 448 HB3 ALA 63 HB3 ALA 63 29.222 9.004 8.493 449 HA PRO 64 HA PRO 64 27.592 11.366 13.363 450 HB2 PRO 64 HB2 PRO 64 29.374 13.631 12.602 451 HB3 PRO 64 HB1 PRO 64 28.874 13.079 14.214 452 HG2 PRO 64 HG2 PRO 64 31.329 12.633 13.320 453 HG3 PRO 64 HG1 PRO 64 30.470 11.418 14.287 454 HD2 PRO 64 HD2 PRO 64 30.946 11.465 11.315 455 HD3 PRO 64 HD1 PRO 64 30.964 10.090 12.444 456 H LEU 65 HN LEU 65 25.879 12.776 12.972 457 HA LEU 65 HA LEU 65 25.146 13.178 10.229 458 HB2 LEU 65 HB2 LEU 65 23.867 14.247 12.759 459 HB3 LEU 65 HB1 LEU 65 23.128 14.220 11.158 460 HG LEU 65 HG LEU 65 24.057 11.771 12.675 461 HD11 LEU 65 HD11 LEU 65 22.132 12.603 13.809 462 HD12 LEU 65 HD12 LEU 65 21.540 11.328 12.742 463 HD13 LEU 65 HD13 LEU 65 21.334 13.022 12.293 464 HD21 LEU 65 HD21 LEU 65 22.629 10.639 10.878 465 HD22 LEU 65 HD22 LEU 65 24.161 11.320 10.329 466 HD23 LEU 65 HD23 LEU 65 22.654 12.184 10.028 467 H LYS 66 HN LYS 66 25.003 15.065 9.070 468 HA LYS 66 HA LYS 66 26.919 17.065 9.697 469 HB2 LYS 66 HB2 LYS 66 24.791 16.928 7.560 470 HB3 LYS 66 HB1 LYS 66 25.979 18.226 7.676 471 HG2 LYS 66 HG2 LYS 66 27.807 16.585 7.509 472 HG3 LYS 66 HG1 LYS 66 26.626 15.278 7.398 473 HD2 LYS 66 HD2 LYS 66 25.713 16.267 5.334 474 HD3 LYS 66 HD1 LYS 66 26.885 17.582 5.441 475 HE2 LYS 66 HE2 LYS 66 28.732 15.964 5.271 476 HE3 LYS 66 HE1 LYS 66 27.571 14.638 5.183 477 HZ1 LYS 66 HZ1 LYS 66 28.311 15.275 2.985 478 HZ2 LYS 66 HZ2 LYS 66 27.814 16.880 3.248 479 HZ3 LYS 66 HZ3 LYS 66 26.663 15.633 3.168 480 HA PRO 67 HA PRO 67 24.721 20.076 12.055 481 HB2 PRO 67 HB2 PRO 67 25.419 22.092 9.965 482 HB3 PRO 67 HB1 PRO 67 25.732 22.123 11.710 483 HG2 PRO 67 HG2 PRO 67 27.682 21.632 9.990 484 HG3 PRO 67 HG1 PRO 67 27.589 20.770 11.537 485 HD2 PRO 67 HD2 PRO 67 26.909 19.790 8.787 486 HD3 PRO 67 HD1 PRO 67 27.641 18.919 10.154 487 H ALA 68 HN ALA 68 22.641 20.844 12.183 488 HA ALA 68 HA ALA 68 20.773 20.246 10.167 489 HB1 ALA 68 HB1 ALA 68 20.670 21.877 12.686 490 HB2 ALA 68 HB2 ALA 68 19.880 20.340 12.326 491 HB3 ALA 68 HB3 ALA 68 19.286 21.830 11.593 492 H LYS 69 HN LYS 69 22.354 23.270 11.068 493 HA LYS 69 HA LYS 69 21.780 24.358 8.426 494 HB2 LYS 69 HB2 LYS 69 20.757 26.402 9.275 495 HB3 LYS 69 HB1 LYS 69 19.809 25.007 9.788 496 HG2 LYS 69 HG2 LYS 69 20.965 25.042 11.981 497 HG3 LYS 69 HG1 LYS 69 21.867 26.469 11.468 498 HD2 LYS 69 HD2 LYS 69 19.761 27.713 11.181 499 HD3 LYS 69 HD1 LYS 69 18.848 26.288 11.681 500 HE2 LYS 69 HE2 LYS 69 19.973 26.329 13.875 501 HE3 LYS 69 HE1 LYS 69 20.891 27.751 13.379 502 HZ1 LYS 69 HZ1 LYS 69 18.584 28.742 12.908 503 HZ2 LYS 69 HZ2 LYS 69 19.112 28.646 14.520 504 HZ3 LYS 69 HZ3 LYS 69 18.003 27.507 13.917 505 H SER 70 HN SER 70 22.955 26.385 8.031 506 HA SER 70 HA SER 70 25.635 26.233 8.915 507 HB2 SER 70 HB2 SER 70 25.957 28.316 7.688 508 HB3 SER 70 HB1 SER 70 24.944 27.222 6.752 509 HG SER 70 HG SER 70 23.249 28.481 7.093 510 H ALA 71 HN ALA 71 22.841 27.847 10.187 511 HA ALA 71 HA ALA 71 24.400 29.640 11.871 512 HB1 ALA 71 HB1 ALA 71 21.419 29.116 11.796 513 HB2 ALA 71 HB2 ALA 71 22.253 30.397 10.915 514 HB3 ALA 71 HB3 ALA 71 22.220 30.416 12.679 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 30.574 -15.764 10.070 2 H2 GLY 1 HT2 GLY 1 32.253 -15.726 9.817 3 H3 GLY 1 HT3 GLY 1 31.526 -14.628 10.892 4 HA2 GLY 1 HA2 GLY 1 31.203 -16.191 12.526 5 HA3 GLY 1 HA1 GLY 1 31.256 -17.519 11.365 6 H GLY 2 HN GLY 2 32.786 -17.731 13.604 7 HA2 GLY 2 HA2 GLY 2 35.349 -18.270 12.632 8 HA3 GLY 2 HA1 GLY 2 35.415 -16.691 13.409 9 HA PRO 3 HA PRO 3 35.920 -20.039 16.629 10 HB2 PRO 3 HB2 PRO 3 38.353 -19.224 17.558 11 HB3 PRO 3 HB1 PRO 3 38.164 -20.348 16.199 12 HG2 PRO 3 HG2 PRO 3 38.773 -17.437 16.175 13 HG3 PRO 3 HG1 PRO 3 39.406 -18.734 15.146 14 HD2 PRO 3 HD2 PRO 3 37.418 -16.994 14.342 15 HD3 PRO 3 HD1 PRO 3 37.610 -18.638 13.691 16 H GLU 4 HN GLU 4 34.106 -18.419 17.277 17 HA GLU 4 HA GLU 4 33.164 -17.094 18.899 18 HB2 GLU 4 HB2 GLU 4 35.698 -17.901 20.340 19 HB3 GLU 4 HB1 GLU 4 34.371 -17.027 21.099 20 HG2 GLU 4 HG2 GLU 4 32.832 -18.847 20.616 21 HG3 GLU 4 HG1 GLU 4 34.076 -19.702 19.705 22 H THR 5 HN THR 5 34.459 -15.734 16.859 23 HA THR 5 HA THR 5 35.438 -13.354 18.306 24 HB THR 5 HB THR 5 37.029 -12.931 16.471 25 HG1 THR 5 HG1 THR 5 37.275 -14.408 14.868 26 HG21 THR 5 HG21 THR 5 37.492 -15.739 17.448 27 HG22 THR 5 HG22 THR 5 37.544 -14.375 18.562 28 HG23 THR 5 HG23 THR 5 38.669 -14.453 17.208 29 H LEU 6 HN LEU 6 35.165 -11.340 17.083 30 HA LEU 6 HA LEU 6 32.620 -11.362 15.651 31 HB2 LEU 6 HB2 LEU 6 34.353 -9.055 16.577 32 HB3 LEU 6 HB1 LEU 6 32.734 -8.914 15.891 33 HG LEU 6 HG LEU 6 33.390 -10.490 18.394 34 HD11 LEU 6 HD11 LEU 6 32.107 -7.757 18.088 35 HD12 LEU 6 HD12 LEU 6 33.727 -8.057 18.714 36 HD13 LEU 6 HD13 LEU 6 32.317 -8.635 19.603 37 HD21 LEU 6 HD21 LEU 6 30.826 -9.739 16.966 38 HD22 LEU 6 HD22 LEU 6 30.853 -10.293 18.640 39 HD23 LEU 6 HD23 LEU 6 31.413 -11.358 17.354 40 H CYS 7 HN CYS 7 33.285 -12.303 13.671 41 HA CYS 7 HA CYS 7 34.652 -10.390 11.902 42 HB2 CYS 7 HB2 CYS 7 35.233 -13.358 12.033 43 HB3 CYS 7 HB1 CYS 7 35.869 -12.245 10.826 44 H GLY 8 HN GLY 8 34.029 -10.522 9.708 45 HA2 GLY 8 HA2 GLY 8 32.776 -11.342 7.885 46 HA3 GLY 8 HA1 GLY 8 31.898 -12.397 8.988 47 H ALA 9 HN ALA 9 29.890 -11.720 8.144 48 HA ALA 9 HA ALA 9 29.037 -9.052 7.906 49 HB1 ALA 9 HB1 ALA 9 27.412 -11.545 8.459 50 HB2 ALA 9 HB2 ALA 9 27.820 -10.899 6.869 51 HB3 ALA 9 HB3 ALA 9 26.750 -9.995 7.941 52 H GLU 10 HN GLU 10 29.032 -11.285 10.633 53 HA GLU 10 HA GLU 10 27.370 -9.850 12.380 54 HB2 GLU 10 HB2 GLU 10 29.715 -11.686 12.902 55 HB3 GLU 10 HB1 GLU 10 28.696 -11.034 14.186 56 HG2 GLU 10 HG2 GLU 10 26.726 -12.077 13.231 57 HG3 GLU 10 HG1 GLU 10 27.643 -12.608 11.822 58 H LEU 11 HN LEU 11 30.858 -9.614 11.783 59 HA LEU 11 HA LEU 11 31.399 -7.701 13.795 60 HB2 LEU 11 HB2 LEU 11 33.181 -8.999 12.743 61 HB3 LEU 11 HB1 LEU 11 32.844 -8.244 11.191 62 HG LEU 11 HG LEU 11 33.414 -6.039 12.126 63 HD11 LEU 11 HD11 LEU 11 32.788 -6.259 14.421 64 HD12 LEU 11 HD12 LEU 11 34.538 -6.064 14.425 65 HD13 LEU 11 HD13 LEU 11 33.830 -7.662 14.643 66 HD21 LEU 11 HD21 LEU 11 35.676 -7.849 12.941 67 HD22 LEU 11 HD22 LEU 11 35.730 -6.334 12.040 68 HD23 LEU 11 HD23 LEU 11 35.164 -7.809 11.257 69 H VAL 12 HN VAL 12 30.583 -7.395 10.359 70 HA VAL 12 HA VAL 12 30.869 -4.610 10.152 71 HB VAL 12 HB VAL 12 29.209 -6.623 8.646 72 HG11 VAL 12 HG11 VAL 12 28.874 -4.691 6.999 73 HG12 VAL 12 HG12 VAL 12 29.365 -3.611 8.304 74 HG13 VAL 12 HG13 VAL 12 27.915 -4.602 8.476 75 HG21 VAL 12 HG21 VAL 12 31.547 -6.757 8.174 76 HG22 VAL 12 HG22 VAL 12 31.707 -5.002 8.106 77 HG23 VAL 12 HG23 VAL 12 30.835 -5.859 6.834 78 H ASP 13 HN ASP 13 28.097 -6.622 11.066 79 HA ASP 13 HA ASP 13 26.164 -4.589 11.244 80 HB2 ASP 13 HB2 ASP 13 25.667 -7.024 11.309 81 HB3 ASP 13 HB1 ASP 13 26.361 -7.096 12.928 82 H ALA 14 HN ALA 14 28.540 -5.783 13.582 83 HA ALA 14 HA ALA 14 27.636 -4.372 15.840 84 HB1 ALA 14 HB1 ALA 14 30.502 -5.047 15.138 85 HB2 ALA 14 HB2 ALA 14 29.360 -6.179 15.862 86 HB3 ALA 14 HB3 ALA 14 29.852 -4.736 16.749 87 H LEU 15 HN LEU 15 29.882 -3.449 13.249 88 HA LEU 15 HA LEU 15 30.680 -0.963 14.311 89 HB2 LEU 15 HB2 LEU 15 30.460 -1.978 11.475 90 HB3 LEU 15 HB1 LEU 15 31.121 -0.391 11.871 91 HG LEU 15 HG LEU 15 32.148 -2.943 13.130 92 HD11 LEU 15 HD11 LEU 15 32.397 -2.929 10.616 93 HD12 LEU 15 HD12 LEU 15 33.925 -2.958 11.496 94 HD13 LEU 15 HD13 LEU 15 33.349 -1.451 10.780 95 HD21 LEU 15 HD21 LEU 15 33.180 -0.100 12.890 96 HD22 LEU 15 HD22 LEU 15 34.150 -1.442 13.498 97 HD23 LEU 15 HD23 LEU 15 32.707 -0.937 14.367 98 H GLN 16 HN GLN 16 27.978 -1.822 12.168 99 HA GLN 16 HA GLN 16 27.017 0.824 11.829 100 HB2 GLN 16 HB2 GLN 16 26.412 -1.068 10.343 101 HB3 GLN 16 HB1 GLN 16 25.480 -1.779 11.660 102 HG2 GLN 16 HG2 GLN 16 24.003 -0.504 10.180 103 HG3 GLN 16 HG1 GLN 16 24.090 0.268 11.761 104 HE21 GLN 16 HE21 GLN 16 25.804 0.409 8.582 105 HE22 GLN 16 HE22 GLN 16 26.008 2.095 8.610 106 H PHE 17 HN PHE 17 26.332 -1.731 14.173 107 HA PHE 17 HA PHE 17 24.108 -0.562 15.425 108 HB2 PHE 17 HB2 PHE 17 24.588 -2.827 15.945 109 HB3 PHE 17 HB1 PHE 17 26.243 -2.450 16.420 110 HD1 PHE 17 HD1 PHE 17 22.677 -2.119 17.379 111 HD2 PHE 17 HD2 PHE 17 26.763 -1.573 18.600 112 HE1 PHE 17 HE1 PHE 17 21.929 -1.752 19.714 113 HE2 PHE 17 HE2 PHE 17 26.012 -1.212 20.937 114 HZ PHE 17 HZ PHE 17 23.596 -1.300 21.495 115 H VAL 18 HN VAL 18 27.571 -0.347 16.239 116 HA VAL 18 HA VAL 18 27.238 1.355 18.469 117 HB VAL 18 HB VAL 18 29.606 0.917 16.639 118 HG11 VAL 18 HG11 VAL 18 30.889 1.886 18.597 119 HG12 VAL 18 HG12 VAL 18 29.341 2.423 19.250 120 HG13 VAL 18 HG13 VAL 18 29.913 3.055 17.706 121 HG21 VAL 18 HG21 VAL 18 29.100 -1.099 17.798 122 HG22 VAL 18 HG22 VAL 18 28.694 -0.237 19.282 123 HG23 VAL 18 HG23 VAL 18 30.372 -0.338 18.754 124 H CYS 19 HN CYS 19 28.011 2.046 15.070 125 HA CYS 19 HA CYS 19 28.221 4.861 15.396 126 HB2 CYS 19 HB2 CYS 19 27.575 3.230 12.929 127 HB3 CYS 19 HB1 CYS 19 28.036 4.928 12.937 128 H GLY 20 HN GLY 20 25.543 2.723 14.588 129 HA2 GLY 20 HA2 GLY 20 23.273 3.072 14.520 130 HA3 GLY 20 HA1 GLY 20 23.561 4.443 15.586 131 H ASP 21 HN ASP 21 22.524 6.144 14.745 132 HA ASP 21 HA ASP 21 21.860 6.519 12.047 133 HB2 ASP 21 HB2 ASP 21 22.144 8.475 14.333 134 HB3 ASP 21 HB1 ASP 21 21.550 8.941 12.741 135 H ARG 22 HN ARG 22 24.709 7.456 13.894 136 HA ARG 22 HA ARG 22 25.826 9.267 12.043 137 HB2 ARG 22 HB2 ARG 22 27.154 7.446 14.062 138 HB3 ARG 22 HB1 ARG 22 27.983 8.728 13.185 139 HG2 ARG 22 HG2 ARG 22 25.520 9.195 14.884 140 HG3 ARG 22 HG1 ARG 22 27.168 9.399 15.481 141 HD2 ARG 22 HD2 ARG 22 26.854 11.541 14.757 142 HD3 ARG 22 HD1 ARG 22 27.335 10.849 13.211 143 HE ARG 22 HE ARG 22 24.512 10.621 13.627 144 HH11 ARG 22 HH11 ARG 22 27.070 12.800 12.773 145 HH12 ARG 22 HH12 ARG 22 26.058 13.830 11.828 146 HH21 ARG 22 HH21 ARG 22 23.181 11.977 12.382 147 HH22 ARG 22 HH22 ARG 22 23.857 13.368 11.604 148 H GLY 23 HN GLY 23 26.009 5.749 12.311 149 HA2 GLY 23 HA2 GLY 23 26.710 4.145 10.820 150 HA3 GLY 23 HA1 GLY 23 26.503 5.359 9.561 151 H PHE 24 HN PHE 24 28.442 4.144 8.717 152 HA PHE 24 HA PHE 24 30.832 5.654 9.401 153 HB2 PHE 24 HB2 PHE 24 32.229 3.710 9.799 154 HB3 PHE 24 HB1 PHE 24 30.886 3.697 10.945 155 HD1 PHE 24 HD1 PHE 24 32.459 2.015 8.115 156 HD2 PHE 24 HD2 PHE 24 28.937 2.183 10.568 157 HE1 PHE 24 HE1 PHE 24 31.769 -0.213 7.280 158 HE2 PHE 24 HE2 PHE 24 28.249 -0.048 9.735 159 HZ PHE 24 HZ PHE 24 29.664 -1.245 8.092 160 H TYR 25 HN TYR 25 32.559 5.337 7.827 161 HA TYR 25 HA TYR 25 31.930 3.875 5.397 162 HB2 TYR 25 HB2 TYR 25 31.945 5.778 3.925 163 HB3 TYR 25 HB1 TYR 25 30.734 6.077 5.173 164 HD1 TYR 25 HD1 TYR 25 34.045 7.021 3.881 165 HD2 TYR 25 HD2 TYR 25 31.125 7.716 6.953 166 HE1 TYR 25 HE1 TYR 25 35.226 9.100 4.533 167 HE2 TYR 25 HE2 TYR 25 32.305 9.797 7.603 168 HH TYR 25 HH TYR 25 34.565 11.301 5.695 169 H PHE 26 HN PHE 26 33.724 4.151 3.764 170 HA PHE 26 HA PHE 26 36.299 4.555 5.164 171 HB2 PHE 26 HB2 PHE 26 35.605 2.613 2.945 172 HB3 PHE 26 HB1 PHE 26 37.224 2.862 3.599 173 HD1 PHE 26 HD1 PHE 26 33.885 1.474 4.235 174 HD2 PHE 26 HD2 PHE 26 37.783 2.179 5.894 175 HE1 PHE 26 HE1 PHE 26 33.386 -0.111 6.077 176 HE2 PHE 26 HE2 PHE 26 37.286 0.595 7.735 177 HZ PHE 26 HZ PHE 26 35.087 -0.550 7.828 178 H ASN 27 HN ASN 27 37.778 5.871 4.245 179 HA ASN 27 HA ASN 27 36.949 7.365 1.870 180 HB2 ASN 27 HB2 ASN 27 37.738 8.592 3.870 181 HB3 ASN 27 HB1 ASN 27 39.304 7.794 3.724 182 HD21 ASN 27 HD21 ASN 27 40.800 9.135 2.724 183 HD22 ASN 27 HD22 ASN 27 40.446 10.238 1.482 184 H LYS 28 HN LYS 28 37.471 6.432 -0.011 185 HA LYS 28 HA LYS 28 38.672 5.330 -1.637 186 HB2 LYS 28 HB2 LYS 28 40.946 6.775 -0.255 187 HB3 LYS 28 HB1 LYS 28 41.006 6.079 -1.875 188 HG2 LYS 28 HG2 LYS 28 39.173 7.567 -2.589 189 HG3 LYS 28 HG1 LYS 28 39.106 8.264 -0.970 190 HD2 LYS 28 HD2 LYS 28 41.448 9.025 -1.206 191 HD3 LYS 28 HD1 LYS 28 41.502 8.341 -2.830 192 HE2 LYS 28 HE2 LYS 28 39.654 9.837 -3.516 193 HE3 LYS 28 HE1 LYS 28 39.621 10.529 -1.896 194 HZ1 LYS 28 HZ1 LYS 28 41.986 11.141 -2.228 195 HZ2 LYS 28 HZ2 LYS 28 40.919 11.939 -3.281 196 HZ3 LYS 28 HZ3 LYS 28 41.855 10.639 -3.843 197 HA PRO 29 HA PRO 29 40.113 2.128 1.485 198 HB2 PRO 29 HB2 PRO 29 38.265 0.224 0.796 199 HB3 PRO 29 HB1 PRO 29 37.997 1.438 2.060 200 HG2 PRO 29 HG2 PRO 29 37.029 1.388 -0.753 201 HG3 PRO 29 HG1 PRO 29 36.197 1.913 0.721 202 HD2 PRO 29 HD2 PRO 29 37.303 3.667 -1.057 203 HD3 PRO 29 HD1 PRO 29 37.159 4.018 0.679 204 H THR 30 HN THR 30 39.340 2.157 -1.914 205 HA THR 30 HA THR 30 41.510 0.221 -2.397 206 HB THR 30 HB THR 30 40.216 -0.839 -4.170 207 HG1 THR 30 HG1 THR 30 38.889 0.729 -4.883 208 HG21 THR 30 HG21 THR 30 38.612 -0.644 -1.606 209 HG22 THR 30 HG22 THR 30 40.003 -1.701 -1.853 210 HG23 THR 30 HG23 THR 30 38.529 -1.953 -2.788 211 H GLY 31 HN GLY 31 42.391 0.360 -4.615 212 HA2 GLY 31 HA2 GLY 31 41.786 2.373 -6.452 213 HA3 GLY 31 HA1 GLY 31 42.979 3.031 -5.334 214 H TYR 32 HN TYR 32 42.911 1.979 -8.276 215 HA TYR 32 HA TYR 32 44.686 -0.206 -8.432 216 HB2 TYR 32 HB2 TYR 32 44.905 0.337 -10.756 217 HB3 TYR 32 HB1 TYR 32 43.243 0.716 -10.301 218 HD1 TYR 32 HD1 TYR 32 46.490 2.086 -11.303 219 HD2 TYR 32 HD2 TYR 32 42.522 3.057 -9.977 220 HE1 TYR 32 HE1 TYR 32 46.829 4.438 -12.015 221 HE2 TYR 32 HE2 TYR 32 42.861 5.409 -10.688 222 HH TYR 32 HH TYR 32 45.794 6.740 -11.295 223 H GLY 33 HN GLY 33 45.179 3.174 -7.839 224 HA2 GLY 33 HA2 GLY 33 47.869 3.444 -8.629 225 HA3 GLY 33 HA1 GLY 33 47.063 4.418 -7.401 226 H SER 34 HN SER 34 46.397 2.303 -5.617 227 HA SER 34 HA SER 34 49.051 1.843 -4.449 228 HB2 SER 34 HB2 SER 34 47.864 1.405 -2.381 229 HB3 SER 34 HB1 SER 34 47.260 2.905 -3.078 230 HG SER 34 HG SER 34 45.392 1.951 -2.930 231 H SER 35 HN SER 35 46.659 0.200 -6.215 232 HA SER 35 HA SER 35 46.915 -2.401 -5.107 233 HB2 SER 35 HB2 SER 35 45.638 -3.130 -6.934 234 HB3 SER 35 HB1 SER 35 45.098 -1.468 -6.683 235 HG SER 35 HG SER 35 46.585 -2.595 -8.739 236 H SER 36 HN SER 36 49.100 -0.492 -6.801 237 HA SER 36 HA SER 36 50.349 -2.318 -8.514 238 HB2 SER 36 HB2 SER 36 52.278 -0.810 -8.408 239 HB3 SER 36 HB1 SER 36 50.785 0.113 -8.545 240 HG SER 36 HG SER 36 52.620 0.037 -6.537 241 H ARG 37 HN ARG 37 50.867 -1.617 -5.103 242 HA ARG 37 HA ARG 37 52.144 -4.216 -4.753 243 HB2 ARG 37 HB2 ARG 37 53.560 -1.592 -4.272 244 HB3 ARG 37 HB1 ARG 37 54.056 -3.093 -3.489 245 HG2 ARG 37 HG2 ARG 37 54.299 -4.157 -5.719 246 HG3 ARG 37 HG1 ARG 37 53.868 -2.625 -6.478 247 HD2 ARG 37 HD2 ARG 37 56.181 -2.907 -4.558 248 HD3 ARG 37 HD1 ARG 37 56.358 -3.079 -6.301 249 HE ARG 37 HE ARG 37 55.057 -0.663 -5.912 250 HH11 ARG 37 HH11 ARG 37 58.035 -2.162 -4.959 251 HH12 ARG 37 HH12 ARG 37 58.912 -0.676 -4.881 252 HH21 ARG 37 HH21 ARG 37 56.211 1.290 -5.808 253 HH22 ARG 37 HH22 ARG 37 57.884 1.278 -5.361 254 H ARG 38 HN ARG 38 49.850 -2.241 -3.816 255 HA ARG 38 HA ARG 38 50.015 -3.086 -1.006 256 HB2 ARG 38 HB2 ARG 38 49.304 -0.317 -1.992 257 HB3 ARG 38 HB1 ARG 38 49.029 -0.880 -0.348 258 HG2 ARG 38 HG2 ARG 38 51.412 -1.272 -0.038 259 HG3 ARG 38 HG1 ARG 38 51.732 -0.865 -1.725 260 HD2 ARG 38 HD2 ARG 38 52.250 1.076 -0.383 261 HD3 ARG 38 HD1 ARG 38 50.775 1.415 -1.282 262 HE ARG 38 HE ARG 38 50.102 0.324 1.242 263 HH11 ARG 38 HH11 ARG 38 51.438 3.158 -0.245 264 HH12 ARG 38 HH12 ARG 38 50.880 4.229 0.988 265 HH21 ARG 38 HH21 ARG 38 49.371 1.736 2.863 266 HH22 ARG 38 HH22 ARG 38 49.712 3.430 2.748 267 H ALA 39 HN ALA 39 48.063 -3.626 -0.068 268 HA ALA 39 HA ALA 39 45.639 -3.329 -1.708 269 HB1 ALA 39 HB1 ALA 39 46.986 -5.704 -1.644 270 HB2 ALA 39 HB2 ALA 39 45.252 -5.554 -1.915 271 HB3 ALA 39 HB3 ALA 39 45.863 -5.913 -0.300 272 HA PRO 40 HA PRO 40 43.713 -2.415 2.142 273 HB2 PRO 40 HB2 PRO 40 41.179 -3.352 1.753 274 HB3 PRO 40 HB1 PRO 40 41.813 -1.911 0.938 275 HG2 PRO 40 HG2 PRO 40 41.440 -4.664 -0.103 276 HG3 PRO 40 HG1 PRO 40 41.255 -3.107 -0.924 277 HD2 PRO 40 HD2 PRO 40 43.465 -4.761 -1.188 278 HD3 PRO 40 HD1 PRO 40 43.471 -3.016 -1.518 279 H GLN 41 HN GLN 41 45.247 -4.274 2.959 280 HA GLN 41 HA GLN 41 43.701 -6.591 3.898 281 HB2 GLN 41 HB2 GLN 41 46.666 -6.011 3.826 282 HB3 GLN 41 HB1 GLN 41 45.975 -7.429 4.617 283 HG2 GLN 41 HG2 GLN 41 45.025 -8.209 2.539 284 HG3 GLN 41 HG1 GLN 41 45.473 -6.716 1.716 285 HE21 GLN 41 HE21 GLN 41 46.355 -9.494 1.047 286 HE22 GLN 41 HE22 GLN 41 48.050 -9.475 1.156 287 H THR 42 HN THR 42 43.908 -3.626 4.930 288 HA THR 42 HA THR 42 43.864 -4.394 7.752 289 HB THR 42 HB THR 42 46.185 -3.653 7.304 290 HG1 THR 42 HG1 THR 42 45.558 -3.167 9.314 291 HG21 THR 42 HG21 THR 42 45.436 -2.090 5.418 292 HG22 THR 42 HG22 THR 42 46.675 -1.466 6.507 293 HG23 THR 42 HG23 THR 42 44.999 -0.945 6.687 294 H GLY 43 HN GLY 43 42.678 -2.952 9.073 295 HA2 GLY 43 HA2 GLY 43 41.683 -0.465 8.490 296 HA3 GLY 43 HA1 GLY 43 40.556 -1.581 7.723 297 H ILE 44 HN ILE 44 39.144 -0.413 9.371 298 HA ILE 44 HA ILE 44 39.388 -0.941 12.141 299 HB ILE 44 HB ILE 44 37.094 -0.184 12.310 300 HG12 ILE 44 HG12 ILE 44 37.027 -0.522 9.294 301 HG13 ILE 44 HG11 ILE 44 36.158 -1.518 10.458 302 HG21 ILE 44 HG21 ILE 44 38.464 1.310 10.055 303 HG22 ILE 44 HG22 ILE 44 38.899 1.474 11.757 304 HG23 ILE 44 HG23 ILE 44 37.302 1.969 11.203 305 HD11 ILE 44 HD11 ILE 44 35.744 1.423 9.906 306 HD12 ILE 44 HD12 ILE 44 35.033 0.587 11.286 307 HD13 ILE 44 HD13 ILE 44 34.597 0.110 9.644 308 H VAL 45 HN VAL 45 37.981 -2.735 9.475 309 HA VAL 45 HA VAL 45 36.494 -4.595 11.021 310 HB VAL 45 HB VAL 45 37.634 -4.702 8.227 311 HG11 VAL 45 HG11 VAL 45 36.094 -6.704 7.981 312 HG12 VAL 45 HG12 VAL 45 35.968 -6.729 9.736 313 HG13 VAL 45 HG13 VAL 45 37.532 -6.995 8.963 314 HG21 VAL 45 HG21 VAL 45 35.737 -3.133 8.760 315 HG22 VAL 45 HG22 VAL 45 34.783 -4.532 9.249 316 HG23 VAL 45 HG23 VAL 45 35.317 -4.371 7.577 317 H ASP 46 HN ASP 46 39.760 -4.704 9.626 318 HA ASP 46 HA ASP 46 40.379 -7.320 10.502 319 HB2 ASP 46 HB2 ASP 46 42.109 -4.961 9.755 320 HB3 ASP 46 HB1 ASP 46 42.777 -6.535 10.187 321 H GLU 47 HN GLU 47 40.731 -4.143 11.996 322 HA GLU 47 HA GLU 47 42.399 -4.881 14.135 323 HB2 GLU 47 HB2 GLU 47 41.919 -2.538 13.543 324 HB3 GLU 47 HB1 GLU 47 40.246 -2.749 14.055 325 HG2 GLU 47 HG2 GLU 47 40.919 -3.162 16.335 326 HG3 GLU 47 HG1 GLU 47 42.620 -3.207 15.876 327 H CYS 48 HN CYS 48 38.839 -4.605 14.028 328 HA CYS 48 HA CYS 48 38.472 -5.657 16.665 329 HB2 CYS 48 HB2 CYS 48 36.559 -5.315 14.349 330 HB3 CYS 48 HB1 CYS 48 36.083 -5.833 15.956 331 H CYS 49 HN CYS 49 38.309 -7.036 13.404 332 HA CYS 49 HA CYS 49 37.313 -9.564 14.108 333 HB2 CYS 49 HB2 CYS 49 37.403 -8.784 11.785 334 HB3 CYS 49 HB1 CYS 49 39.167 -8.811 11.836 335 H PHE 50 HN PHE 50 40.665 -8.443 13.716 336 HA PHE 50 HA PHE 50 41.697 -10.976 14.678 337 HB2 PHE 50 HB2 PHE 50 42.991 -8.426 13.722 338 HB3 PHE 50 HB1 PHE 50 43.931 -9.750 14.425 339 HD1 PHE 50 HD1 PHE 50 41.556 -8.855 11.695 340 HD2 PHE 50 HD2 PHE 50 44.407 -11.711 13.161 341 HE1 PHE 50 HE1 PHE 50 41.490 -10.023 9.514 342 HE2 PHE 50 HE2 PHE 50 44.347 -12.888 10.978 343 HZ PHE 50 HZ PHE 50 42.892 -12.047 9.155 344 H ARG 51 HN ARG 51 42.384 -7.600 15.625 345 HA ARG 51 HA ARG 51 43.092 -8.409 18.307 346 HB2 ARG 51 HB2 ARG 51 42.807 -5.679 17.031 347 HB3 ARG 51 HB1 ARG 51 43.391 -5.958 18.668 348 HG2 ARG 51 HG2 ARG 51 45.251 -7.289 17.818 349 HG3 ARG 51 HG1 ARG 51 44.638 -7.142 16.171 350 HD2 ARG 51 HD2 ARG 51 46.424 -5.520 16.504 351 HD3 ARG 51 HD1 ARG 51 44.890 -4.671 16.333 352 HE ARG 51 HE ARG 51 45.465 -5.202 19.080 353 HH11 ARG 51 HH11 ARG 51 46.288 -3.190 16.378 354 HH12 ARG 51 HH12 ARG 51 46.771 -1.850 17.354 355 HH21 ARG 51 HH21 ARG 51 46.101 -3.439 20.361 356 HH22 ARG 51 HH22 ARG 51 46.667 -1.986 19.607 357 H SER 52 HN SER 52 42.088 -7.375 20.219 358 HA SER 52 HA SER 52 39.171 -7.489 19.996 359 HB2 SER 52 HB2 SER 52 41.014 -7.399 22.393 360 HB3 SER 52 HB1 SER 52 39.256 -7.478 22.490 361 HG SER 52 HG SER 52 39.309 -9.507 21.872 362 H CYS 53 HN CYS 53 38.778 -5.480 18.978 363 HA CYS 53 HA CYS 53 39.712 -3.012 20.127 364 HB2 CYS 53 HB2 CYS 53 38.376 -1.937 18.441 365 HB3 CYS 53 HB1 CYS 53 39.149 -3.334 17.696 366 H ASP 54 HN ASP 54 38.382 -1.388 21.095 367 HA ASP 54 HA ASP 54 36.175 -2.543 22.672 368 HB2 ASP 54 HB2 ASP 54 38.014 -0.200 23.163 369 HB3 ASP 54 HB1 ASP 54 36.575 -0.506 24.134 370 H LEU 55 HN LEU 55 34.489 -0.845 23.322 371 HA LEU 55 HA LEU 55 33.049 -0.033 21.089 372 HB2 LEU 55 HB2 LEU 55 32.955 0.558 23.997 373 HB3 LEU 55 HB1 LEU 55 32.105 1.686 22.940 374 HG LEU 55 HG LEU 55 30.722 -0.286 23.765 375 HD11 LEU 55 HD11 LEU 55 31.016 -0.254 20.756 376 HD12 LEU 55 HD12 LEU 55 30.340 1.117 21.632 377 HD13 LEU 55 HD13 LEU 55 29.548 -0.458 21.708 378 HD21 LEU 55 HD21 LEU 55 31.136 -2.456 22.890 379 HD22 LEU 55 HD22 LEU 55 32.721 -1.881 23.404 380 HD23 LEU 55 HD23 LEU 55 32.281 -1.850 21.697 381 H ARG 56 HN ARG 56 35.470 1.709 22.952 382 HA ARG 56 HA ARG 56 35.063 4.286 21.924 383 HB2 ARG 56 HB2 ARG 56 36.542 3.838 23.827 384 HB3 ARG 56 HB1 ARG 56 37.655 2.967 22.769 385 HG2 ARG 56 HG2 ARG 56 38.108 4.977 21.492 386 HG3 ARG 56 HG1 ARG 56 36.872 5.869 22.378 387 HD2 ARG 56 HD2 ARG 56 38.141 5.608 24.458 388 HD3 ARG 56 HD1 ARG 56 39.352 4.646 23.622 389 HE ARG 56 HE ARG 56 40.242 6.612 22.747 390 HH11 ARG 56 HH11 ARG 56 37.098 7.153 24.111 391 HH12 ARG 56 HH12 ARG 56 37.193 8.869 23.982 392 HH21 ARG 56 HH21 ARG 56 40.361 8.874 22.577 393 HH22 ARG 56 HH22 ARG 56 39.034 9.848 23.115 394 H ARG 57 HN ARG 57 37.039 1.594 20.697 395 HA ARG 57 HA ARG 57 38.211 2.969 18.540 396 HB2 ARG 57 HB2 ARG 57 38.000 0.225 19.474 397 HB3 ARG 57 HB1 ARG 57 37.921 0.329 17.725 398 HG2 ARG 57 HG2 ARG 57 40.238 0.201 18.164 399 HG3 ARG 57 HG1 ARG 57 39.951 1.925 17.926 400 HD2 ARG 57 HD2 ARG 57 41.284 1.719 19.909 401 HD3 ARG 57 HD1 ARG 57 39.652 2.120 20.431 402 HE ARG 57 HE ARG 57 39.991 -0.703 20.356 403 HH11 ARG 57 HH11 ARG 57 40.872 2.151 22.118 404 HH12 ARG 57 HH12 ARG 57 41.055 1.325 23.624 405 HH21 ARG 57 HH21 ARG 57 40.233 -1.788 22.337 406 HH22 ARG 57 HH22 ARG 57 40.695 -0.903 23.752 407 H LEU 58 HN LEU 58 35.218 1.071 18.794 408 HA LEU 58 HA LEU 58 34.476 1.179 16.082 409 HB2 LEU 58 HB2 LEU 58 32.965 0.809 18.643 410 HB3 LEU 58 HB1 LEU 58 32.106 0.953 17.113 411 HG LEU 58 HG LEU 58 34.071 -0.818 16.460 412 HD11 LEU 58 HD11 LEU 58 33.341 -1.199 19.362 413 HD12 LEU 58 HD12 LEU 58 34.950 -1.142 18.643 414 HD13 LEU 58 HD13 LEU 58 33.909 -2.537 18.365 415 HD21 LEU 58 HD21 LEU 58 32.319 -2.412 16.312 416 HD22 LEU 58 HD22 LEU 58 31.493 -0.860 16.185 417 HD23 LEU 58 HD23 LEU 58 31.480 -1.740 17.710 418 H ASP 59 HN ASP 59 33.816 3.353 18.777 419 HA ASP 59 HA ASP 59 32.073 5.122 17.428 420 HB2 ASP 59 HB2 ASP 59 33.948 5.551 19.760 421 HB3 ASP 59 HB1 ASP 59 32.821 6.778 19.182 422 H MET 60 HN MET 60 35.593 4.983 17.659 423 HA MET 60 HA MET 60 36.155 7.486 16.481 424 HB2 MET 60 HB2 MET 60 37.737 4.916 16.612 425 HB3 MET 60 HB1 MET 60 38.381 6.410 15.931 426 HG2 MET 60 HG2 MET 60 38.071 7.570 18.041 427 HG3 MET 60 HG1 MET 60 37.249 6.176 18.731 428 HE1 MET 60 HE1 MET 60 40.465 6.409 16.402 429 HE2 MET 60 HE2 MET 60 41.683 6.608 17.660 430 HE3 MET 60 HE3 MET 60 40.399 7.803 17.490 431 H TYR 61 HN TYR 61 35.571 4.290 15.106 432 HA TYR 61 HA TYR 61 36.231 5.036 12.406 433 HB2 TYR 61 HB2 TYR 61 34.431 2.750 13.209 434 HB3 TYR 61 HB1 TYR 61 35.478 2.875 11.807 435 HD1 TYR 61 HD1 TYR 61 35.332 0.827 14.306 436 HD2 TYR 61 HD2 TYR 61 37.939 4.019 13.098 437 HE1 TYR 61 HE1 TYR 61 37.190 -0.214 15.575 438 HE2 TYR 61 HE2 TYR 61 39.799 2.982 14.367 439 HH TYR 61 HH TYR 61 40.468 0.922 15.289 440 H CYS 62 HN CYS 62 33.408 5.277 14.408 441 HA CYS 62 HA CYS 62 31.427 5.450 12.409 442 HB2 CYS 62 HB2 CYS 62 31.546 6.762 15.134 443 HB3 CYS 62 HB1 CYS 62 30.103 6.645 14.131 444 H ALA 63 HN ALA 63 30.333 7.356 11.611 445 HA ALA 63 HA ALA 63 32.063 9.261 10.519 446 HB1 ALA 63 HB1 ALA 63 30.039 8.821 9.357 447 HB2 ALA 63 HB2 ALA 63 29.897 10.476 9.946 448 HB3 ALA 63 HB3 ALA 63 29.061 9.167 10.783 449 HA PRO 64 HA PRO 64 32.370 12.231 13.766 450 HB2 PRO 64 HB2 PRO 64 32.904 14.478 12.311 451 HB3 PRO 64 HB1 PRO 64 34.085 13.175 12.553 452 HG2 PRO 64 HG2 PRO 64 32.385 13.778 10.190 453 HG3 PRO 64 HG1 PRO 64 34.048 13.175 10.266 454 HD2 PRO 64 HD2 PRO 64 31.856 11.569 9.768 455 HD3 PRO 64 HD1 PRO 64 33.380 10.974 10.459 456 H LEU 65 HN LEU 65 31.312 14.053 14.733 457 HA LEU 65 HA LEU 65 28.880 15.020 13.383 458 HB2 LEU 65 HB2 LEU 65 27.694 14.753 15.632 459 HB3 LEU 65 HB1 LEU 65 27.988 13.275 14.717 460 HG LEU 65 HG LEU 65 30.214 14.010 16.483 461 HD11 LEU 65 HD11 LEU 65 29.130 13.518 18.571 462 HD12 LEU 65 HD12 LEU 65 27.622 13.101 17.757 463 HD13 LEU 65 HD13 LEU 65 28.176 14.777 17.787 464 HD21 LEU 65 HD21 LEU 65 30.211 11.654 16.915 465 HD22 LEU 65 HD22 LEU 65 29.798 11.832 15.210 466 HD23 LEU 65 HD23 LEU 65 28.534 11.493 16.395 467 H LYS 66 HN LYS 66 31.390 16.317 13.805 468 HA LYS 66 HA LYS 66 31.271 18.007 16.092 469 HB2 LYS 66 HB2 LYS 66 32.823 18.255 13.511 470 HB3 LYS 66 HB1 LYS 66 33.051 19.302 14.908 471 HG2 LYS 66 HG2 LYS 66 33.623 17.357 16.299 472 HG3 LYS 66 HG1 LYS 66 33.369 16.288 14.919 473 HD2 LYS 66 HD2 LYS 66 35.167 17.449 13.687 474 HD3 LYS 66 HD1 LYS 66 35.429 18.510 15.072 475 HE2 LYS 66 HE2 LYS 66 35.704 15.489 15.114 476 HE3 LYS 66 HE1 LYS 66 37.048 16.629 15.039 477 HZ1 LYS 66 HZ1 LYS 66 36.752 16.026 17.295 478 HZ2 LYS 66 HZ2 LYS 66 35.079 16.306 17.231 479 HZ3 LYS 66 HZ3 LYS 66 36.165 17.609 17.136 480 HA PRO 67 HA PRO 67 28.530 21.235 14.966 481 HB2 PRO 67 HB2 PRO 67 30.734 23.190 15.425 482 HB3 PRO 67 HB1 PRO 67 29.129 23.100 16.175 483 HG2 PRO 67 HG2 PRO 67 31.298 22.391 17.519 484 HG3 PRO 67 HG1 PRO 67 29.778 21.494 17.694 485 HD2 PRO 67 HD2 PRO 67 32.245 20.732 16.159 486 HD3 PRO 67 HD1 PRO 67 31.136 19.707 17.097 487 H ALA 68 HN ALA 68 27.896 22.302 13.133 488 HA ALA 68 HA ALA 68 29.450 22.059 10.768 489 HB1 ALA 68 HB1 ALA 68 26.946 22.105 10.850 490 HB2 ALA 68 HB2 ALA 68 27.635 23.220 9.671 491 HB3 ALA 68 HB3 ALA 68 27.035 23.828 11.214 492 H LYS 69 HN LYS 69 30.631 23.541 9.626 493 HA LYS 69 HA LYS 69 30.753 26.316 10.476 494 HB2 LYS 69 HB2 LYS 69 33.153 26.300 10.922 495 HB3 LYS 69 HB1 LYS 69 32.331 25.189 12.018 496 HG2 LYS 69 HG2 LYS 69 32.907 23.303 10.513 497 HG3 LYS 69 HG1 LYS 69 33.773 24.425 9.462 498 HD2 LYS 69 HD2 LYS 69 35.276 25.017 11.329 499 HD3 LYS 69 HD1 LYS 69 34.416 23.888 12.377 500 HE2 LYS 69 HE2 LYS 69 35.023 22.028 10.865 501 HE3 LYS 69 HE1 LYS 69 35.899 23.158 9.834 502 HZ1 LYS 69 HZ1 LYS 69 37.396 23.648 11.606 503 HZ2 LYS 69 HZ2 LYS 69 37.322 21.958 11.441 504 HZ3 LYS 69 HZ3 LYS 69 36.493 22.728 12.708 505 H SER 70 HN SER 70 32.145 27.611 9.037 506 HA SER 70 HA SER 70 31.681 26.998 6.320 507 HB2 SER 70 HB2 SER 70 33.514 29.021 7.616 508 HB3 SER 70 HB1 SER 70 33.201 28.948 5.884 509 HG SER 70 HG SER 70 31.554 30.159 6.396 510 H ALA 71 HN ALA 71 34.567 26.736 8.356 511 HA ALA 71 HA ALA 71 35.650 24.621 6.771 512 HB1 ALA 71 HB1 ALA 71 37.387 27.059 6.694 513 HB2 ALA 71 HB2 ALA 71 36.111 26.877 5.490 514 HB3 ALA 71 HB3 ALA 71 37.376 25.656 5.624 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 33.039 -17.248 25.025 2 H2 GLY 1 HT2 GLY 1 33.686 -15.694 25.246 3 H3 GLY 1 HT3 GLY 1 32.382 -15.931 24.183 4 HA2 GLY 1 HA2 GLY 1 31.975 -16.771 26.942 5 HA3 GLY 1 HA1 GLY 1 32.059 -15.033 26.643 6 H GLY 2 HN GLY 2 30.385 -18.014 25.756 7 HA2 GLY 2 HA2 GLY 2 28.134 -18.331 25.285 8 HA3 GLY 2 HA1 GLY 2 27.886 -16.596 25.462 9 HA PRO 3 HA PRO 3 27.679 -17.638 20.941 10 HB2 PRO 3 HB2 PRO 3 25.244 -16.508 20.474 11 HB3 PRO 3 HB1 PRO 3 25.433 -18.172 21.058 12 HG2 PRO 3 HG2 PRO 3 24.709 -15.710 22.559 13 HG3 PRO 3 HG1 PRO 3 24.110 -17.366 22.744 14 HD2 PRO 3 HD2 PRO 3 26.007 -16.221 24.392 15 HD3 PRO 3 HD1 PRO 3 25.833 -17.972 24.138 16 H GLU 4 HN GLU 4 29.444 -15.865 21.382 17 HA GLU 4 HA GLU 4 28.515 -13.366 20.125 18 HB2 GLU 4 HB2 GLU 4 30.453 -13.677 22.429 19 HB3 GLU 4 HB1 GLU 4 30.245 -12.183 21.514 20 HG2 GLU 4 HG2 GLU 4 27.872 -12.109 22.125 21 HG3 GLU 4 HG1 GLU 4 28.031 -13.637 22.989 22 H THR 5 HN THR 5 29.454 -13.146 18.226 23 HA THR 5 HA THR 5 32.268 -13.986 17.904 24 HB THR 5 HB THR 5 31.772 -14.815 15.663 25 HG1 THR 5 HG1 THR 5 29.995 -14.229 14.754 26 HG21 THR 5 HG21 THR 5 29.798 -15.986 17.634 27 HG22 THR 5 HG22 THR 5 31.531 -16.306 17.682 28 HG23 THR 5 HG23 THR 5 30.580 -16.815 16.287 29 H LEU 6 HN LEU 6 33.347 -12.925 16.064 30 HA LEU 6 HA LEU 6 32.201 -10.271 15.450 31 HB2 LEU 6 HB2 LEU 6 35.084 -10.890 16.126 32 HB3 LEU 6 HB1 LEU 6 34.453 -9.314 15.647 33 HG LEU 6 HG LEU 6 33.497 -10.872 18.067 34 HD11 LEU 6 HD11 LEU 6 34.711 -9.016 19.308 35 HD12 LEU 6 HD12 LEU 6 35.471 -8.591 17.774 36 HD13 LEU 6 HD13 LEU 6 35.760 -10.176 18.493 37 HD21 LEU 6 HD21 LEU 6 32.553 -8.564 18.633 38 HD22 LEU 6 HD22 LEU 6 31.768 -9.392 17.288 39 HD23 LEU 6 HD23 LEU 6 32.927 -8.099 16.974 40 H CYS 7 HN CYS 7 33.637 -9.230 13.638 41 HA CYS 7 HA CYS 7 34.423 -9.268 11.485 42 HB2 CYS 7 HB2 CYS 7 35.746 -11.310 12.583 43 HB3 CYS 7 HB1 CYS 7 34.743 -12.214 11.453 44 H GLY 8 HN GLY 8 33.813 -10.094 9.306 45 HA2 GLY 8 HA2 GLY 8 32.205 -10.605 7.745 46 HA3 GLY 8 HA1 GLY 8 31.686 -11.868 8.857 47 H ALA 9 HN ALA 9 29.558 -11.709 9.100 48 HA ALA 9 HA ALA 9 28.008 -9.403 8.721 49 HB1 ALA 9 HB1 ALA 9 26.959 -11.565 8.607 50 HB2 ALA 9 HB2 ALA 9 26.228 -10.691 9.953 51 HB3 ALA 9 HB3 ALA 9 27.433 -11.942 10.264 52 H GLU 10 HN GLU 10 29.539 -10.749 11.597 53 HA GLU 10 HA GLU 10 28.252 -9.133 13.523 54 HB2 GLU 10 HB2 GLU 10 30.994 -10.413 13.512 55 HB3 GLU 10 HB1 GLU 10 30.268 -9.637 14.920 56 HG2 GLU 10 HG2 GLU 10 28.936 -11.882 13.386 57 HG3 GLU 10 HG1 GLU 10 29.938 -12.144 14.812 58 H LEU 11 HN LEU 11 31.065 -8.604 11.458 59 HA LEU 11 HA LEU 11 31.978 -6.239 12.717 60 HB2 LEU 11 HB2 LEU 11 32.991 -7.802 10.785 61 HB3 LEU 11 HB1 LEU 11 32.299 -6.541 9.770 62 HG LEU 11 HG LEU 11 34.577 -5.910 10.269 63 HD11 LEU 11 HD11 LEU 11 32.855 -4.303 12.164 64 HD12 LEU 11 HD12 LEU 11 32.701 -4.180 10.412 65 HD13 LEU 11 HD13 LEU 11 34.220 -3.739 11.196 66 HD21 LEU 11 HD21 LEU 11 34.565 -7.388 12.425 67 HD22 LEU 11 HD22 LEU 11 33.971 -5.932 13.227 68 HD23 LEU 11 HD23 LEU 11 35.538 -5.917 12.419 69 H VAL 12 HN VAL 12 29.905 -6.727 9.863 70 HA VAL 12 HA VAL 12 29.429 -3.994 9.397 71 HB VAL 12 HB VAL 12 27.937 -6.502 8.665 72 HG11 VAL 12 HG11 VAL 12 26.180 -4.847 8.838 73 HG12 VAL 12 HG12 VAL 12 26.609 -4.935 7.129 74 HG13 VAL 12 HG13 VAL 12 27.204 -3.603 8.118 75 HG21 VAL 12 HG21 VAL 12 30.069 -5.983 7.532 76 HG22 VAL 12 HG22 VAL 12 29.441 -4.397 7.082 77 HG23 VAL 12 HG23 VAL 12 28.708 -5.858 6.417 78 H ASP 13 HN ASP 13 27.590 -6.399 11.240 79 HA ASP 13 HA ASP 13 25.455 -4.697 11.971 80 HB2 ASP 13 HB2 ASP 13 25.443 -7.201 12.108 81 HB3 ASP 13 HB1 ASP 13 26.495 -7.076 13.516 82 H ALA 14 HN ALA 14 28.509 -5.512 13.592 83 HA ALA 14 HA ALA 14 28.025 -4.166 16.002 84 HB1 ALA 14 HB1 ALA 14 29.883 -5.745 15.682 85 HB2 ALA 14 HB2 ALA 14 30.459 -4.192 16.286 86 HB3 ALA 14 HB3 ALA 14 30.661 -4.606 14.583 87 H LEU 15 HN LEU 15 29.487 -3.036 12.964 88 HA LEU 15 HA LEU 15 30.187 -0.455 13.871 89 HB2 LEU 15 HB2 LEU 15 29.559 -1.545 11.126 90 HB3 LEU 15 HB1 LEU 15 30.100 0.110 11.399 91 HG LEU 15 HG LEU 15 31.632 -2.281 12.437 92 HD11 LEU 15 HD11 LEU 15 31.523 -2.475 10.003 93 HD12 LEU 15 HD12 LEU 15 33.131 -1.930 10.478 94 HD13 LEU 15 HD13 LEU 15 31.968 -0.777 9.823 95 HD21 LEU 15 HD21 LEU 15 33.484 -0.523 12.337 96 HD22 LEU 15 HD22 LEU 15 32.229 -0.231 13.540 97 HD23 LEU 15 HD23 LEU 15 32.218 0.664 12.020 98 H GLN 16 HN GLN 16 27.245 -1.713 12.336 99 HA GLN 16 HA GLN 16 25.911 0.782 12.133 100 HB2 GLN 16 HB2 GLN 16 25.250 -1.245 10.867 101 HB3 GLN 16 HB1 GLN 16 24.705 -1.979 12.375 102 HG2 GLN 16 HG2 GLN 16 23.078 -0.189 12.703 103 HG3 GLN 16 HG1 GLN 16 23.667 0.640 11.262 104 HE21 GLN 16 HE21 GLN 16 21.006 0.053 11.168 105 HE22 GLN 16 HE22 GLN 16 20.703 -1.281 10.165 106 H PHE 17 HN PHE 17 25.954 -1.736 14.621 107 HA PHE 17 HA PHE 17 23.975 -0.610 16.296 108 HB2 PHE 17 HB2 PHE 17 24.579 -2.859 16.700 109 HB3 PHE 17 HB1 PHE 17 26.293 -2.465 16.818 110 HD1 PHE 17 HD1 PHE 17 22.997 -2.156 18.511 111 HD2 PHE 17 HD2 PHE 17 27.254 -1.598 18.838 112 HE1 PHE 17 HE1 PHE 17 22.761 -1.787 20.955 113 HE2 PHE 17 HE2 PHE 17 27.011 -1.236 21.283 114 HZ PHE 17 HZ PHE 17 24.766 -1.330 22.339 115 H VAL 18 HN VAL 18 27.529 -0.379 16.431 116 HA VAL 18 HA VAL 18 27.611 1.351 18.661 117 HB VAL 18 HB VAL 18 29.599 0.872 16.430 118 HG11 VAL 18 HG11 VAL 18 31.212 1.852 18.160 119 HG12 VAL 18 HG12 VAL 18 29.784 2.479 18.984 120 HG13 VAL 18 HG13 VAL 18 30.157 3.004 17.341 121 HG21 VAL 18 HG21 VAL 18 29.119 -1.087 17.835 122 HG22 VAL 18 HG22 VAL 18 29.403 -0.128 19.290 123 HG23 VAL 18 HG23 VAL 18 30.735 -0.470 18.185 124 H CYS 19 HN CYS 19 27.875 2.036 15.176 125 HA CYS 19 HA CYS 19 28.061 4.860 15.475 126 HB2 CYS 19 HB2 CYS 19 27.190 3.166 13.118 127 HB3 CYS 19 HB1 CYS 19 27.509 4.892 13.050 128 H GLY 20 HN GLY 20 25.363 2.658 14.954 129 HA2 GLY 20 HA2 GLY 20 23.092 2.942 15.169 130 HA3 GLY 20 HA1 GLY 20 23.466 4.310 16.213 131 H ASP 21 HN ASP 21 22.407 6.050 15.533 132 HA ASP 21 HA ASP 21 21.329 6.438 12.976 133 HB2 ASP 21 HB2 ASP 21 22.011 8.386 15.183 134 HB3 ASP 21 HB1 ASP 21 21.190 8.869 13.700 135 H ARG 22 HN ARG 22 24.452 7.322 14.333 136 HA ARG 22 HA ARG 22 25.305 9.097 12.325 137 HB2 ARG 22 HB2 ARG 22 26.850 7.226 14.129 138 HB3 ARG 22 HB1 ARG 22 27.621 8.398 13.062 139 HG2 ARG 22 HG2 ARG 22 26.190 10.178 14.165 140 HG3 ARG 22 HG1 ARG 22 25.731 8.960 15.355 141 HD2 ARG 22 HD2 ARG 22 28.587 9.754 14.735 142 HD3 ARG 22 HD1 ARG 22 27.657 10.371 16.097 143 HE ARG 22 HE ARG 22 28.805 7.713 15.837 144 HH11 ARG 22 HH11 ARG 22 26.470 9.759 17.439 145 HH12 ARG 22 HH12 ARG 22 26.375 8.749 18.844 146 HH21 ARG 22 HH21 ARG 22 28.649 6.411 17.687 147 HH22 ARG 22 HH22 ARG 22 27.593 6.870 18.981 148 H GLY 23 HN GLY 23 25.447 5.562 12.556 149 HA2 GLY 23 HA2 GLY 23 25.739 3.965 10.919 150 HA3 GLY 23 HA1 GLY 23 25.521 5.241 9.725 151 H PHE 24 HN PHE 24 27.257 3.718 8.751 152 HA PHE 24 HA PHE 24 29.820 5.051 9.110 153 HB2 PHE 24 HB2 PHE 24 31.075 2.986 9.438 154 HB3 PHE 24 HB1 PHE 24 29.893 3.178 10.730 155 HD1 PHE 24 HD1 PHE 24 30.915 1.194 7.852 156 HD2 PHE 24 HD2 PHE 24 27.777 1.861 10.705 157 HE1 PHE 24 HE1 PHE 24 29.904 -0.983 7.250 158 HE2 PHE 24 HE2 PHE 24 26.771 -0.320 10.106 159 HZ PHE 24 HZ PHE 24 27.833 -1.742 8.379 160 H TYR 25 HN TYR 25 31.337 4.530 7.390 161 HA TYR 25 HA TYR 25 30.036 3.375 5.000 162 HB2 TYR 25 HB2 TYR 25 31.124 5.096 3.633 163 HB3 TYR 25 HB1 TYR 25 30.070 5.834 4.840 164 HD1 TYR 25 HD1 TYR 25 33.557 5.238 3.825 165 HD2 TYR 25 HD2 TYR 25 30.992 7.011 6.779 166 HE1 TYR 25 HE1 TYR 25 35.482 6.510 4.733 167 HE2 TYR 25 HE2 TYR 25 32.917 8.284 7.686 168 HH TYR 25 HH TYR 25 35.449 9.021 6.301 169 H PHE 26 HN PHE 26 32.853 3.699 6.984 170 HA PHE 26 HA PHE 26 34.834 2.773 5.214 171 HB2 PHE 26 HB2 PHE 26 35.379 3.786 7.373 172 HB3 PHE 26 HB1 PHE 26 34.624 2.433 8.216 173 HD1 PHE 26 HD1 PHE 26 37.341 3.288 5.799 174 HD2 PHE 26 HD2 PHE 26 35.833 0.449 8.647 175 HE1 PHE 26 HE1 PHE 26 39.461 2.010 5.649 176 HE2 PHE 26 HE2 PHE 26 37.953 -0.826 8.496 177 HZ PHE 26 HZ PHE 26 39.765 -0.048 6.996 178 H ASN 27 HN ASN 27 35.544 0.751 4.664 179 HA ASN 27 HA ASN 27 35.453 -1.512 4.278 180 HB2 ASN 27 HB2 ASN 27 35.717 -1.465 6.829 181 HB3 ASN 27 HB1 ASN 27 33.982 -1.776 6.897 182 HD21 ASN 27 HD21 ASN 27 34.112 -3.965 7.655 183 HD22 ASN 27 HD22 ASN 27 34.801 -5.212 6.732 184 H LYS 28 HN LYS 28 33.714 -0.407 2.757 185 HA LYS 28 HA LYS 28 30.984 -0.906 3.243 186 HB2 LYS 28 HB2 LYS 28 32.514 -0.538 0.661 187 HB3 LYS 28 HB1 LYS 28 30.755 -0.650 0.745 188 HG2 LYS 28 HG2 LYS 28 30.714 1.284 2.285 189 HG3 LYS 28 HG1 LYS 28 32.470 1.396 2.173 190 HD2 LYS 28 HD2 LYS 28 32.303 1.783 -0.252 191 HD3 LYS 28 HD1 LYS 28 30.545 1.671 -0.151 192 HE2 LYS 28 HE2 LYS 28 30.511 3.603 1.388 193 HE3 LYS 28 HE1 LYS 28 32.267 3.718 1.278 194 HZ1 LYS 28 HZ1 LYS 28 30.245 4.255 -0.796 195 HZ2 LYS 28 HZ2 LYS 28 31.833 3.844 -1.234 196 HZ3 LYS 28 HZ3 LYS 28 31.540 5.228 -0.292 197 HA PRO 29 HA PRO 29 30.708 -5.235 2.382 198 HB2 PRO 29 HB2 PRO 29 28.128 -5.436 1.524 199 HB3 PRO 29 HB1 PRO 29 28.558 -5.099 3.212 200 HG2 PRO 29 HG2 PRO 29 27.611 -3.244 1.096 201 HG3 PRO 29 HG1 PRO 29 27.259 -3.260 2.830 202 HD2 PRO 29 HD2 PRO 29 29.086 -1.570 1.627 203 HD3 PRO 29 HD1 PRO 29 29.111 -2.018 3.344 204 H THR 30 HN THR 30 32.232 -4.394 0.438 205 HA THR 30 HA THR 30 30.952 -4.805 -2.158 206 HB THR 30 HB THR 30 33.129 -4.177 -3.090 207 HG1 THR 30 HG1 THR 30 34.633 -4.887 -1.743 208 HG21 THR 30 HG21 THR 30 32.428 -2.327 -0.801 209 HG22 THR 30 HG22 THR 30 31.470 -2.445 -2.276 210 HG23 THR 30 HG23 THR 30 33.143 -1.889 -2.354 211 H GLY 31 HN GLY 31 32.517 -6.649 0.232 212 HA2 GLY 31 HA2 GLY 31 32.234 -9.120 -0.480 213 HA3 GLY 31 HA1 GLY 31 33.435 -8.673 -1.691 214 H TYR 32 HN TYR 32 33.105 -10.138 1.203 215 HA TYR 32 HA TYR 32 35.280 -9.047 2.700 216 HB2 TYR 32 HB2 TYR 32 33.511 -10.329 3.794 217 HB3 TYR 32 HB1 TYR 32 33.944 -11.758 2.858 218 HD1 TYR 32 HD1 TYR 32 35.240 -9.325 5.368 219 HD2 TYR 32 HD2 TYR 32 35.721 -13.179 3.533 220 HE1 TYR 32 HE1 TYR 32 36.959 -9.912 7.055 221 HE2 TYR 32 HE2 TYR 32 37.441 -13.767 5.222 222 HH TYR 32 HH TYR 32 37.818 -12.422 8.005 223 H GLY 33 HN GLY 33 37.402 -9.388 2.495 224 HA2 GLY 33 HA2 GLY 33 39.375 -10.570 2.051 225 HA3 GLY 33 HA1 GLY 33 38.421 -11.834 1.283 226 H SER 34 HN SER 34 37.128 -9.219 -0.081 227 HA SER 34 HA SER 34 39.124 -9.138 -2.256 228 HB2 SER 34 HB2 SER 34 36.106 -8.969 -2.368 229 HB3 SER 34 HB1 SER 34 37.164 -8.670 -3.745 230 HG SER 34 HG SER 34 37.660 -10.751 -3.830 231 H SER 35 HN SER 35 37.219 -7.333 0.004 232 HA SER 35 HA SER 35 37.124 -4.838 -1.280 233 HB2 SER 35 HB2 SER 35 36.686 -3.943 0.917 234 HB3 SER 35 HB1 SER 35 35.859 -5.489 0.771 235 HG SER 35 HG SER 35 37.178 -5.057 2.739 236 H SER 36 HN SER 36 39.611 -6.411 0.667 237 HA SER 36 HA SER 36 41.299 -4.165 0.979 238 HB2 SER 36 HB2 SER 36 43.041 -5.800 1.534 239 HB3 SER 36 HB1 SER 36 41.524 -6.209 2.333 240 HG SER 36 HG SER 36 41.241 -7.863 0.975 241 H ARG 37 HN ARG 37 40.994 -6.582 -1.526 242 HA ARG 37 HA ARG 37 43.331 -5.954 -2.985 243 HB2 ARG 37 HB2 ARG 37 42.021 -8.008 -3.371 244 HB3 ARG 37 HB1 ARG 37 40.701 -7.035 -4.025 245 HG2 ARG 37 HG2 ARG 37 42.133 -6.226 -5.826 246 HG3 ARG 37 HG1 ARG 37 43.522 -7.071 -5.139 247 HD2 ARG 37 HD2 ARG 37 42.590 -8.390 -6.967 248 HD3 ARG 37 HD1 ARG 37 42.331 -9.225 -5.438 249 HE ARG 37 HE ARG 37 40.091 -7.582 -6.083 250 HH11 ARG 37 HH11 ARG 37 41.704 -10.560 -6.908 251 HH12 ARG 37 HH12 ARG 37 40.253 -11.336 -7.451 252 HH21 ARG 37 HH21 ARG 37 38.206 -8.620 -6.798 253 HH22 ARG 37 HH22 ARG 37 38.287 -10.246 -7.390 254 H ARG 38 HN ARG 38 39.999 -4.757 -3.238 255 HA ARG 38 HA ARG 38 40.419 -3.068 -5.466 256 HB2 ARG 38 HB2 ARG 38 38.398 -2.970 -3.221 257 HB3 ARG 38 HB1 ARG 38 38.358 -1.886 -4.613 258 HG2 ARG 38 HG2 ARG 38 38.220 -3.818 -6.128 259 HG3 ARG 38 HG1 ARG 38 38.280 -4.916 -4.747 260 HD2 ARG 38 HD2 ARG 38 35.959 -4.625 -5.421 261 HD3 ARG 38 HD1 ARG 38 36.206 -3.843 -3.860 262 HE ARG 38 HE ARG 38 35.827 -1.784 -4.881 263 HH11 ARG 38 HH11 ARG 38 36.321 -4.281 -7.272 264 HH12 ARG 38 HH12 ARG 38 35.840 -3.271 -8.598 265 HH21 ARG 38 HH21 ARG 38 35.212 -0.487 -6.639 266 HH22 ARG 38 HH22 ARG 38 35.222 -1.143 -8.242 267 H ALA 39 HN ALA 39 40.688 -2.520 -1.978 268 HA ALA 39 HA ALA 39 42.459 -0.284 -2.460 269 HB1 ALA 39 HB1 ALA 39 40.696 1.175 -2.463 270 HB2 ALA 39 HB2 ALA 39 40.876 1.024 -0.714 271 HB3 ALA 39 HB3 ALA 39 39.649 0.080 -1.561 272 HA PRO 40 HA PRO 40 44.082 -1.652 1.403 273 HB2 PRO 40 HB2 PRO 40 45.202 0.628 2.392 274 HB3 PRO 40 HB1 PRO 40 45.868 -0.250 1.002 275 HG2 PRO 40 HG2 PRO 40 44.239 2.232 1.070 276 HG3 PRO 40 HG1 PRO 40 45.571 1.779 -0.006 277 HD2 PRO 40 HD2 PRO 40 42.895 1.638 -0.699 278 HD3 PRO 40 HD1 PRO 40 44.185 0.692 -1.473 279 H GLN 41 HN GLN 41 41.687 -1.868 2.073 280 HA GLN 41 HA GLN 41 40.889 0.105 4.087 281 HB2 GLN 41 HB2 GLN 41 39.438 -2.236 2.845 282 HB3 GLN 41 HB1 GLN 41 38.768 -1.255 4.150 283 HG2 GLN 41 HG2 GLN 41 38.859 0.739 2.785 284 HG3 GLN 41 HG1 GLN 41 39.737 -0.114 1.516 285 HE21 GLN 41 HE21 GLN 41 37.075 1.222 1.289 286 HE22 GLN 41 HE22 GLN 41 35.990 0.008 0.809 287 H THR 42 HN THR 42 42.998 -2.239 4.183 288 HA THR 42 HA THR 42 42.046 -3.890 6.333 289 HB THR 42 HB THR 42 44.327 -4.783 6.353 290 HG1 THR 42 HG1 THR 42 44.881 -2.789 4.419 291 HG21 THR 42 HG21 THR 42 43.435 -4.278 3.504 292 HG22 THR 42 HG22 THR 42 42.684 -5.463 4.572 293 HG23 THR 42 HG23 THR 42 44.372 -5.648 4.100 294 H GLY 43 HN GLY 43 43.279 -4.027 8.410 295 HA2 GLY 43 HA2 GLY 43 44.736 -2.845 9.998 296 HA3 GLY 43 HA1 GLY 43 44.088 -1.339 9.356 297 H ILE 44 HN ILE 44 41.794 -0.861 9.760 298 HA ILE 44 HA ILE 44 41.042 -1.292 12.431 299 HB ILE 44 HB ILE 44 39.507 -0.323 10.018 300 HG12 ILE 44 HG12 ILE 44 40.472 1.179 12.461 301 HG13 ILE 44 HG11 ILE 44 41.439 1.025 10.994 302 HG21 ILE 44 HG21 ILE 44 38.677 -0.501 12.915 303 HG22 ILE 44 HG22 ILE 44 37.880 -1.240 11.524 304 HG23 ILE 44 HG23 ILE 44 37.866 0.510 11.720 305 HD11 ILE 44 HD11 ILE 44 40.206 3.116 10.889 306 HD12 ILE 44 HD12 ILE 44 38.690 2.281 11.228 307 HD13 ILE 44 HD13 ILE 44 39.526 2.006 9.699 308 H VAL 45 HN VAL 45 39.844 -2.729 9.404 309 HA VAL 45 HA VAL 45 37.877 -4.378 10.571 310 HB VAL 45 HB VAL 45 39.443 -4.613 8.000 311 HG11 VAL 45 HG11 VAL 45 37.636 -6.282 7.386 312 HG12 VAL 45 HG12 VAL 45 37.191 -6.326 9.090 313 HG13 VAL 45 HG13 VAL 45 38.793 -6.868 8.582 314 HG21 VAL 45 HG21 VAL 45 37.742 -2.739 8.400 315 HG22 VAL 45 HG22 VAL 45 36.513 -4.002 8.464 316 HG23 VAL 45 HG23 VAL 45 37.450 -3.757 6.990 317 H ASP 46 HN ASP 46 41.263 -5.015 9.716 318 HA ASP 46 HA ASP 46 41.288 -7.721 10.517 319 HB2 ASP 46 HB2 ASP 46 43.475 -5.661 10.258 320 HB3 ASP 46 HB1 ASP 46 43.792 -7.337 10.702 321 H GLU 47 HN GLU 47 41.934 -4.718 12.285 322 HA GLU 47 HA GLU 47 42.963 -5.889 14.625 323 HB2 GLU 47 HB2 GLU 47 43.119 -3.487 14.142 324 HB3 GLU 47 HB1 GLU 47 41.369 -3.331 14.303 325 HG2 GLU 47 HG2 GLU 47 42.471 -2.647 16.379 326 HG3 GLU 47 HG1 GLU 47 41.531 -4.111 16.653 327 H CYS 48 HN CYS 48 39.632 -4.833 13.885 328 HA CYS 48 HA CYS 48 38.541 -5.841 16.331 329 HB2 CYS 48 HB2 CYS 48 37.220 -5.071 13.721 330 HB3 CYS 48 HB1 CYS 48 36.362 -5.497 15.198 331 H CYS 49 HN CYS 49 38.752 -7.085 13.023 332 HA CYS 49 HA CYS 49 37.137 -9.356 13.340 333 HB2 CYS 49 HB2 CYS 49 37.866 -8.516 11.142 334 HB3 CYS 49 HB1 CYS 49 39.524 -8.987 11.512 335 H PHE 50 HN PHE 50 40.671 -8.985 13.651 336 HA PHE 50 HA PHE 50 40.917 -11.708 14.604 337 HB2 PHE 50 HB2 PHE 50 42.873 -9.485 14.047 338 HB3 PHE 50 HB1 PHE 50 43.383 -10.980 14.841 339 HD1 PHE 50 HD1 PHE 50 41.746 -9.577 11.810 340 HD2 PHE 50 HD2 PHE 50 43.706 -12.974 13.564 341 HE1 PHE 50 HE1 PHE 50 41.851 -10.656 9.579 342 HE2 PHE 50 HE2 PHE 50 43.812 -14.058 11.335 343 HZ PHE 50 HZ PHE 50 42.887 -12.904 9.343 344 H ARG 51 HN ARG 51 42.122 -8.597 15.880 345 HA ARG 51 HA ARG 51 42.118 -9.605 18.588 346 HB2 ARG 51 HB2 ARG 51 43.118 -7.213 17.187 347 HB3 ARG 51 HB1 ARG 51 42.581 -6.933 18.843 348 HG2 ARG 51 HG2 ARG 51 44.928 -7.545 18.903 349 HG3 ARG 51 HG1 ARG 51 43.993 -8.888 19.559 350 HD2 ARG 51 HD2 ARG 51 44.161 -10.114 17.505 351 HD3 ARG 51 HD1 ARG 51 44.834 -8.723 16.661 352 HE ARG 51 HE ARG 51 46.558 -9.289 18.776 353 HH11 ARG 51 HH11 ARG 51 45.340 -10.837 15.900 354 HH12 ARG 51 HH12 ARG 51 46.771 -11.780 15.657 355 HH21 ARG 51 HH21 ARG 51 48.421 -10.538 18.437 356 HH22 ARG 51 HH22 ARG 51 48.503 -11.615 17.082 357 H SER 52 HN SER 52 41.077 -8.303 20.351 358 HA SER 52 HA SER 52 38.295 -7.748 19.606 359 HB2 SER 52 HB2 SER 52 39.641 -8.119 22.290 360 HB3 SER 52 HB1 SER 52 37.931 -7.754 22.082 361 HG SER 52 HG SER 52 38.319 -10.003 22.249 362 H CYS 53 HN CYS 53 38.677 -5.698 18.597 363 HA CYS 53 HA CYS 53 39.958 -3.538 19.939 364 HB2 CYS 53 HB2 CYS 53 39.006 -2.154 18.171 365 HB3 CYS 53 HB1 CYS 53 39.634 -3.648 17.479 366 H ASP 54 HN ASP 54 39.062 -1.760 21.002 367 HA ASP 54 HA ASP 54 36.826 -2.325 22.669 368 HB2 ASP 54 HB2 ASP 54 38.419 0.194 22.173 369 HB3 ASP 54 HB1 ASP 54 37.112 0.097 23.352 370 H LEU 55 HN LEU 55 34.743 -1.587 22.614 371 HA LEU 55 HA LEU 55 33.582 -1.000 20.101 372 HB2 LEU 55 HB2 LEU 55 32.527 -0.765 22.926 373 HB3 LEU 55 HB1 LEU 55 31.536 -0.471 21.498 374 HG LEU 55 HG LEU 55 33.080 -3.038 21.932 375 HD11 LEU 55 HD11 LEU 55 30.884 -4.013 22.577 376 HD12 LEU 55 HD12 LEU 55 30.178 -2.398 22.551 377 HD13 LEU 55 HD13 LEU 55 31.429 -2.797 23.729 378 HD21 LEU 55 HD21 LEU 55 30.929 -2.107 20.012 379 HD22 LEU 55 HD22 LEU 55 31.294 -3.816 20.256 380 HD23 LEU 55 HD23 LEU 55 32.532 -2.731 19.623 381 H ARG 56 HN ARG 56 34.480 1.042 22.853 382 HA ARG 56 HA ARG 56 33.319 3.440 21.970 383 HB2 ARG 56 HB2 ARG 56 34.228 3.150 24.233 384 HB3 ARG 56 HB1 ARG 56 35.858 3.033 23.570 385 HG2 ARG 56 HG2 ARG 56 35.734 5.304 22.719 386 HG3 ARG 56 HG1 ARG 56 34.042 5.431 23.206 387 HD2 ARG 56 HD2 ARG 56 34.654 5.216 25.554 388 HD3 ARG 56 HD1 ARG 56 36.343 4.952 25.122 389 HE ARG 56 HE ARG 56 36.564 7.243 24.782 390 HH11 ARG 56 HH11 ARG 56 33.198 6.353 24.995 391 HH12 ARG 56 HH12 ARG 56 32.646 7.994 25.056 392 HH21 ARG 56 HH21 ARG 56 35.812 9.379 24.857 393 HH22 ARG 56 HH22 ARG 56 34.113 9.693 24.976 394 H ARG 57 HN ARG 57 36.607 2.128 21.401 395 HA ARG 57 HA ARG 57 37.557 4.275 19.865 396 HB2 ARG 57 HB2 ARG 57 38.878 2.369 20.921 397 HB3 ARG 57 HB1 ARG 57 38.383 1.400 19.529 398 HG2 ARG 57 HG2 ARG 57 39.473 2.851 17.999 399 HG3 ARG 57 HG1 ARG 57 39.673 4.106 19.222 400 HD2 ARG 57 HD2 ARG 57 41.806 2.982 18.949 401 HD3 ARG 57 HD1 ARG 57 41.129 2.541 20.515 402 HE ARG 57 HE ARG 57 40.811 0.372 19.739 403 HH11 ARG 57 HH11 ARG 57 41.703 2.509 17.123 404 HH12 ARG 57 HH12 ARG 57 41.992 1.213 16.008 405 HH21 ARG 57 HH21 ARG 57 41.217 -1.300 18.248 406 HH22 ARG 57 HH22 ARG 57 41.710 -0.911 16.634 407 H LEU 58 HN LEU 58 35.785 1.337 19.025 408 HA LEU 58 HA LEU 58 36.005 1.489 16.237 409 HB2 LEU 58 HB2 LEU 58 35.073 -0.440 17.584 410 HB3 LEU 58 HB1 LEU 58 33.582 0.489 17.740 411 HG LEU 58 HG LEU 58 33.653 0.687 15.169 412 HD11 LEU 58 HD11 LEU 58 34.973 -0.858 13.950 413 HD12 LEU 58 HD12 LEU 58 35.349 -1.804 15.388 414 HD13 LEU 58 HD13 LEU 58 36.085 -0.219 15.158 415 HD21 LEU 58 HD21 LEU 58 31.967 -0.675 16.163 416 HD22 LEU 58 HD22 LEU 58 33.138 -1.898 16.655 417 HD23 LEU 58 HD23 LEU 58 32.735 -1.699 14.950 418 H ASP 59 HN ASP 59 33.831 3.097 18.479 419 HA ASP 59 HA ASP 59 31.907 4.081 16.732 420 HB2 ASP 59 HB2 ASP 59 31.962 4.291 19.264 421 HB3 ASP 59 HB1 ASP 59 33.056 5.654 19.040 422 H MET 60 HN MET 60 35.236 4.966 17.073 423 HA MET 60 HA MET 60 35.223 7.579 16.057 424 HB2 MET 60 HB2 MET 60 37.280 5.381 15.882 425 HB3 MET 60 HB1 MET 60 37.569 7.026 15.320 426 HG2 MET 60 HG2 MET 60 36.633 6.399 18.127 427 HG3 MET 60 HG1 MET 60 38.338 6.554 17.695 428 HE1 MET 60 HE1 MET 60 39.412 8.244 16.709 429 HE2 MET 60 HE2 MET 60 39.134 9.961 16.994 430 HE3 MET 60 HE3 MET 60 38.445 9.189 15.569 431 H TYR 61 HN TYR 61 35.187 4.450 14.432 432 HA TYR 61 HA TYR 61 35.489 5.609 11.800 433 HB2 TYR 61 HB2 TYR 61 34.493 2.821 12.308 434 HB3 TYR 61 HB1 TYR 61 35.503 3.426 10.992 435 HD1 TYR 61 HD1 TYR 61 35.771 1.228 13.472 436 HD2 TYR 61 HD2 TYR 61 37.572 4.968 12.355 437 HE1 TYR 61 HE1 TYR 61 37.812 0.626 14.751 438 HE2 TYR 61 HE2 TYR 61 39.606 4.373 13.640 439 HH TYR 61 HH TYR 61 40.661 1.897 14.366 440 H CYS 62 HN CYS 62 33.168 6.496 13.476 441 HA CYS 62 HA CYS 62 30.910 5.514 11.894 442 HB2 CYS 62 HB2 CYS 62 31.067 7.164 14.428 443 HB3 CYS 62 HB1 CYS 62 29.562 6.789 13.587 444 H ALA 63 HN ALA 63 29.644 6.912 10.678 445 HA ALA 63 HA ALA 63 30.962 9.089 9.485 446 HB1 ALA 63 HB1 ALA 63 29.065 7.541 8.569 447 HB2 ALA 63 HB2 ALA 63 29.114 9.230 8.066 448 HB3 ALA 63 HB3 ALA 63 27.988 8.716 9.321 449 HA PRO 64 HA PRO 64 29.741 12.399 12.153 450 HB2 PRO 64 HB2 PRO 64 29.724 14.488 10.406 451 HB3 PRO 64 HB1 PRO 64 31.219 13.704 10.956 452 HG2 PRO 64 HG2 PRO 64 29.749 13.395 8.391 453 HG3 PRO 64 HG1 PRO 64 31.493 13.411 8.703 454 HD2 PRO 64 HD2 PRO 64 30.019 11.107 8.294 455 HD3 PRO 64 HD1 PRO 64 31.556 11.156 9.183 456 H LEU 65 HN LEU 65 28.034 13.922 12.636 457 HA LEU 65 HA LEU 65 25.451 13.031 11.780 458 HB2 LEU 65 HB2 LEU 65 26.296 15.406 13.456 459 HB3 LEU 65 HB1 LEU 65 24.626 14.893 13.219 460 HG LEU 65 HG LEU 65 26.797 13.106 14.351 461 HD11 LEU 65 HD11 LEU 65 24.644 14.732 15.731 462 HD12 LEU 65 HD12 LEU 65 26.388 14.925 15.913 463 HD13 LEU 65 HD13 LEU 65 25.592 13.470 16.516 464 HD21 LEU 65 HD21 LEU 65 23.804 12.862 13.968 465 HD22 LEU 65 HD22 LEU 65 24.675 11.860 15.131 466 HD23 LEU 65 HD23 LEU 65 25.068 11.764 13.415 467 H LYS 66 HN LYS 66 23.936 14.076 10.520 468 HA LYS 66 HA LYS 66 24.964 15.629 8.383 469 HB2 LYS 66 HB2 LYS 66 22.137 14.945 9.203 470 HB3 LYS 66 HB1 LYS 66 22.534 15.839 7.734 471 HG2 LYS 66 HG2 LYS 66 23.943 13.971 6.967 472 HG3 LYS 66 HG1 LYS 66 23.563 13.077 8.440 473 HD2 LYS 66 HD2 LYS 66 21.171 13.095 7.842 474 HD3 LYS 66 HD1 LYS 66 21.546 13.989 6.368 475 HE2 LYS 66 HE2 LYS 66 22.958 12.129 5.587 476 HE3 LYS 66 HE1 LYS 66 22.605 11.234 7.066 477 HZ1 LYS 66 HZ1 LYS 66 21.088 10.412 5.535 478 HZ2 LYS 66 HZ2 LYS 66 20.779 11.939 4.855 479 HZ3 LYS 66 HZ3 LYS 66 20.179 11.555 6.398 480 HA PRO 67 HA PRO 67 24.481 19.718 9.987 481 HB2 PRO 67 HB2 PRO 67 23.917 21.118 7.705 482 HB3 PRO 67 HB1 PRO 67 25.529 20.478 8.081 483 HG2 PRO 67 HG2 PRO 67 23.437 19.399 6.263 484 HG3 PRO 67 HG1 PRO 67 25.196 19.450 6.059 485 HD2 PRO 67 HD2 PRO 67 23.842 17.200 6.827 486 HD3 PRO 67 HD1 PRO 67 25.528 17.526 7.279 487 H ALA 68 HN ALA 68 22.944 21.338 10.518 488 HA ALA 68 HA ALA 68 20.283 20.466 10.811 489 HB1 ALA 68 HB1 ALA 68 19.826 22.649 11.701 490 HB2 ALA 68 HB2 ALA 68 21.237 23.333 10.895 491 HB3 ALA 68 HB3 ALA 68 21.447 22.195 12.225 492 H LYS 69 HN LYS 69 21.829 22.552 8.427 493 HA LYS 69 HA LYS 69 19.543 23.548 7.152 494 HB2 LYS 69 HB2 LYS 69 21.819 24.369 6.710 495 HB3 LYS 69 HB1 LYS 69 22.216 22.842 5.923 496 HG2 LYS 69 HG2 LYS 69 20.458 23.227 4.246 497 HG3 LYS 69 HG1 LYS 69 20.022 24.741 5.038 498 HD2 LYS 69 HD2 LYS 69 22.810 24.193 3.995 499 HD3 LYS 69 HD1 LYS 69 21.561 24.958 3.012 500 HE2 LYS 69 HE2 LYS 69 22.536 25.990 5.698 501 HE3 LYS 69 HE1 LYS 69 23.003 26.641 4.128 502 HZ1 LYS 69 HZ1 LYS 69 20.386 26.741 5.470 503 HZ2 LYS 69 HZ2 LYS 69 20.469 26.823 3.775 504 HZ3 LYS 69 HZ3 LYS 69 21.258 27.991 4.725 505 H SER 70 HN SER 70 21.421 20.594 6.502 506 HA SER 70 HA SER 70 19.879 19.698 4.312 507 HB2 SER 70 HB2 SER 70 22.083 18.768 4.810 508 HB3 SER 70 HB1 SER 70 21.482 18.105 6.327 509 HG SER 70 HG SER 70 20.693 17.445 3.681 510 H ALA 71 HN ALA 71 19.644 19.048 7.794 511 HA ALA 71 HA ALA 71 17.381 17.295 7.514 512 HB1 ALA 71 HB1 ALA 71 18.606 18.665 9.917 513 HB2 ALA 71 HB2 ALA 71 18.834 16.990 9.415 514 HB3 ALA 71 HB3 ALA 71 17.263 17.526 10.013 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 27.679 -23.018 19.560 2 H2 GLY 1 HT2 GLY 1 28.092 -22.313 21.050 3 H3 GLY 1 HT3 GLY 1 29.139 -22.170 19.720 4 HA2 GLY 1 HA2 GLY 1 27.651 -20.752 18.567 5 HA3 GLY 1 HA1 GLY 1 26.393 -21.051 19.768 6 H GLY 2 HN GLY 2 27.303 -18.461 19.120 7 HA2 GLY 2 HA2 GLY 2 27.756 -16.511 20.277 8 HA3 GLY 2 HA1 GLY 2 27.945 -17.479 21.738 9 HA PRO 3 HA PRO 3 32.220 -17.602 19.371 10 HB2 PRO 3 HB2 PRO 3 31.918 -15.209 17.641 11 HB3 PRO 3 HB1 PRO 3 32.603 -16.800 17.256 12 HG2 PRO 3 HG2 PRO 3 30.245 -16.064 16.298 13 HG3 PRO 3 HG1 PRO 3 30.538 -17.732 16.825 14 HD2 PRO 3 HD2 PRO 3 29.111 -15.527 18.293 15 HD3 PRO 3 HD1 PRO 3 28.647 -17.239 18.126 16 H GLU 4 HN GLU 4 34.031 -16.512 20.090 17 HA GLU 4 HA GLU 4 33.527 -14.317 21.932 18 HB2 GLU 4 HB2 GLU 4 35.964 -16.032 21.442 19 HB3 GLU 4 HB1 GLU 4 35.908 -14.720 22.618 20 HG2 GLU 4 HG2 GLU 4 34.102 -15.810 23.825 21 HG3 GLU 4 HG1 GLU 4 34.001 -17.077 22.600 22 H THR 5 HN THR 5 34.172 -14.480 18.740 23 HA THR 5 HA THR 5 35.663 -11.935 18.777 24 HB THR 5 HB THR 5 36.800 -12.642 16.708 25 HG1 THR 5 HG1 THR 5 35.691 -15.189 17.230 26 HG21 THR 5 HG21 THR 5 38.281 -14.328 17.730 27 HG22 THR 5 HG22 THR 5 37.078 -14.619 18.989 28 HG23 THR 5 HG23 THR 5 37.884 -13.053 18.882 29 H LEU 6 HN LEU 6 35.283 -10.583 16.883 30 HA LEU 6 HA LEU 6 32.608 -11.057 15.707 31 HB2 LEU 6 HB2 LEU 6 33.956 -8.425 16.350 32 HB3 LEU 6 HB1 LEU 6 32.354 -8.616 15.637 33 HG LEU 6 HG LEU 6 33.167 -9.724 18.341 34 HD11 LEU 6 HD11 LEU 6 33.076 -7.190 18.148 35 HD12 LEU 6 HD12 LEU 6 31.961 -7.894 19.322 36 HD13 LEU 6 HD13 LEU 6 31.367 -7.364 17.749 37 HD21 LEU 6 HD21 LEU 6 31.368 -11.016 17.388 38 HD22 LEU 6 HD22 LEU 6 30.542 -9.560 16.832 39 HD23 LEU 6 HD23 LEU 6 30.641 -9.914 18.557 40 H CYS 7 HN CYS 7 33.066 -11.868 13.717 41 HA CYS 7 HA CYS 7 34.656 -10.157 11.928 42 HB2 CYS 7 HB2 CYS 7 34.887 -13.173 12.124 43 HB3 CYS 7 HB1 CYS 7 35.684 -12.157 10.925 44 H GLY 8 HN GLY 8 34.184 -10.537 9.635 45 HA2 GLY 8 HA2 GLY 8 32.796 -11.002 7.845 46 HA3 GLY 8 HA1 GLY 8 31.942 -12.154 8.868 47 H ALA 9 HN ALA 9 29.908 -11.506 8.195 48 HA ALA 9 HA ALA 9 28.964 -8.865 8.058 49 HB1 ALA 9 HB1 ALA 9 27.665 -10.545 6.994 50 HB2 ALA 9 HB2 ALA 9 26.683 -9.966 8.340 51 HB3 ALA 9 HB3 ALA 9 27.547 -11.496 8.475 52 H GLU 10 HN GLU 10 29.180 -11.126 10.753 53 HA GLU 10 HA GLU 10 27.509 -9.855 12.590 54 HB2 GLU 10 HB2 GLU 10 28.522 -12.048 13.000 55 HB3 GLU 10 HB1 GLU 10 30.121 -11.308 13.081 56 HG2 GLU 10 HG2 GLU 10 29.239 -11.684 15.338 57 HG3 GLU 10 HG1 GLU 10 29.389 -9.959 15.023 58 H LEU 11 HN LEU 11 30.974 -9.318 11.943 59 HA LEU 11 HA LEU 11 31.310 -7.285 13.878 60 HB2 LEU 11 HB2 LEU 11 33.214 -8.459 12.870 61 HB3 LEU 11 HB1 LEU 11 32.830 -7.749 11.304 62 HG LEU 11 HG LEU 11 33.170 -5.486 12.260 63 HD11 LEU 11 HD11 LEU 11 33.831 -7.085 14.741 64 HD12 LEU 11 HD12 LEU 11 32.638 -5.797 14.572 65 HD13 LEU 11 HD13 LEU 11 34.360 -5.418 14.518 66 HD21 LEU 11 HD21 LEU 11 35.404 -7.508 12.530 67 HD22 LEU 11 HD22 LEU 11 35.670 -5.771 12.680 68 HD23 LEU 11 HD23 LEU 11 35.062 -6.441 11.170 69 H VAL 12 HN VAL 12 30.431 -7.214 10.455 70 HA VAL 12 HA VAL 12 30.512 -4.448 10.080 71 HB VAL 12 HB VAL 12 28.922 -6.636 8.756 72 HG11 VAL 12 HG11 VAL 12 27.541 -4.662 8.486 73 HG12 VAL 12 HG12 VAL 12 28.462 -4.836 6.993 74 HG13 VAL 12 HG13 VAL 12 28.956 -3.648 8.198 75 HG21 VAL 12 HG21 VAL 12 31.161 -4.843 7.787 76 HG22 VAL 12 HG22 VAL 12 30.484 -6.237 6.944 77 HG23 VAL 12 HG23 VAL 12 31.393 -6.465 8.439 78 H ASP 13 HN ASP 13 27.884 -6.558 11.170 79 HA ASP 13 HA ASP 13 25.852 -4.619 11.325 80 HB2 ASP 13 HB2 ASP 13 25.485 -7.077 11.465 81 HB3 ASP 13 HB1 ASP 13 26.215 -7.067 13.070 82 H ALA 14 HN ALA 14 28.281 -5.677 13.685 83 HA ALA 14 HA ALA 14 27.341 -4.191 15.882 84 HB1 ALA 14 HB1 ALA 14 30.244 -4.782 15.304 85 HB2 ALA 14 HB2 ALA 14 29.120 -6.000 15.906 86 HB3 ALA 14 HB3 ALA 14 29.474 -4.569 16.875 87 H LEU 15 HN LEU 15 29.570 -3.336 13.255 88 HA LEU 15 HA LEU 15 30.373 -0.824 14.258 89 HB2 LEU 15 HB2 LEU 15 30.153 -1.902 11.444 90 HB3 LEU 15 HB1 LEU 15 30.823 -0.314 11.811 91 HG LEU 15 HG LEU 15 31.841 -2.853 13.107 92 HD11 LEU 15 HD11 LEU 15 32.063 -2.789 10.551 93 HD12 LEU 15 HD12 LEU 15 33.564 -2.969 11.458 94 HD13 LEU 15 HD13 LEU 15 33.126 -1.400 10.780 95 HD21 LEU 15 HD21 LEU 15 32.455 -0.895 14.344 96 HD22 LEU 15 HD22 LEU 15 32.819 0.006 12.873 97 HD23 LEU 15 HD23 LEU 15 33.871 -1.313 13.382 98 H GLN 16 HN GLN 16 27.671 -1.766 12.158 99 HA GLN 16 HA GLN 16 26.714 0.866 11.712 100 HB2 GLN 16 HB2 GLN 16 26.072 -1.111 10.335 101 HB3 GLN 16 HB1 GLN 16 25.125 -1.709 11.696 102 HG2 GLN 16 HG2 GLN 16 23.737 0.299 11.662 103 HG3 GLN 16 HG1 GLN 16 24.726 0.987 10.374 104 HE21 GLN 16 HE21 GLN 16 22.067 0.747 9.750 105 HE22 GLN 16 HE22 GLN 16 21.805 -0.560 8.701 106 H PHE 17 HN PHE 17 25.975 -1.598 14.142 107 HA PHE 17 HA PHE 17 23.836 -0.289 15.414 108 HB2 PHE 17 HB2 PHE 17 24.243 -2.586 15.924 109 HB3 PHE 17 HB1 PHE 17 25.897 -2.249 16.437 110 HD1 PHE 17 HD1 PHE 17 22.313 -1.813 17.316 111 HD2 PHE 17 HD2 PHE 17 26.389 -1.349 18.613 112 HE1 PHE 17 HE1 PHE 17 21.530 -1.392 19.633 113 HE2 PHE 17 HE2 PHE 17 25.599 -0.934 20.927 114 HZ PHE 17 HZ PHE 17 23.174 -0.955 21.439 115 H VAL 18 HN VAL 18 27.317 -0.279 16.205 116 HA VAL 18 HA VAL 18 27.126 1.424 18.435 117 HB VAL 18 HB VAL 18 29.407 0.918 16.518 118 HG11 VAL 18 HG11 VAL 18 30.809 1.798 18.411 119 HG12 VAL 18 HG12 VAL 18 29.323 2.336 19.189 120 HG13 VAL 18 HG13 VAL 18 29.807 3.026 17.640 121 HG21 VAL 18 HG21 VAL 18 28.932 -0.122 19.326 122 HG22 VAL 18 HG22 VAL 18 30.174 -0.644 18.187 123 HG23 VAL 18 HG23 VAL 18 28.478 -1.014 17.872 124 H CYS 19 HN CYS 19 27.907 2.143 15.041 125 HA CYS 19 HA CYS 19 28.169 4.962 15.414 126 HB2 CYS 19 HB2 CYS 19 27.582 3.330 12.926 127 HB3 CYS 19 HB1 CYS 19 27.944 5.046 12.937 128 H GLY 20 HN GLY 20 25.498 2.860 14.555 129 HA2 GLY 20 HA2 GLY 20 23.228 3.220 14.492 130 HA3 GLY 20 HA1 GLY 20 23.522 4.634 15.499 131 H ASP 21 HN ASP 21 22.545 6.318 14.577 132 HA ASP 21 HA ASP 21 21.903 6.583 11.862 133 HB2 ASP 21 HB2 ASP 21 22.210 8.638 14.057 134 HB3 ASP 21 HB1 ASP 21 21.638 9.041 12.439 135 H ARG 22 HN ARG 22 24.793 7.458 13.653 136 HA ARG 22 HA ARG 22 25.960 9.207 11.775 137 HB2 ARG 22 HB2 ARG 22 27.202 7.322 13.787 138 HB3 ARG 22 HB1 ARG 22 28.116 8.510 12.865 139 HG2 ARG 22 HG2 ARG 22 26.578 10.289 13.766 140 HG3 ARG 22 HG1 ARG 22 25.869 9.063 14.818 141 HD2 ARG 22 HD2 ARG 22 28.807 9.792 14.762 142 HD3 ARG 22 HD1 ARG 22 27.654 10.375 15.957 143 HE ARG 22 HE ARG 22 28.796 7.716 15.804 144 HH11 ARG 22 HH11 ARG 22 26.195 9.702 17.018 145 HH12 ARG 22 HH12 ARG 22 25.834 8.629 18.323 146 HH21 ARG 22 HH21 ARG 22 28.297 6.342 17.518 147 HH22 ARG 22 HH22 ARG 22 27.011 6.740 18.606 148 H GLY 23 HN GLY 23 26.030 5.673 12.066 149 HA2 GLY 23 HA2 GLY 23 26.523 4.049 10.497 150 HA3 GLY 23 HA1 GLY 23 26.550 5.319 9.277 151 H PHE 24 HN PHE 24 28.392 3.796 8.579 152 HA PHE 24 HA PHE 24 30.885 5.048 9.395 153 HB2 PHE 24 HB2 PHE 24 32.029 2.984 9.950 154 HB3 PHE 24 HB1 PHE 24 30.614 3.142 10.985 155 HD1 PHE 24 HD1 PHE 24 32.235 1.202 8.384 156 HD2 PHE 24 HD2 PHE 24 28.526 1.865 10.441 157 HE1 PHE 24 HE1 PHE 24 31.376 -0.960 7.533 158 HE2 PHE 24 HE2 PHE 24 27.668 -0.299 9.594 159 HZ PHE 24 HZ PHE 24 29.091 -1.711 8.141 160 H TYR 25 HN TYR 25 32.688 4.420 7.964 161 HA TYR 25 HA TYR 25 31.928 3.096 5.468 162 HB2 TYR 25 HB2 TYR 25 32.547 4.933 4.054 163 HB3 TYR 25 HB1 TYR 25 31.372 5.547 5.217 164 HD1 TYR 25 HD1 TYR 25 34.889 5.566 4.168 165 HD2 TYR 25 HD2 TYR 25 32.071 7.012 7.070 166 HE1 TYR 25 HE1 TYR 25 36.544 7.235 4.937 167 HE2 TYR 25 HE2 TYR 25 33.730 8.690 7.840 168 HH TYR 25 HH TYR 25 36.146 9.744 6.252 169 H PHE 26 HN PHE 26 33.859 2.907 3.995 170 HA PHE 26 HA PHE 26 36.301 2.559 5.625 171 HB2 PHE 26 HB2 PHE 26 35.363 1.036 3.179 172 HB3 PHE 26 HB1 PHE 26 36.912 0.790 3.987 173 HD1 PHE 26 HD1 PHE 26 33.286 0.284 4.180 174 HD2 PHE 26 HD2 PHE 26 37.015 -0.151 6.266 175 HE1 PHE 26 HE1 PHE 26 32.199 -1.239 5.807 176 HE2 PHE 26 HE2 PHE 26 35.927 -1.675 7.893 177 HZ PHE 26 HZ PHE 26 33.520 -2.218 7.665 178 H ASN 27 HN ASN 27 38.235 3.311 4.875 179 HA ASN 27 HA ASN 27 38.183 5.468 3.004 180 HB2 ASN 27 HB2 ASN 27 40.439 4.021 4.399 181 HB3 ASN 27 HB1 ASN 27 40.695 5.396 3.327 182 HD21 ASN 27 HD21 ASN 27 41.286 5.413 6.190 183 HD22 ASN 27 HD22 ASN 27 40.270 6.573 6.899 184 H LYS 28 HN LYS 28 39.145 5.619 0.970 185 HA LYS 28 HA LYS 28 39.518 4.874 -1.177 186 HB2 LYS 28 HB2 LYS 28 41.167 2.835 0.330 187 HB3 LYS 28 HB1 LYS 28 41.317 3.212 -1.387 188 HG2 LYS 28 HG2 LYS 28 41.819 5.581 -0.782 189 HG3 LYS 28 HG1 LYS 28 41.784 5.124 0.921 190 HD2 LYS 28 HD2 LYS 28 43.606 3.817 -1.115 191 HD3 LYS 28 HD1 LYS 28 44.097 5.179 -0.106 192 HE2 LYS 28 HE2 LYS 28 43.532 3.841 1.919 193 HE3 LYS 28 HE1 LYS 28 43.150 2.470 0.877 194 HZ1 LYS 28 HZ1 LYS 28 45.769 3.779 1.289 195 HZ2 LYS 28 HZ2 LYS 28 45.469 2.765 -0.041 196 HZ3 LYS 28 HZ3 LYS 28 45.356 2.155 1.541 197 HA PRO 29 HA PRO 29 36.424 1.381 -0.551 198 HB2 PRO 29 HB2 PRO 29 34.389 2.612 -1.933 199 HB3 PRO 29 HB1 PRO 29 34.621 2.758 -0.181 200 HG2 PRO 29 HG2 PRO 29 35.371 4.644 -2.359 201 HG3 PRO 29 HG1 PRO 29 34.705 4.980 -0.750 202 HD2 PRO 29 HD2 PRO 29 37.344 5.288 -1.323 203 HD3 PRO 29 HD1 PRO 29 36.773 4.815 0.291 204 H THR 30 HN THR 30 37.555 3.300 -3.234 205 HA THR 30 HA THR 30 36.558 1.661 -5.334 206 HB THR 30 HB THR 30 38.169 2.874 -6.750 207 HG1 THR 30 HG1 THR 30 39.847 2.947 -5.188 208 HG21 THR 30 HG21 THR 30 37.370 5.191 -6.183 209 HG22 THR 30 HG22 THR 30 36.676 4.531 -4.703 210 HG23 THR 30 HG23 THR 30 36.080 3.992 -6.272 211 H GLY 31 HN GLY 31 39.349 1.529 -3.289 212 HA2 GLY 31 HA2 GLY 31 40.331 -0.824 -4.790 213 HA3 GLY 31 HA1 GLY 31 41.380 0.263 -3.884 214 H TYR 32 HN TYR 32 38.556 -0.066 -2.153 215 HA TYR 32 HA TYR 32 39.779 -1.490 -0.055 216 HB2 TYR 32 HB2 TYR 32 37.947 0.097 0.316 217 HB3 TYR 32 HB1 TYR 32 36.843 -0.959 -0.564 218 HD1 TYR 32 HD1 TYR 32 39.239 -1.003 2.316 219 HD2 TYR 32 HD2 TYR 32 35.628 -2.581 0.608 220 HE1 TYR 32 HE1 TYR 32 38.813 -2.281 4.397 221 HE2 TYR 32 HE2 TYR 32 35.202 -3.859 2.690 222 HH TYR 32 HH TYR 32 36.389 -3.259 5.490 223 H GLY 33 HN GLY 33 39.917 -3.619 0.378 224 HA2 GLY 33 HA2 GLY 33 39.191 -5.542 -1.599 225 HA3 GLY 33 HA1 GLY 33 39.837 -5.895 0.000 226 H SER 34 HN SER 34 37.738 -7.336 -1.345 227 HA SER 34 HA SER 34 35.387 -6.643 0.303 228 HB2 SER 34 HB2 SER 34 34.089 -7.993 -1.265 229 HB3 SER 34 HB1 SER 34 34.997 -6.758 -2.132 230 HG SER 34 HG SER 34 35.031 -9.147 -2.805 231 H SER 35 HN SER 35 37.927 -8.909 -0.076 232 HA SER 35 HA SER 35 36.702 -11.237 0.939 233 HB2 SER 35 HB2 SER 35 38.928 -12.059 1.193 234 HB3 SER 35 HB1 SER 35 38.935 -11.037 -0.240 235 HG SER 35 HG SER 35 40.398 -10.804 1.958 236 H SER 36 HN SER 36 38.203 -8.448 2.475 237 HA SER 36 HA SER 36 38.372 -7.790 4.667 238 HB2 SER 36 HB2 SER 36 35.848 -9.448 4.896 239 HB3 SER 36 HB1 SER 36 36.402 -8.249 6.061 240 HG SER 36 HG SER 36 34.839 -7.703 4.193 241 H ARG 37 HN ARG 37 39.627 -10.358 3.809 242 HA ARG 37 HA ARG 37 40.078 -11.420 6.513 243 HB2 ARG 37 HB2 ARG 37 39.440 -13.067 4.060 244 HB3 ARG 37 HB1 ARG 37 40.142 -13.737 5.533 245 HG2 ARG 37 HG2 ARG 37 38.211 -12.921 6.832 246 HG3 ARG 37 HG1 ARG 37 37.507 -12.245 5.364 247 HD2 ARG 37 HD2 ARG 37 37.437 -14.497 4.357 248 HD3 ARG 37 HD1 ARG 37 38.133 -15.174 5.826 249 HE ARG 37 HE ARG 37 35.804 -13.732 6.504 250 HH11 ARG 37 HH11 ARG 37 36.802 -16.612 4.813 251 HH12 ARG 37 HH12 ARG 37 35.330 -17.458 5.139 252 HH21 ARG 37 HH21 ARG 37 33.890 -14.861 6.914 253 HH22 ARG 37 HH22 ARG 37 33.691 -16.476 6.321 254 H ARG 38 HN ARG 38 42.149 -12.228 6.877 255 HA ARG 38 HA ARG 38 44.435 -12.253 6.642 256 HB2 ARG 38 HB2 ARG 38 43.671 -12.925 3.791 257 HB3 ARG 38 HB1 ARG 38 45.271 -13.149 4.499 258 HG2 ARG 38 HG2 ARG 38 44.423 -14.745 6.094 259 HG3 ARG 38 HG1 ARG 38 42.758 -14.398 5.632 260 HD2 ARG 38 HD2 ARG 38 44.846 -15.557 3.768 261 HD3 ARG 38 HD1 ARG 38 43.632 -16.509 4.616 262 HE ARG 38 HE ARG 38 42.302 -14.477 3.208 263 HH11 ARG 38 HH11 ARG 38 44.233 -17.314 2.588 264 HH12 ARG 38 HH12 ARG 38 43.476 -17.642 1.069 265 HH21 ARG 38 HH21 ARG 38 41.332 -14.932 1.217 266 HH22 ARG 38 HH22 ARG 38 41.845 -16.305 0.295 267 H ALA 39 HN ALA 39 43.229 -9.705 6.474 268 HA ALA 39 HA ALA 39 44.262 -8.240 4.248 269 HB1 ALA 39 HB1 ALA 39 43.667 -6.821 6.795 270 HB2 ALA 39 HB2 ALA 39 42.339 -7.703 6.041 271 HB3 ALA 39 HB3 ALA 39 43.177 -6.437 5.144 272 HA PRO 40 HA PRO 40 48.355 -7.463 5.710 273 HB2 PRO 40 HB2 PRO 40 48.893 -5.030 4.616 274 HB3 PRO 40 HB1 PRO 40 48.731 -6.501 3.641 275 HG2 PRO 40 HG2 PRO 40 46.787 -4.295 4.073 276 HG3 PRO 40 HG1 PRO 40 47.131 -5.231 2.610 277 HD2 PRO 40 HD2 PRO 40 44.961 -5.695 4.274 278 HD3 PRO 40 HD1 PRO 40 45.666 -6.910 3.187 279 H GLN 41 HN GLN 41 46.822 -7.125 7.863 280 HA GLN 41 HA GLN 41 46.499 -5.981 9.835 281 HB2 GLN 41 HB2 GLN 41 49.248 -5.026 9.018 282 HB3 GLN 41 HB1 GLN 41 48.532 -4.699 10.598 283 HG2 GLN 41 HG2 GLN 41 48.354 -7.065 11.078 284 HG3 GLN 41 HG1 GLN 41 48.867 -7.480 9.443 285 HE21 GLN 41 HE21 GLN 41 50.248 -8.296 11.910 286 HE22 GLN 41 HE22 GLN 41 51.798 -7.605 11.850 287 H THR 42 HN THR 42 45.065 -4.803 7.860 288 HA THR 42 HA THR 42 45.155 -1.988 8.663 289 HB THR 42 HB THR 42 46.463 -2.177 6.541 290 HG1 THR 42 HG1 THR 42 45.625 -0.339 5.955 291 HG21 THR 42 HG21 THR 42 45.317 -2.783 4.488 292 HG22 THR 42 HG22 THR 42 43.800 -3.006 5.359 293 HG23 THR 42 HG23 THR 42 45.148 -4.107 5.640 294 H GLY 43 HN GLY 43 43.166 -0.878 8.327 295 HA2 GLY 43 HA2 GLY 43 40.875 -0.726 7.768 296 HA3 GLY 43 HA1 GLY 43 40.856 -2.459 7.459 297 H ILE 44 HN ILE 44 39.034 -0.862 9.114 298 HA ILE 44 HA ILE 44 39.603 -1.337 11.871 299 HB ILE 44 HB ILE 44 37.281 -0.684 12.247 300 HG12 ILE 44 HG12 ILE 44 37.012 -0.778 9.223 301 HG13 ILE 44 HG11 ILE 44 36.309 -1.958 10.327 302 HG21 ILE 44 HG21 ILE 44 37.365 1.521 11.162 303 HG22 ILE 44 HG22 ILE 44 38.570 0.923 10.022 304 HG23 ILE 44 HG23 ILE 44 38.968 1.058 11.734 305 HD11 ILE 44 HD11 ILE 44 35.681 1.000 10.247 306 HD12 ILE 44 HD12 ILE 44 35.050 -0.129 11.445 307 HD13 ILE 44 HD13 ILE 44 34.614 -0.310 9.745 308 H VAL 45 HN VAL 45 38.024 -3.147 9.321 309 HA VAL 45 HA VAL 45 36.718 -5.067 10.915 310 HB VAL 45 HB VAL 45 37.760 -5.166 8.085 311 HG11 VAL 45 HG11 VAL 45 37.758 -7.454 8.787 312 HG12 VAL 45 HG12 VAL 45 36.221 -7.217 7.953 313 HG13 VAL 45 HG13 VAL 45 36.272 -7.243 9.712 314 HG21 VAL 45 HG21 VAL 45 35.264 -5.120 7.652 315 HG22 VAL 45 HG22 VAL 45 35.895 -3.657 8.410 316 HG23 VAL 45 HG23 VAL 45 35.034 -4.852 9.379 317 H ASP 46 HN ASP 46 39.905 -5.115 9.363 318 HA ASP 46 HA ASP 46 40.641 -7.683 10.264 319 HB2 ASP 46 HB2 ASP 46 41.772 -6.454 8.421 320 HB3 ASP 46 HB1 ASP 46 42.455 -5.349 9.614 321 H GLU 47 HN GLU 47 41.173 -4.444 11.647 322 HA GLU 47 HA GLU 47 42.857 -5.237 13.746 323 HB2 GLU 47 HB2 GLU 47 42.509 -2.890 13.093 324 HB3 GLU 47 HB1 GLU 47 40.841 -2.974 13.659 325 HG2 GLU 47 HG2 GLU 47 42.271 -1.941 15.366 326 HG3 GLU 47 HG1 GLU 47 41.649 -3.484 15.944 327 H CYS 48 HN CYS 48 39.304 -4.756 13.773 328 HA CYS 48 HA CYS 48 38.998 -5.658 16.469 329 HB2 CYS 48 HB2 CYS 48 36.984 -5.375 14.232 330 HB3 CYS 48 HB1 CYS 48 36.586 -5.775 15.890 331 H CYS 49 HN CYS 49 38.632 -7.227 13.319 332 HA CYS 49 HA CYS 49 37.541 -9.641 14.227 333 HB2 CYS 49 HB2 CYS 49 37.551 -8.986 11.857 334 HB3 CYS 49 HB1 CYS 49 39.306 -9.162 11.814 335 H PHE 50 HN PHE 50 40.921 -8.719 13.633 336 HA PHE 50 HA PHE 50 41.855 -11.256 14.676 337 HB2 PHE 50 HB2 PHE 50 43.180 -8.832 13.498 338 HB3 PHE 50 HB1 PHE 50 44.134 -10.102 14.276 339 HD1 PHE 50 HD1 PHE 50 41.664 -9.379 11.599 340 HD2 PHE 50 HD2 PHE 50 44.511 -12.193 13.151 341 HE1 PHE 50 HE1 PHE 50 41.479 -10.702 9.516 342 HE2 PHE 50 HE2 PHE 50 44.330 -13.526 11.064 343 HZ PHE 50 HZ PHE 50 42.815 -12.780 9.247 344 H ARG 51 HN ARG 51 42.814 -7.906 15.418 345 HA ARG 51 HA ARG 51 43.555 -8.610 18.119 346 HB2 ARG 51 HB2 ARG 51 43.476 -5.966 16.653 347 HB3 ARG 51 HB1 ARG 51 44.050 -6.158 18.311 348 HG2 ARG 51 HG2 ARG 51 45.756 -7.758 17.548 349 HG3 ARG 51 HG1 ARG 51 45.173 -7.601 15.891 350 HD2 ARG 51 HD2 ARG 51 45.725 -5.193 15.929 351 HD3 ARG 51 HD1 ARG 51 46.316 -5.361 17.581 352 HE ARG 51 HE ARG 51 48.249 -6.339 16.742 353 HH11 ARG 51 HH11 ARG 51 45.775 -6.242 14.289 354 HH12 ARG 51 HH12 ARG 51 46.846 -6.733 13.022 355 HH21 ARG 51 HH21 ARG 51 49.626 -6.971 15.066 356 HH22 ARG 51 HH22 ARG 51 49.010 -7.142 13.457 357 H SER 52 HN SER 52 42.721 -7.359 19.995 358 HA SER 52 HA SER 52 39.803 -7.288 19.887 359 HB2 SER 52 HB2 SER 52 40.785 -8.459 21.761 360 HB3 SER 52 HB1 SER 52 41.774 -7.061 22.172 361 HG SER 52 HG SER 52 40.126 -6.559 23.379 362 H CYS 53 HN CYS 53 38.858 -5.442 19.288 363 HA CYS 53 HA CYS 53 40.161 -2.891 20.008 364 HB2 CYS 53 HB2 CYS 53 38.976 -1.888 18.175 365 HB3 CYS 53 HB1 CYS 53 39.711 -3.368 17.571 366 H ASP 54 HN ASP 54 39.141 -1.452 21.293 367 HA ASP 54 HA ASP 54 36.838 -2.324 22.771 368 HB2 ASP 54 HB2 ASP 54 38.833 -0.906 23.611 369 HB3 ASP 54 HB1 ASP 54 37.987 0.453 22.871 370 H LEU 55 HN LEU 55 34.817 -1.279 22.899 371 HA LEU 55 HA LEU 55 33.714 -0.498 20.414 372 HB2 LEU 55 HB2 LEU 55 32.668 -0.287 23.242 373 HB3 LEU 55 HB1 LEU 55 31.713 0.132 21.818 374 HG LEU 55 HG LEU 55 33.053 -2.560 22.178 375 HD11 LEU 55 HD11 LEU 55 31.324 -2.051 23.947 376 HD12 LEU 55 HD12 LEU 55 30.922 -3.425 22.915 377 HD13 LEU 55 HD13 LEU 55 30.142 -1.865 22.652 378 HD21 LEU 55 HD21 LEU 55 31.244 -3.154 20.460 379 HD22 LEU 55 HD22 LEU 55 32.555 -2.135 19.873 380 HD23 LEU 55 HD23 LEU 55 30.992 -1.418 20.271 381 H ARG 56 HN ARG 56 34.908 1.329 23.185 382 HA ARG 56 HA ARG 56 33.892 3.854 22.559 383 HB2 ARG 56 HB2 ARG 56 35.039 3.338 24.671 384 HB3 ARG 56 HB1 ARG 56 36.565 3.158 23.801 385 HG2 ARG 56 HG2 ARG 56 36.508 5.484 23.109 386 HG3 ARG 56 HG1 ARG 56 34.901 5.689 23.808 387 HD2 ARG 56 HD2 ARG 56 36.580 6.586 25.342 388 HD3 ARG 56 HD1 ARG 56 35.828 5.160 26.049 389 HE ARG 56 HE ARG 56 38.191 4.462 24.602 390 HH11 ARG 56 HH11 ARG 56 37.047 5.882 27.574 391 HH12 ARG 56 HH12 ARG 56 38.455 5.434 28.468 392 HH21 ARG 56 HH21 ARG 56 40.025 3.893 25.800 393 HH22 ARG 56 HH22 ARG 56 40.131 4.316 27.475 394 H ARG 57 HN ARG 57 36.991 2.382 21.582 395 HA ARG 57 HA ARG 57 37.686 4.603 19.893 396 HB2 ARG 57 HB2 ARG 57 39.562 3.203 19.181 397 HB3 ARG 57 HB1 ARG 57 39.408 3.173 20.938 398 HG2 ARG 57 HG2 ARG 57 38.279 1.030 20.858 399 HG3 ARG 57 HG1 ARG 57 38.244 1.063 19.095 400 HD2 ARG 57 HD2 ARG 57 40.779 1.092 20.746 401 HD3 ARG 57 HD1 ARG 57 40.084 -0.357 20.029 402 HE ARG 57 HE ARG 57 40.371 1.532 17.985 403 HH11 ARG 57 HH11 ARG 57 42.355 -0.291 20.196 404 HH12 ARG 57 HH12 ARG 57 43.707 -0.352 19.120 405 HH21 ARG 57 HH21 ARG 57 42.151 1.431 16.597 406 HH22 ARG 57 HH22 ARG 57 43.596 0.616 17.095 407 H LEU 58 HN LEU 58 35.839 1.704 19.543 408 HA LEU 58 HA LEU 58 36.076 1.342 16.756 409 HB2 LEU 58 HB2 LEU 58 35.100 -0.287 18.451 410 HB3 LEU 58 HB1 LEU 58 33.629 0.684 18.391 411 HG LEU 58 HG LEU 58 33.708 0.389 15.851 412 HD11 LEU 58 HD11 LEU 58 35.814 -1.595 16.727 413 HD12 LEU 58 HD12 LEU 58 35.964 -0.330 15.517 414 HD13 LEU 58 HD13 LEU 58 34.966 -1.741 15.191 415 HD21 LEU 58 HD21 LEU 58 33.281 -1.923 17.753 416 HD22 LEU 58 HD22 LEU 58 32.889 -2.035 16.037 417 HD23 LEU 58 HD23 LEU 58 32.066 -0.851 17.054 418 H ASP 59 HN ASP 59 33.908 3.283 18.745 419 HA ASP 59 HA ASP 59 32.120 4.107 16.739 420 HB2 ASP 59 HB2 ASP 59 31.815 4.388 19.225 421 HB3 ASP 59 HB1 ASP 59 32.955 5.731 19.146 422 H MET 60 HN MET 60 35.392 5.017 17.366 423 HA MET 60 HA MET 60 35.387 7.623 16.267 424 HB2 MET 60 HB2 MET 60 37.590 5.552 16.437 425 HB3 MET 60 HB1 MET 60 37.839 7.220 15.939 426 HG2 MET 60 HG2 MET 60 37.061 8.054 18.070 427 HG3 MET 60 HG1 MET 60 36.569 6.438 18.573 428 HE1 MET 60 HE1 MET 60 40.047 7.594 16.721 429 HE2 MET 60 HE2 MET 60 40.705 8.264 18.213 430 HE3 MET 60 HE3 MET 60 39.155 8.840 17.605 431 H TYR 61 HN TYR 61 35.411 4.441 14.830 432 HA TYR 61 HA TYR 61 36.203 5.333 12.191 433 HB2 TYR 61 HB2 TYR 61 34.779 2.750 12.833 434 HB3 TYR 61 HB1 TYR 61 35.869 3.105 11.507 435 HD1 TYR 61 HD1 TYR 61 35.869 1.143 14.227 436 HD2 TYR 61 HD2 TYR 61 38.098 4.473 12.675 437 HE1 TYR 61 HE1 TYR 61 37.850 0.436 15.547 438 HE2 TYR 61 HE2 TYR 61 40.074 3.768 13.993 439 HH TYR 61 HH TYR 61 40.983 1.916 15.098 440 H CYS 62 HN CYS 62 33.452 5.913 13.909 441 HA CYS 62 HA CYS 62 31.429 5.358 11.985 442 HB2 CYS 62 HB2 CYS 62 31.536 7.327 14.280 443 HB3 CYS 62 HB1 CYS 62 30.088 6.981 13.337 444 H ALA 63 HN ALA 63 30.388 6.815 10.569 445 HA ALA 63 HA ALA 63 32.103 8.621 9.230 446 HB1 ALA 63 HB1 ALA 63 30.491 8.643 7.590 447 HB2 ALA 63 HB2 ALA 63 29.162 8.682 8.749 448 HB3 ALA 63 HB3 ALA 63 30.008 7.170 8.428 449 HA PRO 64 HA PRO 64 31.351 12.570 11.005 450 HB2 PRO 64 HB2 PRO 64 30.112 13.474 8.446 451 HB3 PRO 64 HB1 PRO 64 31.484 14.159 9.339 452 HG2 PRO 64 HG2 PRO 64 31.843 12.770 7.101 453 HG3 PRO 64 HG1 PRO 64 32.983 12.665 8.454 454 HD2 PRO 64 HD2 PRO 64 30.931 10.672 7.572 455 HD3 PRO 64 HD1 PRO 64 32.523 10.416 8.312 456 H LEU 65 HN LEU 65 29.721 13.868 11.932 457 HA LEU 65 HA LEU 65 27.222 12.630 12.360 458 HB2 LEU 65 HB2 LEU 65 28.044 15.506 12.847 459 HB3 LEU 65 HB1 LEU 65 26.631 14.712 13.540 460 HG LEU 65 HG LEU 65 29.495 13.798 13.946 461 HD11 LEU 65 HD11 LEU 65 28.997 14.573 16.331 462 HD12 LEU 65 HD12 LEU 65 27.605 15.425 15.661 463 HD13 LEU 65 HD13 LEU 65 29.235 15.853 15.140 464 HD21 LEU 65 HD21 LEU 65 28.337 12.472 15.808 465 HD22 LEU 65 HD22 LEU 65 28.033 11.923 14.161 466 HD23 LEU 65 HD23 LEU 65 26.815 12.875 15.009 467 H LYS 66 HN LYS 66 25.192 13.041 11.581 468 HA LYS 66 HA LYS 66 25.016 13.956 8.901 469 HB2 LYS 66 HB2 LYS 66 22.629 13.506 9.111 470 HB3 LYS 66 HB1 LYS 66 23.541 12.212 9.883 471 HG2 LYS 66 HG2 LYS 66 23.185 13.266 12.083 472 HG3 LYS 66 HG1 LYS 66 22.280 14.569 11.316 473 HD2 LYS 66 HD2 LYS 66 20.628 12.944 10.482 474 HD3 LYS 66 HD1 LYS 66 21.528 11.634 11.244 475 HE2 LYS 66 HE2 LYS 66 21.185 12.671 13.452 476 HE3 LYS 66 HE1 LYS 66 20.293 13.991 12.696 477 HZ1 LYS 66 HZ1 LYS 66 19.530 11.156 12.960 478 HZ2 LYS 66 HZ2 LYS 66 18.850 12.122 11.740 479 HZ3 LYS 66 HZ3 LYS 66 18.643 12.541 13.374 480 HA PRO 67 HA PRO 67 24.205 18.263 9.516 481 HB2 PRO 67 HB2 PRO 67 22.572 18.831 7.410 482 HB3 PRO 67 HB1 PRO 67 24.306 18.498 7.227 483 HG2 PRO 67 HG2 PRO 67 21.974 16.703 6.764 484 HG3 PRO 67 HG1 PRO 67 23.466 16.882 5.826 485 HD2 PRO 67 HD2 PRO 67 23.066 14.831 7.593 486 HD3 PRO 67 HD1 PRO 67 24.675 15.482 7.216 487 H ALA 68 HN ALA 68 22.590 19.815 10.129 488 HA ALA 68 HA ALA 68 20.529 18.806 11.753 489 HB1 ALA 68 HB1 ALA 68 20.471 21.595 10.640 490 HB2 ALA 68 HB2 ALA 68 21.718 21.121 11.794 491 HB3 ALA 68 HB3 ALA 68 20.016 21.033 12.249 492 H LYS 69 HN LYS 69 20.523 20.048 8.454 493 HA LYS 69 HA LYS 69 17.752 20.223 8.060 494 HB2 LYS 69 HB2 LYS 69 19.388 21.139 6.474 495 HB3 LYS 69 HB1 LYS 69 19.905 19.505 6.055 496 HG2 LYS 69 HG2 LYS 69 17.742 18.971 5.139 497 HG3 LYS 69 HG1 LYS 69 17.052 20.475 5.751 498 HD2 LYS 69 HD2 LYS 69 17.505 20.804 3.407 499 HD3 LYS 69 HD1 LYS 69 18.716 21.716 4.307 500 HE2 LYS 69 HE2 LYS 69 20.329 19.876 4.023 501 HE3 LYS 69 HE1 LYS 69 19.117 18.945 3.142 502 HZ1 LYS 69 HZ1 LYS 69 20.377 21.502 2.335 503 HZ2 LYS 69 HZ2 LYS 69 18.993 20.876 1.573 504 HZ3 LYS 69 HZ3 LYS 69 20.454 20.008 1.537 505 H SER 70 HN SER 70 19.981 17.501 7.490 506 HA SER 70 HA SER 70 18.013 15.710 6.519 507 HB2 SER 70 HB2 SER 70 19.683 13.965 6.961 508 HB3 SER 70 HB1 SER 70 20.423 15.358 6.177 509 HG SER 70 HG SER 70 20.581 14.490 8.850 510 H ALA 71 HN ALA 71 19.207 16.449 9.752 511 HA ALA 71 HA ALA 71 18.054 14.336 11.173 512 HB1 ALA 71 HB1 ALA 71 19.659 16.079 12.062 513 HB2 ALA 71 HB2 ALA 71 18.308 15.694 13.129 514 HB3 ALA 71 HB3 ALA 71 18.285 17.178 12.176 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 30.326 -16.466 20.705 2 H2 GLY 1 HT2 GLY 1 29.886 -16.428 22.345 3 H3 GLY 1 HT3 GLY 1 28.720 -16.770 21.157 4 HA2 GLY 1 HA2 GLY 1 29.328 -18.809 22.231 5 HA3 GLY 1 HA1 GLY 1 29.939 -18.813 20.575 6 H GLY 2 HN GLY 2 31.810 -19.940 20.693 7 HA2 GLY 2 HA2 GLY 2 33.578 -20.017 22.882 8 HA3 GLY 2 HA1 GLY 2 33.986 -20.461 21.230 9 HA PRO 3 HA PRO 3 36.210 -16.660 20.809 10 HB2 PRO 3 HB2 PRO 3 35.498 -15.654 18.378 11 HB3 PRO 3 HB1 PRO 3 36.451 -17.136 18.566 12 HG2 PRO 3 HG2 PRO 3 33.616 -16.797 17.831 13 HG3 PRO 3 HG1 PRO 3 34.753 -18.090 17.412 14 HD2 PRO 3 HD2 PRO 3 32.760 -18.192 19.411 15 HD3 PRO 3 HD1 PRO 3 34.062 -19.369 19.159 16 H GLU 4 HN GLU 4 35.953 -14.854 21.950 17 HA GLU 4 HA GLU 4 33.388 -13.483 22.035 18 HB2 GLU 4 HB2 GLU 4 35.975 -13.051 23.539 19 HB3 GLU 4 HB1 GLU 4 34.531 -12.063 23.763 20 HG2 GLU 4 HG2 GLU 4 33.244 -14.035 24.421 21 HG3 GLU 4 HG1 GLU 4 34.640 -15.069 24.120 22 H THR 5 HN THR 5 35.970 -13.370 20.013 23 HA THR 5 HA THR 5 36.248 -10.514 19.732 24 HB THR 5 HB THR 5 37.663 -11.073 17.813 25 HG1 THR 5 HG1 THR 5 36.316 -12.882 17.174 26 HG21 THR 5 HG21 THR 5 38.189 -13.027 20.063 27 HG22 THR 5 HG22 THR 5 38.504 -11.297 20.188 28 HG23 THR 5 HG23 THR 5 39.377 -12.270 19.003 29 H LEU 6 HN LEU 6 35.804 -9.427 17.648 30 HA LEU 6 HA LEU 6 33.247 -10.384 16.508 31 HB2 LEU 6 HB2 LEU 6 34.356 -7.567 16.645 32 HB3 LEU 6 HB1 LEU 6 32.791 -8.031 15.978 33 HG LEU 6 HG LEU 6 33.639 -8.551 18.841 34 HD11 LEU 6 HD11 LEU 6 32.298 -6.670 19.476 35 HD12 LEU 6 HD12 LEU 6 31.667 -6.484 17.838 36 HD13 LEU 6 HD13 LEU 6 33.355 -6.104 18.181 37 HD21 LEU 6 HD21 LEU 6 31.965 -10.128 18.142 38 HD22 LEU 6 HD22 LEU 6 31.050 -8.875 17.302 39 HD23 LEU 6 HD23 LEU 6 31.122 -8.884 19.065 40 H CYS 7 HN CYS 7 33.279 -11.038 14.459 41 HA CYS 7 HA CYS 7 34.858 -9.708 12.453 42 HB2 CYS 7 HB2 CYS 7 36.511 -11.251 13.578 43 HB3 CYS 7 HB1 CYS 7 35.524 -12.601 13.022 44 H GLY 8 HN GLY 8 33.889 -9.909 10.508 45 HA2 GLY 8 HA2 GLY 8 32.777 -11.200 8.806 46 HA3 GLY 8 HA1 GLY 8 32.037 -12.167 10.080 47 H ALA 9 HN ALA 9 29.927 -11.828 9.412 48 HA ALA 9 HA ALA 9 28.789 -9.339 8.753 49 HB1 ALA 9 HB1 ALA 9 27.720 -12.000 9.582 50 HB2 ALA 9 HB2 ALA 9 27.420 -11.077 8.110 51 HB3 ALA 9 HB3 ALA 9 26.628 -10.614 9.617 52 H GLU 10 HN GLU 10 29.177 -11.015 11.841 53 HA GLU 10 HA GLU 10 27.530 -9.373 13.415 54 HB2 GLU 10 HB2 GLU 10 30.029 -10.936 14.080 55 HB3 GLU 10 HB1 GLU 10 29.050 -10.120 15.298 56 HG2 GLU 10 HG2 GLU 10 27.110 -11.448 14.714 57 HG3 GLU 10 HG1 GLU 10 27.961 -12.163 13.346 58 H LEU 11 HN LEU 11 30.979 -9.082 12.587 59 HA LEU 11 HA LEU 11 31.498 -6.803 14.166 60 HB2 LEU 11 HB2 LEU 11 33.297 -8.177 13.228 61 HB3 LEU 11 HB1 LEU 11 32.817 -7.716 11.595 62 HG LEU 11 HG LEU 11 33.291 -5.343 12.136 63 HD11 LEU 11 HD11 LEU 11 32.892 -5.245 14.488 64 HD12 LEU 11 HD12 LEU 11 34.623 -4.962 14.292 65 HD13 LEU 11 HD13 LEU 11 34.041 -6.544 14.809 66 HD21 LEU 11 HD21 LEU 11 35.815 -5.660 12.495 67 HD22 LEU 11 HD22 LEU 11 35.104 -6.486 11.111 68 HD23 LEU 11 HD23 LEU 11 35.474 -7.388 12.580 69 H VAL 12 HN VAL 12 30.585 -7.125 10.741 70 HA VAL 12 HA VAL 12 30.606 -4.386 10.135 71 HB VAL 12 HB VAL 12 29.174 -6.751 8.933 72 HG11 VAL 12 HG11 VAL 12 28.678 -5.116 7.020 73 HG12 VAL 12 HG12 VAL 12 29.055 -3.815 8.151 74 HG13 VAL 12 HG13 VAL 12 27.696 -4.893 8.470 75 HG21 VAL 12 HG21 VAL 12 30.778 -6.413 7.147 76 HG22 VAL 12 HG22 VAL 12 31.653 -6.453 8.677 77 HG23 VAL 12 HG23 VAL 12 31.342 -4.911 7.879 78 H ASP 13 HN ASP 13 28.020 -6.518 11.277 79 HA ASP 13 HA ASP 13 25.915 -4.654 11.207 80 HB2 ASP 13 HB2 ASP 13 26.377 -7.141 12.860 81 HB3 ASP 13 HB1 ASP 13 24.896 -6.192 12.964 82 H ALA 14 HN ALA 14 28.313 -5.442 13.689 83 HA ALA 14 HA ALA 14 27.233 -3.912 15.787 84 HB1 ALA 14 HB1 ALA 14 29.556 -3.913 16.684 85 HB2 ALA 14 HB2 ALA 14 30.110 -4.606 15.158 86 HB3 ALA 14 HB3 ALA 14 29.007 -5.516 16.193 87 H LEU 15 HN LEU 15 29.416 -3.053 13.133 88 HA LEU 15 HA LEU 15 30.043 -0.440 13.999 89 HB2 LEU 15 HB2 LEU 15 29.944 -1.711 11.261 90 HB3 LEU 15 HB1 LEU 15 30.476 -0.049 11.519 91 HG LEU 15 HG LEU 15 31.673 -2.390 13.016 92 HD11 LEU 15 HD11 LEU 15 33.474 -2.410 11.404 93 HD12 LEU 15 HD12 LEU 15 32.793 -1.025 10.552 94 HD13 LEU 15 HD13 LEU 15 31.963 -2.581 10.509 95 HD21 LEU 15 HD21 LEU 15 32.396 0.521 12.579 96 HD22 LEU 15 HD22 LEU 15 33.569 -0.656 13.168 97 HD23 LEU 15 HD23 LEU 15 32.120 -0.310 14.110 98 H GLN 16 HN GLN 16 27.412 -1.688 11.976 99 HA GLN 16 HA GLN 16 26.286 0.825 11.310 100 HB2 GLN 16 HB2 GLN 16 25.091 -1.943 11.472 101 HB3 GLN 16 HB1 GLN 16 24.203 -0.539 10.883 102 HG2 GLN 16 HG2 GLN 16 25.804 -0.194 9.101 103 HG3 GLN 16 HG1 GLN 16 26.858 -1.451 9.748 104 HE21 GLN 16 HE21 GLN 16 25.574 -1.396 7.061 105 HE22 GLN 16 HE22 GLN 16 24.608 -2.790 6.981 106 H PHE 17 HN PHE 17 25.747 -1.416 13.988 107 HA PHE 17 HA PHE 17 23.562 -0.014 15.144 108 HB2 PHE 17 HB2 PHE 17 23.861 -2.274 15.789 109 HB3 PHE 17 HB1 PHE 17 25.541 -2.001 16.254 110 HD1 PHE 17 HD1 PHE 17 22.003 -1.329 17.166 111 HD2 PHE 17 HD2 PHE 17 26.120 -1.030 18.375 112 HE1 PHE 17 HE1 PHE 17 21.284 -0.753 19.472 113 HE2 PHE 17 HE2 PHE 17 25.402 -0.464 20.680 114 HZ PHE 17 HZ PHE 17 22.983 -0.323 21.229 115 H VAL 18 HN VAL 18 27.031 -0.061 15.951 116 HA VAL 18 HA VAL 18 26.866 1.797 18.063 117 HB VAL 18 HB VAL 18 29.185 1.077 16.253 118 HG11 VAL 18 HG11 VAL 18 29.074 2.617 18.857 119 HG12 VAL 18 HG12 VAL 18 29.626 3.220 17.294 120 HG13 VAL 18 HG13 VAL 18 30.559 1.989 18.147 121 HG21 VAL 18 HG21 VAL 18 29.808 -0.471 17.965 122 HG22 VAL 18 HG22 VAL 18 28.084 -0.727 17.693 123 HG23 VAL 18 HG23 VAL 18 28.628 0.195 19.095 124 H CYS 19 HN CYS 19 27.815 2.243 14.653 125 HA CYS 19 HA CYS 19 28.123 5.077 14.886 126 HB2 CYS 19 HB2 CYS 19 27.744 3.307 12.457 127 HB3 CYS 19 HB1 CYS 19 28.184 5.008 12.406 128 H GLY 20 HN GLY 20 25.527 2.974 13.725 129 HA2 GLY 20 HA2 GLY 20 23.289 3.375 13.376 130 HA3 GLY 20 HA1 GLY 20 23.467 4.756 14.454 131 H ASP 21 HN ASP 21 22.599 6.468 13.461 132 HA ASP 21 HA ASP 21 22.320 6.806 10.688 133 HB2 ASP 21 HB2 ASP 21 22.265 8.777 12.974 134 HB3 ASP 21 HB1 ASP 21 21.931 9.242 11.307 135 H ARG 22 HN ARG 22 24.941 7.587 12.859 136 HA ARG 22 HA ARG 22 26.310 9.463 11.274 137 HB2 ARG 22 HB2 ARG 22 27.320 7.446 13.286 138 HB3 ARG 22 HB1 ARG 22 28.336 8.686 12.553 139 HG2 ARG 22 HG2 ARG 22 26.646 10.397 13.366 140 HG3 ARG 22 HG1 ARG 22 25.898 9.097 14.296 141 HD2 ARG 22 HD2 ARG 22 28.815 9.878 14.521 142 HD3 ARG 22 HD1 ARG 22 27.556 10.441 15.617 143 HE ARG 22 HE ARG 22 28.714 7.778 15.524 144 HH11 ARG 22 HH11 ARG 22 26.040 9.779 16.532 145 HH12 ARG 22 HH12 ARG 22 25.552 8.699 17.795 146 HH21 ARG 22 HH21 ARG 22 28.045 6.379 17.181 147 HH22 ARG 22 HH22 ARG 22 26.674 6.788 18.158 148 H GLY 23 HN GLY 23 26.366 5.922 11.307 149 HA2 GLY 23 HA2 GLY 23 27.003 4.439 9.652 150 HA3 GLY 23 HA1 GLY 23 27.260 5.814 8.582 151 H PHE 24 HN PHE 24 29.120 4.241 8.046 152 HA PHE 24 HA PHE 24 31.517 5.299 9.300 153 HB2 PHE 24 HB2 PHE 24 32.455 3.081 9.813 154 HB3 PHE 24 HB1 PHE 24 30.999 3.394 10.756 155 HD1 PHE 24 HD1 PHE 24 32.505 1.393 8.090 156 HD2 PHE 24 HD2 PHE 24 28.860 2.301 10.171 157 HE1 PHE 24 HE1 PHE 24 31.456 -0.642 7.144 158 HE2 PHE 24 HE2 PHE 24 27.815 0.266 9.227 159 HZ PHE 24 HZ PHE 24 29.110 -1.206 7.714 160 H TYR 25 HN TYR 25 33.496 4.539 8.157 161 HA TYR 25 HA TYR 25 32.995 3.527 5.444 162 HB2 TYR 25 HB2 TYR 25 34.194 5.325 4.391 163 HB3 TYR 25 HB1 TYR 25 32.942 6.047 5.401 164 HD1 TYR 25 HD1 TYR 25 36.549 5.469 5.001 165 HD2 TYR 25 HD2 TYR 25 33.507 7.192 7.497 166 HE1 TYR 25 HE1 TYR 25 38.284 6.714 6.247 167 HE2 TYR 25 HE2 TYR 25 35.245 8.449 8.744 168 HH TYR 25 HH TYR 25 37.909 7.989 9.151 169 H PHE 26 HN PHE 26 35.065 3.018 4.313 170 HA PHE 26 HA PHE 26 37.091 2.109 6.267 171 HB2 PHE 26 HB2 PHE 26 36.320 0.918 3.589 172 HB3 PHE 26 HB1 PHE 26 37.614 0.321 4.628 173 HD1 PHE 26 HD1 PHE 26 34.078 0.260 3.944 174 HD2 PHE 26 HD2 PHE 26 37.010 -0.404 7.012 175 HE1 PHE 26 HE1 PHE 26 32.426 -1.064 5.236 176 HE2 PHE 26 HE2 PHE 26 35.357 -1.724 8.304 177 HZ PHE 26 HZ PHE 26 33.068 -2.058 7.417 178 H ASN 27 HN ASN 27 39.249 2.415 5.827 179 HA ASN 27 HA ASN 27 39.898 4.651 4.153 180 HB2 ASN 27 HB2 ASN 27 41.593 2.752 5.779 181 HB3 ASN 27 HB1 ASN 27 42.259 4.102 4.863 182 HD21 ASN 27 HD21 ASN 27 42.462 3.986 7.723 183 HD22 ASN 27 HD22 ASN 27 41.516 5.237 8.370 184 H LYS 28 HN LYS 28 41.883 4.464 2.671 185 HA LYS 28 HA LYS 28 41.643 2.027 1.010 186 HB2 LYS 28 HB2 LYS 28 42.067 4.858 0.032 187 HB3 LYS 28 HB1 LYS 28 41.902 3.415 -0.967 188 HG2 LYS 28 HG2 LYS 28 39.769 4.402 0.948 189 HG3 LYS 28 HG1 LYS 28 39.781 4.747 -0.780 190 HD2 LYS 28 HD2 LYS 28 39.737 2.321 -1.262 191 HD3 LYS 28 HD1 LYS 28 39.697 1.983 0.468 192 HE2 LYS 28 HE2 LYS 28 37.586 3.214 0.675 193 HE3 LYS 28 HE1 LYS 28 37.615 3.571 -1.051 194 HZ1 LYS 28 HZ1 LYS 28 36.250 1.588 -0.324 195 HZ2 LYS 28 HZ2 LYS 28 37.724 0.802 -0.012 196 HZ3 LYS 28 HZ3 LYS 28 37.351 1.320 -1.586 197 HA PRO 29 HA PRO 29 46.055 2.703 2.352 198 HB2 PRO 29 HB2 PRO 29 46.488 0.038 2.878 199 HB3 PRO 29 HB1 PRO 29 45.897 1.199 4.081 200 HG2 PRO 29 HG2 PRO 29 44.386 -0.782 2.455 201 HG3 PRO 29 HG1 PRO 29 44.183 -0.327 4.156 202 HD2 PRO 29 HD2 PRO 29 42.547 0.607 2.213 203 HD3 PRO 29 HD1 PRO 29 42.965 1.582 3.639 204 H THR 30 HN THR 30 44.384 0.723 0.060 205 HA THR 30 HA THR 30 46.651 -0.366 -1.286 206 HB THR 30 HB THR 30 45.057 -0.907 -3.071 207 HG1 THR 30 HG1 THR 30 43.720 0.772 -3.224 208 HG21 THR 30 HG21 THR 30 45.113 -2.298 -1.020 209 HG22 THR 30 HG22 THR 30 43.503 -2.254 -1.737 210 HG23 THR 30 HG23 THR 30 43.859 -1.279 -0.313 211 H GLY 31 HN GLY 31 45.321 2.776 -1.154 212 HA2 GLY 31 HA2 GLY 31 46.818 3.536 -3.586 213 HA3 GLY 31 HA1 GLY 31 45.297 4.298 -3.127 214 H TYR 32 HN TYR 32 45.618 4.643 -0.420 215 HA TYR 32 HA TYR 32 48.141 6.010 0.049 216 HB2 TYR 32 HB2 TYR 32 47.130 8.171 0.521 217 HB3 TYR 32 HB1 TYR 32 46.744 7.695 -1.132 218 HD1 TYR 32 HD1 TYR 32 45.423 8.190 2.264 219 HD2 TYR 32 HD2 TYR 32 44.487 6.951 -1.742 220 HE1 TYR 32 HE1 TYR 32 43.002 8.340 2.782 221 HE2 TYR 32 HE2 TYR 32 42.068 7.102 -1.223 222 HH TYR 32 HH TYR 32 40.687 8.606 0.679 223 H GLY 33 HN GLY 33 48.327 6.800 2.287 224 HA2 GLY 33 HA2 GLY 33 47.743 6.796 4.566 225 HA3 GLY 33 HA1 GLY 33 46.350 5.788 4.186 226 H SER 34 HN SER 34 48.713 4.324 2.517 227 HA SER 34 HA SER 34 49.317 2.479 4.727 228 HB2 SER 34 HB2 SER 34 49.736 0.820 2.994 229 HB3 SER 34 HB1 SER 34 48.155 1.551 2.742 230 HG SER 34 HG SER 34 50.567 2.347 1.469 231 H SER 35 HN SER 35 50.706 5.035 3.126 232 HA SER 35 HA SER 35 53.313 4.087 2.584 233 HB2 SER 35 HB2 SER 35 53.884 6.366 2.306 234 HB3 SER 35 HB1 SER 35 52.201 6.246 1.796 235 HG SER 35 HG SER 35 51.701 6.848 4.036 236 H SER 36 HN SER 36 51.656 4.849 5.514 237 HA SER 36 HA SER 36 54.103 5.288 7.031 238 HB2 SER 36 HB2 SER 36 52.135 6.582 7.648 239 HB3 SER 36 HB1 SER 36 51.197 5.107 7.867 240 HG SER 36 HG SER 36 53.261 6.192 9.426 241 H ARG 37 HN ARG 37 55.284 3.462 7.215 242 HA ARG 37 HA ARG 37 54.210 0.843 7.450 243 HB2 ARG 37 HB2 ARG 37 56.483 1.259 6.627 244 HB3 ARG 37 HB1 ARG 37 56.952 1.871 8.215 245 HG2 ARG 37 HG2 ARG 37 56.448 -0.302 9.231 246 HG3 ARG 37 HG1 ARG 37 55.904 -0.924 7.672 247 HD2 ARG 37 HD2 ARG 37 58.146 -0.574 6.736 248 HD3 ARG 37 HD1 ARG 37 58.697 0.086 8.272 249 HE ARG 37 HE ARG 37 57.635 -2.479 8.738 250 HH11 ARG 37 HH11 ARG 37 60.291 -0.914 7.118 251 HH12 ARG 37 HH12 ARG 37 61.362 -2.261 7.307 252 HH21 ARG 37 HH21 ARG 37 59.053 -4.234 8.976 253 HH22 ARG 37 HH22 ARG 37 60.666 -4.130 8.352 254 H ARG 38 HN ARG 38 55.329 3.220 9.808 255 HA ARG 38 HA ARG 38 55.242 1.574 12.093 256 HB2 ARG 38 HB2 ARG 38 54.905 4.560 11.763 257 HB3 ARG 38 HB1 ARG 38 55.006 3.758 13.331 258 HG2 ARG 38 HG2 ARG 38 57.212 2.911 12.835 259 HG3 ARG 38 HG1 ARG 38 57.109 3.480 11.168 260 HD2 ARG 38 HD2 ARG 38 56.983 5.292 13.589 261 HD3 ARG 38 HD1 ARG 38 58.450 4.982 12.666 262 HE ARG 38 HE ARG 38 56.514 5.813 10.840 263 HH11 ARG 38 HH11 ARG 38 58.167 7.045 13.648 264 HH12 ARG 38 HH12 ARG 38 58.087 8.693 13.124 265 HH21 ARG 38 HH21 ARG 38 56.418 7.979 10.173 266 HH22 ARG 38 HH22 ARG 38 57.103 9.219 11.169 267 H ALA 39 HN ALA 39 52.747 3.182 10.278 268 HA ALA 39 HA ALA 39 50.756 2.206 12.236 269 HB1 ALA 39 HB1 ALA 39 50.568 4.517 12.451 270 HB2 ALA 39 HB2 ALA 39 49.340 4.146 11.242 271 HB3 ALA 39 HB3 ALA 39 50.898 4.803 10.742 272 HA PRO 40 HA PRO 40 49.906 0.297 8.105 273 HB2 PRO 40 HB2 PRO 40 49.668 -2.265 9.005 274 HB3 PRO 40 HB1 PRO 40 51.226 -1.539 8.573 275 HG2 PRO 40 HG2 PRO 40 50.038 -2.022 11.249 276 HG3 PRO 40 HG1 PRO 40 51.729 -2.107 10.725 277 HD2 PRO 40 HD2 PRO 40 50.618 0.026 12.114 278 HD3 PRO 40 HD1 PRO 40 52.091 0.120 11.126 279 H GLN 41 HN GLN 41 47.924 1.678 8.735 280 HA GLN 41 HA GLN 41 45.763 0.324 10.085 281 HB2 GLN 41 HB2 GLN 41 45.847 2.900 8.497 282 HB3 GLN 41 HB1 GLN 41 44.445 2.322 9.401 283 HG2 GLN 41 HG2 GLN 41 45.790 2.324 11.476 284 HG3 GLN 41 HG1 GLN 41 47.175 2.933 10.571 285 HE21 GLN 41 HE21 GLN 41 47.405 5.133 10.971 286 HE22 GLN 41 HE22 GLN 41 46.123 6.241 11.079 287 H THR 42 HN THR 42 45.910 -1.584 8.616 288 HA THR 42 HA THR 42 45.247 -1.486 5.887 289 HB THR 42 HB THR 42 44.680 -3.675 7.899 290 HG1 THR 42 HG1 THR 42 46.853 -3.252 7.790 291 HG21 THR 42 HG21 THR 42 43.368 -4.090 5.942 292 HG22 THR 42 HG22 THR 42 44.806 -5.103 5.797 293 HG23 THR 42 HG23 THR 42 44.688 -3.603 4.876 294 H GLY 43 HN GLY 43 43.190 -1.915 8.743 295 HA2 GLY 43 HA2 GLY 43 41.018 -0.450 7.789 296 HA3 GLY 43 HA1 GLY 43 40.734 -2.127 7.336 297 H ILE 44 HN ILE 44 39.079 -0.696 9.115 298 HA ILE 44 HA ILE 44 39.719 -1.251 11.840 299 HB ILE 44 HB ILE 44 37.432 -0.598 12.310 300 HG12 ILE 44 HG12 ILE 44 37.006 -0.731 9.303 301 HG13 ILE 44 HG11 ILE 44 36.369 -1.895 10.464 302 HG21 ILE 44 HG21 ILE 44 37.440 1.607 11.286 303 HG22 ILE 44 HG22 ILE 44 38.501 1.044 9.996 304 HG23 ILE 44 HG23 ILE 44 39.104 1.150 11.650 305 HD11 ILE 44 HD11 ILE 44 35.723 1.061 10.363 306 HD12 ILE 44 HD12 ILE 44 35.158 -0.055 11.607 307 HD13 ILE 44 HD13 ILE 44 34.644 -0.266 9.933 308 H VAL 45 HN VAL 45 38.147 -3.015 9.269 309 HA VAL 45 HA VAL 45 36.844 -4.976 10.828 310 HB VAL 45 HB VAL 45 37.890 -5.011 7.999 311 HG11 VAL 45 HG11 VAL 45 37.886 -7.313 8.701 312 HG12 VAL 45 HG12 VAL 45 36.394 -7.058 7.795 313 HG13 VAL 45 HG13 VAL 45 36.356 -7.109 9.556 314 HG21 VAL 45 HG21 VAL 45 35.055 -4.998 9.068 315 HG22 VAL 45 HG22 VAL 45 35.580 -4.692 7.413 316 HG23 VAL 45 HG23 VAL 45 35.940 -3.523 8.683 317 H ASP 46 HN ASP 46 40.033 -4.963 9.267 318 HA ASP 46 HA ASP 46 40.794 -7.544 10.136 319 HB2 ASP 46 HB2 ASP 46 42.403 -5.134 9.284 320 HB3 ASP 46 HB1 ASP 46 43.135 -6.690 9.679 321 H GLU 47 HN GLU 47 41.201 -4.321 11.565 322 HA GLU 47 HA GLU 47 42.958 -5.059 13.631 323 HB2 GLU 47 HB2 GLU 47 42.493 -2.727 13.032 324 HB3 GLU 47 HB1 GLU 47 40.834 -2.906 13.603 325 HG2 GLU 47 HG2 GLU 47 41.638 -3.380 15.871 326 HG3 GLU 47 HG1 GLU 47 43.308 -3.261 15.317 327 H CYS 48 HN CYS 48 39.401 -4.727 13.698 328 HA CYS 48 HA CYS 48 39.139 -5.713 16.374 329 HB2 CYS 48 HB2 CYS 48 37.121 -5.415 14.139 330 HB3 CYS 48 HB1 CYS 48 36.731 -5.893 15.788 331 H CYS 49 HN CYS 49 38.823 -7.179 13.162 332 HA CYS 49 HA CYS 49 37.828 -9.676 13.972 333 HB2 CYS 49 HB2 CYS 49 37.816 -8.926 11.629 334 HB3 CYS 49 HB1 CYS 49 39.576 -9.023 11.587 335 H PHE 50 HN PHE 50 41.175 -8.601 13.405 336 HA PHE 50 HA PHE 50 42.207 -11.139 14.345 337 HB2 PHE 50 HB2 PHE 50 43.462 -8.611 13.289 338 HB3 PHE 50 HB1 PHE 50 44.446 -9.899 13.995 339 HD1 PHE 50 HD1 PHE 50 41.940 -9.118 11.357 340 HD2 PHE 50 HD2 PHE 50 44.908 -11.889 12.760 341 HE1 PHE 50 HE1 PHE 50 41.801 -10.339 9.207 342 HE2 PHE 50 HE2 PHE 50 44.772 -13.116 10.608 343 HZ PHE 50 HZ PHE 50 43.221 -12.344 8.832 344 H ARG 51 HN ARG 51 43.080 -7.794 15.225 345 HA ARG 51 HA ARG 51 43.804 -8.599 17.903 346 HB2 ARG 51 HB2 ARG 51 43.668 -5.860 16.622 347 HB3 ARG 51 HB1 ARG 51 44.355 -6.213 18.207 348 HG2 ARG 51 HG2 ARG 51 46.065 -7.606 17.248 349 HG3 ARG 51 HG1 ARG 51 45.301 -7.546 15.658 350 HD2 ARG 51 HD2 ARG 51 46.403 -5.141 17.132 351 HD3 ARG 51 HD1 ARG 51 47.252 -6.004 15.854 352 HE ARG 51 HE ARG 51 44.737 -5.280 14.856 353 HH11 ARG 51 HH11 ARG 51 47.663 -3.790 16.015 354 HH12 ARG 51 HH12 ARG 51 47.490 -2.386 15.016 355 HH21 ARG 51 HH21 ARG 51 44.528 -3.432 13.557 356 HH22 ARG 51 HH22 ARG 51 45.726 -2.183 13.633 357 H SER 52 HN SER 52 42.944 -7.369 19.808 358 HA SER 52 HA SER 52 40.026 -7.372 19.695 359 HB2 SER 52 HB2 SER 52 41.025 -8.549 21.553 360 HB3 SER 52 HB1 SER 52 41.988 -7.139 21.986 361 HG SER 52 HG SER 52 39.577 -7.752 22.817 362 H CYS 53 HN CYS 53 38.934 -5.559 19.307 363 HA CYS 53 HA CYS 53 40.192 -2.978 20.018 364 HB2 CYS 53 HB2 CYS 53 38.941 -1.978 18.213 365 HB3 CYS 53 HB1 CYS 53 39.765 -3.398 17.576 366 H ASP 54 HN ASP 54 39.149 -1.642 21.379 367 HA ASP 54 HA ASP 54 36.902 -2.617 22.860 368 HB2 ASP 54 HB2 ASP 54 38.381 0.014 22.861 369 HB3 ASP 54 HB1 ASP 54 37.015 -0.320 23.927 370 H LEU 55 HN LEU 55 34.839 -1.595 23.073 371 HA LEU 55 HA LEU 55 33.582 -0.999 20.616 372 HB2 LEU 55 HB2 LEU 55 32.710 -0.582 23.483 373 HB3 LEU 55 HB1 LEU 55 31.663 -0.271 22.097 374 HG LEU 55 HG LEU 55 33.052 -2.924 22.543 375 HD11 LEU 55 HD11 LEU 55 31.531 -2.485 24.425 376 HD12 LEU 55 HD12 LEU 55 30.856 -3.727 23.371 377 HD13 LEU 55 HD13 LEU 55 30.236 -2.078 23.298 378 HD21 LEU 55 HD21 LEU 55 31.098 -3.626 21.013 379 HD22 LEU 55 HD22 LEU 55 32.383 -2.678 20.265 380 HD23 LEU 55 HD23 LEU 55 30.863 -1.901 20.713 381 H ARG 56 HN ARG 56 34.793 1.067 23.227 382 HA ARG 56 HA ARG 56 33.761 3.517 22.312 383 HB2 ARG 56 HB2 ARG 56 34.760 3.234 24.539 384 HB3 ARG 56 HB1 ARG 56 36.342 2.984 23.801 385 HG2 ARG 56 HG2 ARG 56 36.266 5.234 22.821 386 HG3 ARG 56 HG1 ARG 56 34.660 5.489 23.506 387 HD2 ARG 56 HD2 ARG 56 35.553 5.264 25.768 388 HD3 ARG 56 HD1 ARG 56 37.153 4.913 25.124 389 HE ARG 56 HE ARG 56 36.306 7.392 24.093 390 HH11 ARG 56 HH11 ARG 56 37.197 5.886 27.104 391 HH12 ARG 56 HH12 ARG 56 37.798 7.352 27.801 392 HH21 ARG 56 HH21 ARG 56 37.101 9.302 25.024 393 HH22 ARG 56 HH22 ARG 56 37.745 9.274 26.631 394 H ARG 57 HN ARG 57 36.881 1.918 21.622 395 HA ARG 57 HA ARG 57 37.905 3.937 19.943 396 HB2 ARG 57 HB2 ARG 57 39.295 2.144 20.961 397 HB3 ARG 57 HB1 ARG 57 38.517 0.970 19.902 398 HG2 ARG 57 HG2 ARG 57 39.359 2.045 17.950 399 HG3 ARG 57 HG1 ARG 57 39.964 3.403 18.897 400 HD2 ARG 57 HD2 ARG 57 41.642 2.087 19.928 401 HD3 ARG 57 HD1 ARG 57 40.885 0.579 19.420 402 HE ARG 57 HE ARG 57 41.452 1.821 17.080 403 HH11 ARG 57 HH11 ARG 57 43.278 1.018 19.935 404 HH12 ARG 57 HH12 ARG 57 44.774 0.818 19.084 405 HH21 ARG 57 HH21 ARG 57 43.454 1.548 15.969 406 HH22 ARG 57 HH22 ARG 57 44.873 1.114 16.863 407 H LEU 58 HN LEU 58 35.919 1.082 19.342 408 HA LEU 58 HA LEU 58 36.020 1.085 16.549 409 HB2 LEU 58 HB2 LEU 58 35.046 -0.708 18.058 410 HB3 LEU 58 HB1 LEU 58 33.598 0.297 18.161 411 HG LEU 58 HG LEU 58 33.721 0.324 15.555 412 HD11 LEU 58 HD11 LEU 58 36.039 -0.823 15.684 413 HD12 LEU 58 HD12 LEU 58 34.891 -1.459 14.511 414 HD13 LEU 58 HD13 LEU 58 35.145 -2.299 16.038 415 HD21 LEU 58 HD21 LEU 58 31.918 -0.777 16.729 416 HD22 LEU 58 HD22 LEU 58 32.971 -2.118 17.182 417 HD23 LEU 58 HD23 LEU 58 32.512 -1.890 15.495 418 H ASP 59 HN ASP 59 34.029 2.907 18.795 419 HA ASP 59 HA ASP 59 32.116 3.916 17.012 420 HB2 ASP 59 HB2 ASP 59 32.089 4.112 19.526 421 HB3 ASP 59 HB1 ASP 59 33.277 5.405 19.368 422 H MET 60 HN MET 60 35.407 4.973 17.727 423 HA MET 60 HA MET 60 35.308 7.485 16.464 424 HB2 MET 60 HB2 MET 60 37.569 5.555 16.946 425 HB3 MET 60 HB1 MET 60 37.815 7.132 16.193 426 HG2 MET 60 HG2 MET 60 36.606 8.135 18.204 427 HG3 MET 60 HG1 MET 60 36.742 6.548 18.961 428 HE1 MET 60 HE1 MET 60 40.455 5.812 18.947 429 HE2 MET 60 HE2 MET 60 38.846 5.216 18.546 430 HE3 MET 60 HE3 MET 60 39.202 5.730 20.191 431 H TYR 61 HN TYR 61 35.274 4.318 15.135 432 HA TYR 61 HA TYR 61 36.351 5.002 12.549 433 HB2 TYR 61 HB2 TYR 61 34.640 2.653 13.400 434 HB3 TYR 61 HB1 TYR 61 35.550 2.781 11.899 435 HD1 TYR 61 HD1 TYR 61 35.908 0.584 13.979 436 HD2 TYR 61 HD2 TYR 61 37.887 4.360 13.444 437 HE1 TYR 61 HE1 TYR 61 37.915 -0.301 15.127 438 HE2 TYR 61 HE2 TYR 61 39.887 3.480 14.584 439 HH TYR 61 HH TYR 61 40.871 1.019 14.920 440 H CYS 62 HN CYS 62 33.407 5.626 14.101 441 HA CYS 62 HA CYS 62 31.628 5.428 11.899 442 HB2 CYS 62 HB2 CYS 62 31.496 7.191 14.358 443 HB3 CYS 62 HB1 CYS 62 30.156 6.850 13.265 444 H ALA 63 HN ALA 63 30.887 7.034 10.490 445 HA ALA 63 HA ALA 63 32.805 8.913 9.624 446 HB1 ALA 63 HB1 ALA 63 29.950 9.179 8.791 447 HB2 ALA 63 HB2 ALA 63 30.792 7.686 8.374 448 HB3 ALA 63 HB3 ALA 63 31.417 9.235 7.815 449 HA PRO 64 HA PRO 64 31.660 12.437 12.012 450 HB2 PRO 64 HB2 PRO 64 32.287 14.470 10.318 451 HB3 PRO 64 HB1 PRO 64 33.516 13.456 11.100 452 HG2 PRO 64 HG2 PRO 64 32.466 13.356 8.320 453 HG3 PRO 64 HG1 PRO 64 34.112 13.092 8.920 454 HD2 PRO 64 HD2 PRO 64 32.363 11.053 8.244 455 HD3 PRO 64 HD1 PRO 64 33.725 10.859 9.367 456 H LEU 65 HN LEU 65 30.079 14.074 12.301 457 HA LEU 65 HA LEU 65 27.899 14.026 10.301 458 HB2 LEU 65 HB2 LEU 65 26.444 14.654 12.300 459 HB3 LEU 65 HB1 LEU 65 27.074 13.007 12.285 460 HG LEU 65 HG LEU 65 28.880 14.946 13.559 461 HD11 LEU 65 HD11 LEU 65 26.552 15.785 14.172 462 HD12 LEU 65 HD12 LEU 65 27.578 15.330 15.533 463 HD13 LEU 65 HD13 LEU 65 26.305 14.239 14.983 464 HD21 LEU 65 HD21 LEU 65 27.627 12.402 14.621 465 HD22 LEU 65 HD22 LEU 65 29.137 13.152 15.138 466 HD23 LEU 65 HD23 LEU 65 29.024 12.405 13.544 467 H LYS 66 HN LYS 66 30.236 15.808 10.384 468 HA LYS 66 HA LYS 66 29.425 18.336 11.411 469 HB2 LYS 66 HB2 LYS 66 31.552 17.565 9.403 470 HB3 LYS 66 HB1 LYS 66 31.319 19.208 10.008 471 HG2 LYS 66 HG2 LYS 66 31.683 18.441 12.306 472 HG3 LYS 66 HG1 LYS 66 31.862 16.779 11.738 473 HD2 LYS 66 HD2 LYS 66 33.821 17.435 10.401 474 HD3 LYS 66 HD1 LYS 66 33.645 19.103 10.948 475 HE2 LYS 66 HE2 LYS 66 33.994 18.394 13.275 476 HE3 LYS 66 HE1 LYS 66 34.136 16.715 12.753 477 HZ1 LYS 66 HZ1 LYS 66 35.901 18.906 11.808 478 HZ2 LYS 66 HZ2 LYS 66 36.079 17.242 11.505 479 HZ3 LYS 66 HZ3 LYS 66 36.293 17.850 13.077 480 HA PRO 67 HA PRO 67 26.797 20.027 8.310 481 HB2 PRO 67 HB2 PRO 67 28.677 22.335 8.072 482 HB3 PRO 67 HB1 PRO 67 26.943 22.326 8.451 483 HG2 PRO 67 HG2 PRO 67 28.737 22.784 10.341 484 HG3 PRO 67 HG1 PRO 67 27.294 21.810 10.672 485 HD2 PRO 67 HD2 PRO 67 30.116 20.909 10.233 486 HD3 PRO 67 HD1 PRO 67 28.885 20.280 11.349 487 H ALA 68 HN ALA 68 26.570 19.940 6.105 488 HA ALA 68 HA ALA 68 28.638 18.834 4.524 489 HB1 ALA 68 HB1 ALA 68 26.017 18.834 4.228 490 HB2 ALA 68 HB2 ALA 68 27.074 18.741 2.821 491 HB3 ALA 68 HB3 ALA 68 26.337 20.279 3.269 492 H LYS 69 HN LYS 69 29.985 19.714 2.999 493 HA LYS 69 HA LYS 69 30.899 22.344 3.400 494 HB2 LYS 69 HB2 LYS 69 32.315 20.573 2.454 495 HB3 LYS 69 HB1 LYS 69 31.310 20.531 1.006 496 HG2 LYS 69 HG2 LYS 69 33.276 21.891 0.551 497 HG3 LYS 69 HG1 LYS 69 31.866 22.947 0.615 498 HD2 LYS 69 HD2 LYS 69 32.403 23.623 2.885 499 HD3 LYS 69 HD1 LYS 69 33.721 22.454 2.961 500 HE2 LYS 69 HE2 LYS 69 34.889 23.639 1.153 501 HE3 LYS 69 HE1 LYS 69 33.563 24.796 1.045 502 HZ1 LYS 69 HZ1 LYS 69 33.996 25.227 3.484 503 HZ2 LYS 69 HZ2 LYS 69 35.164 25.806 2.394 504 HZ3 LYS 69 HZ3 LYS 69 35.456 24.387 3.281 505 H SER 70 HN SER 70 28.799 20.948 0.907 506 HA SER 70 HA SER 70 27.627 23.570 0.423 507 HB2 SER 70 HB2 SER 70 28.037 23.540 -1.976 508 HB3 SER 70 HB1 SER 70 29.575 23.486 -1.118 509 HG SER 70 HG SER 70 28.799 21.838 -2.933 510 H ALA 71 HN ALA 71 25.726 23.427 -1.008 511 HA ALA 71 HA ALA 71 24.637 20.879 -1.726 512 HB1 ALA 71 HB1 ALA 71 23.212 22.251 0.553 513 HB2 ALA 71 HB2 ALA 71 24.393 20.968 0.824 514 HB3 ALA 71 HB3 ALA 71 22.929 20.638 -0.104 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 42.015 -16.436 13.226 2 H2 GLY 1 HT2 GLY 1 43.463 -16.578 14.103 3 H3 GLY 1 HT3 GLY 1 43.201 -15.230 13.103 4 HA2 GLY 1 HA2 GLY 1 42.870 -14.562 15.363 5 HA3 GLY 1 HA1 GLY 1 41.317 -14.572 14.527 6 H GLY 2 HN GLY 2 39.718 -15.534 15.603 7 HA2 GLY 2 HA2 GLY 2 39.840 -18.110 16.735 8 HA3 GLY 2 HA1 GLY 2 40.042 -16.926 18.022 9 HA PRO 3 HA PRO 3 35.497 -17.427 17.095 10 HB2 PRO 3 HB2 PRO 3 34.737 -18.712 19.361 11 HB3 PRO 3 HB1 PRO 3 35.353 -19.576 17.938 12 HG2 PRO 3 HG2 PRO 3 36.699 -18.942 20.499 13 HG3 PRO 3 HG1 PRO 3 36.880 -20.346 19.436 14 HD2 PRO 3 HD2 PRO 3 38.625 -18.160 19.551 15 HD3 PRO 3 HD1 PRO 3 38.565 -19.358 18.242 16 H GLU 4 HN GLU 4 33.662 -16.625 18.476 17 HA GLU 4 HA GLU 4 32.680 -14.927 19.669 18 HB2 GLU 4 HB2 GLU 4 35.151 -15.187 21.402 19 HB3 GLU 4 HB1 GLU 4 33.643 -14.392 21.852 20 HG2 GLU 4 HG2 GLU 4 33.864 -17.311 21.069 21 HG3 GLU 4 HG1 GLU 4 33.826 -16.730 22.733 22 H THR 5 HN THR 5 34.054 -14.140 17.409 23 HA THR 5 HA THR 5 35.123 -11.513 18.241 24 HB THR 5 HB THR 5 36.695 -11.607 16.351 25 HG1 THR 5 HG1 THR 5 35.520 -13.025 15.038 26 HG21 THR 5 HG21 THR 5 37.225 -12.548 18.686 27 HG22 THR 5 HG22 THR 5 38.270 -13.062 17.363 28 HG23 THR 5 HG23 THR 5 37.010 -14.140 17.959 29 H LEU 6 HN LEU 6 34.937 -9.846 16.546 30 HA LEU 6 HA LEU 6 32.389 -10.165 15.106 31 HB2 LEU 6 HB2 LEU 6 33.984 -7.656 15.683 32 HB3 LEU 6 HB1 LEU 6 32.351 -7.732 15.023 33 HG LEU 6 HG LEU 6 33.167 -8.796 17.743 34 HD11 LEU 6 HD11 LEU 6 32.135 -6.866 18.690 35 HD12 LEU 6 HD12 LEU 6 31.440 -6.384 17.142 36 HD13 LEU 6 HD13 LEU 6 33.180 -6.253 17.408 37 HD21 LEU 6 HD21 LEU 6 30.512 -8.561 16.298 38 HD22 LEU 6 HD22 LEU 6 30.643 -8.858 18.031 39 HD23 LEU 6 HD23 LEU 6 31.285 -10.034 16.886 40 H CYS 7 HN CYS 7 32.935 -11.174 13.205 41 HA CYS 7 HA CYS 7 34.710 -9.643 11.408 42 HB2 CYS 7 HB2 CYS 7 34.562 -12.657 11.649 43 HB3 CYS 7 HB1 CYS 7 35.516 -11.766 10.465 44 H GLY 8 HN GLY 8 34.157 -9.715 9.191 45 HA2 GLY 8 HA2 GLY 8 32.709 -9.739 7.401 46 HA3 GLY 8 HA1 GLY 8 32.094 -11.250 8.061 47 H ALA 9 HN ALA 9 29.969 -11.172 8.252 48 HA ALA 9 HA ALA 9 28.405 -8.839 8.300 49 HB1 ALA 9 HB1 ALA 9 27.856 -11.715 8.971 50 HB2 ALA 9 HB2 ALA 9 27.260 -10.757 7.614 51 HB3 ALA 9 HB3 ALA 9 26.626 -10.481 9.235 52 H GLU 10 HN GLU 10 29.723 -10.825 10.910 53 HA GLU 10 HA GLU 10 28.244 -9.752 13.045 54 HB2 GLU 10 HB2 GLU 10 31.042 -10.891 12.902 55 HB3 GLU 10 HB1 GLU 10 30.263 -10.444 14.420 56 HG2 GLU 10 HG2 GLU 10 28.479 -12.028 14.051 57 HG3 GLU 10 HG1 GLU 10 29.047 -12.360 12.415 58 H LEU 11 HN LEU 11 31.315 -8.703 11.582 59 HA LEU 11 HA LEU 11 31.769 -6.560 13.388 60 HB2 LEU 11 HB2 LEU 11 33.571 -7.475 12.005 61 HB3 LEU 11 HB1 LEU 11 32.740 -6.939 10.545 62 HG LEU 11 HG LEU 11 32.904 -4.594 11.325 63 HD11 LEU 11 HD11 LEU 11 32.933 -4.818 13.702 64 HD12 LEU 11 HD12 LEU 11 34.521 -4.192 13.263 65 HD13 LEU 11 HD13 LEU 11 34.324 -5.900 13.653 66 HD21 LEU 11 HD21 LEU 11 34.693 -5.659 9.920 67 HD22 LEU 11 HD22 LEU 11 35.590 -5.990 11.402 68 HD23 LEU 11 HD23 LEU 11 35.275 -4.323 10.914 69 H VAL 12 HN VAL 12 30.175 -6.771 10.238 70 HA VAL 12 HA VAL 12 29.729 -4.040 9.845 71 HB VAL 12 HB VAL 12 28.274 -6.502 8.899 72 HG11 VAL 12 HG11 VAL 12 27.145 -4.870 7.281 73 HG12 VAL 12 HG12 VAL 12 27.677 -3.574 8.353 74 HG13 VAL 12 HG13 VAL 12 26.554 -4.800 8.941 75 HG21 VAL 12 HG21 VAL 12 29.282 -5.829 6.760 76 HG22 VAL 12 HG22 VAL 12 30.521 -6.014 8.002 77 HG23 VAL 12 HG23 VAL 12 29.977 -4.404 7.529 78 H ASP 13 HN ASP 13 27.732 -6.498 11.453 79 HA ASP 13 HA ASP 13 25.518 -4.856 12.030 80 HB2 ASP 13 HB2 ASP 13 25.547 -7.342 12.219 81 HB3 ASP 13 HB1 ASP 13 26.564 -7.189 13.650 82 H ALA 14 HN ALA 14 28.435 -5.609 13.934 83 HA ALA 14 HA ALA 14 27.725 -4.121 16.220 84 HB1 ALA 14 HB1 ALA 14 29.686 -5.818 15.798 85 HB2 ALA 14 HB2 ALA 14 29.883 -4.511 16.969 86 HB3 ALA 14 HB3 ALA 14 30.581 -4.364 15.355 87 H LEU 15 HN LEU 15 29.498 -3.223 13.280 88 HA LEU 15 HA LEU 15 30.204 -0.611 14.096 89 HB2 LEU 15 HB2 LEU 15 29.795 -1.842 11.364 90 HB3 LEU 15 HB1 LEU 15 30.383 -0.196 11.603 91 HG LEU 15 HG LEU 15 31.701 -2.596 12.893 92 HD11 LEU 15 HD11 LEU 15 32.440 -1.185 10.307 93 HD12 LEU 15 HD12 LEU 15 31.761 -2.808 10.417 94 HD13 LEU 15 HD13 LEU 15 33.360 -2.475 11.080 95 HD21 LEU 15 HD21 LEU 15 32.456 0.302 12.422 96 HD22 LEU 15 HD22 LEU 15 33.628 -0.921 12.913 97 HD23 LEU 15 HD23 LEU 15 32.275 -0.523 13.970 98 H GLN 16 HN GLN 16 27.385 -1.883 12.357 99 HA GLN 16 HA GLN 16 26.154 0.631 11.884 100 HB2 GLN 16 HB2 GLN 16 25.027 -2.171 12.054 101 HB3 GLN 16 HB1 GLN 16 24.071 -0.762 11.594 102 HG2 GLN 16 HG2 GLN 16 26.636 -1.550 10.194 103 HG3 GLN 16 HG1 GLN 16 25.040 -2.065 9.649 104 HE21 GLN 16 HE21 GLN 16 26.718 -0.386 8.021 105 HE22 GLN 16 HE22 GLN 16 25.976 1.137 7.898 106 H PHE 17 HN PHE 17 25.919 -1.728 14.512 107 HA PHE 17 HA PHE 17 23.825 -0.487 15.941 108 HB2 PHE 17 HB2 PHE 17 24.391 -2.716 16.522 109 HB3 PHE 17 HB1 PHE 17 26.083 -2.291 16.793 110 HD1 PHE 17 HD1 PHE 17 22.620 -1.842 18.096 111 HD2 PHE 17 HD2 PHE 17 26.826 -1.356 18.860 112 HE1 PHE 17 HE1 PHE 17 22.131 -1.329 20.474 113 HE2 PHE 17 HE2 PHE 17 26.332 -0.852 21.237 114 HZ PHE 17 HZ PHE 17 23.988 -0.838 22.045 115 H VAL 18 HN VAL 18 27.359 -0.257 16.365 116 HA VAL 18 HA VAL 18 27.254 1.607 18.491 117 HB VAL 18 HB VAL 18 29.441 1.004 16.494 118 HG11 VAL 18 HG11 VAL 18 29.914 3.159 17.408 119 HG12 VAL 18 HG12 VAL 18 30.886 2.016 18.334 120 HG13 VAL 18 HG13 VAL 18 29.396 2.663 19.021 121 HG21 VAL 18 HG21 VAL 18 29.137 0.144 19.384 122 HG22 VAL 18 HG22 VAL 18 30.327 -0.428 18.215 123 HG23 VAL 18 HG23 VAL 18 28.625 -0.850 18.020 124 H CYS 19 HN CYS 19 27.840 2.060 15.006 125 HA CYS 19 HA CYS 19 28.070 4.899 15.132 126 HB2 CYS 19 HB2 CYS 19 27.339 3.075 12.824 127 HB3 CYS 19 HB1 CYS 19 27.767 4.770 12.672 128 H GLY 20 HN GLY 20 25.386 2.705 14.519 129 HA2 GLY 20 HA2 GLY 20 23.109 3.031 14.501 130 HA3 GLY 20 HA1 GLY 20 23.415 4.462 15.482 131 H ASP 21 HN ASP 21 22.298 6.071 14.575 132 HA ASP 21 HA ASP 21 21.591 6.309 11.877 133 HB2 ASP 21 HB2 ASP 21 20.557 7.558 13.800 134 HB3 ASP 21 HB1 ASP 21 21.980 8.600 13.812 135 H ARG 22 HN ARG 22 24.466 7.362 13.617 136 HA ARG 22 HA ARG 22 25.495 9.121 11.664 137 HB2 ARG 22 HB2 ARG 22 26.873 7.413 13.741 138 HB3 ARG 22 HB1 ARG 22 27.710 8.600 12.749 139 HG2 ARG 22 HG2 ARG 22 26.063 10.327 13.575 140 HG3 ARG 22 HG1 ARG 22 25.460 9.116 14.707 141 HD2 ARG 22 HD2 ARG 22 28.346 10.020 14.550 142 HD3 ARG 22 HD1 ARG 22 27.178 10.626 15.719 143 HE ARG 22 HE ARG 22 28.460 8.019 15.731 144 HH11 ARG 22 HH11 ARG 22 25.784 9.958 16.860 145 HH12 ARG 22 HH12 ARG 22 25.500 8.970 18.248 146 HH21 ARG 22 HH21 ARG 22 28.055 6.745 17.553 147 HH22 ARG 22 HH22 ARG 22 26.770 7.163 18.637 148 H GLY 23 HN GLY 23 25.781 5.617 12.084 149 HA2 GLY 23 HA2 GLY 23 26.441 3.964 10.625 150 HA3 GLY 23 HA1 GLY 23 26.206 5.129 9.326 151 H PHE 24 HN PHE 24 28.145 3.918 8.487 152 HA PHE 24 HA PHE 24 30.524 5.477 9.056 153 HB2 PHE 24 HB2 PHE 24 31.956 3.527 9.497 154 HB3 PHE 24 HB1 PHE 24 30.704 3.681 10.730 155 HD1 PHE 24 HD1 PHE 24 32.045 1.634 8.039 156 HD2 PHE 24 HD2 PHE 24 28.667 2.234 10.618 157 HE1 PHE 24 HE1 PHE 24 31.223 -0.637 7.491 158 HE2 PHE 24 HE2 PHE 24 27.849 -0.039 10.077 159 HZ PHE 24 HZ PHE 24 29.125 -1.475 8.513 160 H TYR 25 HN TYR 25 32.241 5.075 7.482 161 HA TYR 25 HA TYR 25 31.565 3.480 5.145 162 HB2 TYR 25 HB2 TYR 25 31.616 5.313 3.575 163 HB3 TYR 25 HB1 TYR 25 30.393 5.666 4.795 164 HD1 TYR 25 HD1 TYR 25 33.710 6.549 3.488 165 HD2 TYR 25 HD2 TYR 25 30.774 7.393 6.510 166 HE1 TYR 25 HE1 TYR 25 34.891 8.656 4.047 167 HE2 TYR 25 HE2 TYR 25 31.957 9.498 7.068 168 HH TYR 25 HH TYR 25 33.679 11.110 5.497 169 H PHE 26 HN PHE 26 33.340 3.510 3.531 170 HA PHE 26 HA PHE 26 35.938 4.195 4.771 171 HB2 PHE 26 HB2 PHE 26 35.255 1.728 3.152 172 HB3 PHE 26 HB1 PHE 26 36.868 2.157 3.720 173 HD1 PHE 26 HD1 PHE 26 33.546 0.931 4.682 174 HD2 PHE 26 HD2 PHE 26 37.417 2.114 6.120 175 HE1 PHE 26 HE1 PHE 26 33.056 -0.125 6.872 176 HE2 PHE 26 HE2 PHE 26 36.926 1.058 8.311 177 HZ PHE 26 HZ PHE 26 34.744 -0.060 8.686 178 H ASN 27 HN ASN 27 37.499 5.027 3.426 179 HA ASN 27 HA ASN 27 36.553 6.109 0.903 180 HB2 ASN 27 HB2 ASN 27 38.698 7.312 0.889 181 HB3 ASN 27 HB1 ASN 27 37.860 7.520 2.426 182 HD21 ASN 27 HD21 ASN 27 40.347 8.031 2.935 183 HD22 ASN 27 HD22 ASN 27 41.242 6.706 3.506 184 H LYS 28 HN LYS 28 38.384 6.141 -0.879 185 HA LYS 28 HA LYS 28 39.531 3.444 -1.173 186 HB2 LYS 28 HB2 LYS 28 38.787 3.548 -3.610 187 HB3 LYS 28 HB1 LYS 28 37.522 3.248 -2.419 188 HG2 LYS 28 HG2 LYS 28 36.902 5.623 -2.446 189 HG3 LYS 28 HG1 LYS 28 38.192 5.962 -3.597 190 HD2 LYS 28 HD2 LYS 28 37.138 4.448 -5.232 191 HD3 LYS 28 HD1 LYS 28 35.846 4.105 -4.081 192 HE2 LYS 28 HE2 LYS 28 35.217 6.489 -4.065 193 HE3 LYS 28 HE1 LYS 28 36.513 6.840 -5.209 194 HZ1 LYS 28 HZ1 LYS 28 34.730 6.577 -6.599 195 HZ2 LYS 28 HZ2 LYS 28 33.999 5.381 -5.636 196 HZ3 LYS 28 HZ3 LYS 28 35.350 4.999 -6.592 197 HA PRO 29 HA PRO 29 42.467 6.884 -2.304 198 HB2 PRO 29 HB2 PRO 29 44.550 5.928 -0.803 199 HB3 PRO 29 HB1 PRO 29 43.322 7.044 -0.177 200 HG2 PRO 29 HG2 PRO 29 43.560 4.096 0.163 201 HG3 PRO 29 HG1 PRO 29 43.059 5.334 1.330 202 HD2 PRO 29 HD2 PRO 29 41.280 3.730 0.012 203 HD3 PRO 29 HD1 PRO 29 40.879 5.371 0.555 204 H THR 30 HN THR 30 42.604 3.404 -2.282 205 HA THR 30 HA THR 30 44.448 3.488 -4.589 206 HB THR 30 HB THR 30 45.437 1.373 -3.806 207 HG1 THR 30 HG1 THR 30 43.932 0.443 -2.568 208 HG21 THR 30 HG21 THR 30 46.791 2.313 -2.074 209 HG22 THR 30 HG22 THR 30 45.502 3.410 -1.573 210 HG23 THR 30 HG23 THR 30 46.321 3.660 -3.115 211 H GLY 31 HN GLY 31 44.213 1.686 -6.080 212 HA2 GLY 31 HA2 GLY 31 41.463 0.594 -6.067 213 HA3 GLY 31 HA1 GLY 31 42.362 0.998 -7.527 214 H TYR 32 HN TYR 32 44.455 -0.341 -5.273 215 HA TYR 32 HA TYR 32 44.911 -2.654 -6.819 216 HB2 TYR 32 HB2 TYR 32 45.812 -1.810 -4.070 217 HB3 TYR 32 HB1 TYR 32 46.308 -3.341 -4.792 218 HD1 TYR 32 HD1 TYR 32 46.481 0.343 -5.094 219 HD2 TYR 32 HD2 TYR 32 47.840 -3.418 -6.662 220 HE1 TYR 32 HE1 TYR 32 48.230 1.520 -6.400 221 HE2 TYR 32 HE2 TYR 32 49.589 -2.240 -7.969 222 HH TYR 32 HH TYR 32 49.580 1.100 -8.462 223 H GLY 33 HN GLY 33 43.070 -2.046 -3.887 224 HA2 GLY 33 HA2 GLY 33 41.189 -3.279 -3.184 225 HA3 GLY 33 HA1 GLY 33 41.689 -4.603 -4.232 226 H SER 34 HN SER 34 44.500 -3.884 -2.850 227 HA SER 34 HA SER 34 44.119 -4.956 -0.199 228 HB2 SER 34 HB2 SER 34 45.603 -6.950 -0.660 229 HB3 SER 34 HB1 SER 34 43.987 -7.047 -1.354 230 HG SER 34 HG SER 34 46.163 -7.368 -2.647 231 H SER 35 HN SER 35 46.867 -5.378 -2.380 232 HA SER 35 HA SER 35 49.056 -4.692 -2.183 233 HB2 SER 35 HB2 SER 35 47.897 -2.649 -3.066 234 HB3 SER 35 HB1 SER 35 47.760 -2.068 -1.410 235 HG SER 35 HG SER 35 49.632 -1.243 -2.339 236 H SER 36 HN SER 36 47.861 -5.856 0.197 237 HA SER 36 HA SER 36 48.526 -4.415 2.527 238 HB2 SER 36 HB2 SER 36 48.387 -6.579 3.673 239 HB3 SER 36 HB1 SER 36 47.048 -6.379 2.549 240 HG SER 36 HG SER 36 47.943 -8.406 2.246 241 H ARG 37 HN ARG 37 50.375 -6.508 0.439 242 HA ARG 37 HA ARG 37 52.628 -6.889 2.083 243 HB2 ARG 37 HB2 ARG 37 52.251 -8.188 0.031 244 HB3 ARG 37 HB1 ARG 37 52.496 -6.734 -0.938 245 HG2 ARG 37 HG2 ARG 37 54.784 -6.529 -0.161 246 HG3 ARG 37 HG1 ARG 37 54.561 -7.864 0.971 247 HD2 ARG 37 HD2 ARG 37 54.235 -8.144 -2.024 248 HD3 ARG 37 HD1 ARG 37 55.740 -8.490 -1.177 249 HE ARG 37 HE ARG 37 53.702 -9.942 0.086 250 HH11 ARG 37 HH11 ARG 37 55.301 -9.766 -3.008 251 HH12 ARG 37 HH12 ARG 37 55.067 -11.441 -3.361 252 HH21 ARG 37 HH21 ARG 37 53.415 -12.136 -0.401 253 HH22 ARG 37 HH22 ARG 37 54.006 -12.776 -1.897 254 H ARG 38 HN ARG 38 51.896 -4.385 -0.330 255 HA ARG 38 HA ARG 38 54.344 -2.992 -0.122 256 HB2 ARG 38 HB2 ARG 38 52.745 -2.660 -1.972 257 HB3 ARG 38 HB1 ARG 38 51.610 -1.915 -0.845 258 HG2 ARG 38 HG2 ARG 38 53.248 -0.157 -0.332 259 HG3 ARG 38 HG1 ARG 38 54.406 -0.903 -1.433 260 HD2 ARG 38 HD2 ARG 38 52.844 -0.566 -3.307 261 HD3 ARG 38 HD1 ARG 38 51.683 0.178 -2.211 262 HE ARG 38 HE ARG 38 54.086 1.394 -3.276 263 HH11 ARG 38 HH11 ARG 38 51.712 1.418 -0.717 264 HH12 ARG 38 HH12 ARG 38 51.979 3.080 -0.324 265 HH21 ARG 38 HH21 ARG 38 54.414 3.563 -2.733 266 HH22 ARG 38 HH22 ARG 38 53.497 4.286 -1.454 267 H ALA 39 HN ALA 39 51.238 -2.579 1.545 268 HA ALA 39 HA ALA 39 52.637 -0.962 3.588 269 HB1 ALA 39 HB1 ALA 39 51.367 0.662 2.458 270 HB2 ALA 39 HB2 ALA 39 50.360 0.221 3.837 271 HB3 ALA 39 HB3 ALA 39 50.000 -0.429 2.237 272 HA PRO 40 HA PRO 40 50.423 -4.542 5.521 273 HB2 PRO 40 HB2 PRO 40 52.503 -5.372 7.078 274 HB3 PRO 40 HB1 PRO 40 52.295 -5.878 5.392 275 HG2 PRO 40 HG2 PRO 40 54.116 -3.835 6.544 276 HG3 PRO 40 HG1 PRO 40 54.385 -4.971 5.211 277 HD2 PRO 40 HD2 PRO 40 53.769 -2.296 4.866 278 HD3 PRO 40 HD1 PRO 40 53.465 -3.555 3.654 279 H GLN 41 HN GLN 41 49.559 -2.246 6.318 280 HA GLN 41 HA GLN 41 50.350 -1.845 9.129 281 HB2 GLN 41 HB2 GLN 41 48.773 -0.044 7.274 282 HB3 GLN 41 HB1 GLN 41 49.189 0.325 8.949 283 HG2 GLN 41 HG2 GLN 41 51.174 -0.201 6.715 284 HG3 GLN 41 HG1 GLN 41 50.787 1.381 7.390 285 HE21 GLN 41 HE21 GLN 41 53.140 -0.914 7.549 286 HE22 GLN 41 HE22 GLN 41 53.657 -0.697 9.150 287 H THR 42 HN THR 42 48.424 -3.879 7.779 288 HA THR 42 HA THR 42 46.494 -4.958 8.390 289 HB THR 42 HB THR 42 45.965 -3.359 10.801 290 HG1 THR 42 HG1 THR 42 47.840 -3.904 11.823 291 HG21 THR 42 HG21 THR 42 46.687 -6.276 10.484 292 HG22 THR 42 HG22 THR 42 45.066 -5.655 10.169 293 HG23 THR 42 HG23 THR 42 45.762 -5.529 11.786 294 H GLY 43 HN GLY 43 44.206 -3.954 9.734 295 HA2 GLY 43 HA2 GLY 43 43.390 -1.502 8.418 296 HA3 GLY 43 HA1 GLY 43 42.601 -2.962 7.825 297 H ILE 44 HN ILE 44 41.051 -1.031 8.953 298 HA ILE 44 HA ILE 44 40.629 -1.205 11.723 299 HB ILE 44 HB ILE 44 38.788 -0.495 9.440 300 HG12 ILE 44 HG12 ILE 44 40.050 1.252 11.566 301 HG13 ILE 44 HG11 ILE 44 40.795 0.963 9.994 302 HG21 ILE 44 HG21 ILE 44 38.336 -0.491 12.417 303 HG22 ILE 44 HG22 ILE 44 37.335 -1.214 11.164 304 HG23 ILE 44 HG23 ILE 44 37.409 0.538 11.326 305 HD11 ILE 44 HD11 ILE 44 37.965 1.997 10.285 306 HD12 ILE 44 HD12 ILE 44 38.969 1.984 8.835 307 HD13 ILE 44 HD13 ILE 44 39.361 3.069 10.168 308 H VAL 45 HN VAL 45 39.122 -2.960 9.017 309 HA VAL 45 HA VAL 45 37.339 -4.503 10.568 310 HB VAL 45 HB VAL 45 38.597 -4.975 7.864 311 HG11 VAL 45 HG11 VAL 45 38.084 -7.164 8.704 312 HG12 VAL 45 HG12 VAL 45 36.736 -6.709 7.659 313 HG13 VAL 45 HG13 VAL 45 36.567 -6.607 9.409 314 HG21 VAL 45 HG21 VAL 45 36.212 -4.487 7.170 315 HG22 VAL 45 HG22 VAL 45 37.036 -3.123 7.926 316 HG23 VAL 45 HG23 VAL 45 35.874 -4.074 8.851 317 H ASP 46 HN ASP 46 40.608 -5.179 9.374 318 HA ASP 46 HA ASP 46 40.808 -7.783 10.444 319 HB2 ASP 46 HB2 ASP 46 42.899 -5.741 9.702 320 HB3 ASP 46 HB1 ASP 46 43.298 -7.360 10.271 321 H GLU 47 HN GLU 47 41.530 -4.591 11.814 322 HA GLU 47 HA GLU 47 42.925 -5.457 14.093 323 HB2 GLU 47 HB2 GLU 47 42.794 -3.110 13.361 324 HB3 GLU 47 HB1 GLU 47 41.081 -3.083 13.774 325 HG2 GLU 47 HG2 GLU 47 41.594 -3.521 16.114 326 HG3 GLU 47 HG1 GLU 47 43.311 -3.668 15.739 327 H CYS 48 HN CYS 48 39.434 -4.681 13.754 328 HA CYS 48 HA CYS 48 38.782 -5.594 16.395 329 HB2 CYS 48 HB2 CYS 48 37.036 -5.051 13.990 330 HB3 CYS 48 HB1 CYS 48 36.436 -5.471 15.582 331 H CYS 49 HN CYS 49 38.615 -7.029 13.172 332 HA CYS 49 HA CYS 49 37.206 -9.358 13.837 333 HB2 CYS 49 HB2 CYS 49 37.571 -8.643 11.514 334 HB3 CYS 49 HB1 CYS 49 39.297 -8.957 11.685 335 H PHE 50 HN PHE 50 40.711 -8.764 13.699 336 HA PHE 50 HA PHE 50 41.238 -11.416 14.750 337 HB2 PHE 50 HB2 PHE 50 42.961 -9.133 13.811 338 HB3 PHE 50 HB1 PHE 50 43.663 -10.540 14.623 339 HD1 PHE 50 HD1 PHE 50 41.622 -9.413 11.736 340 HD2 PHE 50 HD2 PHE 50 43.899 -12.625 13.452 341 HE1 PHE 50 HE1 PHE 50 41.511 -10.632 9.582 342 HE2 PHE 50 HE2 PHE 50 43.791 -13.851 11.299 343 HZ PHE 50 HZ PHE 50 42.598 -12.855 9.363 344 H ARG 51 HN ARG 51 42.433 -8.183 15.681 345 HA ARG 51 HA ARG 51 42.826 -8.997 18.422 346 HB2 ARG 51 HB2 ARG 51 43.115 -6.329 17.023 347 HB3 ARG 51 HB1 ARG 51 43.474 -6.584 18.731 348 HG2 ARG 51 HG2 ARG 51 45.058 -8.425 18.033 349 HG3 ARG 51 HG1 ARG 51 44.809 -7.917 16.360 350 HD2 ARG 51 HD2 ARG 51 45.807 -6.113 18.581 351 HD3 ARG 51 HD1 ARG 51 46.838 -6.882 17.376 352 HE ARG 51 HE ARG 51 45.087 -4.606 16.966 353 HH11 ARG 51 HH11 ARG 51 46.803 -7.257 15.478 354 HH12 ARG 51 HH12 ARG 51 46.881 -6.494 13.932 355 HH21 ARG 51 HH21 ARG 51 45.202 -3.638 14.927 356 HH22 ARG 51 HH22 ARG 51 45.981 -4.462 13.618 357 H SER 52 HN SER 52 41.861 -7.859 20.253 358 HA SER 52 HA SER 52 39.003 -7.459 19.811 359 HB2 SER 52 HB2 SER 52 39.699 -8.884 21.672 360 HB3 SER 52 HB1 SER 52 40.649 -7.567 22.350 361 HG SER 52 HG SER 52 37.924 -8.010 22.374 362 H CYS 53 HN CYS 53 38.945 -5.434 18.780 363 HA CYS 53 HA CYS 53 40.245 -3.135 19.917 364 HB2 CYS 53 HB2 CYS 53 39.081 -1.881 18.185 365 HB3 CYS 53 HB1 CYS 53 39.752 -3.350 17.487 366 H ASP 54 HN ASP 54 39.345 -1.469 21.108 367 HA ASP 54 HA ASP 54 37.268 -2.139 22.909 368 HB2 ASP 54 HB2 ASP 54 38.620 0.475 22.240 369 HB3 ASP 54 HB1 ASP 54 37.396 0.328 23.500 370 H LEU 55 HN LEU 55 35.126 -1.718 22.922 371 HA LEU 55 HA LEU 55 33.772 -1.215 20.497 372 HB2 LEU 55 HB2 LEU 55 32.845 -1.156 23.373 373 HB3 LEU 55 HB1 LEU 55 31.755 -0.976 21.998 374 HG LEU 55 HG LEU 55 33.636 -3.328 22.321 375 HD11 LEU 55 HD11 LEU 55 31.921 -3.132 24.174 376 HD12 LEU 55 HD12 LEU 55 31.786 -4.595 23.199 377 HD13 LEU 55 HD13 LEU 55 30.671 -3.255 22.936 378 HD21 LEU 55 HD21 LEU 55 31.316 -2.654 20.496 379 HD22 LEU 55 HD22 LEU 55 31.876 -4.312 20.714 380 HD23 LEU 55 HD23 LEU 55 32.963 -3.096 20.045 381 H ARG 56 HN ARG 56 34.547 0.859 23.264 382 HA ARG 56 HA ARG 56 33.080 3.121 22.443 383 HB2 ARG 56 HB2 ARG 56 34.015 2.870 24.706 384 HB3 ARG 56 HB1 ARG 56 35.646 3.007 24.045 385 HG2 ARG 56 HG2 ARG 56 35.236 5.260 23.301 386 HG3 ARG 56 HG1 ARG 56 33.520 5.131 23.686 387 HD2 ARG 56 HD2 ARG 56 34.684 6.371 25.450 388 HD3 ARG 56 HD1 ARG 56 34.086 4.837 26.076 389 HE ARG 56 HE ARG 56 36.754 4.540 25.144 390 HH11 ARG 56 HH11 ARG 56 34.864 5.934 27.723 391 HH12 ARG 56 HH12 ARG 56 36.138 5.812 28.885 392 HH21 ARG 56 HH21 ARG 56 38.402 4.388 26.689 393 HH22 ARG 56 HH22 ARG 56 38.127 4.944 28.307 394 H ARG 57 HN ARG 57 36.485 2.217 21.865 395 HA ARG 57 HA ARG 57 37.158 4.497 20.348 396 HB2 ARG 57 HB2 ARG 57 38.653 2.643 21.408 397 HB3 ARG 57 HB1 ARG 57 38.417 1.831 19.858 398 HG2 ARG 57 HG2 ARG 57 39.222 3.830 18.675 399 HG3 ARG 57 HG1 ARG 57 39.450 4.655 20.221 400 HD2 ARG 57 HD2 ARG 57 41.586 3.752 19.553 401 HD3 ARG 57 HD1 ARG 57 40.980 2.792 20.903 402 HE ARG 57 HE ARG 57 40.709 0.990 19.462 403 HH11 ARG 57 HH11 ARG 57 41.315 3.901 17.636 404 HH12 ARG 57 HH12 ARG 57 41.551 3.057 16.146 405 HH21 ARG 57 HH21 ARG 57 41.054 -0.082 17.504 406 HH22 ARG 57 HH22 ARG 57 41.401 0.822 16.068 407 H LEU 58 HN LEU 58 35.348 1.645 19.611 408 HA LEU 58 HA LEU 58 35.696 1.404 16.858 409 HB2 LEU 58 HB2 LEU 58 34.254 0.016 18.574 410 HB3 LEU 58 HB1 LEU 58 32.964 1.100 18.051 411 HG LEU 58 HG LEU 58 33.728 0.504 15.643 412 HD11 LEU 58 HD11 LEU 58 35.832 -0.646 16.585 413 HD12 LEU 58 HD12 LEU 58 34.938 -1.524 15.346 414 HD13 LEU 58 HD13 LEU 58 34.764 -1.970 17.043 415 HD21 LEU 58 HD21 LEU 58 32.325 -1.412 17.522 416 HD22 LEU 58 HD22 LEU 58 32.402 -1.684 15.781 417 HD23 LEU 58 HD23 LEU 58 31.592 -0.250 16.414 418 H ASP 59 HN ASP 59 34.053 3.859 18.694 419 HA ASP 59 HA ASP 59 32.304 4.853 16.711 420 HB2 ASP 59 HB2 ASP 59 32.281 6.915 18.035 421 HB3 ASP 59 HB1 ASP 59 32.173 5.504 19.085 422 H MET 60 HN MET 60 35.701 4.856 16.842 423 HA MET 60 HA MET 60 36.334 7.290 15.574 424 HB2 MET 60 HB2 MET 60 37.721 4.611 15.666 425 HB3 MET 60 HB1 MET 60 38.414 6.017 14.864 426 HG2 MET 60 HG2 MET 60 37.487 6.055 17.747 427 HG3 MET 60 HG1 MET 60 39.146 5.682 17.278 428 HE1 MET 60 HE1 MET 60 40.990 7.770 16.696 429 HE2 MET 60 HE2 MET 60 40.329 8.689 15.348 430 HE3 MET 60 HE3 MET 60 40.174 6.935 15.369 431 H TYR 61 HN TYR 61 35.423 4.115 14.334 432 HA TYR 61 HA TYR 61 35.866 4.836 11.576 433 HB2 TYR 61 HB2 TYR 61 34.152 2.534 12.466 434 HB3 TYR 61 HB1 TYR 61 35.193 2.660 11.052 435 HD1 TYR 61 HD1 TYR 61 35.007 0.772 13.776 436 HD2 TYR 61 HD2 TYR 61 37.704 3.683 12.131 437 HE1 TYR 61 HE1 TYR 61 36.880 -0.236 15.051 438 HE2 TYR 61 HE2 TYR 61 39.574 2.677 13.411 439 HH TYR 61 HH TYR 61 39.030 0.241 15.848 440 H CYS 62 HN CYS 62 33.317 5.259 13.849 441 HA CYS 62 HA CYS 62 31.119 5.315 12.045 442 HB2 CYS 62 HB2 CYS 62 31.525 6.631 14.741 443 HB3 CYS 62 HB1 CYS 62 29.991 6.601 13.879 444 H ALA 63 HN ALA 63 29.925 7.226 11.382 445 HA ALA 63 HA ALA 63 31.575 9.105 10.080 446 HB1 ALA 63 HB1 ALA 63 29.041 8.242 9.699 447 HB2 ALA 63 HB2 ALA 63 29.665 9.736 9.001 448 HB3 ALA 63 HB3 ALA 63 28.716 9.786 10.486 449 HA PRO 64 HA PRO 64 32.223 12.493 12.782 450 HB2 PRO 64 HB2 PRO 64 30.473 14.158 11.014 451 HB3 PRO 64 HB1 PRO 64 32.128 14.465 11.573 452 HG2 PRO 64 HG2 PRO 64 31.647 13.664 9.088 453 HG3 PRO 64 HG1 PRO 64 33.068 13.096 9.985 454 HD2 PRO 64 HD2 PRO 64 30.557 11.610 9.314 455 HD3 PRO 64 HD1 PRO 64 32.214 11.009 9.526 456 H LEU 65 HN LEU 65 31.282 13.286 14.620 457 HA LEU 65 HA LEU 65 28.613 12.501 15.270 458 HB2 LEU 65 HB2 LEU 65 30.454 14.397 16.751 459 HB3 LEU 65 HB1 LEU 65 29.051 13.561 17.419 460 HG LEU 65 HG LEU 65 31.539 12.224 16.309 461 HD11 LEU 65 HD11 LEU 65 32.051 13.228 18.430 462 HD12 LEU 65 HD12 LEU 65 31.787 11.509 18.721 463 HD13 LEU 65 HD13 LEU 65 30.527 12.674 19.124 464 HD21 LEU 65 HD21 LEU 65 30.430 10.201 17.462 465 HD22 LEU 65 HD22 LEU 65 29.735 10.735 15.935 466 HD23 LEU 65 HD23 LEU 65 28.951 11.163 17.456 467 H LYS 66 HN LYS 66 26.777 13.743 15.522 468 HA LYS 66 HA LYS 66 26.926 16.547 14.588 469 HB2 LYS 66 HB2 LYS 66 24.802 14.489 13.940 470 HB3 LYS 66 HB1 LYS 66 24.789 16.180 13.433 471 HG2 LYS 66 HG2 LYS 66 26.693 15.895 12.044 472 HG3 LYS 66 HG1 LYS 66 27.096 14.341 12.774 473 HD2 LYS 66 HD2 LYS 66 25.039 13.365 11.872 474 HD3 LYS 66 HD1 LYS 66 24.622 14.914 11.132 475 HE2 LYS 66 HE2 LYS 66 26.637 14.834 9.746 476 HE3 LYS 66 HE1 LYS 66 27.146 13.341 10.534 477 HZ1 LYS 66 HZ1 LYS 66 25.999 13.075 8.339 478 HZ2 LYS 66 HZ2 LYS 66 24.570 13.603 9.093 479 HZ3 LYS 66 HZ3 LYS 66 25.332 12.178 9.617 480 HA PRO 67 HA PRO 67 24.987 16.231 18.845 481 HB2 PRO 67 HB2 PRO 67 26.266 18.923 18.944 482 HB3 PRO 67 HB1 PRO 67 26.282 17.621 20.150 483 HG2 PRO 67 HG2 PRO 67 28.430 18.141 18.699 484 HG3 PRO 67 HG1 PRO 67 27.972 16.470 19.079 485 HD2 PRO 67 HD2 PRO 67 27.614 17.983 16.505 486 HD3 PRO 67 HD1 PRO 67 28.075 16.284 16.760 487 H ALA 68 HN ALA 68 23.050 17.159 19.455 488 HA ALA 68 HA ALA 68 21.537 18.566 17.510 489 HB1 ALA 68 HB1 ALA 68 20.796 17.052 19.534 490 HB2 ALA 68 HB2 ALA 68 19.759 18.365 18.977 491 HB3 ALA 68 HB3 ALA 68 20.773 18.586 20.402 492 H LYS 69 HN LYS 69 20.949 20.697 17.354 493 HA LYS 69 HA LYS 69 22.751 22.665 18.265 494 HB2 LYS 69 HB2 LYS 69 19.963 22.852 17.115 495 HB3 LYS 69 HB1 LYS 69 20.942 24.270 17.495 496 HG2 LYS 69 HG2 LYS 69 22.676 23.562 15.961 497 HG3 LYS 69 HG1 LYS 69 21.862 22.022 15.682 498 HD2 LYS 69 HD2 LYS 69 21.352 23.470 13.815 499 HD3 LYS 69 HD1 LYS 69 19.891 23.317 14.790 500 HE2 LYS 69 HE2 LYS 69 20.355 25.462 15.876 501 HE3 LYS 69 HE1 LYS 69 21.867 25.609 14.981 502 HZ1 LYS 69 HZ1 LYS 69 19.801 26.795 14.084 503 HZ2 LYS 69 HZ2 LYS 69 19.302 25.254 13.570 504 HZ3 LYS 69 HZ3 LYS 69 20.754 25.915 12.990 505 H SER 70 HN SER 70 19.610 21.585 19.467 506 HA SER 70 HA SER 70 19.239 23.595 21.417 507 HB2 SER 70 HB2 SER 70 17.623 22.064 22.415 508 HB3 SER 70 HB1 SER 70 17.455 22.052 20.662 509 HG SER 70 HG SER 70 17.702 19.974 20.910 510 H ALA 71 HN ALA 71 21.292 20.806 21.312 511 HA ALA 71 HA ALA 71 21.649 20.377 24.085 512 HB1 ALA 71 HB1 ALA 71 22.398 18.941 22.042 513 HB2 ALA 71 HB2 ALA 71 23.412 18.968 23.486 514 HB3 ALA 71 HB3 ALA 71 23.846 19.948 22.084 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 38.984 -14.310 16.147 2 H2 GLY 1 HT2 GLY 1 37.848 -13.088 15.821 3 H3 GLY 1 HT3 GLY 1 39.023 -13.490 14.662 4 HA2 GLY 1 HA2 GLY 1 36.757 -14.383 14.191 5 HA3 GLY 1 HA1 GLY 1 38.047 -15.586 14.236 6 H GLY 2 HN GLY 2 35.572 -14.037 16.263 7 HA2 GLY 2 HA2 GLY 2 34.503 -16.428 17.259 8 HA3 GLY 2 HA1 GLY 2 35.695 -15.854 18.420 9 HA PRO 3 HA PRO 3 31.457 -13.843 19.049 10 HB2 PRO 3 HB2 PRO 3 31.860 -14.949 21.770 11 HB3 PRO 3 HB1 PRO 3 30.408 -14.964 20.750 12 HG2 PRO 3 HG2 PRO 3 31.835 -17.171 21.138 13 HG3 PRO 3 HG1 PRO 3 31.092 -16.817 19.568 14 HD2 PRO 3 HD2 PRO 3 33.966 -16.519 20.403 15 HD3 PRO 3 HD1 PRO 3 33.295 -17.099 18.860 16 H GLU 4 HN GLU 4 34.506 -13.855 20.543 17 HA GLU 4 HA GLU 4 34.017 -11.409 22.055 18 HB2 GLU 4 HB2 GLU 4 36.537 -13.069 21.793 19 HB3 GLU 4 HB1 GLU 4 36.314 -11.699 22.882 20 HG2 GLU 4 HG2 GLU 4 34.605 -14.200 22.917 21 HG3 GLU 4 HG1 GLU 4 35.962 -13.908 24.003 22 H THR 5 HN THR 5 34.654 -12.073 18.921 23 HA THR 5 HA THR 5 36.092 -9.526 18.554 24 HB THR 5 HB THR 5 37.297 -10.525 16.662 25 HG1 THR 5 HG1 THR 5 36.282 -12.200 15.887 26 HG21 THR 5 HG21 THR 5 38.770 -12.019 17.962 27 HG22 THR 5 HG22 THR 5 37.538 -12.135 19.219 28 HG23 THR 5 HG23 THR 5 38.327 -10.591 18.897 29 H LEU 6 HN LEU 6 35.695 -8.517 16.461 30 HA LEU 6 HA LEU 6 33.021 -9.213 15.403 31 HB2 LEU 6 HB2 LEU 6 34.428 -6.529 15.416 32 HB3 LEU 6 HB1 LEU 6 32.805 -6.848 14.806 33 HG LEU 6 HG LEU 6 33.678 -7.335 17.667 34 HD11 LEU 6 HD11 LEU 6 32.102 -5.349 18.072 35 HD12 LEU 6 HD12 LEU 6 32.239 -5.026 16.344 36 HD13 LEU 6 HD13 LEU 6 33.674 -4.969 17.367 37 HD21 LEU 6 HD21 LEU 6 31.851 -8.779 17.102 38 HD22 LEU 6 HD22 LEU 6 31.033 -7.504 16.199 39 HD23 LEU 6 HD23 LEU 6 31.137 -7.412 17.957 40 H CYS 7 HN CYS 7 33.095 -10.127 13.460 41 HA CYS 7 HA CYS 7 34.838 -9.022 11.395 42 HB2 CYS 7 HB2 CYS 7 35.993 -10.971 12.692 43 HB3 CYS 7 HB1 CYS 7 34.868 -11.995 11.804 44 H GLY 8 HN GLY 8 34.163 -9.526 9.281 45 HA2 GLY 8 HA2 GLY 8 32.633 -9.974 7.622 46 HA3 GLY 8 HA1 GLY 8 32.147 -11.361 8.592 47 H ALA 9 HN ALA 9 30.018 -11.337 8.828 48 HA ALA 9 HA ALA 9 28.357 -9.084 8.591 49 HB1 ALA 9 HB1 ALA 9 26.734 -10.678 9.939 50 HB2 ALA 9 HB2 ALA 9 27.992 -11.870 9.608 51 HB3 ALA 9 HB3 ALA 9 27.186 -11.047 8.273 52 H GLU 10 HN GLU 10 29.874 -10.597 11.403 53 HA GLU 10 HA GLU 10 28.429 -9.236 13.405 54 HB2 GLU 10 HB2 GLU 10 31.224 -10.368 13.337 55 HB3 GLU 10 HB1 GLU 10 30.504 -9.690 14.796 56 HG2 GLU 10 HG2 GLU 10 28.710 -11.317 14.730 57 HG3 GLU 10 HG1 GLU 10 29.252 -11.912 13.161 58 H LEU 11 HN LEU 11 31.370 -8.362 11.620 59 HA LEU 11 HA LEU 11 31.980 -6.028 13.077 60 HB2 LEU 11 HB2 LEU 11 33.595 -7.038 11.556 61 HB3 LEU 11 HB1 LEU 11 32.537 -6.718 10.182 62 HG LEU 11 HG LEU 11 32.718 -4.282 10.625 63 HD11 LEU 11 HD11 LEU 11 34.517 -5.249 12.856 64 HD12 LEU 11 HD12 LEU 11 33.089 -4.221 12.986 65 HD13 LEU 11 HD13 LEU 11 34.562 -3.595 12.245 66 HD21 LEU 11 HD21 LEU 11 35.474 -5.522 10.515 67 HD22 LEU 11 HD22 LEU 11 34.935 -4.015 9.773 68 HD23 LEU 11 HD23 LEU 11 34.355 -5.561 9.152 69 H VAL 12 HN VAL 12 30.131 -6.472 10.064 70 HA VAL 12 HA VAL 12 29.497 -3.766 9.693 71 HB VAL 12 HB VAL 12 28.214 -6.326 8.762 72 HG11 VAL 12 HG11 VAL 12 26.352 -4.794 8.865 73 HG12 VAL 12 HG12 VAL 12 26.915 -4.747 7.194 74 HG13 VAL 12 HG13 VAL 12 27.345 -3.449 8.306 75 HG21 VAL 12 HG21 VAL 12 30.434 -5.490 7.869 76 HG22 VAL 12 HG22 VAL 12 29.570 -4.085 7.244 77 HG23 VAL 12 HG23 VAL 12 29.173 -5.698 6.653 78 H ASP 13 HN ASP 13 27.722 -6.377 11.313 79 HA ASP 13 HA ASP 13 25.416 -4.909 11.972 80 HB2 ASP 13 HB2 ASP 13 26.724 -7.320 13.235 81 HB3 ASP 13 HB1 ASP 13 25.193 -6.661 13.809 82 H ALA 14 HN ALA 14 28.454 -5.426 13.739 83 HA ALA 14 HA ALA 14 27.705 -4.088 16.107 84 HB1 ALA 14 HB1 ALA 14 29.988 -4.155 16.696 85 HB2 ALA 14 HB2 ALA 14 30.510 -4.154 15.011 86 HB3 ALA 14 HB3 ALA 14 29.743 -5.587 15.696 87 H LEU 15 HN LEU 15 29.230 -2.942 13.116 88 HA LEU 15 HA LEU 15 29.782 -0.314 13.963 89 HB2 LEU 15 HB2 LEU 15 29.218 -1.490 11.237 90 HB3 LEU 15 HB1 LEU 15 29.687 0.192 11.478 91 HG LEU 15 HG LEU 15 31.315 -2.105 12.579 92 HD11 LEU 15 HD11 LEU 15 32.692 -2.041 10.626 93 HD12 LEU 15 HD12 LEU 15 31.881 -0.600 10.013 94 HD13 LEU 15 HD13 LEU 15 31.036 -2.148 10.030 95 HD21 LEU 15 HD21 LEU 15 31.784 0.846 12.075 96 HD22 LEU 15 HD22 LEU 15 33.093 -0.282 12.437 97 HD23 LEU 15 HD23 LEU 15 31.820 0.002 13.622 98 H GLN 16 HN GLN 16 26.920 -1.737 12.418 99 HA GLN 16 HA GLN 16 25.474 0.697 12.174 100 HB2 GLN 16 HB2 GLN 16 24.587 -2.189 12.270 101 HB3 GLN 16 HB1 GLN 16 23.482 -0.843 11.985 102 HG2 GLN 16 HG2 GLN 16 24.679 -0.190 9.992 103 HG3 GLN 16 HG1 GLN 16 25.962 -1.353 10.323 104 HE21 GLN 16 HE21 GLN 16 24.175 -1.243 7.924 105 HE22 GLN 16 HE22 GLN 16 23.378 -2.741 7.882 106 H PHE 17 HN PHE 17 25.645 -1.788 14.684 107 HA PHE 17 HA PHE 17 23.567 -0.844 16.325 108 HB2 PHE 17 HB2 PHE 17 24.474 -3.002 16.767 109 HB3 PHE 17 HB1 PHE 17 26.102 -2.353 16.957 110 HD1 PHE 17 HD1 PHE 17 22.699 -2.433 18.468 111 HD2 PHE 17 HD2 PHE 17 26.840 -1.403 19.019 112 HE1 PHE 17 HE1 PHE 17 22.288 -2.070 20.888 113 HE2 PHE 17 HE2 PHE 17 26.425 -1.049 21.439 114 HZ PHE 17 HZ PHE 17 24.151 -1.381 22.373 115 H VAL 18 HN VAL 18 27.052 -0.132 16.414 116 HA VAL 18 HA VAL 18 26.867 1.682 18.599 117 HB VAL 18 HB VAL 18 29.004 1.362 16.480 118 HG11 VAL 18 HG11 VAL 18 29.147 3.552 17.562 119 HG12 VAL 18 HG12 VAL 18 30.443 2.512 18.151 120 HG13 VAL 18 HG13 VAL 18 29.017 2.793 19.148 121 HG21 VAL 18 HG21 VAL 18 28.460 -0.629 17.966 122 HG22 VAL 18 HG22 VAL 18 28.955 0.362 19.338 123 HG23 VAL 18 HG23 VAL 18 30.120 -0.043 18.077 124 H CYS 19 HN CYS 19 27.161 2.153 15.082 125 HA CYS 19 HA CYS 19 26.104 4.887 15.451 126 HB2 CYS 19 HB2 CYS 19 28.267 4.019 13.516 127 HB3 CYS 19 HB1 CYS 19 27.549 5.628 13.595 128 H GLY 20 HN GLY 20 24.082 3.593 15.042 129 HA2 GLY 20 HA2 GLY 20 23.614 2.499 12.438 130 HA3 GLY 20 HA1 GLY 20 22.387 2.870 13.644 131 H ASP 21 HN ASP 21 21.901 5.245 13.921 132 HA ASP 21 HA ASP 21 21.103 6.359 11.451 133 HB2 ASP 21 HB2 ASP 21 21.288 7.513 14.235 134 HB3 ASP 21 HB1 ASP 21 20.644 8.418 12.867 135 H ARG 22 HN ARG 22 23.836 7.044 13.596 136 HA ARG 22 HA ARG 22 24.796 9.323 12.230 137 HB2 ARG 22 HB2 ARG 22 26.175 7.284 13.981 138 HB3 ARG 22 HB1 ARG 22 26.989 8.714 13.343 139 HG2 ARG 22 HG2 ARG 22 25.136 10.102 14.374 140 HG3 ARG 22 HG1 ARG 22 24.582 8.634 15.176 141 HD2 ARG 22 HD2 ARG 22 27.404 9.701 15.420 142 HD3 ARG 22 HD1 ARG 22 26.127 10.064 16.577 143 HE ARG 22 HE ARG 22 27.514 7.531 16.256 144 HH11 ARG 22 HH11 ARG 22 24.701 9.202 17.481 145 HH12 ARG 22 HH12 ARG 22 24.353 7.990 18.666 146 HH21 ARG 22 HH21 ARG 22 27.020 5.960 17.814 147 HH22 ARG 22 HH22 ARG 22 25.648 6.170 18.851 148 H GLY 23 HN GLY 23 25.447 5.867 11.842 149 HA2 GLY 23 HA2 GLY 23 26.088 4.766 9.885 150 HA3 GLY 23 HA1 GLY 23 26.358 6.329 9.120 151 H PHE 24 HN PHE 24 28.236 4.553 8.592 152 HA PHE 24 HA PHE 24 30.575 5.624 9.946 153 HB2 PHE 24 HB2 PHE 24 31.490 3.398 10.486 154 HB3 PHE 24 HB1 PHE 24 30.002 3.717 11.377 155 HD1 PHE 24 HD1 PHE 24 31.609 1.678 8.804 156 HD2 PHE 24 HD2 PHE 24 27.869 2.662 10.672 157 HE1 PHE 24 HE1 PHE 24 30.581 -0.345 7.817 158 HE2 PHE 24 HE2 PHE 24 26.844 0.634 9.689 159 HZ PHE 24 HZ PHE 24 28.198 -0.870 8.264 160 H TYR 25 HN TYR 25 32.579 5.037 8.854 161 HA TYR 25 HA TYR 25 32.343 3.783 6.232 162 HB2 TYR 25 HB2 TYR 25 33.186 5.684 5.000 163 HB3 TYR 25 HB1 TYR 25 31.747 6.194 5.884 164 HD1 TYR 25 HD1 TYR 25 35.394 6.479 5.616 165 HD2 TYR 25 HD2 TYR 25 31.932 7.610 7.892 166 HE1 TYR 25 HE1 TYR 25 36.721 8.231 6.765 167 HE2 TYR 25 HE2 TYR 25 33.261 9.361 9.039 168 HH TYR 25 HH TYR 25 35.580 9.871 9.547 169 H PHE 26 HN PHE 26 34.470 3.531 5.189 170 HA PHE 26 HA PHE 26 36.697 3.591 7.131 171 HB2 PHE 26 HB2 PHE 26 35.979 1.362 5.217 172 HB3 PHE 26 HB1 PHE 26 37.477 1.438 6.143 173 HD1 PHE 26 HD1 PHE 26 33.854 0.870 6.289 174 HD2 PHE 26 HD2 PHE 26 37.456 1.251 8.598 175 HE1 PHE 26 HE1 PHE 26 32.703 -0.117 8.253 176 HE2 PHE 26 HE2 PHE 26 36.305 0.264 10.559 177 HZ PHE 26 HZ PHE 26 33.932 -0.419 10.387 178 H ASN 27 HN ASN 27 38.743 3.995 6.299 179 HA ASN 27 HA ASN 27 38.764 5.398 3.750 180 HB2 ASN 27 HB2 ASN 27 40.970 4.986 5.781 181 HB3 ASN 27 HB1 ASN 27 41.033 6.067 4.390 182 HD21 ASN 27 HD21 ASN 27 38.784 7.510 4.379 183 HD22 ASN 27 HD22 ASN 27 38.491 8.275 5.866 184 H LYS 28 HN LYS 28 40.456 5.001 2.146 185 HA LYS 28 HA LYS 28 40.496 2.326 1.314 186 HB2 LYS 28 HB2 LYS 28 42.310 4.611 0.499 187 HB3 LYS 28 HB1 LYS 28 42.128 3.091 -0.379 188 HG2 LYS 28 HG2 LYS 28 39.730 3.547 -0.689 189 HG3 LYS 28 HG1 LYS 28 39.902 5.067 0.192 190 HD2 LYS 28 HD2 LYS 28 41.539 5.844 -1.504 191 HD3 LYS 28 HD1 LYS 28 41.301 4.342 -2.400 192 HE2 LYS 28 HE2 LYS 28 39.888 6.039 -3.393 193 HE3 LYS 28 HE1 LYS 28 38.858 4.891 -2.540 194 HZ1 LYS 28 HZ1 LYS 28 39.821 7.440 -1.370 195 HZ2 LYS 28 HZ2 LYS 28 38.680 6.373 -0.704 196 HZ3 LYS 28 HZ3 LYS 28 38.308 7.252 -2.110 197 HA PRO 29 HA PRO 29 43.948 0.679 3.544 198 HB2 PRO 29 HB2 PRO 29 44.792 -1.272 1.835 199 HB3 PRO 29 HB1 PRO 29 43.282 -1.384 2.755 200 HG2 PRO 29 HG2 PRO 29 43.708 -0.687 -0.098 201 HG3 PRO 29 HG1 PRO 29 42.408 -1.622 0.658 202 HD2 PRO 29 HD2 PRO 29 42.171 1.018 -0.114 203 HD3 PRO 29 HD1 PRO 29 41.169 0.244 1.131 204 H THR 30 HN THR 30 44.867 2.990 2.783 205 HA THR 30 HA THR 30 47.210 2.600 1.056 206 HB THR 30 HB THR 30 47.377 5.058 1.087 207 HG1 THR 30 HG1 THR 30 44.992 4.943 2.608 208 HG21 THR 30 HG21 THR 30 45.417 5.502 -0.241 209 HG22 THR 30 HG22 THR 30 44.531 4.187 0.534 210 HG23 THR 30 HG23 THR 30 45.885 3.827 -0.538 211 H GLY 31 HN GLY 31 46.368 2.578 4.354 212 HA2 GLY 31 HA2 GLY 31 49.013 2.219 5.227 213 HA3 GLY 31 HA1 GLY 31 48.524 3.878 5.567 214 H TYR 32 HN TYR 32 48.944 2.898 7.812 215 HA TYR 32 HA TYR 32 46.400 1.772 8.799 216 HB2 TYR 32 HB2 TYR 32 48.141 0.082 8.991 217 HB3 TYR 32 HB1 TYR 32 49.213 1.233 9.788 218 HD1 TYR 32 HD1 TYR 32 45.910 -0.474 10.127 219 HD2 TYR 32 HD2 TYR 32 49.125 1.550 12.131 220 HE1 TYR 32 HE1 TYR 32 44.921 -1.072 12.321 221 HE2 TYR 32 HE2 TYR 32 48.136 0.951 14.325 222 HH TYR 32 HH TYR 32 45.767 -1.380 14.697 223 H GLY 33 HN GLY 33 45.381 2.964 10.309 224 HA2 GLY 33 HA2 GLY 33 44.951 4.628 11.841 225 HA3 GLY 33 HA1 GLY 33 46.617 4.418 12.377 226 H SER 34 HN SER 34 47.607 6.332 12.414 227 HA SER 34 HA SER 34 46.983 8.304 10.315 228 HB2 SER 34 HB2 SER 34 47.949 9.964 11.834 229 HB3 SER 34 HB1 SER 34 46.677 9.054 12.643 230 HG SER 34 HG SER 34 48.855 9.373 13.709 231 H SER 35 HN SER 35 48.990 5.875 10.478 232 HA SER 35 HA SER 35 51.238 7.381 9.313 233 HB2 SER 35 HB2 SER 35 52.027 6.709 11.459 234 HB3 SER 35 HB1 SER 35 51.315 5.106 11.296 235 HG SER 35 HG SER 35 53.520 5.004 10.827 236 H SER 36 HN SER 36 51.291 6.870 7.229 237 HA SER 36 HA SER 36 50.464 4.177 6.376 238 HB2 SER 36 HB2 SER 36 50.899 6.704 4.769 239 HB3 SER 36 HB1 SER 36 50.362 5.159 4.113 240 HG SER 36 HG SER 36 48.494 6.135 4.553 241 H ARG 37 HN ARG 37 53.203 5.361 7.469 242 HA ARG 37 HA ARG 37 55.107 5.067 5.418 243 HB2 ARG 37 HB2 ARG 37 55.297 4.745 8.417 244 HB3 ARG 37 HB1 ARG 37 56.697 4.680 7.346 245 HG2 ARG 37 HG2 ARG 37 56.285 6.930 6.563 246 HG3 ARG 37 HG1 ARG 37 54.754 7.004 7.435 247 HD2 ARG 37 HD2 ARG 37 57.445 6.613 8.762 248 HD3 ARG 37 HD1 ARG 37 56.642 8.172 8.607 249 HE ARG 37 HE ARG 37 54.818 6.423 9.800 250 HH11 ARG 37 HH11 ARG 37 57.945 7.818 10.458 251 HH12 ARG 37 HH12 ARG 37 57.727 7.800 12.174 252 HH21 ARG 37 HH21 ARG 37 54.557 6.410 12.053 253 HH22 ARG 37 HH22 ARG 37 55.824 7.009 13.072 254 H ARG 38 HN ARG 38 53.700 2.744 7.691 255 HA ARG 38 HA ARG 38 54.805 0.575 6.024 256 HB2 ARG 38 HB2 ARG 38 54.780 0.670 9.049 257 HB3 ARG 38 HB1 ARG 38 55.213 -0.743 8.085 258 HG2 ARG 38 HG2 ARG 38 57.093 0.418 7.106 259 HG3 ARG 38 HG1 ARG 38 56.601 1.939 7.853 260 HD2 ARG 38 HD2 ARG 38 57.363 -0.552 9.394 261 HD3 ARG 38 HD1 ARG 38 58.458 0.789 9.074 262 HE ARG 38 HE ARG 38 56.150 1.842 10.269 263 HH11 ARG 38 HH11 ARG 38 58.787 -0.315 11.016 264 HH12 ARG 38 HH12 ARG 38 58.766 0.051 12.706 265 HH21 ARG 38 HH21 ARG 38 56.146 2.303 12.489 266 HH22 ARG 38 HH22 ARG 38 57.282 1.522 13.537 267 H ALA 39 HN ALA 39 53.436 -1.103 5.641 268 HA ALA 39 HA ALA 39 50.855 -1.134 7.073 269 HB1 ALA 39 HB1 ALA 39 51.349 -1.020 4.114 270 HB2 ALA 39 HB2 ALA 39 50.171 -0.132 5.082 271 HB3 ALA 39 HB3 ALA 39 49.920 -1.845 4.737 272 HA PRO 40 HA PRO 40 52.840 -5.324 6.833 273 HB2 PRO 40 HB2 PRO 40 52.730 -5.871 9.505 274 HB3 PRO 40 HB1 PRO 40 54.068 -4.982 8.753 275 HG2 PRO 40 HG2 PRO 40 51.757 -3.960 10.317 276 HG3 PRO 40 HG1 PRO 40 53.441 -3.414 10.295 277 HD2 PRO 40 HD2 PRO 40 51.391 -2.142 8.948 278 HD3 PRO 40 HD1 PRO 40 53.104 -2.030 8.489 279 H GLN 41 HN GLN 41 50.414 -5.156 5.866 280 HA GLN 41 HA GLN 41 48.305 -6.069 5.757 281 HB2 GLN 41 HB2 GLN 41 49.691 -8.231 7.359 282 HB3 GLN 41 HB1 GLN 41 48.182 -8.419 6.464 283 HG2 GLN 41 HG2 GLN 41 50.869 -7.669 5.269 284 HG3 GLN 41 HG1 GLN 41 50.085 -9.242 5.134 285 HE21 GLN 41 HE21 GLN 41 50.589 -6.483 3.382 286 HE22 GLN 41 HE22 GLN 41 49.192 -6.498 2.418 287 H THR 42 HN THR 42 48.136 -4.135 7.528 288 HA THR 42 HA THR 42 46.505 -5.297 9.691 289 HB THR 42 HB THR 42 48.728 -4.661 10.612 290 HG1 THR 42 HG1 THR 42 47.475 -4.295 12.240 291 HG21 THR 42 HG21 THR 42 49.349 -2.287 10.674 292 HG22 THR 42 HG22 THR 42 47.916 -1.876 9.735 293 HG23 THR 42 HG23 THR 42 49.201 -2.837 9.005 294 H GLY 43 HN GLY 43 44.788 -3.957 10.409 295 HA2 GLY 43 HA2 GLY 43 44.308 -1.337 9.444 296 HA3 GLY 43 HA1 GLY 43 43.433 -2.511 8.465 297 H ILE 44 HN ILE 44 41.774 -0.909 9.642 298 HA ILE 44 HA ILE 44 41.076 -1.349 12.322 299 HB ILE 44 HB ILE 44 39.443 -0.462 9.940 300 HG12 ILE 44 HG12 ILE 44 40.465 1.108 12.319 301 HG13 ILE 44 HG11 ILE 44 41.363 0.968 10.807 302 HG21 ILE 44 HG21 ILE 44 38.741 -0.630 12.870 303 HG22 ILE 44 HG22 ILE 44 37.898 -1.388 11.519 304 HG23 ILE 44 HG23 ILE 44 37.855 0.363 11.714 305 HD11 ILE 44 HD11 ILE 44 39.603 2.034 9.566 306 HD12 ILE 44 HD12 ILE 44 39.896 3.031 10.992 307 HD13 ILE 44 HD13 ILE 44 38.502 1.952 10.942 308 H VAL 45 HN VAL 45 39.884 -2.852 9.327 309 HA VAL 45 HA VAL 45 37.974 -4.544 10.517 310 HB VAL 45 HB VAL 45 39.556 -4.781 7.956 311 HG11 VAL 45 HG11 VAL 45 38.972 -7.040 8.567 312 HG12 VAL 45 HG12 VAL 45 37.784 -6.510 7.376 313 HG13 VAL 45 HG13 VAL 45 37.361 -6.542 9.087 314 HG21 VAL 45 HG21 VAL 45 37.968 -2.953 7.968 315 HG22 VAL 45 HG22 VAL 45 36.717 -3.982 8.665 316 HG23 VAL 45 HG23 VAL 45 37.267 -4.260 7.013 317 H ASP 46 HN ASP 46 41.387 -5.081 9.713 318 HA ASP 46 HA ASP 46 41.494 -7.780 10.528 319 HB2 ASP 46 HB2 ASP 46 43.227 -6.572 9.156 320 HB3 ASP 46 HB1 ASP 46 43.757 -5.782 10.639 321 H GLU 47 HN GLU 47 42.029 -4.743 12.304 322 HA GLU 47 HA GLU 47 43.032 -5.883 14.668 323 HB2 GLU 47 HB2 GLU 47 43.115 -3.480 14.193 324 HB3 GLU 47 HB1 GLU 47 41.356 -3.390 14.297 325 HG2 GLU 47 HG2 GLU 47 42.370 -2.655 16.407 326 HG3 GLU 47 HG1 GLU 47 41.468 -4.148 16.656 327 H CYS 48 HN CYS 48 39.680 -4.923 13.880 328 HA CYS 48 HA CYS 48 38.573 -5.978 16.298 329 HB2 CYS 48 HB2 CYS 48 37.284 -5.223 13.672 330 HB3 CYS 48 HB1 CYS 48 36.406 -5.703 15.118 331 H CYS 49 HN CYS 49 38.881 -7.215 12.998 332 HA CYS 49 HA CYS 49 37.313 -9.518 13.302 333 HB2 CYS 49 HB2 CYS 49 38.043 -8.652 11.113 334 HB3 CYS 49 HB1 CYS 49 39.703 -9.108 11.492 335 H PHE 50 HN PHE 50 40.825 -9.062 13.667 336 HA PHE 50 HA PHE 50 41.140 -11.788 14.585 337 HB2 PHE 50 HB2 PHE 50 43.016 -9.479 14.118 338 HB3 PHE 50 HB1 PHE 50 43.566 -10.954 14.922 339 HD1 PHE 50 HD1 PHE 50 41.951 -9.623 11.843 340 HD2 PHE 50 HD2 PHE 50 44.040 -12.916 13.647 341 HE1 PHE 50 HE1 PHE 50 42.178 -10.685 9.616 342 HE2 PHE 50 HE2 PHE 50 44.269 -13.984 11.421 343 HZ PHE 50 HZ PHE 50 43.341 -12.873 9.405 344 H ARG 51 HN ARG 51 42.308 -8.720 15.984 345 HA ARG 51 HA ARG 51 42.164 -9.797 18.659 346 HB2 ARG 51 HB2 ARG 51 42.986 -7.128 17.526 347 HB3 ARG 51 HB1 ARG 51 42.880 -7.419 19.263 348 HG2 ARG 51 HG2 ARG 51 44.393 -9.418 18.935 349 HG3 ARG 51 HG1 ARG 51 44.622 -8.884 17.269 350 HD2 ARG 51 HD2 ARG 51 45.129 -7.060 19.620 351 HD3 ARG 51 HD1 ARG 51 46.384 -8.103 18.960 352 HE ARG 51 HE ARG 51 45.289 -5.714 17.731 353 HH11 ARG 51 HH11 ARG 51 46.986 -8.732 17.261 354 HH12 ARG 51 HH12 ARG 51 47.752 -8.210 15.801 355 HH21 ARG 51 HH21 ARG 51 46.314 -5.065 15.807 356 HH22 ARG 51 HH22 ARG 51 47.373 -6.159 14.981 357 H SER 52 HN SER 52 41.086 -8.509 20.413 358 HA SER 52 HA SER 52 38.340 -7.918 19.586 359 HB2 SER 52 HB2 SER 52 39.611 -8.274 22.307 360 HB3 SER 52 HB1 SER 52 37.910 -7.899 22.053 361 HG SER 52 HG SER 52 38.734 -10.229 22.216 362 H CYS 53 HN CYS 53 38.556 -5.872 18.635 363 HA CYS 53 HA CYS 53 39.874 -3.696 19.953 364 HB2 CYS 53 HB2 CYS 53 38.880 -2.319 18.187 365 HB3 CYS 53 HB1 CYS 53 39.582 -3.782 17.502 366 H ASP 54 HN ASP 54 38.974 -1.950 21.041 367 HA ASP 54 HA ASP 54 36.682 -2.530 22.643 368 HB2 ASP 54 HB2 ASP 54 38.376 -0.056 22.299 369 HB3 ASP 54 HB1 ASP 54 37.015 -0.136 23.416 370 H LEU 55 HN LEU 55 34.648 -1.594 22.630 371 HA LEU 55 HA LEU 55 33.530 -0.972 20.107 372 HB2 LEU 55 HB2 LEU 55 32.489 -0.608 22.924 373 HB3 LEU 55 HB1 LEU 55 31.525 -0.282 21.483 374 HG LEU 55 HG LEU 55 32.894 -2.935 21.990 375 HD11 LEU 55 HD11 LEU 55 31.286 -2.667 23.758 376 HD12 LEU 55 HD12 LEU 55 30.541 -3.708 22.545 377 HD13 LEU 55 HD13 LEU 55 30.086 -2.007 22.646 378 HD21 LEU 55 HD21 LEU 55 32.394 -2.667 19.670 379 HD22 LEU 55 HD22 LEU 55 30.839 -1.909 20.014 380 HD23 LEU 55 HD23 LEU 55 31.068 -3.633 20.314 381 H ARG 56 HN ARG 56 34.609 1.036 22.810 382 HA ARG 56 HA ARG 56 33.621 3.503 21.903 383 HB2 ARG 56 HB2 ARG 56 34.526 3.169 24.163 384 HB3 ARG 56 HB1 ARG 56 36.140 2.943 23.487 385 HG2 ARG 56 HG2 ARG 56 36.124 5.210 22.587 386 HG3 ARG 56 HG1 ARG 56 34.462 5.444 23.135 387 HD2 ARG 56 HD2 ARG 56 36.008 6.473 24.724 388 HD3 ARG 56 HD1 ARG 56 35.199 5.100 25.471 389 HE ARG 56 HE ARG 56 37.664 4.289 24.293 390 HH11 ARG 56 HH11 ARG 56 36.299 6.015 26.999 391 HH12 ARG 56 HH12 ARG 56 37.631 5.666 28.048 392 HH21 ARG 56 HH21 ARG 56 39.396 3.847 25.689 393 HH22 ARG 56 HH22 ARG 56 39.372 4.449 27.313 394 H ARG 57 HN ARG 57 36.768 1.894 21.274 395 HA ARG 57 HA ARG 57 37.871 3.948 19.714 396 HB2 ARG 57 HB2 ARG 57 39.222 2.152 20.648 397 HB3 ARG 57 HB1 ARG 57 38.350 0.962 19.680 398 HG2 ARG 57 HG2 ARG 57 39.142 1.963 17.631 399 HG3 ARG 57 HG1 ARG 57 39.893 3.288 18.523 400 HD2 ARG 57 HD2 ARG 57 40.609 0.404 18.999 401 HD3 ARG 57 HD1 ARG 57 41.444 1.387 17.799 402 HE ARG 57 HE ARG 57 41.453 2.772 20.252 403 HH11 ARG 57 HH11 ARG 57 42.764 -0.113 18.784 404 HH12 ARG 57 HH12 ARG 57 44.178 -0.122 19.781 405 HH21 ARG 57 HH21 ARG 57 43.318 2.734 21.539 406 HH22 ARG 57 HH22 ARG 57 44.490 1.476 21.331 407 H LEU 58 HN LEU 58 35.830 1.170 18.929 408 HA LEU 58 HA LEU 58 35.991 1.320 16.138 409 HB2 LEU 58 HB2 LEU 58 34.942 -0.539 17.476 410 HB3 LEU 58 HB1 LEU 58 33.544 0.510 17.711 411 HG LEU 58 HG LEU 58 33.514 0.748 15.144 412 HD11 LEU 58 HD11 LEU 58 35.790 -0.218 14.805 413 HD12 LEU 58 HD12 LEU 58 34.555 -1.085 13.899 414 HD13 LEU 58 HD13 LEU 58 35.195 -1.766 15.395 415 HD21 LEU 58 HD21 LEU 58 31.786 -0.508 16.208 416 HD22 LEU 58 HD22 LEU 58 32.885 -1.830 16.593 417 HD23 LEU 58 HD23 LEU 58 32.404 -1.542 14.922 418 H ASP 59 HN ASP 59 33.983 3.061 18.437 419 HA ASP 59 HA ASP 59 32.150 4.240 16.696 420 HB2 ASP 59 HB2 ASP 59 32.154 4.338 19.231 421 HB3 ASP 59 HB1 ASP 59 33.357 5.619 19.094 422 H MET 60 HN MET 60 35.532 4.812 17.067 423 HA MET 60 HA MET 60 35.732 7.480 16.200 424 HB2 MET 60 HB2 MET 60 37.625 5.148 15.912 425 HB3 MET 60 HB1 MET 60 38.034 6.803 15.479 426 HG2 MET 60 HG2 MET 60 37.001 6.046 18.220 427 HG3 MET 60 HG1 MET 60 38.719 6.108 17.830 428 HE1 MET 60 HE1 MET 60 40.102 8.659 17.817 429 HE2 MET 60 HE2 MET 60 39.301 9.597 16.561 430 HE3 MET 60 HE3 MET 60 39.570 7.872 16.326 431 H TYR 61 HN TYR 61 35.458 4.444 14.429 432 HA TYR 61 HA TYR 61 35.898 5.689 11.855 433 HB2 TYR 61 HB2 TYR 61 34.657 2.979 12.217 434 HB3 TYR 61 HB1 TYR 61 35.744 3.552 10.952 435 HD1 TYR 61 HD1 TYR 61 35.726 1.287 13.422 436 HD2 TYR 61 HD2 TYR 61 37.944 4.797 12.332 437 HE1 TYR 61 HE1 TYR 61 37.667 0.458 14.718 438 HE2 TYR 61 HE2 TYR 61 39.888 3.978 13.637 439 HH TYR 61 HH TYR 61 40.208 0.824 14.656 440 H CYS 62 HN CYS 62 33.595 6.604 13.611 441 HA CYS 62 HA CYS 62 31.295 5.923 11.941 442 HB2 CYS 62 HB2 CYS 62 31.555 7.399 14.569 443 HB3 CYS 62 HB1 CYS 62 30.035 7.219 13.694 444 H ALA 63 HN ALA 63 29.960 7.626 11.084 445 HA ALA 63 HA ALA 63 31.413 9.597 9.729 446 HB1 ALA 63 HB1 ALA 63 28.519 8.941 10.067 447 HB2 ALA 63 HB2 ALA 63 29.486 9.016 8.594 448 HB3 ALA 63 HB3 ALA 63 28.949 10.504 9.374 449 HA PRO 64 HA PRO 64 31.433 12.925 12.623 450 HB2 PRO 64 HB2 PRO 64 31.399 15.081 10.956 451 HB3 PRO 64 HB1 PRO 64 32.810 14.020 11.134 452 HG2 PRO 64 HG2 PRO 64 30.767 14.110 8.978 453 HG3 PRO 64 HG1 PRO 64 32.511 13.810 8.876 454 HD2 PRO 64 HD2 PRO 64 30.599 11.814 8.788 455 HD3 PRO 64 HD1 PRO 64 32.275 11.550 9.305 456 H LEU 65 HN LEU 65 30.189 14.673 13.533 457 HA LEU 65 HA LEU 65 27.350 14.597 12.719 458 HB2 LEU 65 HB2 LEU 65 28.559 15.284 15.409 459 HB3 LEU 65 HB1 LEU 65 26.836 15.225 15.035 460 HG LEU 65 HG LEU 65 28.736 12.877 14.776 461 HD11 LEU 65 HD11 LEU 65 26.751 13.674 16.918 462 HD12 LEU 65 HD12 LEU 65 28.468 13.323 17.113 463 HD13 LEU 65 HD13 LEU 65 27.340 12.022 16.735 464 HD21 LEU 65 HD21 LEU 65 26.920 12.605 13.242 465 HD22 LEU 65 HD22 LEU 65 25.751 13.231 14.406 466 HD23 LEU 65 HD23 LEU 65 26.491 11.652 14.660 467 H LYS 66 HN LYS 66 26.207 16.481 12.467 468 HA LYS 66 HA LYS 66 27.696 18.756 11.658 469 HB2 LYS 66 HB2 LYS 66 24.735 18.328 12.090 470 HB3 LYS 66 HB1 LYS 66 25.416 19.826 11.457 471 HG2 LYS 66 HG2 LYS 66 26.455 18.583 9.604 472 HG3 LYS 66 HG1 LYS 66 25.792 17.076 10.237 473 HD2 LYS 66 HD2 LYS 66 23.505 17.961 9.957 474 HD3 LYS 66 HD1 LYS 66 24.166 19.467 9.319 475 HE2 LYS 66 HE2 LYS 66 25.212 18.230 7.461 476 HE3 LYS 66 HE1 LYS 66 24.564 16.719 8.098 477 HZ1 LYS 66 HZ1 LYS 66 22.887 19.040 7.327 478 HZ2 LYS 66 HZ2 LYS 66 22.356 17.481 7.743 479 HZ3 LYS 66 HZ3 LYS 66 23.215 17.733 6.298 480 HA PRO 67 HA PRO 67 28.013 21.008 15.445 481 HB2 PRO 67 HB2 PRO 67 27.771 23.591 14.556 482 HB3 PRO 67 HB1 PRO 67 29.227 22.606 14.317 483 HG2 PRO 67 HG2 PRO 67 27.009 23.202 12.417 484 HG3 PRO 67 HG1 PRO 67 28.755 23.117 12.125 485 HD2 PRO 67 HD2 PRO 67 27.070 21.093 11.462 486 HD3 PRO 67 HD1 PRO 67 28.755 20.813 11.950 487 H ALA 68 HN ALA 68 26.801 22.113 17.033 488 HA ALA 68 HA ALA 68 24.002 21.751 16.947 489 HB1 ALA 68 HB1 ALA 68 24.025 23.134 19.050 490 HB2 ALA 68 HB2 ALA 68 25.752 23.381 18.797 491 HB3 ALA 68 HB3 ALA 68 25.125 21.755 19.073 492 H LYS 69 HN LYS 69 22.320 23.161 16.612 493 HA LYS 69 HA LYS 69 22.693 25.287 14.797 494 HB2 LYS 69 HB2 LYS 69 20.355 24.538 16.563 495 HB3 LYS 69 HB1 LYS 69 20.290 25.829 15.362 496 HG2 LYS 69 HG2 LYS 69 20.897 24.223 13.593 497 HG3 LYS 69 HG1 LYS 69 20.970 22.929 14.790 498 HD2 LYS 69 HD2 LYS 69 18.584 23.305 15.331 499 HD3 LYS 69 HD1 LYS 69 18.513 24.571 14.106 500 HE2 LYS 69 HE2 LYS 69 19.240 21.677 13.566 501 HE3 LYS 69 HE1 LYS 69 17.662 22.398 13.249 502 HZ1 LYS 69 HZ1 LYS 69 19.103 24.121 11.952 503 HZ2 LYS 69 HZ2 LYS 69 18.666 22.647 11.231 504 HZ3 LYS 69 HZ3 LYS 69 20.220 22.847 11.887 505 H SER 70 HN SER 70 22.269 25.215 18.310 506 HA SER 70 HA SER 70 22.526 26.835 19.919 507 HB2 SER 70 HB2 SER 70 24.347 28.021 17.812 508 HB3 SER 70 HB1 SER 70 24.304 28.500 19.508 509 HG SER 70 HG SER 70 25.815 26.978 19.536 510 H ALA 71 HN ALA 71 20.252 27.092 18.271 511 HA ALA 71 HA ALA 71 19.650 29.886 18.711 512 HB1 ALA 71 HB1 ALA 71 18.887 30.254 16.356 513 HB2 ALA 71 HB2 ALA 71 19.669 28.738 15.912 514 HB3 ALA 71 HB3 ALA 71 20.635 30.087 16.512 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 26.667 -14.933 23.255 2 H2 GLY 1 HT2 GLY 1 28.330 -14.963 23.602 3 H3 GLY 1 HT3 GLY 1 27.303 -16.157 24.241 4 HA2 GLY 1 HA2 GLY 1 27.135 -17.297 22.288 5 HA3 GLY 1 HA1 GLY 1 27.445 -15.849 21.328 6 H GLY 2 HN GLY 2 28.792 -18.397 21.056 7 HA2 GLY 2 HA2 GLY 2 31.292 -18.516 22.323 8 HA3 GLY 2 HA1 GLY 2 30.924 -19.212 20.748 9 HA PRO 3 HA PRO 3 33.244 -15.999 18.801 10 HB2 PRO 3 HB2 PRO 3 31.738 -15.161 16.699 11 HB3 PRO 3 HB1 PRO 3 32.477 -16.773 16.772 12 HG2 PRO 3 HG2 PRO 3 29.662 -15.958 17.231 13 HG3 PRO 3 HG1 PRO 3 30.312 -17.436 16.506 14 HD2 PRO 3 HD2 PRO 3 29.371 -17.232 19.124 15 HD3 PRO 3 HD1 PRO 3 30.456 -18.506 18.526 16 H GLU 4 HN GLU 4 32.714 -14.704 20.894 17 HA GLU 4 HA GLU 4 30.888 -12.545 20.758 18 HB2 GLU 4 HB2 GLU 4 31.984 -11.716 22.757 19 HB3 GLU 4 HB1 GLU 4 31.802 -13.467 22.884 20 HG2 GLU 4 HG2 GLU 4 34.129 -13.755 22.083 21 HG3 GLU 4 HG1 GLU 4 34.312 -12.004 22.012 22 H THR 5 HN THR 5 33.784 -13.059 19.186 23 HA THR 5 HA THR 5 34.757 -10.360 19.114 24 HB THR 5 HB THR 5 36.312 -11.190 17.427 25 HG1 THR 5 HG1 THR 5 35.866 -12.900 16.291 26 HG21 THR 5 HG21 THR 5 36.852 -11.725 19.735 27 HG22 THR 5 HG22 THR 5 37.278 -13.102 18.719 28 HG23 THR 5 HG23 THR 5 35.805 -13.142 19.688 29 H LEU 6 HN LEU 6 34.942 -9.128 17.079 30 HA LEU 6 HA LEU 6 32.450 -9.353 15.504 31 HB2 LEU 6 HB2 LEU 6 34.213 -6.936 15.998 32 HB3 LEU 6 HB1 LEU 6 32.704 -6.948 15.086 33 HG LEU 6 HG LEU 6 32.961 -7.721 18.007 34 HD11 LEU 6 HD11 LEU 6 31.611 -5.558 18.286 35 HD12 LEU 6 HD12 LEU 6 32.091 -5.169 16.633 36 HD13 LEU 6 HD13 LEU 6 33.317 -5.369 17.885 37 HD21 LEU 6 HD21 LEU 6 30.629 -7.473 16.089 38 HD22 LEU 6 HD22 LEU 6 30.410 -7.432 17.839 39 HD23 LEU 6 HD23 LEU 6 31.087 -8.865 17.069 40 H CYS 7 HN CYS 7 32.660 -9.987 13.464 41 HA CYS 7 HA CYS 7 34.771 -9.046 11.762 42 HB2 CYS 7 HB2 CYS 7 35.867 -10.916 13.060 43 HB3 CYS 7 HB1 CYS 7 34.714 -12.018 12.307 44 H GLY 8 HN GLY 8 34.345 -9.403 9.575 45 HA2 GLY 8 HA2 GLY 8 33.022 -9.743 7.724 46 HA3 GLY 8 HA1 GLY 8 32.498 -11.226 8.515 47 H ALA 9 HN ALA 9 30.362 -11.308 8.503 48 HA ALA 9 HA ALA 9 28.624 -9.113 8.255 49 HB1 ALA 9 HB1 ALA 9 27.756 -11.222 7.629 50 HB2 ALA 9 HB2 ALA 9 26.882 -10.796 9.103 51 HB3 ALA 9 HB3 ALA 9 28.210 -11.955 9.168 52 H GLU 10 HN GLU 10 29.848 -10.831 11.096 53 HA GLU 10 HA GLU 10 28.131 -9.655 13.004 54 HB2 GLU 10 HB2 GLU 10 30.931 -10.771 13.212 55 HB3 GLU 10 HB1 GLU 10 30.008 -10.227 14.613 56 HG2 GLU 10 HG2 GLU 10 29.117 -12.358 12.648 57 HG3 GLU 10 HG1 GLU 10 29.779 -12.671 14.251 58 H LEU 11 HN LEU 11 31.269 -8.650 11.706 59 HA LEU 11 HA LEU 11 31.613 -6.410 13.393 60 HB2 LEU 11 HB2 LEU 11 33.482 -7.313 12.132 61 HB3 LEU 11 HB1 LEU 11 32.674 -6.935 10.610 62 HG LEU 11 HG LEU 11 32.732 -4.530 11.180 63 HD11 LEU 11 HD11 LEU 11 32.653 -4.534 13.569 64 HD12 LEU 11 HD12 LEU 11 34.239 -3.889 13.143 65 HD13 LEU 11 HD13 LEU 11 34.083 -5.561 13.683 66 HD21 LEU 11 HD21 LEU 11 34.641 -5.714 9.994 67 HD22 LEU 11 HD22 LEU 11 35.477 -5.740 11.547 68 HD23 LEU 11 HD23 LEU 11 35.071 -4.198 10.789 69 H VAL 12 HN VAL 12 30.144 -6.763 10.186 70 HA VAL 12 HA VAL 12 29.653 -4.061 9.703 71 HB VAL 12 HB VAL 12 28.296 -6.585 8.782 72 HG11 VAL 12 HG11 VAL 12 27.178 -5.022 7.081 73 HG12 VAL 12 HG12 VAL 12 27.611 -3.693 8.157 74 HG13 VAL 12 HG13 VAL 12 26.517 -4.957 8.714 75 HG21 VAL 12 HG21 VAL 12 30.519 -6.117 7.908 76 HG22 VAL 12 HG22 VAL 12 30.038 -4.475 7.480 77 HG23 VAL 12 HG23 VAL 12 29.329 -5.852 6.635 78 H ASP 13 HN ASP 13 27.620 -6.511 11.282 79 HA ASP 13 HA ASP 13 25.393 -4.847 11.762 80 HB2 ASP 13 HB2 ASP 13 25.374 -7.329 11.930 81 HB3 ASP 13 HB1 ASP 13 26.343 -7.210 13.396 82 H ALA 14 HN ALA 14 28.227 -5.627 13.772 83 HA ALA 14 HA ALA 14 27.434 -4.154 16.041 84 HB1 ALA 14 HB1 ALA 14 29.324 -5.842 15.902 85 HB2 ALA 14 HB2 ALA 14 29.681 -4.367 16.801 86 HB3 ALA 14 HB3 ALA 14 30.290 -4.567 15.157 87 H LEU 15 HN LEU 15 29.289 -3.240 13.166 88 HA LEU 15 HA LEU 15 29.992 -0.644 14.023 89 HB2 LEU 15 HB2 LEU 15 29.649 -1.836 11.272 90 HB3 LEU 15 HB1 LEU 15 30.193 -0.179 11.533 91 HG LEU 15 HG LEU 15 31.547 -2.576 12.800 92 HD11 LEU 15 HD11 LEU 15 32.437 -1.047 10.339 93 HD12 LEU 15 HD12 LEU 15 31.593 -2.595 10.262 94 HD13 LEU 15 HD13 LEU 15 33.179 -2.491 11.028 95 HD21 LEU 15 HD21 LEU 15 32.076 -0.551 13.966 96 HD22 LEU 15 HD22 LEU 15 32.214 0.361 12.464 97 HD23 LEU 15 HD23 LEU 15 33.438 -0.838 12.884 98 H GLN 16 HN GLN 16 27.153 -1.890 12.298 99 HA GLN 16 HA GLN 16 25.981 0.614 11.742 100 HB2 GLN 16 HB2 GLN 16 25.287 -1.532 10.710 101 HB3 GLN 16 HB1 GLN 16 24.599 -2.026 12.258 102 HG2 GLN 16 HG2 GLN 16 22.847 -1.086 10.836 103 HG3 GLN 16 HG1 GLN 16 23.132 -0.029 12.217 104 HE21 GLN 16 HE21 GLN 16 23.075 2.115 11.551 105 HE22 GLN 16 HE22 GLN 16 23.714 2.702 10.093 106 H PHE 17 HN PHE 17 25.598 -1.624 14.478 107 HA PHE 17 HA PHE 17 23.662 -0.146 15.901 108 HB2 PHE 17 HB2 PHE 17 24.034 -2.404 16.544 109 HB3 PHE 17 HB1 PHE 17 25.763 -2.136 16.768 110 HD1 PHE 17 HD1 PHE 17 22.390 -1.332 18.129 111 HD2 PHE 17 HD2 PHE 17 26.642 -1.210 18.775 112 HE1 PHE 17 HE1 PHE 17 22.013 -0.692 20.498 113 HE2 PHE 17 HE2 PHE 17 26.257 -0.576 21.142 114 HZ PHE 17 HZ PHE 17 23.948 -0.317 22.005 115 H VAL 18 HN VAL 18 27.201 -0.249 16.265 116 HA VAL 18 HA VAL 18 27.338 1.665 18.329 117 HB VAL 18 HB VAL 18 29.385 0.785 16.288 118 HG11 VAL 18 HG11 VAL 18 29.654 2.501 18.768 119 HG12 VAL 18 HG12 VAL 18 30.000 2.990 17.109 120 HG13 VAL 18 HG13 VAL 18 31.017 1.790 17.905 121 HG21 VAL 18 HG21 VAL 18 28.561 -0.944 17.878 122 HG22 VAL 18 HG22 VAL 18 28.996 0.109 19.223 123 HG23 VAL 18 HG23 VAL 18 30.252 -0.537 18.168 124 H CYS 19 HN CYS 19 27.573 1.944 14.823 125 HA CYS 19 HA CYS 19 27.746 4.862 15.040 126 HB2 CYS 19 HB2 CYS 19 27.998 3.067 12.611 127 HB3 CYS 19 HB1 CYS 19 28.310 4.804 12.656 128 H GLY 20 HN GLY 20 25.273 3.303 15.622 129 HA2 GLY 20 HA2 GLY 20 23.430 3.321 13.539 130 HA3 GLY 20 HA1 GLY 20 23.011 3.524 15.237 131 H ASP 21 HN ASP 21 22.130 4.818 12.622 132 HA ASP 21 HA ASP 21 21.317 6.856 11.975 133 HB2 ASP 21 HB2 ASP 21 22.137 7.910 14.684 134 HB3 ASP 21 HB1 ASP 21 20.845 8.488 13.632 135 H ARG 22 HN ARG 22 24.448 6.164 12.321 136 HA ARG 22 HA ARG 22 25.319 8.814 11.388 137 HB2 ARG 22 HB2 ARG 22 26.743 6.857 13.198 138 HB3 ARG 22 HB1 ARG 22 27.529 8.246 12.443 139 HG2 ARG 22 HG2 ARG 22 25.744 9.705 13.474 140 HG3 ARG 22 HG1 ARG 22 25.203 8.288 14.374 141 HD2 ARG 22 HD2 ARG 22 28.054 9.231 14.432 142 HD3 ARG 22 HD1 ARG 22 26.855 9.823 15.574 143 HE ARG 22 HE ARG 22 28.063 7.183 15.520 144 HH11 ARG 22 HH11 ARG 22 25.395 9.138 16.622 145 HH12 ARG 22 HH12 ARG 22 25.025 8.090 17.948 146 HH21 ARG 22 HH21 ARG 22 27.560 5.848 17.268 147 HH22 ARG 22 HH22 ARG 22 26.237 6.244 18.312 148 H GLY 23 HN GLY 23 25.611 5.326 11.180 149 HA2 GLY 23 HA2 GLY 23 26.152 3.996 9.365 150 HA3 GLY 23 HA1 GLY 23 26.408 5.456 8.415 151 H PHE 24 HN PHE 24 28.201 3.589 7.920 152 HA PHE 24 HA PHE 24 30.650 4.719 9.007 153 HB2 PHE 24 HB2 PHE 24 31.575 2.542 9.691 154 HB3 PHE 24 HB1 PHE 24 30.137 2.940 10.632 155 HD1 PHE 24 HD1 PHE 24 31.640 0.628 8.262 156 HD2 PHE 24 HD2 PHE 24 27.936 1.911 10.016 157 HE1 PHE 24 HE1 PHE 24 30.548 -1.451 7.479 158 HE2 PHE 24 HE2 PHE 24 26.844 -0.172 9.238 159 HZ PHE 24 HZ PHE 24 28.149 -1.851 7.968 160 H TYR 25 HN TYR 25 32.553 4.040 7.801 161 HA TYR 25 HA TYR 25 32.154 2.536 5.346 162 HB2 TYR 25 HB2 TYR 25 32.747 4.321 3.837 163 HB3 TYR 25 HB1 TYR 25 31.373 4.864 4.801 164 HD1 TYR 25 HD1 TYR 25 34.966 5.254 4.158 165 HD2 TYR 25 HD2 TYR 25 31.659 6.539 6.579 166 HE1 TYR 25 HE1 TYR 25 36.303 7.179 4.956 167 HE2 TYR 25 HE2 TYR 25 32.995 8.469 7.378 168 HH TYR 25 HH TYR 25 34.881 9.760 6.808 169 H PHE 26 HN PHE 26 34.237 2.470 4.064 170 HA PHE 26 HA PHE 26 36.534 2.551 5.927 171 HB2 PHE 26 HB2 PHE 26 36.042 0.694 3.585 172 HB3 PHE 26 HB1 PHE 26 37.479 0.695 4.607 173 HD1 PHE 26 HD1 PHE 26 34.090 -0.463 4.240 174 HD2 PHE 26 HD2 PHE 26 37.183 0.299 7.119 175 HE1 PHE 26 HE1 PHE 26 32.920 -1.911 5.879 176 HE2 PHE 26 HE2 PHE 26 36.012 -1.148 8.757 177 HZ PHE 26 HZ PHE 26 33.883 -2.253 8.140 178 H ASN 27 HN ASN 27 38.326 3.635 5.322 179 HA ASN 27 HA ASN 27 38.291 4.902 2.653 180 HB2 ASN 27 HB2 ASN 27 38.174 6.405 4.673 181 HB3 ASN 27 HB1 ASN 27 39.786 5.837 5.109 182 HD21 ASN 27 HD21 ASN 27 40.923 7.813 4.696 183 HD22 ASN 27 HD22 ASN 27 41.036 8.499 3.148 184 H LYS 28 HN LYS 28 39.617 3.883 1.281 185 HA LYS 28 HA LYS 28 42.293 3.088 2.265 186 HB2 LYS 28 HB2 LYS 28 40.643 1.601 0.209 187 HB3 LYS 28 HB1 LYS 28 42.216 1.122 0.850 188 HG2 LYS 28 HG2 LYS 28 41.267 0.876 3.090 189 HG3 LYS 28 HG1 LYS 28 39.700 1.441 2.510 190 HD2 LYS 28 HD2 LYS 28 39.729 -0.490 0.867 191 HD3 LYS 28 HD1 LYS 28 41.131 -1.108 1.745 192 HE2 LYS 28 HE2 LYS 28 38.469 -0.462 3.030 193 HE3 LYS 28 HE1 LYS 28 38.961 -2.083 2.538 194 HZ1 LYS 28 HZ1 LYS 28 39.443 -1.765 4.854 195 HZ2 LYS 28 HZ2 LYS 28 40.317 -0.344 4.529 196 HZ3 LYS 28 HZ3 LYS 28 40.907 -1.848 4.001 197 HA PRO 29 HA PRO 29 42.485 6.188 -1.271 198 HB2 PRO 29 HB2 PRO 29 44.953 6.814 0.292 199 HB3 PRO 29 HB1 PRO 29 43.764 7.916 -0.432 200 HG2 PRO 29 HG2 PRO 29 43.805 7.518 2.177 201 HG3 PRO 29 HG1 PRO 29 42.266 7.655 1.308 202 HD2 PRO 29 HD2 PRO 29 43.623 5.183 2.357 203 HD3 PRO 29 HD1 PRO 29 41.895 5.595 2.324 204 H THR 30 HN THR 30 44.953 4.138 0.223 205 HA THR 30 HA THR 30 46.675 4.101 -2.079 206 HB THR 30 HB THR 30 47.929 2.409 -0.853 207 HG1 THR 30 HG1 THR 30 46.713 1.108 0.250 208 HG21 THR 30 HG21 THR 30 48.281 4.703 -0.142 209 HG22 THR 30 HG22 THR 30 48.278 3.667 1.285 210 HG23 THR 30 HG23 THR 30 46.858 4.637 0.898 211 H GLY 31 HN GLY 31 47.255 2.012 -3.156 212 HA2 GLY 31 HA2 GLY 31 46.439 -0.303 -3.619 213 HA3 GLY 31 HA1 GLY 31 44.824 0.400 -3.653 214 H TYR 32 HN TYR 32 47.433 2.258 -4.972 215 HA TYR 32 HA TYR 32 46.217 2.495 -7.486 216 HB2 TYR 32 HB2 TYR 32 49.041 3.089 -6.595 217 HB3 TYR 32 HB1 TYR 32 48.382 3.553 -8.164 218 HD1 TYR 32 HD1 TYR 32 48.274 4.155 -4.537 219 HD2 TYR 32 HD2 TYR 32 46.629 5.258 -8.350 220 HE1 TYR 32 HE1 TYR 32 47.252 6.169 -3.514 221 HE2 TYR 32 HE2 TYR 32 45.608 7.274 -7.326 222 HH TYR 32 HH TYR 32 45.942 8.713 -5.377 223 H GLY 33 HN GLY 33 48.816 0.445 -6.292 224 HA2 GLY 33 HA2 GLY 33 48.397 -1.466 -8.409 225 HA3 GLY 33 HA1 GLY 33 49.924 -0.599 -8.555 226 H SER 34 HN SER 34 50.259 -3.177 -8.281 227 HA SER 34 HA SER 34 50.721 -3.710 -5.413 228 HB2 SER 34 HB2 SER 34 50.856 -6.078 -6.055 229 HB3 SER 34 HB1 SER 34 49.324 -5.371 -6.561 230 HG SER 34 HG SER 34 51.146 -6.570 -8.052 231 H SER 35 HN SER 35 52.348 -2.506 -7.993 232 HA SER 35 HA SER 35 54.737 -3.985 -8.085 233 HB2 SER 35 HB2 SER 35 55.620 -2.109 -9.260 234 HB3 SER 35 HB1 SER 35 53.917 -2.208 -9.699 235 HG SER 35 HG SER 35 55.244 -0.407 -7.993 236 H SER 36 HN SER 36 53.494 -1.689 -5.799 237 HA SER 36 HA SER 36 55.928 -0.841 -4.628 238 HB2 SER 36 HB2 SER 36 53.830 0.327 -4.193 239 HB3 SER 36 HB1 SER 36 53.165 -1.108 -3.417 240 HG SER 36 HG SER 36 55.404 0.438 -2.593 241 H ARG 37 HN ARG 37 57.148 -1.668 -2.986 242 HA ARG 37 HA ARG 37 57.220 -4.461 -2.621 243 HB2 ARG 37 HB2 ARG 37 58.458 -2.194 -1.049 244 HB3 ARG 37 HB1 ARG 37 58.804 -3.893 -0.732 245 HG2 ARG 37 HG2 ARG 37 59.111 -2.702 -3.490 246 HG3 ARG 37 HG1 ARG 37 60.417 -2.643 -2.309 247 HD2 ARG 37 HD2 ARG 37 59.041 -5.188 -3.224 248 HD3 ARG 37 HD1 ARG 37 60.587 -4.613 -3.832 249 HE ARG 37 HE ARG 37 60.811 -4.720 -1.056 250 HH11 ARG 37 HH11 ARG 37 60.224 -6.906 -3.707 251 HH12 ARG 37 HH12 ARG 37 60.951 -8.258 -2.908 252 HH21 ARG 37 HH21 ARG 37 61.751 -6.501 -0.038 253 HH22 ARG 37 HH22 ARG 37 61.811 -8.032 -0.844 254 H ARG 38 HN ARG 38 55.843 -1.857 -0.673 255 HA ARG 38 HA ARG 38 54.109 -3.771 0.660 256 HB2 ARG 38 HB2 ARG 38 54.756 -3.107 2.912 257 HB3 ARG 38 HB1 ARG 38 56.152 -3.769 2.061 258 HG2 ARG 38 HG2 ARG 38 56.907 -1.482 1.521 259 HG3 ARG 38 HG1 ARG 38 55.520 -0.820 2.390 260 HD2 ARG 38 HD2 ARG 38 56.293 -1.919 4.460 261 HD3 ARG 38 HD1 ARG 38 57.682 -2.573 3.596 262 HE ARG 38 HE ARG 38 57.661 0.224 3.265 263 HH11 ARG 38 HH11 ARG 38 58.101 -2.181 5.750 264 HH12 ARG 38 HH12 ARG 38 59.154 -1.184 6.692 265 HH21 ARG 38 HH21 ARG 38 59.035 1.502 4.516 266 HH22 ARG 38 HH22 ARG 38 59.682 0.888 6.002 267 H ALA 39 HN ALA 39 52.410 -2.713 1.901 268 HA ALA 39 HA ALA 39 52.138 0.159 1.673 269 HB1 ALA 39 HB1 ALA 39 49.753 -0.455 0.528 270 HB2 ALA 39 HB2 ALA 39 50.775 -1.704 -0.181 271 HB3 ALA 39 HB3 ALA 39 51.190 -0.004 -0.389 272 HA PRO 40 HA PRO 40 49.601 -0.477 5.213 273 HB2 PRO 40 HB2 PRO 40 47.819 1.582 5.054 274 HB3 PRO 40 HB1 PRO 40 49.533 1.815 5.447 275 HG2 PRO 40 HG2 PRO 40 48.102 2.257 2.881 276 HG3 PRO 40 HG1 PRO 40 49.415 3.187 3.618 277 HD2 PRO 40 HD2 PRO 40 49.785 1.369 1.569 278 HD3 PRO 40 HD1 PRO 40 51.050 1.831 2.728 279 H GLN 41 HN GLN 41 48.721 -2.513 4.279 280 HA GLN 41 HA GLN 41 46.061 -2.339 3.100 281 HB2 GLN 41 HB2 GLN 41 47.881 -4.676 3.699 282 HB3 GLN 41 HB1 GLN 41 46.261 -4.850 3.023 283 HG2 GLN 41 HG2 GLN 41 46.865 -3.560 1.069 284 HG3 GLN 41 HG1 GLN 41 48.430 -3.147 1.768 285 HE21 GLN 41 HE21 GLN 41 47.816 -4.689 -0.762 286 HE22 GLN 41 HE22 GLN 41 48.614 -6.176 -0.571 287 H THR 42 HN THR 42 47.033 -1.913 6.090 288 HA THR 42 HA THR 42 45.398 -3.799 7.535 289 HB THR 42 HB THR 42 46.063 -2.523 9.508 290 HG1 THR 42 HG1 THR 42 46.064 -0.452 8.921 291 HG21 THR 42 HG21 THR 42 48.425 -2.905 9.382 292 HG22 THR 42 HG22 THR 42 48.430 -2.685 7.632 293 HG23 THR 42 HG23 THR 42 47.671 -4.112 8.340 294 H GLY 43 HN GLY 43 43.712 -2.990 9.078 295 HA2 GLY 43 HA2 GLY 43 42.360 -0.530 8.567 296 HA3 GLY 43 HA1 GLY 43 41.536 -1.888 7.807 297 H ILE 44 HN ILE 44 40.107 -0.625 9.627 298 HA ILE 44 HA ILE 44 40.436 -1.483 12.316 299 HB ILE 44 HB ILE 44 38.168 -0.656 12.650 300 HG12 ILE 44 HG12 ILE 44 38.044 -0.396 9.627 301 HG13 ILE 44 HG11 ILE 44 37.200 -1.633 10.555 302 HG21 ILE 44 HG21 ILE 44 39.648 1.073 10.651 303 HG22 ILE 44 HG22 ILE 44 40.055 0.955 12.364 304 HG23 ILE 44 HG23 ILE 44 38.500 1.626 11.871 305 HD11 ILE 44 HD11 ILE 44 36.814 1.358 10.814 306 HD12 ILE 44 HD12 ILE 44 36.033 0.151 11.832 307 HD13 ILE 44 HD13 ILE 44 35.672 0.215 10.107 308 H VAL 45 HN VAL 45 38.952 -2.876 9.485 309 HA VAL 45 HA VAL 45 37.297 -4.783 10.727 310 HB VAL 45 HB VAL 45 38.716 -4.803 8.057 311 HG11 VAL 45 HG11 VAL 45 36.739 -6.747 9.274 312 HG12 VAL 45 HG12 VAL 45 38.328 -7.107 8.595 313 HG13 VAL 45 HG13 VAL 45 37.003 -6.622 7.533 314 HG21 VAL 45 HG21 VAL 45 35.766 -4.491 8.651 315 HG22 VAL 45 HG22 VAL 45 36.633 -4.072 7.174 316 HG23 VAL 45 HG23 VAL 45 36.858 -3.108 8.631 317 H ASP 46 HN ASP 46 40.639 -5.038 9.553 318 HA ASP 46 HA ASP 46 40.998 -7.720 10.366 319 HB2 ASP 46 HB2 ASP 46 42.958 -5.490 9.816 320 HB3 ASP 46 HB1 ASP 46 43.457 -7.133 10.215 321 H GLU 47 HN GLU 47 41.622 -4.621 11.990 322 HA GLU 47 HA GLU 47 43.019 -5.659 14.199 323 HB2 GLU 47 HB2 GLU 47 42.895 -3.257 13.657 324 HB3 GLU 47 HB1 GLU 47 41.179 -3.253 14.061 325 HG2 GLU 47 HG2 GLU 47 42.466 -2.419 15.959 326 HG3 GLU 47 HG1 GLU 47 41.755 -3.976 16.375 327 H CYS 48 HN CYS 48 39.532 -4.909 13.871 328 HA CYS 48 HA CYS 48 38.844 -5.961 16.440 329 HB2 CYS 48 HB2 CYS 48 37.149 -5.380 14.004 330 HB3 CYS 48 HB1 CYS 48 36.519 -5.848 15.575 331 H CYS 49 HN CYS 49 38.759 -7.280 13.162 332 HA CYS 49 HA CYS 49 37.407 -9.664 13.754 333 HB2 CYS 49 HB2 CYS 49 37.739 -8.821 11.465 334 HB3 CYS 49 HB1 CYS 49 39.465 -9.159 11.594 335 H PHE 50 HN PHE 50 40.890 -8.970 13.586 336 HA PHE 50 HA PHE 50 41.533 -11.635 14.514 337 HB2 PHE 50 HB2 PHE 50 43.147 -9.233 13.700 338 HB3 PHE 50 HB1 PHE 50 43.916 -10.638 14.446 339 HD1 PHE 50 HD1 PHE 50 41.826 -9.472 11.609 340 HD2 PHE 50 HD2 PHE 50 44.249 -12.654 13.171 341 HE1 PHE 50 HE1 PHE 50 41.774 -10.585 9.399 342 HE2 PHE 50 HE2 PHE 50 44.200 -13.775 10.957 343 HZ PHE 50 HZ PHE 50 42.965 -12.741 9.072 344 H ARG 51 HN ARG 51 42.568 -8.406 15.622 345 HA ARG 51 HA ARG 51 42.979 -9.356 18.319 346 HB2 ARG 51 HB2 ARG 51 43.218 -6.624 17.054 347 HB3 ARG 51 HB1 ARG 51 43.564 -6.949 18.752 348 HG2 ARG 51 HG2 ARG 51 45.302 -8.530 18.158 349 HG3 ARG 51 HG1 ARG 51 44.886 -8.406 16.448 350 HD2 ARG 51 HD2 ARG 51 46.853 -7.024 16.936 351 HD3 ARG 51 HD1 ARG 51 45.491 -6.004 16.486 352 HE ARG 51 HE ARG 51 45.631 -6.372 19.322 353 HH11 ARG 51 HH11 ARG 51 47.030 -4.641 16.639 354 HH12 ARG 51 HH12 ARG 51 47.529 -3.299 17.611 355 HH21 ARG 51 HH21 ARG 51 46.292 -4.603 20.567 356 HH22 ARG 51 HH22 ARG 51 47.116 -3.275 19.818 357 H SER 52 HN SER 52 42.024 -8.195 20.191 358 HA SER 52 HA SER 52 39.142 -7.906 19.786 359 HB2 SER 52 HB2 SER 52 40.836 -8.088 22.283 360 HB3 SER 52 HB1 SER 52 39.085 -7.895 22.290 361 HG SER 52 HG SER 52 38.981 -9.841 21.055 362 H CYS 53 HN CYS 53 39.120 -5.856 18.748 363 HA CYS 53 HA CYS 53 40.306 -3.543 19.956 364 HB2 CYS 53 HB2 CYS 53 39.161 -2.283 18.245 365 HB3 CYS 53 HB1 CYS 53 39.808 -3.749 17.510 366 H ASP 54 HN ASP 54 39.100 -1.691 20.772 367 HA ASP 54 HA ASP 54 36.933 -2.565 22.533 368 HB2 ASP 54 HB2 ASP 54 38.443 0.057 22.461 369 HB3 ASP 54 HB1 ASP 54 37.300 -0.448 23.702 370 H LEU 55 HN LEU 55 34.933 -1.544 22.645 371 HA LEU 55 HA LEU 55 33.859 -0.668 20.156 372 HB2 LEU 55 HB2 LEU 55 32.727 -0.651 22.963 373 HB3 LEU 55 HB1 LEU 55 31.804 -0.202 21.529 374 HG LEU 55 HG LEU 55 33.222 -2.861 21.833 375 HD11 LEU 55 HD11 LEU 55 31.420 -2.550 23.532 376 HD12 LEU 55 HD12 LEU 55 31.041 -3.814 22.362 377 HD13 LEU 55 HD13 LEU 55 30.282 -2.228 22.223 378 HD21 LEU 55 HD21 LEU 55 32.842 -2.375 19.525 379 HD22 LEU 55 HD22 LEU 55 31.248 -1.699 19.853 380 HD23 LEU 55 HD23 LEU 55 31.516 -3.435 19.997 381 H ARG 56 HN ARG 56 35.095 0.973 22.996 382 HA ARG 56 HA ARG 56 33.991 3.511 22.615 383 HB2 ARG 56 HB2 ARG 56 35.221 2.887 24.639 384 HB3 ARG 56 HB1 ARG 56 36.712 2.753 23.709 385 HG2 ARG 56 HG2 ARG 56 36.643 4.911 24.861 386 HG3 ARG 56 HG1 ARG 56 36.534 5.165 23.121 387 HD2 ARG 56 HD2 ARG 56 34.128 5.451 23.258 388 HD3 ARG 56 HD1 ARG 56 34.134 5.013 24.962 389 HE ARG 56 HE ARG 56 35.832 7.216 24.651 390 HH11 ARG 56 HH11 ARG 56 32.465 6.401 24.266 391 HH12 ARG 56 HH12 ARG 56 31.914 8.001 24.624 392 HH21 ARG 56 HH21 ARG 56 35.085 9.293 25.122 393 HH22 ARG 56 HH22 ARG 56 33.386 9.630 25.106 394 H ARG 57 HN ARG 57 37.065 2.179 21.405 395 HA ARG 57 HA ARG 57 37.680 4.526 19.874 396 HB2 ARG 57 HB2 ARG 57 39.504 3.171 18.945 397 HB3 ARG 57 HB1 ARG 57 39.448 3.041 20.705 398 HG2 ARG 57 HG2 ARG 57 38.282 0.916 20.556 399 HG3 ARG 57 HG1 ARG 57 38.187 1.045 18.801 400 HD2 ARG 57 HD2 ARG 57 40.761 0.924 20.391 401 HD3 ARG 57 HD1 ARG 57 40.038 -0.439 19.544 402 HE ARG 57 HE ARG 57 40.303 1.608 17.673 403 HH11 ARG 57 HH11 ARG 57 42.354 -0.325 19.723 404 HH12 ARG 57 HH12 ARG 57 43.702 -0.254 18.643 405 HH21 ARG 57 HH21 ARG 57 42.079 1.689 16.284 406 HH22 ARG 57 HH22 ARG 57 43.550 0.879 16.706 407 H LEU 58 HN LEU 58 35.902 1.601 19.325 408 HA LEU 58 HA LEU 58 35.972 1.497 16.519 409 HB2 LEU 58 HB2 LEU 58 35.061 -0.275 18.083 410 HB3 LEU 58 HB1 LEU 58 33.615 0.723 18.246 411 HG LEU 58 HG LEU 58 33.571 0.705 15.652 412 HD11 LEU 58 HD11 LEU 58 35.142 -1.845 16.074 413 HD12 LEU 58 HD12 LEU 58 35.909 -0.342 15.579 414 HD13 LEU 58 HD13 LEU 58 34.693 -1.087 14.549 415 HD21 LEU 58 HD21 LEU 58 32.495 -1.629 15.712 416 HD22 LEU 58 HD22 LEU 58 31.846 -0.427 16.824 417 HD23 LEU 58 HD23 LEU 58 32.950 -1.668 17.415 418 H ASP 59 HN ASP 59 33.967 3.331 18.756 419 HA ASP 59 HA ASP 59 32.025 4.278 17.000 420 HB2 ASP 59 HB2 ASP 59 32.018 4.574 19.483 421 HB3 ASP 59 HB1 ASP 59 33.246 5.825 19.289 422 H MET 60 HN MET 60 35.381 5.176 17.321 423 HA MET 60 HA MET 60 35.262 7.734 16.135 424 HB2 MET 60 HB2 MET 60 37.495 5.690 16.198 425 HB3 MET 60 HB1 MET 60 37.683 7.340 15.603 426 HG2 MET 60 HG2 MET 60 36.777 8.129 17.846 427 HG3 MET 60 HG1 MET 60 36.948 6.466 18.405 428 HE1 MET 60 HE1 MET 60 38.809 5.114 18.203 429 HE2 MET 60 HE2 MET 60 40.429 5.617 18.679 430 HE3 MET 60 HE3 MET 60 40.002 5.545 16.972 431 H TYR 61 HN TYR 61 35.159 4.519 14.796 432 HA TYR 61 HA TYR 61 35.772 5.325 12.083 433 HB2 TYR 61 HB2 TYR 61 34.362 2.785 12.911 434 HB3 TYR 61 HB1 TYR 61 35.338 3.082 11.486 435 HD1 TYR 61 HD1 TYR 61 35.650 0.997 13.937 436 HD2 TYR 61 HD2 TYR 61 37.581 4.638 12.728 437 HE1 TYR 61 HE1 TYR 61 37.721 0.285 15.101 438 HE2 TYR 61 HE2 TYR 61 39.651 3.929 13.889 439 HH TYR 61 HH TYR 61 40.378 0.960 14.691 440 H CYS 62 HN CYS 62 33.119 5.887 14.013 441 HA CYS 62 HA CYS 62 30.999 5.385 12.177 442 HB2 CYS 62 HB2 CYS 62 31.182 7.323 14.497 443 HB3 CYS 62 HB1 CYS 62 29.698 6.911 13.642 444 H ALA 63 HN ALA 63 29.974 6.772 10.758 445 HA ALA 63 HA ALA 63 31.610 8.774 9.551 446 HB1 ALA 63 HB1 ALA 63 28.744 8.600 8.808 447 HB2 ALA 63 HB2 ALA 63 29.686 7.123 8.606 448 HB3 ALA 63 HB3 ALA 63 30.180 8.602 7.783 449 HA PRO 64 HA PRO 64 30.321 12.575 11.326 450 HB2 PRO 64 HB2 PRO 64 29.082 13.343 8.715 451 HB3 PRO 64 HB1 PRO 64 30.296 14.201 9.682 452 HG2 PRO 64 HG2 PRO 64 30.968 12.909 7.464 453 HG3 PRO 64 HG1 PRO 64 32.034 12.931 8.880 454 HD2 PRO 64 HD2 PRO 64 30.320 10.699 7.854 455 HD3 PRO 64 HD1 PRO 64 31.884 10.643 8.693 456 H LEU 65 HN LEU 65 28.578 13.247 12.501 457 HA LEU 65 HA LEU 65 25.963 12.061 11.856 458 HB2 LEU 65 HB2 LEU 65 25.399 12.626 14.210 459 HB3 LEU 65 HB1 LEU 65 26.799 11.560 14.089 460 HG LEU 65 HG LEU 65 27.713 14.272 13.938 461 HD11 LEU 65 HD11 LEU 65 26.976 15.132 16.087 462 HD12 LEU 65 HD12 LEU 65 26.060 13.658 16.401 463 HD13 LEU 65 HD13 LEU 65 25.549 14.757 15.119 464 HD21 LEU 65 HD21 LEU 65 28.867 12.138 14.754 465 HD22 LEU 65 HD22 LEU 65 27.963 12.343 16.257 466 HD23 LEU 65 HD23 LEU 65 29.116 13.577 15.745 467 H LYS 66 HN LYS 66 27.156 14.491 10.578 468 HA LYS 66 HA LYS 66 25.779 16.763 11.595 469 HB2 LYS 66 HB2 LYS 66 27.113 16.216 8.948 470 HB3 LYS 66 HB1 LYS 66 26.383 17.770 9.354 471 HG2 LYS 66 HG2 LYS 66 27.863 18.027 11.264 472 HG3 LYS 66 HG1 LYS 66 28.519 16.407 11.022 473 HD2 LYS 66 HD2 LYS 66 30.089 17.982 10.077 474 HD3 LYS 66 HD1 LYS 66 29.293 17.151 8.740 475 HE2 LYS 66 HE2 LYS 66 27.764 19.034 8.433 476 HE3 LYS 66 HE1 LYS 66 28.465 19.858 9.826 477 HZ1 LYS 66 HZ1 LYS 66 29.618 19.394 7.166 478 HZ2 LYS 66 HZ2 LYS 66 30.659 19.517 8.502 479 HZ3 LYS 66 HZ3 LYS 66 29.621 20.804 8.110 480 HA PRO 67 HA PRO 67 21.701 16.447 9.960 481 HB2 PRO 67 HB2 PRO 67 22.123 19.064 8.585 482 HB3 PRO 67 HB1 PRO 67 20.850 18.578 9.722 483 HG2 PRO 67 HG2 PRO 67 22.810 20.179 10.489 484 HG3 PRO 67 HG1 PRO 67 22.186 18.919 11.570 485 HD2 PRO 67 HD2 PRO 67 24.743 18.952 9.995 486 HD3 PRO 67 HD1 PRO 67 24.418 18.290 11.613 487 H ALA 68 HN ALA 68 20.709 15.616 8.152 488 HA ALA 68 HA ALA 68 22.239 14.831 5.924 489 HB1 ALA 68 HB1 ALA 68 19.232 15.071 5.955 490 HB2 ALA 68 HB2 ALA 68 20.089 13.775 6.787 491 HB3 ALA 68 HB3 ALA 68 20.220 13.936 5.035 492 H LYS 69 HN LYS 69 20.009 17.523 6.409 493 HA LYS 69 HA LYS 69 20.968 18.673 3.858 494 HB2 LYS 69 HB2 LYS 69 18.180 18.808 5.031 495 HB3 LYS 69 HB1 LYS 69 18.723 19.727 3.627 496 HG2 LYS 69 HG2 LYS 69 19.193 17.675 2.405 497 HG3 LYS 69 HG1 LYS 69 18.811 16.704 3.826 498 HD2 LYS 69 HD2 LYS 69 16.872 16.669 2.394 499 HD3 LYS 69 HD1 LYS 69 16.488 17.704 3.772 500 HE2 LYS 69 HE2 LYS 69 16.991 19.701 2.450 501 HE3 LYS 69 HE1 LYS 69 17.471 18.700 1.081 502 HZ1 LYS 69 HZ1 LYS 69 14.802 18.358 2.266 503 HZ2 LYS 69 HZ2 LYS 69 15.321 18.057 0.675 504 HZ3 LYS 69 HZ3 LYS 69 15.081 19.653 1.207 505 H SER 70 HN SER 70 21.410 20.858 3.844 506 HA SER 70 HA SER 70 22.242 22.052 6.256 507 HB2 SER 70 HB2 SER 70 23.194 22.673 4.083 508 HB3 SER 70 HB1 SER 70 21.645 23.344 3.582 509 HG SER 70 HG SER 70 23.579 24.525 4.941 510 H ALA 71 HN ALA 71 19.336 22.544 4.274 511 HA ALA 71 HA ALA 71 17.757 23.285 6.532 512 HB1 ALA 71 HB1 ALA 71 17.466 25.591 6.210 513 HB2 ALA 71 HB2 ALA 71 18.167 25.548 4.593 514 HB3 ALA 71 HB3 ALA 71 19.203 25.370 6.008 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 27.911 -17.104 28.734 2 H2 GLY 1 HT2 GLY 1 28.865 -16.990 27.332 3 H3 GLY 1 HT3 GLY 1 28.948 -15.778 28.521 4 HA2 GLY 1 HA2 GLY 1 30.278 -16.972 29.882 5 HA3 GLY 1 HA1 GLY 1 29.549 -18.497 29.378 6 H GLY 2 HN GLY 2 32.413 -17.377 29.489 7 HA2 GLY 2 HA2 GLY 2 34.314 -18.084 28.334 8 HA3 GLY 2 HA1 GLY 2 33.282 -18.629 27.017 9 HA PRO 3 HA PRO 3 35.226 -14.557 25.853 10 HB2 PRO 3 HB2 PRO 3 36.970 -15.431 23.971 11 HB3 PRO 3 HB1 PRO 3 37.376 -15.364 25.696 12 HG2 PRO 3 HG2 PRO 3 36.716 -17.688 23.993 13 HG3 PRO 3 HG1 PRO 3 37.759 -17.587 25.419 14 HD2 PRO 3 HD2 PRO 3 35.109 -18.549 25.356 15 HD3 PRO 3 HD1 PRO 3 36.049 -18.173 26.816 16 H GLU 4 HN GLU 4 35.267 -13.553 23.619 17 HA GLU 4 HA GLU 4 33.898 -14.847 21.474 18 HB2 GLU 4 HB2 GLU 4 31.888 -13.470 21.476 19 HB3 GLU 4 HB1 GLU 4 31.997 -14.361 22.994 20 HG2 GLU 4 HG2 GLU 4 33.012 -12.363 24.069 21 HG3 GLU 4 HG1 GLU 4 32.812 -11.473 22.560 22 H THR 5 HN THR 5 34.193 -13.773 19.579 23 HA THR 5 HA THR 5 35.380 -11.071 19.695 24 HB THR 5 HB THR 5 36.945 -11.697 17.921 25 HG1 THR 5 HG1 THR 5 35.936 -14.322 18.263 26 HG21 THR 5 HG21 THR 5 36.957 -13.615 20.269 27 HG22 THR 5 HG22 THR 5 37.673 -12.003 20.239 28 HG23 THR 5 HG23 THR 5 38.339 -13.284 19.226 29 H LEU 6 HN LEU 6 35.207 -9.864 17.661 30 HA LEU 6 HA LEU 6 32.759 -10.619 16.181 31 HB2 LEU 6 HB2 LEU 6 33.962 -7.874 16.624 32 HB3 LEU 6 HB1 LEU 6 32.474 -8.218 15.743 33 HG LEU 6 HG LEU 6 32.942 -8.925 18.654 34 HD11 LEU 6 HD11 LEU 6 31.154 -6.752 17.536 35 HD12 LEU 6 HD12 LEU 6 32.802 -6.438 18.085 36 HD13 LEU 6 HD13 LEU 6 31.590 -7.035 19.221 37 HD21 LEU 6 HD21 LEU 6 30.579 -9.123 16.777 38 HD22 LEU 6 HD22 LEU 6 30.388 -9.163 18.528 39 HD23 LEU 6 HD23 LEU 6 31.326 -10.415 17.714 40 H CYS 7 HN CYS 7 32.964 -11.093 14.093 41 HA CYS 7 HA CYS 7 34.862 -9.769 12.382 42 HB2 CYS 7 HB2 CYS 7 36.315 -11.435 13.533 43 HB3 CYS 7 HB1 CYS 7 35.283 -12.718 12.901 44 H GLY 8 HN GLY 8 34.244 -9.895 10.272 45 HA2 GLY 8 HA2 GLY 8 33.204 -10.839 8.379 46 HA3 GLY 8 HA1 GLY 8 32.390 -11.996 9.427 47 H ALA 9 HN ALA 9 30.323 -11.629 8.676 48 HA ALA 9 HA ALA 9 29.153 -9.117 8.204 49 HB1 ALA 9 HB1 ALA 9 28.071 -11.857 8.763 50 HB2 ALA 9 HB2 ALA 9 27.954 -10.891 7.294 51 HB3 ALA 9 HB3 ALA 9 26.975 -10.478 8.702 52 H GLU 10 HN GLU 10 29.351 -11.097 11.130 53 HA GLU 10 HA GLU 10 27.576 -9.643 12.740 54 HB2 GLU 10 HB2 GLU 10 28.466 -11.834 13.390 55 HB3 GLU 10 HB1 GLU 10 30.081 -11.143 13.541 56 HG2 GLU 10 HG2 GLU 10 29.015 -11.285 15.744 57 HG3 GLU 10 HG1 GLU 10 29.243 -9.603 15.286 58 H LEU 11 HN LEU 11 31.051 -9.230 12.157 59 HA LEU 11 HA LEU 11 31.458 -7.132 13.992 60 HB2 LEU 11 HB2 LEU 11 33.330 -8.347 13.020 61 HB3 LEU 11 HB1 LEU 11 32.907 -7.765 11.410 62 HG LEU 11 HG LEU 11 33.302 -5.438 12.148 63 HD11 LEU 11 HD11 LEU 11 33.952 -6.813 14.763 64 HD12 LEU 11 HD12 LEU 11 32.761 -5.546 14.478 65 HD13 LEU 11 HD13 LEU 11 34.482 -5.172 14.394 66 HD21 LEU 11 HD21 LEU 11 35.165 -6.718 11.175 67 HD22 LEU 11 HD22 LEU 11 35.591 -7.325 12.775 68 HD23 LEU 11 HD23 LEU 11 35.745 -5.607 12.413 69 H VAL 12 HN VAL 12 30.591 -7.126 10.553 70 HA VAL 12 HA VAL 12 30.662 -4.361 10.146 71 HB VAL 12 HB VAL 12 29.152 -6.595 8.813 72 HG11 VAL 12 HG11 VAL 12 29.037 -3.604 8.277 73 HG12 VAL 12 HG12 VAL 12 27.683 -4.710 8.512 74 HG13 VAL 12 HG13 VAL 12 28.645 -4.799 7.039 75 HG21 VAL 12 HG21 VAL 12 31.450 -4.768 8.047 76 HG22 VAL 12 HG22 VAL 12 30.685 -5.908 6.939 77 HG23 VAL 12 HG23 VAL 12 31.526 -6.501 8.371 78 H ASP 13 HN ASP 13 28.023 -6.489 11.182 79 HA ASP 13 HA ASP 13 25.970 -4.576 11.258 80 HB2 ASP 13 HB2 ASP 13 25.585 -7.007 11.446 81 HB3 ASP 13 HB1 ASP 13 26.338 -6.995 13.039 82 H ALA 14 HN ALA 14 28.376 -5.517 13.683 83 HA ALA 14 HA ALA 14 27.372 -4.033 15.847 84 HB1 ALA 14 HB1 ALA 14 29.352 -5.759 15.680 85 HB2 ALA 14 HB2 ALA 14 29.387 -4.485 16.901 86 HB3 ALA 14 HB3 ALA 14 30.324 -4.312 15.416 87 H LEU 15 HN LEU 15 29.573 -3.122 13.214 88 HA LEU 15 HA LEU 15 30.258 -0.563 14.167 89 HB2 LEU 15 HB2 LEU 15 30.084 -1.713 11.381 90 HB3 LEU 15 HB1 LEU 15 30.668 -0.078 11.697 91 HG LEU 15 HG LEU 15 31.821 -2.526 13.059 92 HD11 LEU 15 HD11 LEU 15 32.041 -2.487 10.492 93 HD12 LEU 15 HD12 LEU 15 33.540 -2.598 11.413 94 HD13 LEU 15 HD13 LEU 15 33.049 -1.054 10.714 95 HD21 LEU 15 HD21 LEU 15 32.648 0.375 12.754 96 HD22 LEU 15 HD22 LEU 15 33.759 -0.875 13.312 97 HD23 LEU 15 HD23 LEU 15 32.318 -0.498 14.250 98 H GLN 16 HN GLN 16 27.597 -1.630 12.069 99 HA GLN 16 HA GLN 16 26.524 0.944 11.579 100 HB2 GLN 16 HB2 GLN 16 25.949 -1.067 10.251 101 HB3 GLN 16 HB1 GLN 16 25.084 -1.716 11.644 102 HG2 GLN 16 HG2 GLN 16 23.603 0.257 11.641 103 HG3 GLN 16 HG1 GLN 16 24.460 0.895 10.243 104 HE21 GLN 16 HE21 GLN 16 23.182 0.569 8.417 105 HE22 GLN 16 HE22 GLN 16 22.317 -0.853 8.080 106 H PHE 17 HN PHE 17 25.878 -1.488 14.077 107 HA PHE 17 HA PHE 17 23.711 -0.189 15.324 108 HB2 PHE 17 HB2 PHE 17 24.130 -2.455 15.905 109 HB3 PHE 17 HB1 PHE 17 25.799 -2.113 16.360 110 HD1 PHE 17 HD1 PHE 17 22.247 -1.704 17.335 111 HD2 PHE 17 HD2 PHE 17 26.352 -1.111 18.490 112 HE1 PHE 17 HE1 PHE 17 21.525 -1.224 19.660 113 HE2 PHE 17 HE2 PHE 17 25.621 -0.640 20.816 114 HZ PHE 17 HZ PHE 17 23.211 -0.696 21.400 115 H VAL 18 HN VAL 18 27.191 -0.111 16.085 116 HA VAL 18 HA VAL 18 26.994 1.721 18.223 117 HB VAL 18 HB VAL 18 29.293 1.078 16.368 118 HG11 VAL 18 HG11 VAL 18 29.157 2.734 18.895 119 HG12 VAL 18 HG12 VAL 18 29.714 3.256 17.304 120 HG13 VAL 18 HG13 VAL 18 30.663 2.097 18.234 121 HG21 VAL 18 HG21 VAL 18 30.037 -0.357 18.147 122 HG22 VAL 18 HG22 VAL 18 28.334 -0.729 17.878 123 HG23 VAL 18 HG23 VAL 18 28.812 0.272 19.248 124 H CYS 19 HN CYS 19 27.541 2.172 14.754 125 HA CYS 19 HA CYS 19 27.710 5.059 15.046 126 HB2 CYS 19 HB2 CYS 19 27.662 3.317 12.571 127 HB3 CYS 19 HB1 CYS 19 27.990 5.047 12.608 128 H GLY 20 HN GLY 20 25.198 3.046 15.287 129 HA2 GLY 20 HA2 GLY 20 22.948 3.164 14.882 130 HA3 GLY 20 HA1 GLY 20 23.195 4.901 15.045 131 H ASP 21 HN ASP 21 22.150 5.871 13.430 132 HA ASP 21 HA ASP 21 22.072 4.632 10.778 133 HB2 ASP 21 HB2 ASP 21 20.434 6.380 10.255 134 HB3 ASP 21 HB1 ASP 21 19.985 5.521 11.727 135 H ARG 22 HN ARG 22 24.107 6.685 12.425 136 HA ARG 22 HA ARG 22 24.625 8.704 10.520 137 HB2 ARG 22 HB2 ARG 22 26.342 7.508 12.702 138 HB3 ARG 22 HB1 ARG 22 26.810 8.906 11.745 139 HG2 ARG 22 HG2 ARG 22 24.880 10.157 12.519 140 HG3 ARG 22 HG1 ARG 22 24.248 8.738 13.353 141 HD2 ARG 22 HD2 ARG 22 26.918 10.017 13.979 142 HD3 ARG 22 HD1 ARG 22 25.431 10.359 14.862 143 HE ARG 22 HE ARG 22 25.768 7.583 14.862 144 HH11 ARG 22 HH11 ARG 22 27.387 10.442 16.015 145 HH12 ARG 22 HH12 ARG 22 28.089 9.646 17.375 146 HH21 ARG 22 HH21 ARG 22 26.701 6.553 16.658 147 HH22 ARG 22 HH22 ARG 22 27.704 7.455 17.743 148 H GLY 23 HN GLY 23 25.946 5.466 11.043 149 HA2 GLY 23 HA2 GLY 23 26.797 4.076 9.318 150 HA3 GLY 23 HA1 GLY 23 27.000 5.497 8.296 151 H PHE 24 HN PHE 24 29.105 4.048 8.145 152 HA PHE 24 HA PHE 24 31.129 5.439 9.729 153 HB2 PHE 24 HB2 PHE 24 32.288 3.245 10.179 154 HB3 PHE 24 HB1 PHE 24 30.791 3.483 11.079 155 HD1 PHE 24 HD1 PHE 24 32.433 1.633 8.357 156 HD2 PHE 24 HD2 PHE 24 28.760 2.248 10.498 157 HE1 PHE 24 HE1 PHE 24 31.497 -0.430 7.360 158 HE2 PHE 24 HE2 PHE 24 27.827 0.180 9.503 159 HZ PHE 24 HZ PHE 24 29.201 -1.159 7.930 160 H TYR 25 HN TYR 25 33.354 4.945 8.908 161 HA TYR 25 HA TYR 25 33.316 4.256 6.032 162 HB2 TYR 25 HB2 TYR 25 34.812 6.116 5.558 163 HB3 TYR 25 HB1 TYR 25 33.364 6.731 6.353 164 HD1 TYR 25 HD1 TYR 25 36.951 5.972 6.772 165 HD2 TYR 25 HD2 TYR 25 33.440 7.601 8.616 166 HE1 TYR 25 HE1 TYR 25 38.351 6.935 8.566 167 HE2 TYR 25 HE2 TYR 25 34.839 8.578 10.420 168 HH TYR 25 HH TYR 25 37.887 7.640 11.083 169 H PHE 26 HN PHE 26 35.566 3.862 5.197 170 HA PHE 26 HA PHE 26 37.164 2.472 7.260 171 HB2 PHE 26 HB2 PHE 26 36.887 1.877 4.301 172 HB3 PHE 26 HB1 PHE 26 37.950 1.012 5.412 173 HD1 PHE 26 HD1 PHE 26 34.473 1.589 4.378 174 HD2 PHE 26 HD2 PHE 26 37.029 -0.421 7.179 175 HE1 PHE 26 HE1 PHE 26 32.584 0.134 5.057 176 HE2 PHE 26 HE2 PHE 26 35.140 -1.876 7.863 177 HZ PHE 26 HZ PHE 26 32.918 -1.598 6.800 178 H ASN 27 HN ASN 27 37.136 4.978 4.924 179 HA ASN 27 HA ASN 27 40.078 5.110 4.882 180 HB2 ASN 27 HB2 ASN 27 37.954 6.406 3.163 181 HB3 ASN 27 HB1 ASN 27 39.663 6.828 3.072 182 HD21 ASN 27 HD21 ASN 27 38.102 5.560 0.916 183 HD22 ASN 27 HD22 ASN 27 38.820 4.049 0.626 184 H LYS 28 HN LYS 28 40.972 6.380 6.356 185 HA LYS 28 HA LYS 28 39.469 8.328 7.797 186 HB2 LYS 28 HB2 LYS 28 42.405 7.624 7.798 187 HB3 LYS 28 HB1 LYS 28 41.703 8.837 8.862 188 HG2 LYS 28 HG2 LYS 28 40.170 7.159 9.797 189 HG3 LYS 28 HG1 LYS 28 40.838 5.936 8.715 190 HD2 LYS 28 HD2 LYS 28 43.057 6.226 9.750 191 HD3 LYS 28 HD1 LYS 28 42.396 7.453 10.832 192 HE2 LYS 28 HE2 LYS 28 40.845 5.793 11.783 193 HE3 LYS 28 HE1 LYS 28 41.485 4.563 10.693 194 HZ1 LYS 28 HZ1 LYS 28 43.071 6.043 12.722 195 HZ2 LYS 28 HZ2 LYS 28 43.648 4.812 11.702 196 HZ3 LYS 28 HZ3 LYS 28 42.496 4.457 12.899 197 HA PRO 29 HA PRO 29 40.083 12.065 5.549 198 HB2 PRO 29 HB2 PRO 29 41.414 13.198 7.976 199 HB3 PRO 29 HB1 PRO 29 40.037 13.822 7.048 200 HG2 PRO 29 HG2 PRO 29 39.683 12.668 9.408 201 HG3 PRO 29 HG1 PRO 29 38.528 12.424 8.084 202 HD2 PRO 29 HD2 PRO 29 40.592 10.552 9.154 203 HD3 PRO 29 HD1 PRO 29 38.988 10.206 8.472 204 H THR 30 HN THR 30 42.850 10.990 7.502 205 HA THR 30 HA THR 30 44.630 11.488 5.236 206 HB THR 30 HB THR 30 44.680 13.577 6.589 207 HG1 THR 30 HG1 THR 30 46.967 13.533 6.855 208 HG21 THR 30 HG21 THR 30 44.171 12.510 8.771 209 HG22 THR 30 HG22 THR 30 45.624 13.508 8.847 210 HG23 THR 30 HG23 THR 30 45.764 11.751 8.753 211 H GLY 31 HN GLY 31 46.410 10.147 5.202 212 HA2 GLY 31 HA2 GLY 31 46.525 8.112 7.349 213 HA3 GLY 31 HA1 GLY 31 46.845 7.763 5.654 214 H TYR 32 HN TYR 32 48.038 10.785 6.718 215 HA TYR 32 HA TYR 32 50.710 10.172 6.141 216 HB2 TYR 32 HB2 TYR 32 49.908 12.458 6.072 217 HB3 TYR 32 HB1 TYR 32 49.534 12.409 7.795 218 HD1 TYR 32 HD1 TYR 32 52.343 12.102 5.353 219 HD2 TYR 32 HD2 TYR 32 51.185 12.910 9.408 220 HE1 TYR 32 HE1 TYR 32 54.667 12.789 5.880 221 HE2 TYR 32 HE2 TYR 32 53.509 13.596 9.936 222 HH TYR 32 HH TYR 32 55.841 14.186 7.527 223 H GLY 33 HN GLY 33 49.077 10.543 9.266 224 HA2 GLY 33 HA2 GLY 33 49.634 9.813 11.383 225 HA3 GLY 33 HA1 GLY 33 50.430 8.470 10.569 226 H SER 34 HN SER 34 52.416 8.270 11.393 227 HA SER 34 HA SER 34 54.025 10.722 11.784 228 HB2 SER 34 HB2 SER 34 55.294 9.445 13.465 229 HB3 SER 34 HB1 SER 34 53.587 9.534 13.885 230 HG SER 34 HG SER 34 53.323 7.450 13.112 231 H SER 35 HN SER 35 53.608 8.763 9.404 232 HA SER 35 HA SER 35 56.402 8.672 8.665 233 HB2 SER 35 HB2 SER 35 56.132 6.514 9.767 234 HB3 SER 35 HB1 SER 35 54.688 6.180 8.815 235 HG SER 35 HG SER 35 57.045 5.483 8.165 236 H SER 36 HN SER 36 56.652 8.960 6.529 237 HA SER 36 HA SER 36 54.522 9.807 4.918 238 HB2 SER 36 HB2 SER 36 56.823 10.527 4.502 239 HB3 SER 36 HB1 SER 36 57.264 8.877 4.076 240 HG SER 36 HG SER 36 55.944 10.795 2.625 241 H ARG 37 HN ARG 37 56.230 6.753 5.059 242 HA ARG 37 HA ARG 37 54.930 5.504 2.876 243 HB2 ARG 37 HB2 ARG 37 57.010 4.632 3.891 244 HB3 ARG 37 HB1 ARG 37 56.105 4.203 5.343 245 HG2 ARG 37 HG2 ARG 37 54.720 2.653 4.094 246 HG3 ARG 37 HG1 ARG 37 55.446 3.169 2.571 247 HD2 ARG 37 HD2 ARG 37 56.984 1.904 4.850 248 HD3 ARG 37 HD1 ARG 37 56.393 1.025 3.443 249 HE ARG 37 HE ARG 37 57.886 3.175 2.479 250 HH11 ARG 37 HH11 ARG 37 58.339 0.336 4.441 251 HH12 ARG 37 HH12 ARG 37 59.989 0.130 3.982 252 HH21 ARG 37 HH21 ARG 37 60.059 2.887 1.884 253 HH22 ARG 37 HH22 ARG 37 60.964 1.564 2.541 254 H ARG 38 HN ARG 38 52.981 4.569 2.678 255 HA ARG 38 HA ARG 38 51.336 4.295 5.127 256 HB2 ARG 38 HB2 ARG 38 50.506 5.061 2.319 257 HB3 ARG 38 HB1 ARG 38 49.375 4.698 3.624 258 HG2 ARG 38 HG2 ARG 38 50.311 6.521 4.974 259 HG3 ARG 38 HG1 ARG 38 51.492 6.867 3.709 260 HD2 ARG 38 HD2 ARG 38 49.668 7.390 2.139 261 HD3 ARG 38 HD1 ARG 38 48.481 7.029 3.385 262 HE ARG 38 HE ARG 38 48.941 9.096 4.352 263 HH11 ARG 38 HH11 ARG 38 51.385 8.242 2.022 264 HH12 ARG 38 HH12 ARG 38 52.138 9.792 2.064 265 HH21 ARG 38 HH21 ARG 38 49.954 11.128 4.397 266 HH22 ARG 38 HH22 ARG 38 51.339 11.420 3.400 267 H ALA 39 HN ALA 39 50.314 2.391 5.470 268 HA ALA 39 HA ALA 39 50.400 0.362 3.327 269 HB1 ALA 39 HB1 ALA 39 50.894 -1.328 5.140 270 HB2 ALA 39 HB2 ALA 39 51.228 0.029 6.215 271 HB3 ALA 39 HB3 ALA 39 52.218 -0.221 4.776 272 HA PRO 40 HA PRO 40 46.220 0.654 5.324 273 HB2 PRO 40 HB2 PRO 40 44.805 1.285 3.083 274 HB3 PRO 40 HB1 PRO 40 45.594 2.504 4.096 275 HG2 PRO 40 HG2 PRO 40 46.421 1.392 1.476 276 HG3 PRO 40 HG1 PRO 40 46.641 3.018 2.138 277 HD2 PRO 40 HD2 PRO 40 48.613 1.034 2.054 278 HD3 PRO 40 HD1 PRO 40 48.653 2.479 3.087 279 H GLN 41 HN GLN 41 47.297 -1.734 5.021 280 HA GLN 41 HA GLN 41 45.524 -3.232 3.189 281 HB2 GLN 41 HB2 GLN 41 48.275 -3.895 4.251 282 HB3 GLN 41 HB1 GLN 41 47.251 -5.057 3.408 283 HG2 GLN 41 HG2 GLN 41 47.213 -3.685 1.418 284 HG3 GLN 41 HG1 GLN 41 48.035 -2.370 2.255 285 HE21 GLN 41 HE21 GLN 41 48.925 -3.983 -0.157 286 HE22 GLN 41 HE22 GLN 41 50.442 -4.609 0.278 287 H THR 42 HN THR 42 45.258 -2.251 6.119 288 HA THR 42 HA THR 42 44.709 -4.876 7.339 289 HB THR 42 HB THR 42 44.684 -3.567 9.494 290 HG1 THR 42 HG1 THR 42 45.314 -1.498 9.454 291 HG21 THR 42 HG21 THR 42 46.660 -4.861 8.681 292 HG22 THR 42 HG22 THR 42 47.112 -3.458 9.649 293 HG23 THR 42 HG23 THR 42 47.251 -3.398 7.892 294 H GLY 43 HN GLY 43 43.427 -1.663 8.073 295 HA2 GLY 43 HA2 GLY 43 41.250 -0.842 7.671 296 HA3 GLY 43 HA1 GLY 43 40.756 -2.462 7.188 297 H ILE 44 HN ILE 44 39.245 -0.916 8.949 298 HA ILE 44 HA ILE 44 39.756 -1.457 11.688 299 HB ILE 44 HB ILE 44 37.439 -0.787 12.049 300 HG12 ILE 44 HG12 ILE 44 37.191 -0.914 9.031 301 HG13 ILE 44 HG11 ILE 44 36.449 -2.045 10.156 302 HG21 ILE 44 HG21 ILE 44 38.642 0.850 9.805 303 HG22 ILE 44 HG22 ILE 44 39.200 0.923 11.477 304 HG23 ILE 44 HG23 ILE 44 37.557 1.425 11.071 305 HD11 ILE 44 HD11 ILE 44 35.854 0.894 9.845 306 HD12 ILE 44 HD12 ILE 44 35.327 -0.040 11.247 307 HD13 ILE 44 HD13 ILE 44 34.752 -0.467 9.636 308 H VAL 45 HN VAL 45 38.208 -3.260 9.125 309 HA VAL 45 HA VAL 45 36.800 -5.137 10.682 310 HB VAL 45 HB VAL 45 38.009 -5.319 7.920 311 HG11 VAL 45 HG11 VAL 45 36.283 -7.292 9.443 312 HG12 VAL 45 HG12 VAL 45 37.878 -7.591 8.743 313 HG13 VAL 45 HG13 VAL 45 36.485 -7.327 7.692 314 HG21 VAL 45 HG21 VAL 45 35.544 -5.224 7.323 315 HG22 VAL 45 HG22 VAL 45 36.178 -3.752 8.055 316 HG23 VAL 45 HG23 VAL 45 35.217 -4.872 9.019 317 H ASP 46 HN ASP 46 40.064 -5.279 9.289 318 HA ASP 46 HA ASP 46 40.713 -7.828 10.312 319 HB2 ASP 46 HB2 ASP 46 42.420 -5.501 9.417 320 HB3 ASP 46 HB1 ASP 46 43.102 -7.043 9.936 321 H GLU 47 HN GLU 47 41.090 -4.559 11.613 322 HA GLU 47 HA GLU 47 42.766 -5.191 13.774 323 HB2 GLU 47 HB2 GLU 47 40.649 -3.052 13.426 324 HB3 GLU 47 HB1 GLU 47 41.732 -3.119 14.815 325 HG2 GLU 47 HG2 GLU 47 43.675 -2.890 13.399 326 HG3 GLU 47 HG1 GLU 47 42.693 -3.050 11.945 327 H CYS 48 HN CYS 48 39.207 -4.917 13.709 328 HA CYS 48 HA CYS 48 38.879 -5.851 16.399 329 HB2 CYS 48 HB2 CYS 48 36.925 -5.604 14.110 330 HB3 CYS 48 HB1 CYS 48 36.496 -6.062 15.740 331 H CYS 49 HN CYS 49 38.643 -7.370 13.202 332 HA CYS 49 HA CYS 49 37.631 -9.849 14.002 333 HB2 CYS 49 HB2 CYS 49 37.756 -9.131 11.647 334 HB3 CYS 49 HB1 CYS 49 39.514 -9.243 11.706 335 H PHE 50 HN PHE 50 41.016 -8.825 13.545 336 HA PHE 50 HA PHE 50 41.992 -11.332 14.581 337 HB2 PHE 50 HB2 PHE 50 43.308 -8.811 13.595 338 HB3 PHE 50 HB1 PHE 50 44.252 -10.104 14.356 339 HD1 PHE 50 HD1 PHE 50 41.912 -9.289 11.567 340 HD2 PHE 50 HD2 PHE 50 44.743 -12.106 13.142 341 HE1 PHE 50 HE1 PHE 50 41.879 -10.501 9.412 342 HE2 PHE 50 HE2 PHE 50 44.719 -13.330 10.985 343 HZ PHE 50 HZ PHE 50 43.293 -12.532 9.120 344 H ARG 51 HN ARG 51 42.828 -7.983 15.493 345 HA ARG 51 HA ARG 51 43.380 -8.788 18.210 346 HB2 ARG 51 HB2 ARG 51 43.462 -6.123 16.801 347 HB3 ARG 51 HB1 ARG 51 43.845 -6.329 18.510 348 HG2 ARG 51 HG2 ARG 51 45.654 -7.858 17.986 349 HG3 ARG 51 HG1 ARG 51 45.208 -7.862 16.279 350 HD2 ARG 51 HD2 ARG 51 46.006 -5.358 17.770 351 HD3 ARG 51 HD1 ARG 51 47.155 -6.351 16.879 352 HE ARG 51 HE ARG 51 45.053 -5.774 15.133 353 HH11 ARG 51 HH11 ARG 51 47.503 -4.098 16.953 354 HH12 ARG 51 HH12 ARG 51 47.635 -2.803 15.818 355 HH21 ARG 51 HH21 ARG 51 45.243 -4.063 13.652 356 HH22 ARG 51 HH22 ARG 51 46.365 -2.779 13.956 357 H SER 52 HN SER 52 42.401 -7.652 20.069 358 HA SER 52 HA SER 52 39.502 -7.507 19.741 359 HB2 SER 52 HB2 SER 52 40.373 -8.804 21.614 360 HB3 SER 52 HB1 SER 52 41.264 -7.403 22.203 361 HG SER 52 HG SER 52 39.412 -7.340 23.328 362 H CYS 53 HN CYS 53 39.051 -5.557 18.768 363 HA CYS 53 HA CYS 53 40.247 -3.092 19.679 364 HB2 CYS 53 HB2 CYS 53 38.737 -2.040 18.059 365 HB3 CYS 53 HB1 CYS 53 39.570 -3.402 17.328 366 H ASP 54 HN ASP 54 39.301 -1.481 20.889 367 HA ASP 54 HA ASP 54 37.266 -2.335 22.751 368 HB2 ASP 54 HB2 ASP 54 39.307 -0.871 23.275 369 HB3 ASP 54 HB1 ASP 54 38.401 0.446 22.530 370 H LEU 55 HN LEU 55 35.247 -1.331 23.086 371 HA LEU 55 HA LEU 55 33.810 -0.691 20.736 372 HB2 LEU 55 HB2 LEU 55 33.141 -0.339 23.665 373 HB3 LEU 55 HB1 LEU 55 31.997 -0.022 22.361 374 HG LEU 55 HG LEU 55 33.437 -2.666 22.688 375 HD11 LEU 55 HD11 LEU 55 31.279 -3.491 23.612 376 HD12 LEU 55 HD12 LEU 55 30.670 -1.836 23.619 377 HD13 LEU 55 HD13 LEU 55 32.027 -2.281 24.654 378 HD21 LEU 55 HD21 LEU 55 32.635 -2.370 20.448 379 HD22 LEU 55 HD22 LEU 55 31.119 -1.665 21.009 380 HD23 LEU 55 HD23 LEU 55 31.439 -3.382 21.253 381 H ARG 56 HN ARG 56 35.237 1.300 23.282 382 HA ARG 56 HA ARG 56 34.123 3.771 22.568 383 HB2 ARG 56 HB2 ARG 56 35.383 3.412 24.649 384 HB3 ARG 56 HB1 ARG 56 36.867 3.203 23.717 385 HG2 ARG 56 HG2 ARG 56 36.736 5.477 22.885 386 HG3 ARG 56 HG1 ARG 56 35.155 5.701 23.636 387 HD2 ARG 56 HD2 ARG 56 37.674 5.056 25.181 388 HD3 ARG 56 HD1 ARG 56 37.061 6.690 24.946 389 HE ARG 56 HE ARG 56 34.965 5.160 25.991 390 HH11 ARG 56 HH11 ARG 56 38.148 6.252 26.886 391 HH12 ARG 56 HH12 ARG 56 37.791 6.297 28.574 392 HH21 ARG 56 HH21 ARG 56 34.515 5.226 28.216 393 HH22 ARG 56 HH22 ARG 56 35.748 5.720 29.330 394 H ARG 57 HN ARG 57 37.178 2.225 21.450 395 HA ARG 57 HA ARG 57 37.934 4.315 19.735 396 HB2 ARG 57 HB2 ARG 57 39.520 2.633 20.503 397 HB3 ARG 57 HB1 ARG 57 38.607 1.366 19.684 398 HG2 ARG 57 HG2 ARG 57 39.053 2.365 17.528 399 HG3 ARG 57 HG1 ARG 57 39.827 3.753 18.288 400 HD2 ARG 57 HD2 ARG 57 40.786 0.934 18.685 401 HD3 ARG 57 HD1 ARG 57 41.402 1.962 17.390 402 HE ARG 57 HE ARG 57 41.619 3.365 19.819 403 HH11 ARG 57 HH11 ARG 57 42.909 0.555 18.217 404 HH12 ARG 57 HH12 ARG 57 44.429 0.639 19.028 405 HH21 ARG 57 HH21 ARG 57 43.626 3.459 20.873 406 HH22 ARG 57 HH22 ARG 57 44.840 2.273 20.526 407 H LEU 58 HN LEU 58 35.976 1.408 19.297 408 HA LEU 58 HA LEU 58 35.740 1.468 16.505 409 HB2 LEU 58 HB2 LEU 58 34.866 -0.232 18.385 410 HB3 LEU 58 HB1 LEU 58 33.368 0.659 18.109 411 HG LEU 58 HG LEU 58 33.803 0.278 15.601 412 HD11 LEU 58 HD11 LEU 58 36.197 -0.453 16.002 413 HD12 LEU 58 HD12 LEU 58 35.254 -1.566 15.017 414 HD13 LEU 58 HD13 LEU 58 35.556 -1.928 16.715 415 HD21 LEU 58 HD21 LEU 58 33.148 -1.965 17.526 416 HD22 LEU 58 HD22 LEU 58 32.946 -2.114 15.781 417 HD23 LEU 58 HD23 LEU 58 32.019 -0.909 16.678 418 H ASP 59 HN ASP 59 34.198 3.361 18.984 419 HA ASP 59 HA ASP 59 31.996 4.348 17.526 420 HB2 ASP 59 HB2 ASP 59 32.382 4.609 20.004 421 HB3 ASP 59 HB1 ASP 59 33.571 5.854 19.623 422 H MET 60 HN MET 60 35.381 5.292 17.625 423 HA MET 60 HA MET 60 35.077 7.763 16.245 424 HB2 MET 60 HB2 MET 60 37.454 5.947 16.638 425 HB3 MET 60 HB1 MET 60 37.552 7.519 15.848 426 HG2 MET 60 HG2 MET 60 36.508 8.530 17.919 427 HG3 MET 60 HG1 MET 60 36.683 6.957 18.696 428 HE1 MET 60 HE1 MET 60 39.213 6.162 19.820 429 HE2 MET 60 HE2 MET 60 40.369 6.187 18.492 430 HE3 MET 60 HE3 MET 60 38.733 5.603 18.215 431 H TYR 61 HN TYR 61 34.869 4.534 15.197 432 HA TYR 61 HA TYR 61 35.850 4.935 12.536 433 HB2 TYR 61 HB2 TYR 61 34.213 2.735 13.820 434 HB3 TYR 61 HB1 TYR 61 34.729 2.684 12.137 435 HD1 TYR 61 HD1 TYR 61 37.266 4.467 13.722 436 HD2 TYR 61 HD2 TYR 61 35.664 0.477 13.561 437 HE1 TYR 61 HE1 TYR 61 39.415 3.596 14.458 438 HE2 TYR 61 HE2 TYR 61 37.852 -0.401 14.315 439 HH TYR 61 HH TYR 61 40.017 1.073 15.802 440 H CYS 62 HN CYS 62 33.027 5.818 14.150 441 HA CYS 62 HA CYS 62 31.146 5.533 12.041 442 HB2 CYS 62 HB2 CYS 62 31.161 7.459 14.379 443 HB3 CYS 62 HB1 CYS 62 29.768 7.066 13.371 444 H ALA 63 HN ALA 63 30.296 7.171 10.668 445 HA ALA 63 HA ALA 63 32.250 8.865 9.541 446 HB1 ALA 63 HB1 ALA 63 29.388 8.239 9.009 447 HB2 ALA 63 HB2 ALA 63 30.772 8.188 7.916 448 HB3 ALA 63 HB3 ALA 63 30.034 9.735 8.331 449 HA PRO 64 HA PRO 64 31.529 12.578 11.793 450 HB2 PRO 64 HB2 PRO 64 32.054 14.475 9.912 451 HB3 PRO 64 HB1 PRO 64 33.317 13.465 10.641 452 HG2 PRO 64 HG2 PRO 64 32.000 13.233 7.985 453 HG3 PRO 64 HG1 PRO 64 33.685 12.934 8.445 454 HD2 PRO 64 HD2 PRO 64 31.808 10.933 8.070 455 HD3 PRO 64 HD1 PRO 64 33.251 10.750 9.085 456 H LEU 65 HN LEU 65 30.100 14.380 12.080 457 HA LEU 65 HA LEU 65 27.474 13.956 11.000 458 HB2 LEU 65 HB2 LEU 65 28.550 16.228 12.695 459 HB3 LEU 65 HB1 LEU 65 26.847 15.884 12.389 460 HG LEU 65 HG LEU 65 28.763 13.926 13.684 461 HD11 LEU 65 HD11 LEU 65 26.663 15.729 14.927 462 HD12 LEU 65 HD12 LEU 65 28.409 15.894 15.123 463 HD13 LEU 65 HD13 LEU 65 27.575 14.484 15.780 464 HD21 LEU 65 HD21 LEU 65 26.546 12.875 14.356 465 HD22 LEU 65 HD22 LEU 65 26.928 12.779 12.636 466 HD23 LEU 65 HD23 LEU 65 25.771 13.977 13.218 467 H LYS 66 HN LYS 66 26.287 15.290 9.637 468 HA LYS 66 HA LYS 66 27.773 16.585 7.595 469 HB2 LYS 66 HB2 LYS 66 24.814 16.426 8.165 470 HB3 LYS 66 HB1 LYS 66 25.473 17.245 6.751 471 HG2 LYS 66 HG2 LYS 66 26.598 15.163 6.060 472 HG3 LYS 66 HG1 LYS 66 25.945 14.339 7.477 473 HD2 LYS 66 HD2 LYS 66 23.652 14.796 6.685 474 HD3 LYS 66 HD1 LYS 66 24.307 15.608 5.262 475 HE2 LYS 66 HE2 LYS 66 25.425 13.521 4.576 476 HE3 LYS 66 HE1 LYS 66 24.780 12.705 6.001 477 HZ1 LYS 66 HZ1 LYS 66 23.054 14.034 3.993 478 HZ2 LYS 66 HZ2 LYS 66 22.588 12.953 5.218 479 HZ3 LYS 66 HZ3 LYS 66 23.489 12.398 3.889 480 HA PRO 67 HA PRO 67 27.950 20.704 9.163 481 HB2 PRO 67 HB2 PRO 67 27.782 22.165 6.854 482 HB3 PRO 67 HB1 PRO 67 29.226 21.248 7.324 483 HG2 PRO 67 HG2 PRO 67 27.076 20.533 5.390 484 HG3 PRO 67 HG1 PRO 67 28.827 20.282 5.278 485 HD2 PRO 67 HD2 PRO 67 27.092 18.296 5.968 486 HD3 PRO 67 HD1 PRO 67 28.770 18.354 6.547 487 H ALA 68 HN ALA 68 26.657 22.447 9.771 488 HA ALA 68 HA ALA 68 23.853 22.079 9.700 489 HB1 ALA 68 HB1 ALA 68 23.709 24.054 10.975 490 HB2 ALA 68 HB2 ALA 68 25.186 24.717 10.276 491 HB3 ALA 68 HB3 ALA 68 25.278 23.374 11.415 492 H LYS 69 HN LYS 69 22.260 23.007 8.481 493 HA LYS 69 HA LYS 69 22.994 23.984 5.876 494 HB2 LYS 69 HB2 LYS 69 20.269 23.865 7.197 495 HB3 LYS 69 HB1 LYS 69 20.588 24.075 5.475 496 HG2 LYS 69 HG2 LYS 69 21.432 21.662 7.103 497 HG3 LYS 69 HG1 LYS 69 20.022 21.717 6.046 498 HD2 LYS 69 HD2 LYS 69 21.571 22.330 4.150 499 HD3 LYS 69 HD1 LYS 69 22.926 22.022 5.236 500 HE2 LYS 69 HE2 LYS 69 20.780 20.008 4.518 501 HE3 LYS 69 HE1 LYS 69 22.412 20.040 3.850 502 HZ1 LYS 69 HZ1 LYS 69 23.077 20.024 6.348 503 HZ2 LYS 69 HZ2 LYS 69 22.655 18.574 5.570 504 HZ3 LYS 69 HZ3 LYS 69 21.529 19.365 6.568 505 H SER 70 HN SER 70 22.728 26.027 5.027 506 HA SER 70 HA SER 70 23.161 28.223 6.740 507 HB2 SER 70 HB2 SER 70 22.240 28.115 3.862 508 HB3 SER 70 HB1 SER 70 22.703 29.596 4.693 509 HG SER 70 HG SER 70 24.753 28.916 4.787 510 H ALA 71 HN ALA 71 20.234 27.007 5.155 511 HA ALA 71 HA ALA 71 18.014 27.567 5.398 512 HB1 ALA 71 HB1 ALA 71 17.390 28.140 7.813 513 HB2 ALA 71 HB2 ALA 71 19.104 27.954 8.184 514 HB3 ALA 71 HB3 ALA 71 18.185 26.589 7.550 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 30.092 -14.499 24.644 2 H2 GLY 1 HT2 GLY 1 31.724 -14.670 25.084 3 H3 GLY 1 HT3 GLY 1 31.051 -15.683 23.898 4 HA2 GLY 1 HA2 GLY 1 30.713 -13.778 22.437 5 HA3 GLY 1 HA1 GLY 1 31.456 -12.751 23.664 6 H GLY 2 HN GLY 2 32.458 -13.069 21.022 7 HA2 GLY 2 HA2 GLY 2 35.196 -13.611 21.573 8 HA3 GLY 2 HA1 GLY 2 34.484 -14.938 20.661 9 HA PRO 3 HA PRO 3 35.832 -11.462 17.811 10 HB2 PRO 3 HB2 PRO 3 37.711 -12.873 16.419 11 HB3 PRO 3 HB1 PRO 3 38.087 -11.935 17.877 12 HG2 PRO 3 HG2 PRO 3 37.645 -14.864 17.568 13 HG3 PRO 3 HG1 PRO 3 38.818 -13.995 18.575 14 HD2 PRO 3 HD2 PRO 3 36.506 -15.068 19.578 15 HD3 PRO 3 HD1 PRO 3 37.294 -13.638 20.280 16 H GLU 4 HN GLU 4 34.626 -14.590 17.596 17 HA GLU 4 HA GLU 4 34.251 -14.727 14.764 18 HB2 GLU 4 HB2 GLU 4 32.999 -16.282 17.028 19 HB3 GLU 4 HB1 GLU 4 32.713 -16.629 15.322 20 HG2 GLU 4 HG2 GLU 4 35.112 -17.011 14.976 21 HG3 GLU 4 HG1 GLU 4 35.431 -16.619 16.664 22 H THR 5 HN THR 5 32.810 -12.908 17.138 23 HA THR 5 HA THR 5 30.279 -12.687 15.645 24 HB THR 5 HB THR 5 29.340 -11.706 17.692 25 HG1 THR 5 HG1 THR 5 30.797 -10.842 18.929 26 HG21 THR 5 HG21 THR 5 29.234 -14.141 17.394 27 HG22 THR 5 HG22 THR 5 29.452 -13.742 19.098 28 HG23 THR 5 HG23 THR 5 30.821 -14.312 18.144 29 H LEU 6 HN LEU 6 33.132 -11.325 15.465 30 HA LEU 6 HA LEU 6 32.031 -8.652 14.959 31 HB2 LEU 6 HB2 LEU 6 34.517 -9.304 16.547 32 HB3 LEU 6 HB1 LEU 6 34.204 -7.710 15.860 33 HG LEU 6 HG LEU 6 32.245 -9.133 17.677 34 HD11 LEU 6 HD11 LEU 6 33.082 -7.653 19.466 35 HD12 LEU 6 HD12 LEU 6 34.318 -7.028 18.373 36 HD13 LEU 6 HD13 LEU 6 34.362 -8.715 18.882 37 HD21 LEU 6 HD21 LEU 6 31.512 -6.672 17.955 38 HD22 LEU 6 HD22 LEU 6 31.144 -7.442 16.414 39 HD23 LEU 6 HD23 LEU 6 32.514 -6.339 16.543 40 H CYS 7 HN CYS 7 32.660 -10.890 13.204 41 HA CYS 7 HA CYS 7 34.726 -9.568 11.557 42 HB2 CYS 7 HB2 CYS 7 34.374 -12.537 12.023 43 HB3 CYS 7 HB1 CYS 7 35.432 -11.843 10.795 44 H GLY 8 HN GLY 8 34.409 -9.646 9.323 45 HA2 GLY 8 HA2 GLY 8 33.176 -9.645 7.383 46 HA3 GLY 8 HA1 GLY 8 32.470 -11.147 7.971 47 H ALA 9 HN ALA 9 30.328 -11.003 7.820 48 HA ALA 9 HA ALA 9 28.840 -8.624 7.743 49 HB1 ALA 9 HB1 ALA 9 28.030 -11.467 8.367 50 HB2 ALA 9 HB2 ALA 9 27.875 -10.615 6.831 51 HB3 ALA 9 HB3 ALA 9 26.873 -10.147 8.204 52 H GLU 10 HN GLU 10 29.748 -10.732 10.419 53 HA GLU 10 HA GLU 10 28.018 -9.688 12.379 54 HB2 GLU 10 HB2 GLU 10 30.780 -10.899 12.629 55 HB3 GLU 10 HB1 GLU 10 29.722 -10.559 13.993 56 HG2 GLU 10 HG2 GLU 10 28.908 -12.292 11.651 57 HG3 GLU 10 HG1 GLU 10 29.595 -12.935 13.142 58 H LEU 11 HN LEU 11 31.247 -8.675 11.323 59 HA LEU 11 HA LEU 11 31.645 -6.689 13.291 60 HB2 LEU 11 HB2 LEU 11 33.475 -7.553 11.896 61 HB3 LEU 11 HB1 LEU 11 32.732 -6.840 10.467 62 HG LEU 11 HG LEU 11 32.932 -4.591 11.513 63 HD11 LEU 11 HD11 LEU 11 34.501 -4.476 13.526 64 HD12 LEU 11 HD12 LEU 11 34.248 -6.213 13.703 65 HD13 LEU 11 HD13 LEU 11 32.886 -5.103 13.849 66 HD21 LEU 11 HD21 LEU 11 35.270 -4.336 11.108 67 HD22 LEU 11 HD22 LEU 11 34.741 -5.651 10.058 68 HD23 LEU 11 HD23 LEU 11 35.602 -6.010 11.555 69 H VAL 12 HN VAL 12 30.241 -6.568 10.034 70 HA VAL 12 HA VAL 12 29.849 -3.799 9.897 71 HB VAL 12 HB VAL 12 28.469 -6.131 8.584 72 HG11 VAL 12 HG11 VAL 12 27.898 -3.155 8.345 73 HG12 VAL 12 HG12 VAL 12 26.746 -4.449 8.668 74 HG13 VAL 12 HG13 VAL 12 27.476 -4.301 7.070 75 HG21 VAL 12 HG21 VAL 12 29.623 -5.201 6.597 76 HG22 VAL 12 HG22 VAL 12 30.754 -5.620 7.882 77 HG23 VAL 12 HG23 VAL 12 30.316 -3.933 7.608 78 H ASP 13 HN ASP 13 27.766 -6.405 11.110 79 HA ASP 13 HA ASP 13 25.477 -4.869 11.661 80 HB2 ASP 13 HB2 ASP 13 25.577 -7.363 11.682 81 HB3 ASP 13 HB1 ASP 13 26.475 -7.280 13.197 82 H ALA 14 HN ALA 14 28.289 -5.662 13.692 83 HA ALA 14 HA ALA 14 27.397 -4.353 16.032 84 HB1 ALA 14 HB1 ALA 14 29.542 -4.699 16.873 85 HB2 ALA 14 HB2 ALA 14 30.301 -4.515 15.289 86 HB3 ALA 14 HB3 ALA 14 29.398 -5.981 15.670 87 H LEU 15 HN LEU 15 29.258 -3.229 13.235 88 HA LEU 15 HA LEU 15 29.926 -0.673 14.227 89 HB2 LEU 15 HB2 LEU 15 29.530 -1.722 11.421 90 HB3 LEU 15 HB1 LEU 15 30.084 -0.084 11.764 91 HG LEU 15 HG LEU 15 31.448 -2.523 12.909 92 HD11 LEU 15 HD11 LEU 15 32.327 -0.951 10.474 93 HD12 LEU 15 HD12 LEU 15 31.425 -2.462 10.361 94 HD13 LEU 15 HD13 LEU 15 33.023 -2.444 11.103 95 HD21 LEU 15 HD21 LEU 15 33.345 -0.800 13.003 96 HD22 LEU 15 HD22 LEU 15 31.999 -0.519 14.103 97 HD23 LEU 15 HD23 LEU 15 32.129 0.417 12.618 98 H GLN 16 HN GLN 16 27.125 -1.821 12.369 99 HA GLN 16 HA GLN 16 25.875 0.718 12.104 100 HB2 GLN 16 HB2 GLN 16 24.784 -2.101 12.003 101 HB3 GLN 16 HB1 GLN 16 23.813 -0.667 11.664 102 HG2 GLN 16 HG2 GLN 16 25.244 -0.047 9.819 103 HG3 GLN 16 HG1 GLN 16 26.395 -1.319 10.227 104 HE21 GLN 16 HE21 GLN 16 24.802 -0.957 7.690 105 HE22 GLN 16 HE22 GLN 16 23.930 -2.403 7.509 106 H PHE 17 HN PHE 17 25.646 -1.866 14.512 107 HA PHE 17 HA PHE 17 23.482 -0.863 15.988 108 HB2 PHE 17 HB2 PHE 17 24.224 -3.084 16.437 109 HB3 PHE 17 HB1 PHE 17 25.865 -2.544 16.792 110 HD1 PHE 17 HD1 PHE 17 22.358 -2.562 18.009 111 HD2 PHE 17 HD2 PHE 17 26.455 -1.611 18.927 112 HE1 PHE 17 HE1 PHE 17 21.751 -2.255 20.394 113 HE2 PHE 17 HE2 PHE 17 25.839 -1.311 21.315 114 HZ PHE 17 HZ PHE 17 23.491 -1.632 22.048 115 H VAL 18 HN VAL 18 26.980 -0.362 16.438 116 HA VAL 18 HA VAL 18 26.766 1.314 18.689 117 HB VAL 18 HB VAL 18 28.916 1.170 16.563 118 HG11 VAL 18 HG11 VAL 18 28.881 2.458 19.302 119 HG12 VAL 18 HG12 VAL 18 29.084 3.283 17.757 120 HG13 VAL 18 HG13 VAL 18 30.342 2.200 18.350 121 HG21 VAL 18 HG21 VAL 18 28.364 -0.911 17.933 122 HG22 VAL 18 HG22 VAL 18 28.885 -0.005 19.353 123 HG23 VAL 18 HG23 VAL 18 30.029 -0.341 18.052 124 H CYS 19 HN CYS 19 27.041 2.090 15.229 125 HA CYS 19 HA CYS 19 26.068 4.813 15.862 126 HB2 CYS 19 HB2 CYS 19 28.052 4.009 13.719 127 HB3 CYS 19 HB1 CYS 19 27.428 5.632 13.979 128 H GLY 20 HN GLY 20 24.012 3.442 15.493 129 HA2 GLY 20 HA2 GLY 20 23.309 2.588 12.890 130 HA3 GLY 20 HA1 GLY 20 22.179 2.987 14.179 131 H ASP 21 HN ASP 21 22.768 5.657 14.604 132 HA ASP 21 HA ASP 21 21.470 6.844 12.301 133 HB2 ASP 21 HB2 ASP 21 20.834 7.387 14.663 134 HB3 ASP 21 HB1 ASP 21 22.396 8.182 14.850 135 H ARG 22 HN ARG 22 24.459 7.482 14.139 136 HA ARG 22 HA ARG 22 25.467 9.447 12.387 137 HB2 ARG 22 HB2 ARG 22 26.847 7.590 14.330 138 HB3 ARG 22 HB1 ARG 22 27.683 8.874 13.457 139 HG2 ARG 22 HG2 ARG 22 26.283 10.561 14.467 140 HG3 ARG 22 HG1 ARG 22 25.242 9.336 15.191 141 HD2 ARG 22 HD2 ARG 22 28.191 9.626 15.807 142 HD3 ARG 22 HD1 ARG 22 26.909 10.327 16.789 143 HE ARG 22 HE ARG 22 26.320 7.613 16.513 144 HH11 ARG 22 HH11 ARG 22 28.829 9.636 17.816 145 HH12 ARG 22 HH12 ARG 22 29.270 8.513 19.049 146 HH21 ARG 22 HH21 ARG 22 26.909 6.144 18.140 147 HH22 ARG 22 HH22 ARG 22 28.190 6.540 19.238 148 H GLY 23 HN GLY 23 25.908 5.935 12.498 149 HA2 GLY 23 HA2 GLY 23 26.449 4.476 10.780 150 HA3 GLY 23 HA1 GLY 23 26.521 5.852 9.682 151 H PHE 24 HN PHE 24 28.431 4.347 9.038 152 HA PHE 24 HA PHE 24 30.846 5.595 10.077 153 HB2 PHE 24 HB2 PHE 24 31.967 3.458 10.524 154 HB3 PHE 24 HB1 PHE 24 30.547 3.639 11.554 155 HD1 PHE 24 HD1 PHE 24 32.112 1.736 8.870 156 HD2 PHE 24 HD2 PHE 24 28.431 2.434 10.970 157 HE1 PHE 24 HE1 PHE 24 31.188 -0.370 7.953 158 HE2 PHE 24 HE2 PHE 24 27.508 0.326 10.053 159 HZ PHE 24 HZ PHE 24 28.887 -1.077 8.545 160 H TYR 25 HN TYR 25 32.729 5.144 8.738 161 HA TYR 25 HA TYR 25 32.235 3.864 6.158 162 HB2 TYR 25 HB2 TYR 25 32.815 5.818 4.848 163 HB3 TYR 25 HB1 TYR 25 31.464 6.234 5.903 164 HD1 TYR 25 HD1 TYR 25 35.057 6.700 5.257 165 HD2 TYR 25 HD2 TYR 25 31.773 7.702 7.838 166 HE1 TYR 25 HE1 TYR 25 36.401 8.524 6.257 167 HE2 TYR 25 HE2 TYR 25 33.117 9.530 8.838 168 HH TYR 25 HH TYR 25 36.452 9.807 8.406 169 H PHE 26 HN PHE 26 34.218 3.685 4.867 170 HA PHE 26 HA PHE 26 36.641 3.771 6.569 171 HB2 PHE 26 HB2 PHE 26 35.929 1.798 4.379 172 HB3 PHE 26 HB1 PHE 26 37.447 1.823 5.278 173 HD1 PHE 26 HD1 PHE 26 33.906 0.944 5.360 174 HD2 PHE 26 HD2 PHE 26 37.467 1.354 7.725 175 HE1 PHE 26 HE1 PHE 26 32.858 -0.389 7.170 176 HE2 PHE 26 HE2 PHE 26 36.420 0.022 9.535 177 HZ PHE 26 HZ PHE 26 34.115 -0.850 9.258 178 H ASN 27 HN ASN 27 38.105 5.188 5.890 179 HA ASN 27 HA ASN 27 38.138 5.935 3.035 180 HB2 ASN 27 HB2 ASN 27 39.058 8.063 3.713 181 HB3 ASN 27 HB1 ASN 27 37.591 7.761 4.641 182 HD21 ASN 27 HD21 ASN 27 39.417 9.562 5.726 183 HD22 ASN 27 HD22 ASN 27 40.210 8.856 7.051 184 H LYS 28 HN LYS 28 39.516 3.656 4.436 185 HA LYS 28 HA LYS 28 41.574 2.633 4.455 186 HB2 LYS 28 HB2 LYS 28 42.140 4.624 2.244 187 HB3 LYS 28 HB1 LYS 28 43.037 3.138 2.563 188 HG2 LYS 28 HG2 LYS 28 40.075 3.212 1.938 189 HG3 LYS 28 HG1 LYS 28 41.324 2.911 0.730 190 HD2 LYS 28 HD2 LYS 28 42.113 0.972 2.085 191 HD3 LYS 28 HD1 LYS 28 40.779 1.240 3.204 192 HE2 LYS 28 HE2 LYS 28 39.174 0.947 1.334 193 HE3 LYS 28 HE1 LYS 28 40.524 0.602 0.255 194 HZ1 LYS 28 HZ1 LYS 28 39.321 -1.356 1.327 195 HZ2 LYS 28 HZ2 LYS 28 40.139 -0.925 2.752 196 HZ3 LYS 28 HZ3 LYS 28 41.016 -1.359 1.364 197 HA PRO 29 HA PRO 29 43.405 6.252 6.791 198 HB2 PRO 29 HB2 PRO 29 43.131 5.186 9.290 199 HB3 PRO 29 HB1 PRO 29 41.879 6.175 8.513 200 HG2 PRO 29 HG2 PRO 29 42.051 3.220 8.810 201 HG3 PRO 29 HG1 PRO 29 40.641 4.288 8.906 202 HD2 PRO 29 HD2 PRO 29 41.249 2.781 6.689 203 HD3 PRO 29 HD1 PRO 29 40.323 4.295 6.622 204 H THR 30 HN THR 30 43.859 2.825 6.656 205 HA THR 30 HA THR 30 46.207 2.527 8.176 206 HB THR 30 HB THR 30 45.326 1.015 5.704 207 HG1 THR 30 HG1 THR 30 43.809 0.782 7.267 208 HG21 THR 30 HG21 THR 30 46.751 -0.796 6.803 209 HG22 THR 30 HG22 THR 30 47.423 0.482 7.816 210 HG23 THR 30 HG23 THR 30 47.636 0.541 6.066 211 H GLY 31 HN GLY 31 48.287 3.044 7.815 212 HA2 GLY 31 HA2 GLY 31 49.170 3.695 5.092 213 HA3 GLY 31 HA1 GLY 31 49.337 4.931 6.335 214 H TYR 32 HN TYR 32 50.619 2.024 5.019 215 HA TYR 32 HA TYR 32 52.230 1.117 7.116 216 HB2 TYR 32 HB2 TYR 32 52.585 0.995 4.120 217 HB3 TYR 32 HB1 TYR 32 53.690 0.202 5.243 218 HD1 TYR 32 HD1 TYR 32 50.264 0.243 3.888 219 HD2 TYR 32 HD2 TYR 32 52.974 -1.700 6.595 220 HE1 TYR 32 HE1 TYR 32 48.690 -1.662 4.096 221 HE2 TYR 32 HE2 TYR 32 51.401 -3.605 6.802 222 HH TYR 32 HH TYR 32 48.724 -4.014 4.705 223 H GLY 33 HN GLY 33 52.643 3.762 4.867 224 HA2 GLY 33 HA2 GLY 33 55.391 4.254 5.197 225 HA3 GLY 33 HA1 GLY 33 54.187 5.460 4.750 226 H SER 34 HN SER 34 52.580 5.245 7.111 227 HA SER 34 HA SER 34 54.391 6.573 9.027 228 HB2 SER 34 HB2 SER 34 52.390 7.730 9.848 229 HB3 SER 34 HB1 SER 34 52.598 7.992 8.119 230 HG SER 34 HG SER 34 50.629 7.257 8.020 231 H SER 35 HN SER 35 53.265 3.613 8.588 232 HA SER 35 HA SER 35 53.088 3.086 11.452 233 HB2 SER 35 HB2 SER 35 50.762 3.261 10.833 234 HB3 SER 35 HB1 SER 35 51.016 2.238 9.421 235 HG SER 35 HG SER 35 51.406 0.513 10.777 236 H SER 36 HN SER 36 54.373 1.441 11.949 237 HA SER 36 HA SER 36 55.738 -0.063 9.934 238 HB2 SER 36 HB2 SER 36 55.629 -0.410 12.939 239 HB3 SER 36 HB1 SER 36 56.715 -1.290 11.868 240 HG SER 36 HG SER 36 57.554 0.741 11.209 241 H ARG 37 HN ARG 37 55.413 -2.119 9.227 242 HA ARG 37 HA ARG 37 52.839 -3.256 9.368 243 HB2 ARG 37 HB2 ARG 37 53.778 -5.133 8.175 244 HB3 ARG 37 HB1 ARG 37 54.514 -3.657 7.548 245 HG2 ARG 37 HG2 ARG 37 56.454 -4.016 9.076 246 HG3 ARG 37 HG1 ARG 37 55.735 -5.544 9.585 247 HD2 ARG 37 HD2 ARG 37 55.813 -6.377 7.288 248 HD3 ARG 37 HD1 ARG 37 56.480 -4.843 6.737 249 HE ARG 37 HE ARG 37 58.132 -5.884 8.781 250 HH11 ARG 37 HH11 ARG 37 57.149 -6.479 5.501 251 HH12 ARG 37 HH12 ARG 37 58.631 -7.245 5.061 252 HH21 ARG 37 HH21 ARG 37 60.079 -6.891 8.190 253 HH22 ARG 37 HH22 ARG 37 60.289 -7.479 6.574 254 H ARG 38 HN ARG 38 55.517 -3.428 11.516 255 HA ARG 38 HA ARG 38 55.118 -5.939 12.709 256 HB2 ARG 38 HB2 ARG 38 57.101 -4.541 13.133 257 HB3 ARG 38 HB1 ARG 38 56.095 -3.367 13.981 258 HG2 ARG 38 HG2 ARG 38 55.476 -5.057 15.645 259 HG3 ARG 38 HG1 ARG 38 56.415 -6.275 14.780 260 HD2 ARG 38 HD2 ARG 38 58.469 -4.955 15.150 261 HD3 ARG 38 HD1 ARG 38 57.535 -3.740 16.013 262 HE ARG 38 HE ARG 38 57.474 -5.161 17.858 263 HH11 ARG 38 HH11 ARG 38 58.512 -6.857 15.000 264 HH12 ARG 38 HH12 ARG 38 58.964 -8.280 15.856 265 HH21 ARG 38 HH21 ARG 38 58.073 -7.052 18.970 266 HH22 ARG 38 HH22 ARG 38 58.718 -8.399 18.095 267 H ALA 39 HN ALA 39 53.690 -2.764 13.405 268 HA ALA 39 HA ALA 39 52.150 -3.709 15.621 269 HB1 ALA 39 HB1 ALA 39 52.381 -1.168 14.094 270 HB2 ALA 39 HB2 ALA 39 52.434 -1.448 15.835 271 HB3 ALA 39 HB3 ALA 39 50.885 -1.431 14.994 272 HA PRO 40 HA PRO 40 48.642 -5.251 13.440 273 HB2 PRO 40 HB2 PRO 40 46.643 -4.786 15.233 274 HB3 PRO 40 HB1 PRO 40 47.900 -6.007 15.489 275 HG2 PRO 40 HG2 PRO 40 47.614 -3.306 16.678 276 HG3 PRO 40 HG1 PRO 40 48.257 -4.794 17.386 277 HD2 PRO 40 HD2 PRO 40 49.811 -2.703 16.396 278 HD3 PRO 40 HD1 PRO 40 50.382 -4.367 16.646 279 H GLN 41 HN GLN 41 49.185 -3.013 12.152 280 HA GLN 41 HA GLN 41 46.722 -1.381 12.170 281 HB2 GLN 41 HB2 GLN 41 49.461 -0.707 11.069 282 HB3 GLN 41 HB1 GLN 41 48.051 0.353 11.048 283 HG2 GLN 41 HG2 GLN 41 49.385 -0.756 13.534 284 HG3 GLN 41 HG1 GLN 41 49.530 0.898 12.944 285 HE21 GLN 41 HE21 GLN 41 47.896 -0.885 15.211 286 HE22 GLN 41 HE22 GLN 41 46.481 0.043 15.335 287 H THR 42 HN THR 42 47.168 -4.027 10.867 288 HA THR 42 HA THR 42 47.544 -3.773 8.102 289 HB THR 42 HB THR 42 45.825 -5.742 9.620 290 HG1 THR 42 HG1 THR 42 47.629 -6.773 9.958 291 HG21 THR 42 HG21 THR 42 46.842 -5.679 6.775 292 HG22 THR 42 HG22 THR 42 45.173 -5.825 7.323 293 HG23 THR 42 HG23 THR 42 46.298 -7.161 7.559 294 H GLY 43 HN GLY 43 44.574 -3.638 10.031 295 HA2 GLY 43 HA2 GLY 43 43.324 -1.749 8.323 296 HA3 GLY 43 HA1 GLY 43 42.714 -3.362 7.973 297 H ILE 44 HN ILE 44 41.130 -1.232 9.015 298 HA ILE 44 HA ILE 44 40.781 -1.335 11.802 299 HB ILE 44 HB ILE 44 38.867 -0.659 9.560 300 HG12 ILE 44 HG12 ILE 44 40.250 1.130 11.575 301 HG13 ILE 44 HG11 ILE 44 40.928 0.777 9.988 302 HG21 ILE 44 HG21 ILE 44 37.501 -1.299 11.412 303 HG22 ILE 44 HG22 ILE 44 37.583 0.461 11.456 304 HG23 ILE 44 HG23 ILE 44 38.569 -0.498 12.559 305 HD11 ILE 44 HD11 ILE 44 38.125 1.862 10.335 306 HD12 ILE 44 HD12 ILE 44 39.094 1.803 8.862 307 HD13 ILE 44 HD13 ILE 44 39.531 2.914 10.159 308 H VAL 45 HN VAL 45 39.195 -3.120 9.162 309 HA VAL 45 HA VAL 45 37.405 -4.590 10.759 310 HB VAL 45 HB VAL 45 38.665 -5.178 8.075 311 HG11 VAL 45 HG11 VAL 45 36.612 -6.722 9.675 312 HG12 VAL 45 HG12 VAL 45 38.101 -7.331 8.949 313 HG13 VAL 45 HG13 VAL 45 36.741 -6.864 7.922 314 HG21 VAL 45 HG21 VAL 45 37.150 -3.300 8.023 315 HG22 VAL 45 HG22 VAL 45 35.967 -4.156 9.010 316 HG23 VAL 45 HG23 VAL 45 36.279 -4.682 7.357 317 H ASP 46 HN ASP 46 40.670 -5.377 9.603 318 HA ASP 46 HA ASP 46 40.796 -7.953 10.750 319 HB2 ASP 46 HB2 ASP 46 42.949 -5.990 9.946 320 HB3 ASP 46 HB1 ASP 46 43.296 -7.616 10.530 321 H GLU 47 HN GLU 47 41.594 -4.739 11.989 322 HA GLU 47 HA GLU 47 42.995 -5.521 14.287 323 HB2 GLU 47 HB2 GLU 47 42.897 -3.194 13.491 324 HB3 GLU 47 HB1 GLU 47 41.178 -3.125 13.881 325 HG2 GLU 47 HG2 GLU 47 41.642 -3.451 16.237 326 HG3 GLU 47 HG1 GLU 47 43.356 -3.702 15.904 327 H CYS 48 HN CYS 48 39.533 -4.708 13.968 328 HA CYS 48 HA CYS 48 38.893 -5.550 16.636 329 HB2 CYS 48 HB2 CYS 48 37.160 -4.975 14.233 330 HB3 CYS 48 HB1 CYS 48 36.549 -5.360 15.827 331 H CYS 49 HN CYS 49 38.648 -7.034 13.439 332 HA CYS 49 HA CYS 49 37.176 -9.290 14.156 333 HB2 CYS 49 HB2 CYS 49 37.577 -8.645 11.817 334 HB3 CYS 49 HB1 CYS 49 39.286 -9.035 12.004 335 H PHE 50 HN PHE 50 40.689 -8.802 14.038 336 HA PHE 50 HA PHE 50 41.155 -11.441 15.142 337 HB2 PHE 50 HB2 PHE 50 42.954 -9.227 14.182 338 HB3 PHE 50 HB1 PHE 50 43.601 -10.635 15.038 339 HD1 PHE 50 HD1 PHE 50 41.665 -9.516 12.057 340 HD2 PHE 50 HD2 PHE 50 43.768 -12.755 13.938 341 HE1 PHE 50 HE1 PHE 50 41.555 -10.797 9.942 342 HE2 PHE 50 HE2 PHE 50 43.664 -14.046 11.824 343 HZ PHE 50 HZ PHE 50 42.562 -13.073 9.827 344 H ARG 51 HN ARG 51 42.389 -8.208 16.023 345 HA ARG 51 HA ARG 51 42.710 -8.996 18.787 346 HB2 ARG 51 HB2 ARG 51 44.322 -7.488 17.692 347 HB3 ARG 51 HB1 ARG 51 43.050 -6.283 17.492 348 HG2 ARG 51 HG2 ARG 51 42.764 -6.118 19.906 349 HG3 ARG 51 HG1 ARG 51 43.927 -7.420 20.163 350 HD2 ARG 51 HD2 ARG 51 45.700 -6.051 19.140 351 HD3 ARG 51 HD1 ARG 51 44.544 -4.755 18.852 352 HE ARG 51 HE ARG 51 44.707 -4.180 21.101 353 HH11 ARG 51 HH11 ARG 51 46.025 -7.348 20.526 354 HH12 ARG 51 HH12 ARG 51 46.680 -7.501 22.112 355 HH21 ARG 51 HH21 ARG 51 45.574 -4.399 23.189 356 HH22 ARG 51 HH22 ARG 51 46.429 -5.843 23.621 357 H SER 52 HN SER 52 41.602 -8.089 20.566 358 HA SER 52 HA SER 52 38.826 -7.443 20.034 359 HB2 SER 52 HB2 SER 52 39.306 -8.904 21.899 360 HB3 SER 52 HB1 SER 52 40.410 -7.724 22.600 361 HG SER 52 HG SER 52 38.760 -6.624 23.335 362 H CYS 53 HN CYS 53 38.941 -5.413 19.005 363 HA CYS 53 HA CYS 53 40.276 -3.176 20.221 364 HB2 CYS 53 HB2 CYS 53 39.276 -1.869 18.447 365 HB3 CYS 53 HB1 CYS 53 39.857 -3.384 17.764 366 H ASP 54 HN ASP 54 39.405 -1.501 21.393 367 HA ASP 54 HA ASP 54 37.166 -2.083 23.039 368 HB2 ASP 54 HB2 ASP 54 38.794 0.420 22.599 369 HB3 ASP 54 HB1 ASP 54 37.457 0.346 23.746 370 H LEU 55 HN LEU 55 35.140 -1.050 23.147 371 HA LEU 55 HA LEU 55 33.856 -0.617 20.665 372 HB2 LEU 55 HB2 LEU 55 33.034 0.027 23.507 373 HB3 LEU 55 HB1 LEU 55 31.970 0.256 22.118 374 HG LEU 55 HG LEU 55 33.307 -2.382 22.769 375 HD11 LEU 55 HD11 LEU 55 31.764 -1.729 24.585 376 HD12 LEU 55 HD12 LEU 55 31.109 -3.075 23.652 377 HD13 LEU 55 HD13 LEU 55 30.490 -1.443 23.399 378 HD21 LEU 55 HD21 LEU 55 31.146 -1.477 20.847 379 HD22 LEU 55 HD22 LEU 55 31.377 -3.173 21.273 380 HD23 LEU 55 HD23 LEU 55 32.666 -2.287 20.467 381 H ARG 56 HN ARG 56 35.213 1.588 23.064 382 HA ARG 56 HA ARG 56 34.205 3.986 22.019 383 HB2 ARG 56 HB2 ARG 56 35.288 3.874 24.213 384 HB3 ARG 56 HB1 ARG 56 36.825 3.468 23.450 385 HG2 ARG 56 HG2 ARG 56 36.781 5.856 23.988 386 HG3 ARG 56 HG1 ARG 56 36.767 5.646 22.242 387 HD2 ARG 56 HD2 ARG 56 34.376 6.014 22.151 388 HD3 ARG 56 HD1 ARG 56 34.274 6.038 23.908 389 HE ARG 56 HE ARG 56 36.053 8.039 23.257 390 HH11 ARG 56 HH11 ARG 56 32.782 7.189 22.442 391 HH12 ARG 56 HH12 ARG 56 32.281 8.823 22.212 392 HH21 ARG 56 HH21 ARG 56 35.380 10.185 22.954 393 HH22 ARG 56 HH22 ARG 56 33.742 10.519 22.500 394 H ARG 57 HN ARG 57 37.244 2.228 21.293 395 HA ARG 57 HA ARG 57 38.262 4.084 19.452 396 HB2 ARG 57 HB2 ARG 57 39.657 2.349 20.453 397 HB3 ARG 57 HB1 ARG 57 38.688 1.094 19.677 398 HG2 ARG 57 HG2 ARG 57 39.319 1.972 17.465 399 HG3 ARG 57 HG1 ARG 57 40.280 3.228 18.240 400 HD2 ARG 57 HD2 ARG 57 40.725 0.292 18.742 401 HD3 ARG 57 HD1 ARG 57 41.564 1.162 17.460 402 HE ARG 57 HE ARG 57 42.064 1.371 20.306 403 HH11 ARG 57 HH11 ARG 57 42.323 2.876 17.178 404 HH12 ARG 57 HH12 ARG 57 43.643 3.883 17.633 405 HH21 ARG 57 HH21 ARG 57 43.804 2.712 20.890 406 HH22 ARG 57 HH22 ARG 57 44.483 3.798 19.726 407 H LEU 58 HN LEU 58 36.091 1.317 19.124 408 HA LEU 58 HA LEU 58 36.031 1.157 16.327 409 HB2 LEU 58 HB2 LEU 58 35.053 -0.508 17.951 410 HB3 LEU 58 HB1 LEU 58 33.702 0.604 18.168 411 HG LEU 58 HG LEU 58 33.445 0.554 15.620 412 HD11 LEU 58 HD11 LEU 58 34.356 -1.629 14.635 413 HD12 LEU 58 HD12 LEU 58 35.395 -1.716 16.056 414 HD13 LEU 58 HD13 LEU 58 35.543 -0.366 14.941 415 HD21 LEU 58 HD21 LEU 58 31.828 -0.605 16.934 416 HD22 LEU 58 HD22 LEU 58 32.976 -1.872 17.365 417 HD23 LEU 58 HD23 LEU 58 32.360 -1.765 15.720 418 H ASP 59 HN ASP 59 34.236 3.180 18.587 419 HA ASP 59 HA ASP 59 32.334 4.221 16.800 420 HB2 ASP 59 HB2 ASP 59 32.405 4.458 19.340 421 HB3 ASP 59 HB1 ASP 59 33.552 5.766 19.083 422 H MET 60 HN MET 60 35.715 4.803 17.083 423 HA MET 60 HA MET 60 35.894 7.422 16.097 424 HB2 MET 60 HB2 MET 60 37.803 5.090 15.851 425 HB3 MET 60 HB1 MET 60 38.202 6.733 15.396 426 HG2 MET 60 HG2 MET 60 37.841 7.528 17.657 427 HG3 MET 60 HG1 MET 60 37.235 5.949 18.156 428 HE1 MET 60 HE1 MET 60 40.118 8.125 17.064 429 HE2 MET 60 HE2 MET 60 40.261 6.914 15.792 430 HE3 MET 60 HE3 MET 60 41.533 7.063 17.000 431 H TYR 61 HN TYR 61 35.395 4.352 14.495 432 HA TYR 61 HA TYR 61 35.907 5.366 11.831 433 HB2 TYR 61 HB2 TYR 61 34.391 2.857 12.521 434 HB3 TYR 61 HB1 TYR 61 35.325 3.211 11.083 435 HD1 TYR 61 HD1 TYR 61 35.455 1.289 13.904 436 HD2 TYR 61 HD2 TYR 61 37.848 4.165 11.792 437 HE1 TYR 61 HE1 TYR 61 37.502 0.354 14.953 438 HE2 TYR 61 HE2 TYR 61 39.893 3.231 12.842 439 HH TYR 61 HH TYR 61 39.979 1.487 15.467 440 H CYS 62 HN CYS 62 33.488 6.034 13.940 441 HA CYS 62 HA CYS 62 31.253 5.841 12.118 442 HB2 CYS 62 HB2 CYS 62 31.542 7.097 14.851 443 HB3 CYS 62 HB1 CYS 62 30.041 7.030 13.952 444 H ALA 63 HN ALA 63 30.097 7.670 11.307 445 HA ALA 63 HA ALA 63 31.754 9.751 10.348 446 HB1 ALA 63 HB1 ALA 63 28.885 8.998 10.076 447 HB2 ALA 63 HB2 ALA 63 30.089 9.307 8.826 448 HB3 ALA 63 HB3 ALA 63 29.339 10.655 9.679 449 HA PRO 64 HA PRO 64 31.171 12.773 13.487 450 HB2 PRO 64 HB2 PRO 64 31.246 15.092 12.061 451 HB3 PRO 64 HB1 PRO 64 32.676 14.075 12.321 452 HG2 PRO 64 HG2 PRO 64 30.930 14.314 9.926 453 HG3 PRO 64 HG1 PRO 64 32.687 14.105 10.030 454 HD2 PRO 64 HD2 PRO 64 30.926 12.045 9.480 455 HD3 PRO 64 HD1 PRO 64 32.527 11.795 10.198 456 H LEU 65 HN LEU 65 29.704 14.318 14.408 457 HA LEU 65 HA LEU 65 26.969 13.856 13.756 458 HB2 LEU 65 HB2 LEU 65 28.277 15.895 15.575 459 HB3 LEU 65 HB1 LEU 65 26.539 15.612 15.486 460 HG LEU 65 HG LEU 65 28.563 13.449 16.122 461 HD11 LEU 65 HD11 LEU 65 26.917 15.249 17.910 462 HD12 LEU 65 HD12 LEU 65 28.656 14.962 17.962 463 HD13 LEU 65 HD13 LEU 65 27.538 13.692 18.460 464 HD21 LEU 65 HD21 LEU 65 26.395 12.382 17.024 465 HD22 LEU 65 HD22 LEU 65 26.568 12.469 15.272 466 HD23 LEU 65 HD23 LEU 65 25.540 13.628 16.114 467 H LYS 66 HN LYS 66 25.463 15.175 12.789 468 HA LYS 66 HA LYS 66 24.731 16.632 11.171 469 HB2 LYS 66 HB2 LYS 66 25.048 18.123 13.181 470 HB3 LYS 66 HB1 LYS 66 26.618 18.572 12.516 471 HG2 LYS 66 HG2 LYS 66 25.089 20.251 11.767 472 HG3 LYS 66 HG1 LYS 66 25.377 19.207 10.378 473 HD2 LYS 66 HD2 LYS 66 23.294 18.013 10.775 474 HD3 LYS 66 HD1 LYS 66 23.029 18.911 12.269 475 HE2 LYS 66 HE2 LYS 66 22.910 21.012 10.972 476 HE3 LYS 66 HE1 LYS 66 23.151 20.099 9.482 477 HZ1 LYS 66 HZ1 LYS 66 21.134 18.806 10.095 478 HZ2 LYS 66 HZ2 LYS 66 20.833 20.444 9.758 479 HZ3 LYS 66 HZ3 LYS 66 20.869 19.895 11.365 480 HA PRO 67 HA PRO 67 28.703 16.213 8.739 481 HB2 PRO 67 HB2 PRO 67 27.831 14.302 7.000 482 HB3 PRO 67 HB1 PRO 67 28.579 13.919 8.564 483 HG2 PRO 67 HG2 PRO 67 25.718 13.922 7.781 484 HG3 PRO 67 HG1 PRO 67 26.591 12.822 8.855 485 HD2 PRO 67 HD2 PRO 67 24.979 14.872 9.758 486 HD3 PRO 67 HD1 PRO 67 26.330 14.188 10.691 487 H ALA 68 HN ALA 68 29.024 16.727 6.443 488 HA ALA 68 HA ALA 68 27.362 18.804 5.533 489 HB1 ALA 68 HB1 ALA 68 28.650 18.304 3.302 490 HB2 ALA 68 HB2 ALA 68 29.594 17.217 4.322 491 HB3 ALA 68 HB3 ALA 68 29.522 18.939 4.696 492 H LYS 69 HN LYS 69 27.475 15.373 4.749 493 HA LYS 69 HA LYS 69 25.774 15.399 2.507 494 HB2 LYS 69 HB2 LYS 69 26.305 13.276 4.594 495 HB3 LYS 69 HB1 LYS 69 25.326 12.995 3.154 496 HG2 LYS 69 HG2 LYS 69 27.230 13.645 1.727 497 HG3 LYS 69 HG1 LYS 69 28.211 13.926 3.165 498 HD2 LYS 69 HD2 LYS 69 27.929 11.555 3.815 499 HD3 LYS 69 HD1 LYS 69 26.974 11.278 2.359 500 HE2 LYS 69 HE2 LYS 69 29.840 12.266 2.377 501 HE3 LYS 69 HE1 LYS 69 29.355 10.597 2.074 502 HZ1 LYS 69 HZ1 LYS 69 29.666 11.747 0.002 503 HZ2 LYS 69 HZ2 LYS 69 28.591 12.976 0.469 504 HZ3 LYS 69 HZ3 LYS 69 28.018 11.399 0.200 505 H SER 70 HN SER 70 25.071 15.133 5.972 506 HA SER 70 HA SER 70 22.284 14.692 5.713 507 HB2 SER 70 HB2 SER 70 23.912 15.876 7.968 508 HB3 SER 70 HB1 SER 70 22.198 15.490 8.088 509 HG SER 70 HG SER 70 22.656 13.364 7.842 510 H ALA 71 HN ALA 71 24.233 17.627 6.006 511 HA ALA 71 HA ALA 71 21.843 19.308 5.878 512 HB1 ALA 71 HB1 ALA 71 23.728 21.132 5.900 513 HB2 ALA 71 HB2 ALA 71 24.755 19.790 6.405 514 HB3 ALA 71 HB3 ALA 71 23.353 20.243 7.377 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 39.428 -17.093 17.048 2 H2 GLY 1 HT2 GLY 1 40.940 -16.760 16.347 3 H3 GLY 1 HT3 GLY 1 39.808 -15.512 16.567 4 HA2 GLY 1 HA2 GLY 1 41.743 -16.553 18.391 5 HA3 GLY 1 HA1 GLY 1 40.823 -15.049 18.473 6 H GLY 2 HN GLY 2 38.267 -15.749 18.640 7 HA2 GLY 2 HA2 GLY 2 37.637 -17.964 20.294 8 HA3 GLY 2 HA1 GLY 2 37.867 -16.530 21.289 9 HA PRO 3 HA PRO 3 33.546 -16.534 19.499 10 HB2 PRO 3 HB2 PRO 3 32.138 -17.114 21.748 11 HB3 PRO 3 HB1 PRO 3 32.811 -18.374 20.693 12 HG2 PRO 3 HG2 PRO 3 33.782 -17.380 23.309 13 HG3 PRO 3 HG1 PRO 3 33.841 -19.008 22.619 14 HD2 PRO 3 HD2 PRO 3 35.969 -17.200 22.669 15 HD3 PRO 3 HD1 PRO 3 35.871 -18.633 21.624 16 H GLU 4 HN GLU 4 31.671 -15.183 20.321 17 HA GLU 4 HA GLU 4 30.863 -13.112 20.888 18 HB2 GLU 4 HB2 GLU 4 32.845 -13.495 23.143 19 HB3 GLU 4 HB1 GLU 4 31.645 -12.204 23.081 20 HG2 GLU 4 HG2 GLU 4 29.836 -13.848 23.004 21 HG3 GLU 4 HG1 GLU 4 31.007 -15.166 22.972 22 H THR 5 HN THR 5 32.649 -13.012 18.844 23 HA THR 5 HA THR 5 34.159 -10.534 19.413 24 HB THR 5 HB THR 5 35.891 -11.282 17.849 25 HG1 THR 5 HG1 THR 5 34.981 -12.643 16.472 26 HG21 THR 5 HG21 THR 5 35.400 -13.534 19.799 27 HG22 THR 5 HG22 THR 5 35.888 -11.927 20.341 28 HG23 THR 5 HG23 THR 5 36.942 -12.858 19.278 29 H LEU 6 HN LEU 6 34.559 -9.213 17.457 30 HA LEU 6 HA LEU 6 32.230 -9.357 15.648 31 HB2 LEU 6 HB2 LEU 6 34.034 -7.005 16.273 32 HB3 LEU 6 HB1 LEU 6 32.561 -6.965 15.304 33 HG LEU 6 HG LEU 6 32.699 -7.751 18.231 34 HD11 LEU 6 HD11 LEU 6 31.719 -5.224 16.871 35 HD12 LEU 6 HD12 LEU 6 33.116 -5.361 17.934 36 HD13 LEU 6 HD13 LEU 6 31.491 -5.596 18.578 37 HD21 LEU 6 HD21 LEU 6 30.429 -7.466 16.247 38 HD22 LEU 6 HD22 LEU 6 30.168 -7.466 17.991 39 HD23 LEU 6 HD23 LEU 6 30.857 -8.885 17.203 40 H CYS 7 HN CYS 7 32.577 -9.952 13.621 41 HA CYS 7 HA CYS 7 34.861 -9.078 12.117 42 HB2 CYS 7 HB2 CYS 7 35.829 -10.975 13.406 43 HB3 CYS 7 HB1 CYS 7 34.626 -12.042 12.682 44 H GLY 8 HN GLY 8 34.593 -9.349 9.904 45 HA2 GLY 8 HA2 GLY 8 33.418 -9.581 7.940 46 HA3 GLY 8 HA1 GLY 8 32.802 -11.079 8.629 47 H ALA 9 HN ALA 9 30.673 -11.125 8.455 48 HA ALA 9 HA ALA 9 28.996 -8.899 8.117 49 HB1 ALA 9 HB1 ALA 9 28.547 -11.780 8.803 50 HB2 ALA 9 HB2 ALA 9 28.026 -10.875 7.382 51 HB3 ALA 9 HB3 ALA 9 27.203 -10.644 8.926 52 H GLU 10 HN GLU 10 29.957 -10.701 11.010 53 HA GLU 10 HA GLU 10 28.116 -9.523 12.796 54 HB2 GLU 10 HB2 GLU 10 30.867 -10.705 13.209 55 HB3 GLU 10 HB1 GLU 10 29.850 -10.162 14.539 56 HG2 GLU 10 HG2 GLU 10 29.079 -12.253 12.482 57 HG3 GLU 10 HG1 GLU 10 29.594 -12.590 14.132 58 H LEU 11 HN LEU 11 31.350 -8.552 11.738 59 HA LEU 11 HA LEU 11 31.632 -6.365 13.510 60 HB2 LEU 11 HB2 LEU 11 33.538 -7.310 12.291 61 HB3 LEU 11 HB1 LEU 11 32.834 -6.782 10.763 62 HG LEU 11 HG LEU 11 32.940 -4.426 11.549 63 HD11 LEU 11 HD11 LEU 11 34.405 -4.013 13.587 64 HD12 LEU 11 HD12 LEU 11 34.222 -5.727 13.961 65 HD13 LEU 11 HD13 LEU 11 32.808 -4.676 13.930 66 HD21 LEU 11 HD21 LEU 11 35.636 -5.766 11.856 67 HD22 LEU 11 HD22 LEU 11 35.296 -4.157 11.218 68 HD23 LEU 11 HD23 LEU 11 34.832 -5.586 10.296 69 H VAL 12 HN VAL 12 30.348 -6.619 10.212 70 HA VAL 12 HA VAL 12 29.924 -3.898 9.757 71 HB VAL 12 HB VAL 12 28.587 -6.380 8.693 72 HG11 VAL 12 HG11 VAL 12 28.008 -3.462 8.084 73 HG12 VAL 12 HG12 VAL 12 26.850 -4.712 8.531 74 HG13 VAL 12 HG13 VAL 12 27.626 -4.754 6.948 75 HG21 VAL 12 HG21 VAL 12 29.756 -5.557 6.616 76 HG22 VAL 12 HG22 VAL 12 30.844 -6.004 7.933 77 HG23 VAL 12 HG23 VAL 12 30.504 -4.304 7.606 78 H ASP 13 HN ASP 13 27.769 -6.351 11.142 79 HA ASP 13 HA ASP 13 25.528 -4.672 11.513 80 HB2 ASP 13 HB2 ASP 13 25.497 -7.173 11.608 81 HB3 ASP 13 HB1 ASP 13 26.317 -7.081 13.165 82 H ALA 14 HN ALA 14 28.252 -5.512 13.628 83 HA ALA 14 HA ALA 14 27.360 -4.153 15.926 84 HB1 ALA 14 HB1 ALA 14 29.452 -4.567 16.810 85 HB2 ALA 14 HB2 ALA 14 30.276 -4.285 15.275 86 HB3 ALA 14 HB3 ALA 14 29.388 -5.787 15.538 87 H LEU 15 HN LEU 15 29.260 -3.059 13.143 88 HA LEU 15 HA LEU 15 29.955 -0.514 14.128 89 HB2 LEU 15 HB2 LEU 15 29.540 -1.569 11.328 90 HB3 LEU 15 HB1 LEU 15 30.118 0.063 11.658 91 HG LEU 15 HG LEU 15 31.463 -2.369 12.845 92 HD11 LEU 15 HD11 LEU 15 32.170 -0.916 10.277 93 HD12 LEU 15 HD12 LEU 15 31.468 -2.533 10.356 94 HD13 LEU 15 HD13 LEU 15 33.082 -2.238 11.007 95 HD21 LEU 15 HD21 LEU 15 32.012 -0.256 13.908 96 HD22 LEU 15 HD22 LEU 15 32.254 0.513 12.344 97 HD23 LEU 15 HD23 LEU 15 33.378 -0.727 12.899 98 H GLN 16 HN GLN 16 27.135 -1.619 12.264 99 HA GLN 16 HA GLN 16 25.943 0.936 11.975 100 HB2 GLN 16 HB2 GLN 16 25.325 -1.041 10.612 101 HB3 GLN 16 HB1 GLN 16 24.585 -1.769 12.040 102 HG2 GLN 16 HG2 GLN 16 23.018 0.089 12.224 103 HG3 GLN 16 HG1 GLN 16 23.804 0.921 10.883 104 HE21 GLN 16 HE21 GLN 16 21.254 0.598 10.280 105 HE22 GLN 16 HE22 GLN 16 20.959 -0.751 9.293 106 H PHE 17 HN PHE 17 25.579 -1.627 14.402 107 HA PHE 17 HA PHE 17 23.499 -0.431 15.886 108 HB2 PHE 17 HB2 PHE 17 23.989 -2.723 16.277 109 HB3 PHE 17 HB1 PHE 17 25.677 -2.371 16.646 110 HD1 PHE 17 HD1 PHE 17 22.183 -2.033 17.871 111 HD2 PHE 17 HD2 PHE 17 26.355 -1.541 18.800 112 HE1 PHE 17 HE1 PHE 17 21.616 -1.709 20.266 113 HE2 PHE 17 HE2 PHE 17 25.783 -1.228 21.191 114 HZ PHE 17 HZ PHE 17 23.416 -1.312 21.925 115 H VAL 18 HN VAL 18 27.027 -0.357 16.395 116 HA VAL 18 HA VAL 18 26.979 1.272 18.692 117 HB VAL 18 HB VAL 18 29.121 0.861 16.598 118 HG11 VAL 18 HG11 VAL 18 30.618 1.679 18.499 119 HG12 VAL 18 HG12 VAL 18 29.148 2.284 19.262 120 HG13 VAL 18 HG13 VAL 18 29.650 2.910 17.690 121 HG21 VAL 18 HG21 VAL 18 28.313 -1.120 17.977 122 HG22 VAL 18 HG22 VAL 18 28.903 -0.265 19.403 123 HG23 VAL 18 HG23 VAL 18 30.031 -0.746 18.131 124 H CYS 19 HN CYS 19 27.534 2.115 15.273 125 HA CYS 19 HA CYS 19 27.762 4.925 15.744 126 HB2 CYS 19 HB2 CYS 19 27.128 3.370 13.225 127 HB3 CYS 19 HB1 CYS 19 27.477 5.090 13.280 128 H GLY 20 HN GLY 20 25.107 2.804 14.852 129 HA2 GLY 20 HA2 GLY 20 22.828 3.122 14.872 130 HA3 GLY 20 HA1 GLY 20 23.123 4.499 15.929 131 H ASP 21 HN ASP 21 22.100 6.213 15.099 132 HA ASP 21 HA ASP 21 21.384 6.566 12.408 133 HB2 ASP 21 HB2 ASP 21 21.693 8.534 14.677 134 HB3 ASP 21 HB1 ASP 21 21.063 8.984 13.093 135 H ARG 22 HN ARG 22 24.315 7.357 14.143 136 HA ARG 22 HA ARG 22 25.403 9.249 12.356 137 HB2 ARG 22 HB2 ARG 22 26.721 7.255 14.204 138 HB3 ARG 22 HB1 ARG 22 27.609 8.479 13.305 139 HG2 ARG 22 HG2 ARG 22 26.105 10.218 14.348 140 HG3 ARG 22 HG1 ARG 22 25.455 8.942 15.379 141 HD2 ARG 22 HD2 ARG 22 28.389 9.665 15.204 142 HD3 ARG 22 HD1 ARG 22 27.303 10.234 16.469 143 HE ARG 22 HE ARG 22 28.402 7.562 16.189 144 HH11 ARG 22 HH11 ARG 22 25.878 9.533 17.589 145 HH12 ARG 22 HH12 ARG 22 25.568 8.426 18.876 146 HH21 ARG 22 HH21 ARG 22 27.961 6.137 17.883 147 HH22 ARG 22 HH22 ARG 22 26.732 6.518 19.042 148 H GLY 23 HN GLY 23 25.501 5.705 12.392 149 HA2 GLY 23 HA2 GLY 23 25.877 4.229 10.646 150 HA3 GLY 23 HA1 GLY 23 25.983 5.611 9.558 151 H PHE 24 HN PHE 24 27.740 3.909 8.836 152 HA PHE 24 HA PHE 24 30.294 5.012 9.707 153 HB2 PHE 24 HB2 PHE 24 31.302 2.851 10.177 154 HB3 PHE 24 HB1 PHE 24 29.897 3.073 11.216 155 HD1 PHE 24 HD1 PHE 24 31.418 1.055 8.633 156 HD2 PHE 24 HD2 PHE 24 27.694 2.020 10.543 157 HE1 PHE 24 HE1 PHE 24 30.404 -1.004 7.705 158 HE2 PHE 24 HE2 PHE 24 26.684 -0.044 9.619 159 HZ PHE 24 HZ PHE 24 28.039 -1.553 8.198 160 H TYR 25 HN TYR 25 32.072 4.355 8.275 161 HA TYR 25 HA TYR 25 31.307 3.139 5.736 162 HB2 TYR 25 HB2 TYR 25 32.034 5.019 4.390 163 HB3 TYR 25 HB1 TYR 25 30.778 5.570 5.498 164 HD1 TYR 25 HD1 TYR 25 34.380 5.641 4.726 165 HD2 TYR 25 HD2 TYR 25 31.307 7.026 7.389 166 HE1 TYR 25 HE1 TYR 25 35.946 7.317 5.658 167 HE2 TYR 25 HE2 TYR 25 32.876 8.708 8.322 168 HH TYR 25 HH TYR 25 35.206 9.141 8.506 169 H PHE 26 HN PHE 26 33.203 2.793 4.324 170 HA PHE 26 HA PHE 26 35.683 2.555 5.922 171 HB2 PHE 26 HB2 PHE 26 34.699 0.793 3.664 172 HB3 PHE 26 HB1 PHE 26 36.229 0.600 4.521 173 HD1 PHE 26 HD1 PHE 26 32.681 -0.070 4.557 174 HD2 PHE 26 HD2 PHE 26 36.181 0.192 7.033 175 HE1 PHE 26 HE1 PHE 26 31.526 -1.370 6.326 176 HE2 PHE 26 HE2 PHE 26 35.026 -1.107 8.803 177 HZ PHE 26 HZ PHE 26 32.698 -1.889 8.449 178 H ASN 27 HN ASN 27 34.225 3.637 2.959 179 HA ASN 27 HA ASN 27 36.612 5.131 2.291 180 HB2 ASN 27 HB2 ASN 27 36.996 2.866 1.275 181 HB3 ASN 27 HB1 ASN 27 35.564 3.131 0.281 182 HD21 ASN 27 HD21 ASN 27 36.817 3.213 -1.714 183 HD22 ASN 27 HD22 ASN 27 37.825 4.531 -2.070 184 H LYS 28 HN LYS 28 35.635 7.062 2.143 185 HA LYS 28 HA LYS 28 32.976 7.384 1.163 186 HB2 LYS 28 HB2 LYS 28 35.157 9.393 1.729 187 HB3 LYS 28 HB1 LYS 28 33.512 9.831 1.268 188 HG2 LYS 28 HG2 LYS 28 32.649 8.542 3.210 189 HG3 LYS 28 HG1 LYS 28 34.308 8.207 3.694 190 HD2 LYS 28 HD2 LYS 28 33.213 11.006 3.334 191 HD3 LYS 28 HD1 LYS 28 33.252 10.169 4.886 192 HE2 LYS 28 HE2 LYS 28 35.722 9.879 4.615 193 HE3 LYS 28 HE1 LYS 28 35.639 10.849 3.146 194 HZ1 LYS 28 HZ1 LYS 28 35.151 11.674 5.932 195 HZ2 LYS 28 HZ2 LYS 28 34.484 12.554 4.641 196 HZ3 LYS 28 HZ3 LYS 28 36.168 12.380 4.774 197 HA PRO 29 HA PRO 29 33.427 7.762 -3.208 198 HB2 PRO 29 HB2 PRO 29 32.152 10.459 -2.999 199 HB3 PRO 29 HB1 PRO 29 31.691 9.068 -3.999 200 HG2 PRO 29 HG2 PRO 29 30.297 9.697 -1.844 201 HG3 PRO 29 HG1 PRO 29 30.617 8.000 -2.254 202 HD2 PRO 29 HD2 PRO 29 31.894 9.703 -0.139 203 HD3 PRO 29 HD1 PRO 29 31.481 7.972 -0.106 204 H THR 30 HN THR 30 34.154 10.747 -1.401 205 HA THR 30 HA THR 30 36.478 11.178 -3.171 206 HB THR 30 HB THR 30 34.639 13.291 -2.025 207 HG1 THR 30 HG1 THR 30 33.729 12.345 -3.808 208 HG21 THR 30 HG21 THR 30 36.082 14.785 -3.490 209 HG22 THR 30 HG22 THR 30 37.205 13.432 -3.612 210 HG23 THR 30 HG23 THR 30 36.864 14.155 -2.041 211 H GLY 31 HN GLY 31 38.380 11.376 -2.124 212 HA2 GLY 31 HA2 GLY 31 39.197 12.733 -0.001 213 HA3 GLY 31 HA1 GLY 31 38.371 11.396 0.795 214 H TYR 32 HN TYR 32 39.179 9.716 -1.664 215 HA TYR 32 HA TYR 32 41.586 8.689 -0.490 216 HB2 TYR 32 HB2 TYR 32 39.942 7.149 -1.420 217 HB3 TYR 32 HB1 TYR 32 40.111 7.901 -3.008 218 HD1 TYR 32 HD1 TYR 32 41.987 6.048 -0.367 219 HD2 TYR 32 HD2 TYR 32 41.845 7.256 -4.487 220 HE1 TYR 32 HE1 TYR 32 43.905 4.558 -0.870 221 HE2 TYR 32 HE2 TYR 32 43.763 5.767 -4.990 222 HH TYR 32 HH TYR 32 45.775 4.787 -3.478 223 H GLY 33 HN GLY 33 43.592 9.276 -0.957 224 HA2 GLY 33 HA2 GLY 33 45.431 9.888 -2.244 225 HA3 GLY 33 HA1 GLY 33 44.371 10.027 -3.643 226 H SER 34 HN SER 34 42.828 11.708 -1.282 227 HA SER 34 HA SER 34 44.142 14.244 -2.040 228 HB2 SER 34 HB2 SER 34 41.936 15.298 -1.770 229 HB3 SER 34 HB1 SER 34 41.878 14.014 -2.976 230 HG SER 34 HG SER 34 40.174 13.651 -1.645 231 H SER 35 HN SER 35 43.164 12.165 0.531 232 HA SER 35 HA SER 35 43.376 14.283 2.541 233 HB2 SER 35 HB2 SER 35 41.581 12.710 2.871 234 HB3 SER 35 HB1 SER 35 42.686 11.347 2.713 235 HG SER 35 HG SER 35 43.735 12.085 4.600 236 H SER 36 HN SER 36 45.501 14.830 2.679 237 HA SER 36 HA SER 36 47.744 14.671 3.167 238 HB2 SER 36 HB2 SER 36 46.751 12.349 4.835 239 HB3 SER 36 HB1 SER 36 48.305 13.157 5.018 240 HG SER 36 HG SER 36 47.280 14.978 5.683 241 H ARG 37 HN ARG 37 46.679 13.147 0.861 242 HA ARG 37 HA ARG 37 47.333 11.537 -0.651 243 HB2 ARG 37 HB2 ARG 37 50.016 12.159 0.607 244 HB3 ARG 37 HB1 ARG 37 49.770 11.354 -0.945 245 HG2 ARG 37 HG2 ARG 37 48.646 13.327 -1.837 246 HG3 ARG 37 HG1 ARG 37 48.756 14.129 -0.270 247 HD2 ARG 37 HD2 ARG 37 50.551 14.957 -1.670 248 HD3 ARG 37 HD1 ARG 37 51.248 13.947 -0.409 249 HE ARG 37 HE ARG 37 50.714 12.390 -2.728 250 HH11 ARG 37 HH11 ARG 37 52.873 14.831 -1.475 251 HH12 ARG 37 HH12 ARG 37 54.194 14.348 -2.479 252 HH21 ARG 37 HH21 ARG 37 52.463 11.784 -4.028 253 HH22 ARG 37 HH22 ARG 37 53.966 12.637 -3.915 254 H ARG 38 HN ARG 38 46.490 10.603 1.996 255 HA ARG 38 HA ARG 38 47.625 7.918 1.819 256 HB2 ARG 38 HB2 ARG 38 48.987 9.211 3.507 257 HB3 ARG 38 HB1 ARG 38 47.516 9.381 4.465 258 HG2 ARG 38 HG2 ARG 38 47.298 6.942 4.604 259 HG3 ARG 38 HG1 ARG 38 48.723 6.742 3.590 260 HD2 ARG 38 HD2 ARG 38 50.092 7.903 5.285 261 HD3 ARG 38 HD1 ARG 38 48.667 8.090 6.302 262 HE ARG 38 HE ARG 38 48.848 5.853 6.897 263 HH11 ARG 38 HH11 ARG 38 50.853 6.521 4.117 264 HH12 ARG 38 HH12 ARG 38 51.635 4.983 4.164 265 HH21 ARG 38 HH21 ARG 38 49.890 3.850 6.925 266 HH22 ARG 38 HH22 ARG 38 51.095 3.480 5.736 267 H ALA 39 HN ALA 39 46.151 6.351 2.293 268 HA ALA 39 HA ALA 39 43.553 7.231 3.402 269 HB1 ALA 39 HB1 ALA 39 42.409 5.772 1.855 270 HB2 ALA 39 HB2 ALA 39 43.941 5.164 1.230 271 HB3 ALA 39 HB3 ALA 39 43.470 6.837 0.933 272 HA PRO 40 HA PRO 40 45.184 3.651 5.846 273 HB2 PRO 40 HB2 PRO 40 44.751 4.727 8.309 274 HB3 PRO 40 HB1 PRO 40 46.205 5.070 7.357 275 HG2 PRO 40 HG2 PRO 40 43.778 6.734 7.768 276 HG3 PRO 40 HG1 PRO 40 45.478 7.219 7.648 277 HD2 PRO 40 HD2 PRO 40 43.651 7.427 5.577 278 HD3 PRO 40 HD1 PRO 40 45.410 7.341 5.358 279 H GLN 41 HN GLN 41 42.857 3.331 4.616 280 HA GLN 41 HA GLN 41 40.790 2.991 6.685 281 HB2 GLN 41 HB2 GLN 41 40.628 3.077 3.668 282 HB3 GLN 41 HB1 GLN 41 39.266 2.639 4.703 283 HG2 GLN 41 HG2 GLN 41 39.310 4.792 5.792 284 HG3 GLN 41 HG1 GLN 41 40.816 5.225 4.987 285 HE21 GLN 41 HE21 GLN 41 38.191 6.643 4.805 286 HE22 GLN 41 HE22 GLN 41 37.776 6.629 3.159 287 H THR 42 HN THR 42 43.241 1.245 5.858 288 HA THR 42 HA THR 42 41.735 -1.278 5.566 289 HB THR 42 HB THR 42 44.555 -0.646 4.667 290 HG1 THR 42 HG1 THR 42 43.522 0.011 2.974 291 HG21 THR 42 HG21 THR 42 44.384 -2.951 5.380 292 HG22 THR 42 HG22 THR 42 44.368 -2.917 3.617 293 HG23 THR 42 HG23 THR 42 42.865 -3.152 4.507 294 H GLY 43 HN GLY 43 42.033 -2.824 7.057 295 HA2 GLY 43 HA2 GLY 43 43.471 -3.996 8.629 296 HA3 GLY 43 HA1 GLY 43 44.183 -2.441 9.046 297 H ILE 44 HN ILE 44 41.205 -1.423 8.848 298 HA ILE 44 HA ILE 44 40.710 -1.352 11.613 299 HB ILE 44 HB ILE 44 38.919 -0.892 9.221 300 HG12 ILE 44 HG12 ILE 44 40.169 1.085 11.151 301 HG13 ILE 44 HG11 ILE 44 40.924 0.617 9.628 302 HG21 ILE 44 HG21 ILE 44 37.454 -1.408 11.023 303 HG22 ILE 44 HG22 ILE 44 37.511 0.350 10.942 304 HG23 ILE 44 HG23 ILE 44 38.435 -0.505 12.177 305 HD11 ILE 44 HD11 ILE 44 39.581 2.710 9.422 306 HD12 ILE 44 HD12 ILE 44 38.141 1.799 9.877 307 HD13 ILE 44 HD13 ILE 44 38.986 1.421 8.376 308 H VAL 45 HN VAL 45 39.236 -3.297 9.018 309 HA VAL 45 HA VAL 45 37.468 -4.760 10.679 310 HB VAL 45 HB VAL 45 38.651 -5.351 7.961 311 HG11 VAL 45 HG11 VAL 45 38.177 -7.505 8.940 312 HG12 VAL 45 HG12 VAL 45 36.811 -7.112 7.890 313 HG13 VAL 45 HG13 VAL 45 36.664 -6.915 9.637 314 HG21 VAL 45 HG21 VAL 45 36.201 -4.943 7.362 315 HG22 VAL 45 HG22 VAL 45 37.086 -3.526 7.928 316 HG23 VAL 45 HG23 VAL 45 35.983 -4.369 9.016 317 H ASP 46 HN ASP 46 40.719 -5.452 9.468 318 HA ASP 46 HA ASP 46 40.958 -8.032 10.572 319 HB2 ASP 46 HB2 ASP 46 43.020 -5.958 9.840 320 HB3 ASP 46 HB1 ASP 46 43.436 -7.574 10.406 321 H GLU 47 HN GLU 47 41.662 -4.817 11.925 322 HA GLU 47 HA GLU 47 43.036 -5.676 14.222 323 HB2 GLU 47 HB2 GLU 47 42.926 -3.332 13.480 324 HB3 GLU 47 HB1 GLU 47 41.205 -3.293 13.860 325 HG2 GLU 47 HG2 GLU 47 42.491 -2.301 15.690 326 HG3 GLU 47 HG1 GLU 47 41.735 -3.797 16.232 327 H CYS 48 HN CYS 48 39.550 -4.911 13.818 328 HA CYS 48 HA CYS 48 38.847 -5.766 16.462 329 HB2 CYS 48 HB2 CYS 48 37.154 -5.314 14.003 330 HB3 CYS 48 HB1 CYS 48 36.525 -5.682 15.597 331 H CYS 49 HN CYS 49 38.735 -7.295 13.277 332 HA CYS 49 HA CYS 49 37.328 -9.616 13.994 333 HB2 CYS 49 HB2 CYS 49 37.717 -8.942 11.660 334 HB3 CYS 49 HB1 CYS 49 39.436 -9.281 11.851 335 H PHE 50 HN PHE 50 40.836 -9.017 13.832 336 HA PHE 50 HA PHE 50 41.392 -11.632 14.939 337 HB2 PHE 50 HB2 PHE 50 43.078 -9.319 14.007 338 HB3 PHE 50 HB1 PHE 50 43.803 -10.696 14.849 339 HD1 PHE 50 HD1 PHE 50 41.784 -9.655 11.922 340 HD2 PHE 50 HD2 PHE 50 44.110 -12.792 13.704 341 HE1 PHE 50 HE1 PHE 50 41.737 -10.888 9.777 342 HE2 PHE 50 HE2 PHE 50 44.070 -14.038 11.557 343 HZ PHE 50 HZ PHE 50 42.886 -13.088 9.593 344 H ARG 51 HN ARG 51 42.555 -8.393 15.864 345 HA ARG 51 HA ARG 51 42.861 -9.179 18.625 346 HB2 ARG 51 HB2 ARG 51 43.240 -6.534 17.212 347 HB3 ARG 51 HB1 ARG 51 43.569 -6.794 18.926 348 HG2 ARG 51 HG2 ARG 51 45.213 -8.510 18.395 349 HG3 ARG 51 HG1 ARG 51 44.831 -8.388 16.678 350 HD2 ARG 51 HD2 ARG 51 46.854 -7.112 17.140 351 HD3 ARG 51 HD1 ARG 51 45.548 -6.008 16.717 352 HE ARG 51 HE ARG 51 45.653 -6.369 19.535 353 HH11 ARG 51 HH11 ARG 51 47.322 -4.836 16.881 354 HH12 ARG 51 HH12 ARG 51 47.963 -3.566 17.861 355 HH21 ARG 51 HH21 ARG 51 46.507 -4.691 20.790 356 HH22 ARG 51 HH22 ARG 51 47.507 -3.482 20.058 357 H SER 52 HN SER 52 41.906 -7.900 20.405 358 HA SER 52 HA SER 52 39.055 -7.505 19.901 359 HB2 SER 52 HB2 SER 52 39.732 -8.867 21.827 360 HB3 SER 52 HB1 SER 52 40.643 -7.507 22.479 361 HG SER 52 HG SER 52 37.844 -7.717 22.061 362 H CYS 53 HN CYS 53 38.878 -5.524 18.884 363 HA CYS 53 HA CYS 53 40.223 -3.184 19.929 364 HB2 CYS 53 HB2 CYS 53 39.091 -1.992 18.131 365 HB3 CYS 53 HB1 CYS 53 39.785 -3.478 17.500 366 H ASP 54 HN ASP 54 39.370 -1.597 21.191 367 HA ASP 54 HA ASP 54 37.141 -2.195 22.840 368 HB2 ASP 54 HB2 ASP 54 38.729 0.332 22.392 369 HB3 ASP 54 HB1 ASP 54 37.413 0.227 23.557 370 H LEU 55 HN LEU 55 35.076 -1.333 22.896 371 HA LEU 55 HA LEU 55 33.832 -0.811 20.411 372 HB2 LEU 55 HB2 LEU 55 32.897 -0.398 23.259 373 HB3 LEU 55 HB1 LEU 55 31.861 -0.171 21.849 374 HG LEU 55 HG LEU 55 33.368 -2.740 22.405 375 HD11 LEU 55 HD11 LEU 55 30.466 -2.062 22.994 376 HD12 LEU 55 HD12 LEU 55 31.731 -2.263 24.207 377 HD13 LEU 55 HD13 LEU 55 31.229 -3.636 23.222 378 HD21 LEU 55 HD21 LEU 55 31.526 -3.591 20.826 379 HD22 LEU 55 HD22 LEU 55 32.775 -2.585 20.094 380 HD23 LEU 55 HD23 LEU 55 31.194 -1.897 20.469 381 H ARG 56 HN ARG 56 34.945 1.302 23.021 382 HA ARG 56 HA ARG 56 33.820 3.700 22.096 383 HB2 ARG 56 HB2 ARG 56 34.833 3.468 24.321 384 HB3 ARG 56 HB1 ARG 56 36.425 3.283 23.584 385 HG2 ARG 56 HG2 ARG 56 36.299 5.523 22.640 386 HG3 ARG 56 HG1 ARG 56 34.645 5.710 23.225 387 HD2 ARG 56 HD2 ARG 56 36.190 6.840 24.747 388 HD3 ARG 56 HD1 ARG 56 35.453 5.460 25.553 389 HE ARG 56 HE ARG 56 37.932 4.739 24.323 390 HH11 ARG 56 HH11 ARG 56 36.535 6.372 27.074 391 HH12 ARG 56 HH12 ARG 56 37.899 6.075 28.092 392 HH21 ARG 56 HH21 ARG 56 39.701 4.368 25.683 393 HH22 ARG 56 HH22 ARG 56 39.678 4.949 27.313 394 H ARG 57 HN ARG 57 37.000 2.231 21.403 395 HA ARG 57 HA ARG 57 37.954 4.283 19.740 396 HB2 ARG 57 HB2 ARG 57 39.265 2.379 20.766 397 HB3 ARG 57 HB1 ARG 57 38.599 1.344 19.500 398 HG2 ARG 57 HG2 ARG 57 39.538 2.786 17.781 399 HG3 ARG 57 HG1 ARG 57 40.124 3.899 19.018 400 HD2 ARG 57 HD2 ARG 57 41.995 2.544 18.428 401 HD3 ARG 57 HD1 ARG 57 41.427 1.972 19.995 402 HE ARG 57 HE ARG 57 40.164 0.475 17.960 403 HH11 ARG 57 HH11 ARG 57 43.305 0.972 19.408 404 HH12 ARG 57 HH12 ARG 57 43.851 -0.628 19.055 405 HH21 ARG 57 HH21 ARG 57 40.918 -1.606 17.506 406 HH22 ARG 57 HH22 ARG 57 42.512 -2.078 17.988 407 H LEU 58 HN LEU 58 36.034 1.389 19.112 408 HA LEU 58 HA LEU 58 36.055 1.460 16.307 409 HB2 LEU 58 HB2 LEU 58 35.195 -0.413 17.810 410 HB3 LEU 58 HB1 LEU 58 33.714 0.532 17.971 411 HG LEU 58 HG LEU 58 33.761 0.624 15.368 412 HD11 LEU 58 HD11 LEU 58 36.117 -0.390 15.354 413 HD12 LEU 58 HD12 LEU 58 34.950 -1.108 14.248 414 HD13 LEU 58 HD13 LEU 58 35.345 -1.919 15.762 415 HD21 LEU 58 HD21 LEU 58 33.109 -1.819 17.022 416 HD22 LEU 58 HD22 LEU 58 32.715 -1.723 15.306 417 HD23 LEU 58 HD23 LEU 58 32.007 -0.573 16.439 418 H ASP 59 HN ASP 59 34.171 3.223 18.669 419 HA ASP 59 HA ASP 59 32.067 4.161 17.090 420 HB2 ASP 59 HB2 ASP 59 32.366 4.465 19.586 421 HB3 ASP 59 HB1 ASP 59 33.484 5.775 19.213 422 H MET 60 HN MET 60 35.428 5.164 17.221 423 HA MET 60 HA MET 60 35.181 7.669 15.961 424 HB2 MET 60 HB2 MET 60 37.442 5.666 15.972 425 HB3 MET 60 HB1 MET 60 37.572 7.274 15.259 426 HG2 MET 60 HG2 MET 60 36.799 8.181 17.524 427 HG3 MET 60 HG1 MET 60 37.070 6.556 18.155 428 HE1 MET 60 HE1 MET 60 40.673 5.817 17.893 429 HE2 MET 60 HE2 MET 60 39.797 5.625 16.376 430 HE3 MET 60 HE3 MET 60 38.997 5.251 17.900 431 H TYR 61 HN TYR 61 34.845 4.459 14.720 432 HA TYR 61 HA TYR 61 35.479 5.118 12.011 433 HB2 TYR 61 HB2 TYR 61 34.102 2.751 13.290 434 HB3 TYR 61 HB1 TYR 61 34.394 2.851 11.547 435 HD1 TYR 61 HD1 TYR 61 35.516 1.285 14.275 436 HD2 TYR 61 HD2 TYR 61 37.053 3.974 11.304 437 HE1 TYR 61 HE1 TYR 61 37.804 0.477 14.741 438 HE2 TYR 61 HE2 TYR 61 39.352 3.165 11.764 439 HH TYR 61 HH TYR 61 40.559 2.082 13.730 440 H CYS 62 HN CYS 62 32.862 5.845 13.993 441 HA CYS 62 HA CYS 62 30.691 5.567 12.170 442 HB2 CYS 62 HB2 CYS 62 31.028 7.372 14.577 443 HB3 CYS 62 HB1 CYS 62 29.503 7.047 13.755 444 H ALA 63 HN ALA 63 29.703 7.118 10.877 445 HA ALA 63 HA ALA 63 31.441 9.021 9.684 446 HB1 ALA 63 HB1 ALA 63 29.323 7.653 8.768 447 HB2 ALA 63 HB2 ALA 63 29.850 9.170 8.040 448 HB3 ALA 63 HB3 ALA 63 28.509 9.159 9.186 449 HA PRO 64 HA PRO 64 30.739 12.809 11.807 450 HB2 PRO 64 HB2 PRO 64 29.489 13.895 9.317 451 HB3 PRO 64 HB1 PRO 64 30.830 14.543 10.280 452 HG2 PRO 64 HG2 PRO 64 31.264 13.341 7.954 453 HG3 PRO 64 HG1 PRO 64 32.378 13.144 9.318 454 HD2 PRO 64 HD2 PRO 64 30.389 11.190 8.225 455 HD3 PRO 64 HD1 PRO 64 31.959 10.903 9.003 456 H LEU 65 HN LEU 65 29.144 13.720 13.053 457 HA LEU 65 HA LEU 65 26.540 12.566 13.044 458 HB2 LEU 65 HB2 LEU 65 27.892 14.743 14.597 459 HB3 LEU 65 HB1 LEU 65 26.145 14.534 14.725 460 HG LEU 65 HG LEU 65 26.591 12.075 15.198 461 HD11 LEU 65 HD11 LEU 65 28.935 11.685 16.148 462 HD12 LEU 65 HD12 LEU 65 29.406 13.176 15.333 463 HD13 LEU 65 HD13 LEU 65 28.824 11.802 14.390 464 HD21 LEU 65 HD21 LEU 65 27.398 12.571 17.568 465 HD22 LEU 65 HD22 LEU 65 25.985 13.485 17.037 466 HD23 LEU 65 HD23 LEU 65 27.574 14.251 17.059 467 H LYS 66 HN LYS 66 24.596 13.369 12.386 468 HA LYS 66 HA LYS 66 24.630 15.255 10.255 469 HB2 LYS 66 HB2 LYS 66 22.371 13.924 11.753 470 HB3 LYS 66 HB1 LYS 66 22.114 15.019 10.395 471 HG2 LYS 66 HG2 LYS 66 23.386 13.592 8.916 472 HG3 LYS 66 HG1 LYS 66 23.872 12.556 10.259 473 HD2 LYS 66 HD2 LYS 66 22.048 11.472 9.083 474 HD3 LYS 66 HD1 LYS 66 21.450 12.026 10.646 475 HE2 LYS 66 HE2 LYS 66 20.458 14.001 9.611 476 HE3 LYS 66 HE1 LYS 66 21.139 13.557 8.047 477 HZ1 LYS 66 HZ1 LYS 66 19.866 11.358 8.473 478 HZ2 LYS 66 HZ2 LYS 66 19.023 12.718 7.900 479 HZ3 LYS 66 HZ3 LYS 66 18.946 12.297 9.545 480 HA PRO 67 HA PRO 67 23.988 19.028 12.467 481 HB2 PRO 67 HB2 PRO 67 22.488 20.459 10.687 482 HB3 PRO 67 HB1 PRO 67 24.218 20.133 10.459 483 HG2 PRO 67 HG2 PRO 67 21.859 18.782 9.241 484 HG3 PRO 67 HG1 PRO 67 23.408 19.230 8.508 485 HD2 PRO 67 HD2 PRO 67 22.836 16.681 9.313 486 HD3 PRO 67 HD1 PRO 67 24.485 17.344 9.296 487 H ALA 68 HN ALA 68 22.435 20.277 13.637 488 HA ALA 68 HA ALA 68 20.496 20.633 14.815 489 HB1 ALA 68 HB1 ALA 68 19.594 20.699 12.399 490 HB2 ALA 68 HB2 ALA 68 18.434 20.412 13.698 491 HB3 ALA 68 HB3 ALA 68 19.011 19.066 12.716 492 H LYS 69 HN LYS 69 21.714 18.960 16.181 493 HA LYS 69 HA LYS 69 20.932 16.254 16.248 494 HB2 LYS 69 HB2 LYS 69 21.985 18.090 18.405 495 HB3 LYS 69 HB1 LYS 69 21.738 16.359 18.637 496 HG2 LYS 69 HG2 LYS 69 23.260 15.882 16.760 497 HG3 LYS 69 HG1 LYS 69 23.503 17.611 16.512 498 HD2 LYS 69 HD2 LYS 69 24.452 17.820 18.769 499 HD3 LYS 69 HD1 LYS 69 24.178 16.101 19.054 500 HE2 LYS 69 HE2 LYS 69 26.513 16.492 18.394 501 HE3 LYS 69 HE1 LYS 69 25.674 15.559 17.154 502 HZ1 LYS 69 HZ1 LYS 69 25.720 18.492 16.974 503 HZ2 LYS 69 HZ2 LYS 69 25.596 17.339 15.733 504 HZ3 LYS 69 HZ3 LYS 69 27.089 17.613 16.496 505 H SER 70 HN SER 70 19.596 19.131 17.816 506 HA SER 70 HA SER 70 17.748 17.827 19.501 507 HB2 SER 70 HB2 SER 70 16.616 19.986 19.619 508 HB3 SER 70 HB1 SER 70 18.360 20.217 19.706 509 HG SER 70 HG SER 70 16.794 21.404 18.074 510 H ALA 71 HN ALA 71 17.742 18.432 16.084 511 HA ALA 71 HA ALA 71 16.225 17.968 14.423 512 HB1 ALA 71 HB1 ALA 71 15.219 15.995 16.487 513 HB2 ALA 71 HB2 ALA 71 16.495 15.693 15.308 514 HB3 ALA 71 HB3 ALA 71 14.839 15.963 14.766 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 29.882 -19.839 16.619 2 H2 GLY 1 HT2 GLY 1 29.856 -21.290 17.500 3 H3 GLY 1 HT3 GLY 1 31.339 -20.587 17.058 4 HA2 GLY 1 HA2 GLY 1 29.370 -19.297 18.863 5 HA3 GLY 1 HA1 GLY 1 30.747 -20.244 19.426 6 H GLY 2 HN GLY 2 32.095 -18.741 20.272 7 HA2 GLY 2 HA2 GLY 2 33.642 -17.041 20.330 8 HA3 GLY 2 HA1 GLY 2 33.631 -17.080 18.571 9 HA PRO 3 HA PRO 3 30.088 -14.049 19.645 10 HB2 PRO 3 HB2 PRO 3 29.540 -13.540 22.267 11 HB3 PRO 3 HB1 PRO 3 28.777 -14.857 21.355 12 HG2 PRO 3 HG2 PRO 3 31.056 -14.954 23.271 13 HG3 PRO 3 HG1 PRO 3 29.703 -16.080 23.067 14 HD2 PRO 3 HD2 PRO 3 32.202 -16.562 22.063 15 HD3 PRO 3 HD1 PRO 3 30.720 -17.198 21.317 16 H GLU 4 HN GLU 4 33.075 -14.113 21.181 17 HA GLU 4 HA GLU 4 33.153 -11.258 21.733 18 HB2 GLU 4 HB2 GLU 4 35.273 -13.385 22.091 19 HB3 GLU 4 HB1 GLU 4 35.414 -11.706 22.611 20 HG2 GLU 4 HG2 GLU 4 33.253 -13.615 23.547 21 HG3 GLU 4 HG1 GLU 4 34.713 -13.232 24.459 22 H THR 5 HN THR 5 33.521 -13.119 19.045 23 HA THR 5 HA THR 5 35.520 -11.297 17.875 24 HB THR 5 HB THR 5 34.786 -14.126 17.093 25 HG1 THR 5 HG1 THR 5 36.581 -14.674 18.093 26 HG21 THR 5 HG21 THR 5 36.760 -13.829 15.544 27 HG22 THR 5 HG22 THR 5 36.687 -12.104 15.907 28 HG23 THR 5 HG23 THR 5 35.325 -12.896 15.115 29 H LEU 6 HN LEU 6 34.801 -9.946 16.356 30 HA LEU 6 HA LEU 6 32.222 -10.565 15.040 31 HB2 LEU 6 HB2 LEU 6 33.386 -7.834 15.637 32 HB3 LEU 6 HB1 LEU 6 31.801 -8.175 14.941 33 HG LEU 6 HG LEU 6 32.711 -9.073 17.691 34 HD11 LEU 6 HD11 LEU 6 30.649 -6.970 16.999 35 HD12 LEU 6 HD12 LEU 6 32.332 -6.575 17.351 36 HD13 LEU 6 HD13 LEU 6 31.327 -7.338 18.584 37 HD21 LEU 6 HD21 LEU 6 30.204 -9.513 17.906 38 HD22 LEU 6 HD22 LEU 6 31.082 -10.614 16.846 39 HD23 LEU 6 HD23 LEU 6 30.113 -9.312 16.156 40 H CYS 7 HN CYS 7 32.765 -11.334 13.071 41 HA CYS 7 HA CYS 7 34.535 -9.653 11.411 42 HB2 CYS 7 HB2 CYS 7 34.505 -12.680 11.489 43 HB3 CYS 7 HB1 CYS 7 35.458 -11.687 10.387 44 H GLY 8 HN GLY 8 34.120 -9.801 9.120 45 HA2 GLY 8 HA2 GLY 8 32.732 -9.819 7.285 46 HA3 GLY 8 HA1 GLY 8 32.064 -11.307 7.947 47 H ALA 9 HN ALA 9 29.937 -11.193 8.121 48 HA ALA 9 HA ALA 9 28.422 -8.825 8.064 49 HB1 ALA 9 HB1 ALA 9 27.178 -10.667 7.433 50 HB2 ALA 9 HB2 ALA 9 26.622 -10.452 9.093 51 HB3 ALA 9 HB3 ALA 9 27.830 -11.682 8.718 52 H GLU 10 HN GLU 10 29.610 -10.782 10.761 53 HA GLU 10 HA GLU 10 28.115 -9.602 12.823 54 HB2 GLU 10 HB2 GLU 10 30.869 -10.846 12.785 55 HB3 GLU 10 HB1 GLU 10 30.078 -10.317 14.271 56 HG2 GLU 10 HG2 GLU 10 28.240 -11.840 13.917 57 HG3 GLU 10 HG1 GLU 10 28.825 -12.252 12.305 58 H LEU 11 HN LEU 11 31.255 -8.682 11.425 59 HA LEU 11 HA LEU 11 31.758 -6.537 13.196 60 HB2 LEU 11 HB2 LEU 11 33.540 -7.465 11.838 61 HB3 LEU 11 HB1 LEU 11 32.699 -7.006 10.358 62 HG LEU 11 HG LEU 11 32.884 -4.622 10.988 63 HD11 LEU 11 HD11 LEU 11 32.863 -4.761 13.391 64 HD12 LEU 11 HD12 LEU 11 34.418 -4.074 12.923 65 HD13 LEU 11 HD13 LEU 11 34.311 -5.769 13.400 66 HD21 LEU 11 HD21 LEU 11 34.660 -5.452 9.619 67 HD22 LEU 11 HD22 LEU 11 35.430 -6.254 10.989 68 HD23 LEU 11 HD23 LEU 11 35.424 -4.494 10.887 69 H VAL 12 HN VAL 12 30.281 -6.630 9.962 70 HA VAL 12 HA VAL 12 29.846 -3.879 9.701 71 HB VAL 12 HB VAL 12 28.499 -6.294 8.506 72 HG11 VAL 12 HG11 VAL 12 26.740 -4.633 8.547 73 HG12 VAL 12 HG12 VAL 12 27.437 -4.577 6.928 74 HG13 VAL 12 HG13 VAL 12 27.866 -3.347 8.117 75 HG21 VAL 12 HG21 VAL 12 30.199 -4.068 7.341 76 HG22 VAL 12 HG22 VAL 12 29.646 -5.513 6.497 77 HG23 VAL 12 HG23 VAL 12 30.809 -5.653 7.815 78 H ASP 13 HN ASP 13 27.749 -6.434 10.988 79 HA ASP 13 HA ASP 13 25.505 -4.825 11.535 80 HB2 ASP 13 HB2 ASP 13 26.501 -7.417 12.725 81 HB3 ASP 13 HB1 ASP 13 24.979 -6.672 13.215 82 H ALA 14 HN ALA 14 28.336 -5.684 13.494 83 HA ALA 14 HA ALA 14 27.487 -4.452 15.887 84 HB1 ALA 14 HB1 ALA 14 30.370 -4.608 15.050 85 HB2 ALA 14 HB2 ALA 14 29.469 -6.060 15.485 86 HB3 ALA 14 HB3 ALA 14 29.674 -4.762 16.664 87 H LEU 15 HN LEU 15 29.309 -3.230 13.103 88 HA LEU 15 HA LEU 15 29.972 -0.707 14.167 89 HB2 LEU 15 HB2 LEU 15 29.535 -1.664 11.332 90 HB3 LEU 15 HB1 LEU 15 30.091 -0.037 11.719 91 HG LEU 15 HG LEU 15 31.484 -2.511 12.761 92 HD11 LEU 15 HD11 LEU 15 32.324 -0.866 10.360 93 HD12 LEU 15 HD12 LEU 15 31.402 -2.361 10.207 94 HD13 LEU 15 HD13 LEU 15 33.013 -2.389 10.921 95 HD21 LEU 15 HD21 LEU 15 33.378 -0.818 12.902 96 HD22 LEU 15 HD22 LEU 15 32.028 -0.505 13.990 97 HD23 LEU 15 HD23 LEU 15 32.194 0.427 12.504 98 H GLN 16 HN GLN 16 27.143 -1.815 12.333 99 HA GLN 16 HA GLN 16 25.880 0.719 12.150 100 HB2 GLN 16 HB2 GLN 16 25.284 -1.252 10.749 101 HB3 GLN 16 HB1 GLN 16 24.580 -2.014 12.175 102 HG2 GLN 16 HG2 GLN 16 23.008 -0.150 12.424 103 HG3 GLN 16 HG1 GLN 16 23.732 0.663 11.039 104 HE21 GLN 16 HE21 GLN 16 21.105 0.240 10.656 105 HE22 GLN 16 HE22 GLN 16 20.810 -1.102 9.659 106 H PHE 17 HN PHE 17 25.703 -1.909 14.512 107 HA PHE 17 HA PHE 17 23.601 -0.907 16.082 108 HB2 PHE 17 HB2 PHE 17 24.333 -3.147 16.448 109 HB3 PHE 17 HB1 PHE 17 25.985 -2.624 16.776 110 HD1 PHE 17 HD1 PHE 17 22.504 -2.629 18.074 111 HD2 PHE 17 HD2 PHE 17 26.637 -1.762 18.919 112 HE1 PHE 17 HE1 PHE 17 21.956 -2.369 20.481 113 HE2 PHE 17 HE2 PHE 17 26.080 -1.513 21.330 114 HZ PHE 17 HZ PHE 17 23.744 -1.815 22.107 115 H VAL 18 HN VAL 18 27.112 -0.447 16.405 116 HA VAL 18 HA VAL 18 26.996 1.188 18.703 117 HB VAL 18 HB VAL 18 29.092 1.008 16.526 118 HG11 VAL 18 HG11 VAL 18 29.080 2.324 19.246 119 HG12 VAL 18 HG12 VAL 18 29.410 3.081 17.688 120 HG13 VAL 18 HG13 VAL 18 30.563 1.939 18.375 121 HG21 VAL 18 HG21 VAL 18 28.546 -1.080 17.857 122 HG22 VAL 18 HG22 VAL 18 29.050 -0.206 19.303 123 HG23 VAL 18 HG23 VAL 18 30.211 -0.523 18.013 124 H CYS 19 HN CYS 19 27.178 1.977 15.238 125 HA CYS 19 HA CYS 19 26.268 4.709 15.911 126 HB2 CYS 19 HB2 CYS 19 28.219 3.916 13.738 127 HB3 CYS 19 HB1 CYS 19 27.605 5.544 14.022 128 H GLY 20 HN GLY 20 24.176 3.456 15.561 129 HA2 GLY 20 HA2 GLY 20 23.438 2.599 12.955 130 HA3 GLY 20 HA1 GLY 20 22.327 2.998 14.260 131 H ASP 21 HN ASP 21 22.159 5.437 14.703 132 HA ASP 21 HA ASP 21 21.185 6.708 12.375 133 HB2 ASP 21 HB2 ASP 21 20.410 7.189 14.698 134 HB3 ASP 21 HB1 ASP 21 21.947 7.998 15.003 135 H ARG 22 HN ARG 22 24.147 7.210 14.279 136 HA ARG 22 HA ARG 22 25.169 9.343 12.731 137 HB2 ARG 22 HB2 ARG 22 26.538 7.295 14.485 138 HB3 ARG 22 HB1 ARG 22 27.378 8.657 13.742 139 HG2 ARG 22 HG2 ARG 22 25.902 10.232 14.878 140 HG3 ARG 22 HG1 ARG 22 24.969 8.903 15.564 141 HD2 ARG 22 HD2 ARG 22 26.544 9.720 17.232 142 HD3 ARG 22 HD1 ARG 22 27.019 8.104 16.722 143 HE ARG 22 HE ARG 22 28.343 10.064 15.144 144 HH11 ARG 22 HH11 ARG 22 28.287 8.634 18.323 145 HH12 ARG 22 HH12 ARG 22 29.962 8.933 18.621 146 HH21 ARG 22 HH21 ARG 22 30.540 10.445 15.559 147 HH22 ARG 22 HH22 ARG 22 31.233 9.952 17.068 148 H GLY 23 HN GLY 23 25.539 5.835 12.492 149 HA2 GLY 23 HA2 GLY 23 26.003 4.572 10.589 150 HA3 GLY 23 HA1 GLY 23 26.257 6.067 9.692 151 H PHE 24 HN PHE 24 28.022 4.178 9.133 152 HA PHE 24 HA PHE 24 30.491 5.204 10.312 153 HB2 PHE 24 HB2 PHE 24 31.383 2.989 10.774 154 HB3 PHE 24 HB1 PHE 24 29.873 3.201 11.661 155 HD1 PHE 24 HD1 PHE 24 31.585 1.383 8.998 156 HD2 PHE 24 HD2 PHE 24 27.776 2.139 10.835 157 HE1 PHE 24 HE1 PHE 24 30.635 -0.592 7.848 158 HE2 PHE 24 HE2 PHE 24 26.830 0.157 9.691 159 HZ PHE 24 HZ PHE 24 28.260 -1.209 8.197 160 H TYR 25 HN TYR 25 32.394 4.667 9.055 161 HA TYR 25 HA TYR 25 31.991 3.481 6.430 162 HB2 TYR 25 HB2 TYR 25 32.622 5.422 5.157 163 HB3 TYR 25 HB1 TYR 25 31.273 5.884 6.196 164 HD1 TYR 25 HD1 TYR 25 34.880 6.227 5.587 165 HD2 TYR 25 HD2 TYR 25 31.615 7.330 8.151 166 HE1 TYR 25 HE1 TYR 25 36.281 7.993 6.605 167 HE2 TYR 25 HE2 TYR 25 33.018 9.105 9.169 168 HH TYR 25 HH TYR 25 35.726 10.298 7.835 169 H PHE 26 HN PHE 26 34.056 3.371 5.205 170 HA PHE 26 HA PHE 26 36.341 3.201 7.075 171 HB2 PHE 26 HB2 PHE 26 35.802 1.672 4.515 172 HB3 PHE 26 HB1 PHE 26 37.245 1.500 5.516 173 HD1 PHE 26 HD1 PHE 26 33.660 0.778 5.221 174 HD2 PHE 26 HD2 PHE 26 37.106 0.519 7.774 175 HE1 PHE 26 HE1 PHE 26 32.463 -0.837 6.674 176 HE2 PHE 26 HE2 PHE 26 35.908 -1.096 9.226 177 HZ PHE 26 HZ PHE 26 33.586 -1.773 8.676 178 H ASN 27 HN ASN 27 35.193 4.491 4.050 179 HA ASN 27 HA ASN 27 37.235 6.453 3.939 180 HB2 ASN 27 HB2 ASN 27 38.426 4.283 3.177 181 HB3 ASN 27 HB1 ASN 27 37.489 4.459 1.697 182 HD21 ASN 27 HD21 ASN 27 39.186 5.116 0.286 183 HD22 ASN 27 HD22 ASN 27 40.075 6.546 0.510 184 H LYS 28 HN LYS 28 35.619 4.591 1.363 185 HA LYS 28 HA LYS 28 33.829 6.854 0.855 186 HB2 LYS 28 HB2 LYS 28 34.355 6.583 -1.630 187 HB3 LYS 28 HB1 LYS 28 35.583 7.384 -0.649 188 HG2 LYS 28 HG2 LYS 28 36.836 5.277 -0.463 189 HG3 LYS 28 HG1 LYS 28 35.600 4.445 -1.405 190 HD2 LYS 28 HD2 LYS 28 36.051 5.968 -3.309 191 HD3 LYS 28 HD1 LYS 28 37.328 6.741 -2.366 192 HE2 LYS 28 HE2 LYS 28 37.240 3.802 -3.102 193 HE3 LYS 28 HE1 LYS 28 38.239 5.017 -3.898 194 HZ1 LYS 28 HZ1 LYS 28 39.630 4.050 -2.321 195 HZ2 LYS 28 HZ2 LYS 28 38.423 4.008 -1.127 196 HZ3 LYS 28 HZ3 LYS 28 39.125 5.488 -1.578 197 HA PRO 29 HA PRO 29 31.850 2.602 0.807 198 HB2 PRO 29 HB2 PRO 29 29.669 4.356 1.850 199 HB3 PRO 29 HB1 PRO 29 30.190 2.751 2.401 200 HG2 PRO 29 HG2 PRO 29 30.797 4.919 3.791 201 HG3 PRO 29 HG1 PRO 29 31.962 3.593 3.617 202 HD2 PRO 29 HD2 PRO 29 31.924 6.263 2.252 203 HD3 PRO 29 HD1 PRO 29 33.311 5.300 2.813 204 H THR 30 HN THR 30 30.660 5.798 -0.183 205 HA THR 30 HA THR 30 29.298 4.515 -2.473 206 HB THR 30 HB THR 30 28.544 7.064 -1.025 207 HG1 THR 30 HG1 THR 30 27.144 5.865 -0.010 208 HG21 THR 30 HG21 THR 30 28.067 7.224 -3.405 209 HG22 THR 30 HG22 THR 30 26.558 6.977 -2.527 210 HG23 THR 30 HG23 THR 30 27.307 5.633 -3.389 211 H GLY 31 HN GLY 31 30.012 5.082 -4.441 212 HA2 GLY 31 HA2 GLY 31 30.559 7.321 -5.677 213 HA3 GLY 31 HA1 GLY 31 31.976 7.258 -4.633 214 H TYR 32 HN TYR 32 31.110 6.730 -7.669 215 HA TYR 32 HA TYR 32 32.059 4.130 -8.266 216 HB2 TYR 32 HB2 TYR 32 30.672 5.407 -9.840 217 HB3 TYR 32 HB1 TYR 32 31.959 6.599 -10.022 218 HD1 TYR 32 HD1 TYR 32 31.170 2.979 -10.472 219 HD2 TYR 32 HD2 TYR 32 33.730 6.253 -11.555 220 HE1 TYR 32 HE1 TYR 32 32.216 1.579 -12.231 221 HE2 TYR 32 HE2 TYR 32 34.776 4.852 -13.313 222 HH TYR 32 HH TYR 32 34.962 1.984 -13.509 223 H GLY 33 HN GLY 33 34.078 3.353 -8.569 224 HA2 GLY 33 HA2 GLY 33 36.323 5.020 -9.219 225 HA3 GLY 33 HA1 GLY 33 36.341 4.513 -7.533 226 H SER 34 HN SER 34 38.430 3.671 -8.877 227 HA SER 34 HA SER 34 37.846 0.941 -9.823 228 HB2 SER 34 HB2 SER 34 40.333 2.636 -10.141 229 HB3 SER 34 HB1 SER 34 40.145 0.990 -10.739 230 HG SER 34 HG SER 34 39.387 3.261 -11.880 231 H SER 35 HN SER 35 38.505 2.409 -6.989 232 HA SER 35 HA SER 35 40.709 0.967 -5.963 233 HB2 SER 35 HB2 SER 35 40.059 1.847 -3.863 234 HB3 SER 35 HB1 SER 35 39.605 3.074 -5.044 235 HG SER 35 HG SER 35 37.545 2.642 -4.719 236 H SER 36 HN SER 36 37.558 -0.022 -6.794 237 HA SER 36 HA SER 36 36.956 -1.901 -4.816 238 HB2 SER 36 HB2 SER 36 35.507 -2.927 -6.492 239 HB3 SER 36 HB1 SER 36 35.398 -1.174 -6.613 240 HG SER 36 HG SER 36 36.749 -3.012 -8.274 241 H ARG 37 HN ARG 37 39.224 -1.988 -7.446 242 HA ARG 37 HA ARG 37 39.616 -4.819 -7.492 243 HB2 ARG 37 HB2 ARG 37 41.504 -4.375 -8.894 244 HB3 ARG 37 HB1 ARG 37 40.282 -3.176 -9.317 245 HG2 ARG 37 HG2 ARG 37 41.404 -1.582 -7.722 246 HG3 ARG 37 HG1 ARG 37 42.689 -2.766 -7.526 247 HD2 ARG 37 HD2 ARG 37 43.112 -2.708 -9.953 248 HD3 ARG 37 HD1 ARG 37 41.846 -1.498 -10.141 249 HE ARG 37 HE ARG 37 43.723 -0.595 -8.227 250 HH11 ARG 37 HH11 ARG 37 43.388 -1.228 -11.638 251 HH12 ARG 37 HH12 ARG 37 44.548 -0.032 -12.097 252 HH21 ARG 37 HH21 ARG 37 45.238 0.969 -8.854 253 HH22 ARG 37 HH22 ARG 37 45.590 1.205 -10.534 254 H ARG 38 HN ARG 38 40.979 -2.159 -5.646 255 HA ARG 38 HA ARG 38 43.168 -3.589 -4.527 256 HB2 ARG 38 HB2 ARG 38 43.085 -1.134 -4.548 257 HB3 ARG 38 HB1 ARG 38 41.696 -1.168 -3.459 258 HG2 ARG 38 HG2 ARG 38 43.020 -2.228 -1.720 259 HG3 ARG 38 HG1 ARG 38 44.398 -2.380 -2.812 260 HD2 ARG 38 HD2 ARG 38 44.716 -0.449 -1.351 261 HD3 ARG 38 HD1 ARG 38 44.491 0.086 -3.012 262 HE ARG 38 HE ARG 38 42.005 0.018 -1.605 263 HH11 ARG 38 HH11 ARG 38 44.961 1.822 -2.008 264 HH12 ARG 38 HH12 ARG 38 44.245 3.331 -1.566 265 HH21 ARG 38 HH21 ARG 38 41.089 2.010 -1.027 266 HH22 ARG 38 HH22 ARG 38 42.066 3.440 -1.013 267 H ALA 39 HN ALA 39 39.855 -2.962 -3.467 268 HA ALA 39 HA ALA 39 38.601 -3.840 -1.746 269 HB1 ALA 39 HB1 ALA 39 38.654 -5.843 -3.046 270 HB2 ALA 39 HB2 ALA 39 38.986 -6.320 -1.380 271 HB3 ALA 39 HB3 ALA 39 40.307 -6.204 -2.543 272 HA PRO 40 HA PRO 40 42.148 -3.285 1.266 273 HB2 PRO 40 HB2 PRO 40 41.290 -0.918 2.331 274 HB3 PRO 40 HB1 PRO 40 42.340 -1.018 0.906 275 HG2 PRO 40 HG2 PRO 40 39.408 -0.540 1.068 276 HG3 PRO 40 HG1 PRO 40 40.614 0.186 -0.006 277 HD2 PRO 40 HD2 PRO 40 38.923 -1.830 -0.791 278 HD3 PRO 40 HD1 PRO 40 40.526 -1.562 -1.510 279 H GLN 41 HN GLN 41 40.623 -5.185 1.928 280 HA GLN 41 HA GLN 41 38.730 -4.461 4.037 281 HB2 GLN 41 HB2 GLN 41 38.131 -6.817 4.045 282 HB3 GLN 41 HB1 GLN 41 38.141 -6.222 2.384 283 HG2 GLN 41 HG2 GLN 41 40.447 -7.114 2.107 284 HG3 GLN 41 HG1 GLN 41 40.365 -7.774 3.739 285 HE21 GLN 41 HE21 GLN 41 40.651 -9.936 2.617 286 HE22 GLN 41 HE22 GLN 41 39.282 -10.690 1.955 287 H THR 42 HN THR 42 41.585 -3.958 4.406 288 HA THR 42 HA THR 42 42.033 -5.690 6.761 289 HB THR 42 HB THR 42 44.442 -5.565 6.333 290 HG1 THR 42 HG1 THR 42 43.695 -4.262 3.932 291 HG21 THR 42 HG21 THR 42 44.517 -7.054 4.439 292 HG22 THR 42 HG22 THR 42 42.993 -6.421 3.819 293 HG23 THR 42 HG23 THR 42 43.012 -7.373 5.303 294 H GLY 43 HN GLY 43 43.388 -4.672 8.432 295 HA2 GLY 43 HA2 GLY 43 44.381 -2.671 9.370 296 HA3 GLY 43 HA1 GLY 43 43.257 -1.720 8.402 297 H ILE 44 HN ILE 44 41.351 -1.107 9.308 298 HA ILE 44 HA ILE 44 40.900 -1.404 12.063 299 HB ILE 44 HB ILE 44 39.086 -0.549 9.804 300 HG12 ILE 44 HG12 ILE 44 40.384 1.076 12.004 301 HG13 ILE 44 HG11 ILE 44 41.138 0.825 10.430 302 HG21 ILE 44 HG21 ILE 44 37.686 0.409 11.653 303 HG22 ILE 44 HG22 ILE 44 38.652 -0.529 12.793 304 HG23 ILE 44 HG23 ILE 44 37.671 -1.351 11.579 305 HD11 ILE 44 HD11 ILE 44 38.380 2.015 10.844 306 HD12 ILE 44 HD12 ILE 44 39.229 1.850 9.307 307 HD13 ILE 44 HD13 ILE 44 39.840 2.954 10.538 308 H VAL 45 HN VAL 45 39.430 -3.010 9.257 309 HA VAL 45 HA VAL 45 37.551 -4.559 10.667 310 HB VAL 45 HB VAL 45 38.941 -4.991 8.023 311 HG11 VAL 45 HG11 VAL 45 37.077 -6.689 7.665 312 HG12 VAL 45 HG12 VAL 45 36.790 -6.623 9.404 313 HG13 VAL 45 HG13 VAL 45 38.342 -7.196 8.788 314 HG21 VAL 45 HG21 VAL 45 37.419 -3.124 8.000 315 HG22 VAL 45 HG22 VAL 45 36.203 -4.029 8.901 316 HG23 VAL 45 HG23 VAL 45 36.575 -4.470 7.235 317 H ASP 46 HN ASP 46 40.872 -5.288 9.649 318 HA ASP 46 HA ASP 46 40.923 -7.934 10.647 319 HB2 ASP 46 HB2 ASP 46 43.117 -5.944 10.084 320 HB3 ASP 46 HB1 ASP 46 43.427 -7.600 10.599 321 H GLU 47 HN GLU 47 41.754 -4.811 12.130 322 HA GLU 47 HA GLU 47 42.981 -5.815 14.444 323 HB2 GLU 47 HB2 GLU 47 43.036 -3.446 13.806 324 HB3 GLU 47 HB1 GLU 47 41.301 -3.318 14.094 325 HG2 GLU 47 HG2 GLU 47 42.551 -2.469 16.025 326 HG3 GLU 47 HG1 GLU 47 41.662 -3.923 16.471 327 H CYS 48 HN CYS 48 39.571 -4.856 13.949 328 HA CYS 48 HA CYS 48 38.723 -5.769 16.528 329 HB2 CYS 48 HB2 CYS 48 37.147 -5.120 14.030 330 HB3 CYS 48 HB1 CYS 48 36.447 -5.492 15.597 331 H CYS 49 HN CYS 49 38.638 -7.143 13.269 332 HA CYS 49 HA CYS 49 37.086 -9.403 13.824 333 HB2 CYS 49 HB2 CYS 49 37.611 -8.686 11.529 334 HB3 CYS 49 HB1 CYS 49 39.307 -9.088 11.788 335 H PHE 50 HN PHE 50 40.617 -8.990 13.865 336 HA PHE 50 HA PHE 50 40.994 -11.680 14.857 337 HB2 PHE 50 HB2 PHE 50 42.831 -9.397 14.173 338 HB3 PHE 50 HB1 PHE 50 43.438 -10.840 14.992 339 HD1 PHE 50 HD1 PHE 50 41.587 -9.639 11.992 340 HD2 PHE 50 HD2 PHE 50 43.844 -12.837 13.758 341 HE1 PHE 50 HE1 PHE 50 41.655 -10.782 9.797 342 HE2 PHE 50 HE2 PHE 50 43.917 -13.995 11.565 343 HZ PHE 50 HZ PHE 50 42.824 -12.970 9.584 344 H ARG 51 HN ARG 51 42.322 -8.595 16.065 345 HA ARG 51 HA ARG 51 42.305 -9.585 18.779 346 HB2 ARG 51 HB2 ARG 51 43.175 -6.993 17.516 347 HB3 ARG 51 HB1 ARG 51 43.176 -7.236 19.264 348 HG2 ARG 51 HG2 ARG 51 44.563 -9.315 18.885 349 HG3 ARG 51 HG1 ARG 51 44.704 -8.836 17.193 350 HD2 ARG 51 HD2 ARG 51 45.483 -7.039 19.496 351 HD3 ARG 51 HD1 ARG 51 46.622 -8.103 18.677 352 HE ARG 51 HE ARG 51 45.367 -6.583 16.704 353 HH11 ARG 51 HH11 ARG 51 47.391 -6.095 19.502 354 HH12 ARG 51 HH12 ARG 51 48.143 -4.676 18.863 355 HH21 ARG 51 HH21 ARG 51 46.380 -4.724 15.886 356 HH22 ARG 51 HH22 ARG 51 47.573 -3.901 16.832 357 H SER 52 HN SER 52 41.364 -8.274 20.561 358 HA SER 52 HA SER 52 38.615 -7.558 19.887 359 HB2 SER 52 HB2 SER 52 38.931 -8.997 21.810 360 HB3 SER 52 HB1 SER 52 40.056 -7.852 22.532 361 HG SER 52 HG SER 52 37.434 -7.929 22.779 362 H CYS 53 HN CYS 53 38.753 -5.556 18.885 363 HA CYS 53 HA CYS 53 40.269 -3.384 20.013 364 HB2 CYS 53 HB2 CYS 53 39.243 -2.047 18.245 365 HB3 CYS 53 HB1 CYS 53 39.818 -3.573 17.585 366 H ASP 54 HN ASP 54 39.488 -1.555 21.071 367 HA ASP 54 HA ASP 54 37.324 -1.975 22.865 368 HB2 ASP 54 HB2 ASP 54 38.956 0.463 22.155 369 HB3 ASP 54 HB1 ASP 54 37.685 0.490 23.378 370 H LEU 55 HN LEU 55 35.245 -1.232 22.857 371 HA LEU 55 HA LEU 55 33.986 -0.731 20.371 372 HB2 LEU 55 HB2 LEU 55 33.052 -0.389 23.227 373 HB3 LEU 55 HB1 LEU 55 32.004 -0.134 21.832 374 HG LEU 55 HG LEU 55 33.554 -2.698 22.270 375 HD11 LEU 55 HD11 LEU 55 30.652 -2.126 22.949 376 HD12 LEU 55 HD12 LEU 55 31.946 -2.268 24.138 377 HD13 LEU 55 HD13 LEU 55 31.495 -3.660 23.155 378 HD21 LEU 55 HD21 LEU 55 31.653 -3.504 20.721 379 HD22 LEU 55 HD22 LEU 55 32.885 -2.478 19.990 380 HD23 LEU 55 HD23 LEU 55 31.320 -1.796 20.432 381 H ARG 56 HN ARG 56 35.017 1.404 23.009 382 HA ARG 56 HA ARG 56 33.835 3.775 22.088 383 HB2 ARG 56 HB2 ARG 56 34.839 3.554 24.321 384 HB3 ARG 56 HB1 ARG 56 36.439 3.415 23.590 385 HG2 ARG 56 HG2 ARG 56 36.269 5.655 22.664 386 HG3 ARG 56 HG1 ARG 56 34.604 5.801 23.229 387 HD2 ARG 56 HD2 ARG 56 36.977 5.356 25.052 388 HD3 ARG 56 HD1 ARG 56 36.280 6.935 24.715 389 HE ARG 56 HE ARG 56 34.187 5.306 25.569 390 HH11 ARG 56 HH11 ARG 56 37.211 6.531 26.798 391 HH12 ARG 56 HH12 ARG 56 36.677 6.549 28.442 392 HH21 ARG 56 HH21 ARG 56 33.511 5.340 27.733 393 HH22 ARG 56 HH22 ARG 56 34.595 5.879 28.971 394 H ARG 57 HN ARG 57 37.115 2.465 21.471 395 HA ARG 57 HA ARG 57 37.990 4.531 19.795 396 HB2 ARG 57 HB2 ARG 57 39.366 2.695 20.881 397 HB3 ARG 57 HB1 ARG 57 38.816 1.648 19.571 398 HG2 ARG 57 HG2 ARG 57 39.782 3.089 17.909 399 HG3 ARG 57 HG1 ARG 57 40.135 4.326 19.118 400 HD2 ARG 57 HD2 ARG 57 42.186 3.124 18.694 401 HD3 ARG 57 HD1 ARG 57 41.598 2.662 20.288 402 HE ARG 57 HE ARG 57 41.128 0.535 19.476 403 HH11 ARG 57 HH11 ARG 57 41.947 2.699 16.859 404 HH12 ARG 57 HH12 ARG 57 42.105 1.429 15.700 405 HH21 ARG 57 HH21 ARG 57 41.369 -1.111 17.924 406 HH22 ARG 57 HH22 ARG 57 41.776 -0.705 16.290 407 H LEU 58 HN LEU 58 36.153 1.590 19.184 408 HA LEU 58 HA LEU 58 36.263 1.564 16.383 409 HB2 LEU 58 HB2 LEU 58 35.325 -0.244 17.887 410 HB3 LEU 58 HB1 LEU 58 33.870 0.742 18.035 411 HG LEU 58 HG LEU 58 33.783 0.762 15.482 412 HD11 LEU 58 HD11 LEU 58 36.023 0.097 14.947 413 HD12 LEU 58 HD12 LEU 58 34.985 -1.235 14.460 414 HD13 LEU 58 HD13 LEU 58 35.908 -1.334 15.961 415 HD21 LEU 58 HD21 LEU 58 33.464 -1.769 17.104 416 HD22 LEU 58 HD22 LEU 58 32.985 -1.682 15.409 417 HD23 LEU 58 HD23 LEU 58 32.214 -0.632 16.598 418 H ASP 59 HN ASP 59 34.230 3.380 18.615 419 HA ASP 59 HA ASP 59 32.301 4.335 16.816 420 HB2 ASP 59 HB2 ASP 59 32.275 4.571 19.327 421 HB3 ASP 59 HB1 ASP 59 33.444 5.876 19.149 422 H MET 60 HN MET 60 35.652 5.045 17.046 423 HA MET 60 HA MET 60 35.749 7.687 16.110 424 HB2 MET 60 HB2 MET 60 37.666 5.381 15.765 425 HB3 MET 60 HB1 MET 60 38.024 7.033 15.274 426 HG2 MET 60 HG2 MET 60 37.154 6.311 18.082 427 HG3 MET 60 HG1 MET 60 38.848 6.409 17.597 428 HE1 MET 60 HE1 MET 60 40.164 8.986 17.485 429 HE2 MET 60 HE2 MET 60 39.281 9.888 16.256 430 HE3 MET 60 HE3 MET 60 39.578 8.165 16.032 431 H TYR 61 HN TYR 61 35.450 4.607 14.404 432 HA TYR 61 HA TYR 61 35.681 5.835 11.795 433 HB2 TYR 61 HB2 TYR 61 34.575 3.087 12.277 434 HB3 TYR 61 HB1 TYR 61 35.541 3.684 10.929 435 HD1 TYR 61 HD1 TYR 61 35.804 1.460 13.438 436 HD2 TYR 61 HD2 TYR 61 37.780 5.039 12.105 437 HE1 TYR 61 HE1 TYR 61 37.882 0.740 14.581 438 HE2 TYR 61 HE2 TYR 61 39.856 4.325 13.262 439 HH TYR 61 HH TYR 61 39.917 1.745 15.501 440 H CYS 62 HN CYS 62 33.495 6.779 13.623 441 HA CYS 62 HA CYS 62 31.139 6.014 12.050 442 HB2 CYS 62 HB2 CYS 62 31.374 7.314 14.765 443 HB3 CYS 62 HB1 CYS 62 29.853 7.020 13.927 444 H ALA 63 HN ALA 63 29.838 7.612 11.131 445 HA ALA 63 HA ALA 63 31.160 9.859 10.128 446 HB1 ALA 63 HB1 ALA 63 28.170 9.747 10.250 447 HB2 ALA 63 HB2 ALA 63 29.040 8.572 9.263 448 HB3 ALA 63 HB3 ALA 63 29.213 10.297 8.940 449 HA PRO 64 HA PRO 64 30.554 12.796 13.387 450 HB2 PRO 64 HB2 PRO 64 30.614 15.127 11.972 451 HB3 PRO 64 HB1 PRO 64 32.056 14.137 12.267 452 HG2 PRO 64 HG2 PRO 64 30.364 14.340 9.829 453 HG3 PRO 64 HG1 PRO 64 32.121 14.180 9.977 454 HD2 PRO 64 HD2 PRO 64 30.453 12.075 9.369 455 HD3 PRO 64 HD1 PRO 64 32.029 11.876 10.162 456 H LEU 65 HN LEU 65 29.040 14.278 14.303 457 HA LEU 65 HA LEU 65 26.324 13.851 13.438 458 HB2 LEU 65 HB2 LEU 65 27.506 15.522 15.665 459 HB3 LEU 65 HB1 LEU 65 25.776 15.307 15.396 460 HG LEU 65 HG LEU 65 27.687 12.987 15.764 461 HD11 LEU 65 HD11 LEU 65 27.752 14.186 17.834 462 HD12 LEU 65 HD12 LEU 65 26.590 12.881 18.067 463 HD13 LEU 65 HD13 LEU 65 26.022 14.524 17.771 464 HD21 LEU 65 HD21 LEU 65 25.458 11.880 16.371 465 HD22 LEU 65 HD22 LEU 65 25.667 12.302 14.672 466 HD23 LEU 65 HD23 LEU 65 24.676 13.318 15.718 467 H LYS 66 HN LYS 66 24.885 15.346 12.627 468 HA LYS 66 HA LYS 66 26.010 17.384 10.991 469 HB2 LYS 66 HB2 LYS 66 23.144 16.721 11.679 470 HB3 LYS 66 HB1 LYS 66 23.612 17.952 10.507 471 HG2 LYS 66 HG2 LYS 66 24.850 16.250 9.215 472 HG3 LYS 66 HG1 LYS 66 24.362 15.017 10.380 473 HD2 LYS 66 HD2 LYS 66 21.993 15.459 9.857 474 HD3 LYS 66 HD1 LYS 66 22.480 16.685 8.687 475 HE2 LYS 66 HE2 LYS 66 23.709 14.970 7.400 476 HE3 LYS 66 HE1 LYS 66 23.210 13.744 8.566 477 HZ1 LYS 66 HZ1 LYS 66 21.201 15.420 7.211 478 HZ2 LYS 66 HZ2 LYS 66 21.019 13.882 7.908 479 HZ3 LYS 66 HZ3 LYS 66 21.842 14.056 6.432 480 HA PRO 67 HA PRO 67 26.017 20.988 13.523 481 HB2 PRO 67 HB2 PRO 67 24.280 22.335 11.504 482 HB3 PRO 67 HB1 PRO 67 25.867 22.822 12.131 483 HG2 PRO 67 HG2 PRO 67 25.619 21.817 9.694 484 HG3 PRO 67 HG1 PRO 67 27.009 21.405 10.716 485 HD2 PRO 67 HD2 PRO 67 24.595 19.757 10.062 486 HD3 PRO 67 HD1 PRO 67 26.288 19.258 10.270 487 H ALA 68 HN ALA 68 24.814 21.863 15.173 488 HA ALA 68 HA ALA 68 21.898 21.877 15.027 489 HB1 ALA 68 HB1 ALA 68 21.496 20.413 16.794 490 HB2 ALA 68 HB2 ALA 68 23.144 20.541 17.409 491 HB3 ALA 68 HB3 ALA 68 22.817 19.607 15.949 492 H LYS 69 HN LYS 69 20.923 23.209 16.613 493 HA LYS 69 HA LYS 69 22.624 24.641 18.490 494 HB2 LYS 69 HB2 LYS 69 22.078 26.849 17.613 495 HB3 LYS 69 HB1 LYS 69 22.886 25.898 16.366 496 HG2 LYS 69 HG2 LYS 69 20.689 25.313 15.392 497 HG3 LYS 69 HG1 LYS 69 19.889 26.293 16.622 498 HD2 LYS 69 HD2 LYS 69 21.139 28.285 15.816 499 HD3 LYS 69 HD1 LYS 69 21.855 27.295 14.543 500 HE2 LYS 69 HE2 LYS 69 18.879 27.744 14.931 501 HE3 LYS 69 HE1 LYS 69 19.878 28.560 13.727 502 HZ1 LYS 69 HZ1 LYS 69 20.487 26.290 12.910 503 HZ2 LYS 69 HZ2 LYS 69 18.867 26.734 12.657 504 HZ3 LYS 69 HZ3 LYS 69 19.271 25.665 13.914 505 H SER 70 HN SER 70 21.388 25.990 19.963 506 HA SER 70 HA SER 70 18.484 25.681 19.920 507 HB2 SER 70 HB2 SER 70 19.223 23.665 21.092 508 HB3 SER 70 HB1 SER 70 20.193 24.642 22.192 509 HG SER 70 HG SER 70 17.874 23.954 22.732 510 H ALA 71 HN ALA 71 17.406 27.242 21.111 511 HA ALA 71 HA ALA 71 19.006 29.565 21.831 512 HB1 ALA 71 HB1 ALA 71 16.992 29.946 20.535 513 HB2 ALA 71 HB2 ALA 71 16.782 30.651 22.137 514 HB3 ALA 71 HB3 ALA 71 16.014 29.113 21.744 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 34.361 -12.531 21.533 2 H2 GLY 1 HT2 GLY 1 33.502 -12.903 22.950 3 H3 GLY 1 HT3 GLY 1 34.765 -13.912 22.431 4 HA2 GLY 1 HA2 GLY 1 35.279 -11.079 23.059 5 HA3 GLY 1 HA1 GLY 1 35.222 -12.287 24.342 6 H GLY 2 HN GLY 2 37.522 -10.743 23.429 7 HA2 GLY 2 HA2 GLY 2 39.793 -11.235 23.349 8 HA3 GLY 2 HA1 GLY 2 39.388 -12.936 23.141 9 HA PRO 3 HA PRO 3 40.969 -11.181 19.109 10 HB2 PRO 3 HB2 PRO 3 42.548 -13.684 19.148 11 HB3 PRO 3 HB1 PRO 3 43.087 -12.018 18.873 12 HG2 PRO 3 HG2 PRO 3 43.657 -13.320 21.132 13 HG3 PRO 3 HG1 PRO 3 43.319 -11.579 21.114 14 HD2 PRO 3 HD2 PRO 3 41.508 -13.840 21.906 15 HD3 PRO 3 HD1 PRO 3 41.729 -12.252 22.681 16 H GLU 4 HN GLU 4 40.772 -12.171 16.952 17 HA GLU 4 HA GLU 4 39.637 -13.384 15.356 18 HB2 GLU 4 HB2 GLU 4 39.648 -15.530 17.494 19 HB3 GLU 4 HB1 GLU 4 39.272 -15.772 15.791 20 HG2 GLU 4 HG2 GLU 4 41.526 -14.967 15.178 21 HG3 GLU 4 HG1 GLU 4 41.905 -14.748 16.886 22 H THR 5 HN THR 5 38.132 -11.574 16.720 23 HA THR 5 HA THR 5 35.526 -12.963 16.914 24 HB THR 5 HB THR 5 34.866 -11.394 18.704 25 HG1 THR 5 HG1 THR 5 37.593 -10.636 18.545 26 HG21 THR 5 HG21 THR 5 35.660 -13.531 19.434 27 HG22 THR 5 HG22 THR 5 36.438 -12.331 20.466 28 HG23 THR 5 HG23 THR 5 37.340 -13.077 19.148 29 H LEU 6 HN LEU 6 33.672 -11.604 16.424 30 HA LEU 6 HA LEU 6 32.579 -10.253 14.909 31 HB2 LEU 6 HB2 LEU 6 34.682 -8.272 15.823 32 HB3 LEU 6 HB1 LEU 6 33.126 -7.880 15.090 33 HG LEU 6 HG LEU 6 33.488 -9.373 17.705 34 HD11 LEU 6 HD11 LEU 6 32.532 -6.541 17.182 35 HD12 LEU 6 HD12 LEU 6 34.126 -6.965 17.809 36 HD13 LEU 6 HD13 LEU 6 32.682 -7.319 18.759 37 HD21 LEU 6 HD21 LEU 6 31.438 -10.059 16.668 38 HD22 LEU 6 HD22 LEU 6 31.069 -8.414 16.156 39 HD23 LEU 6 HD23 LEU 6 30.993 -8.843 17.864 40 H CYS 7 HN CYS 7 33.692 -11.792 13.301 41 HA CYS 7 HA CYS 7 35.262 -10.140 11.414 42 HB2 CYS 7 HB2 CYS 7 36.426 -12.132 12.749 43 HB3 CYS 7 HB1 CYS 7 35.679 -13.094 11.479 44 H GLY 8 HN GLY 8 33.262 -9.664 10.352 45 HA2 GLY 8 HA2 GLY 8 32.616 -10.743 8.049 46 HA3 GLY 8 HA1 GLY 8 31.849 -11.918 9.112 47 H ALA 9 HN ALA 9 29.733 -11.517 8.715 48 HA ALA 9 HA ALA 9 28.556 -9.001 8.306 49 HB1 ALA 9 HB1 ALA 9 27.115 -10.655 7.647 50 HB2 ALA 9 HB2 ALA 9 26.463 -10.371 9.263 51 HB3 ALA 9 HB3 ALA 9 27.562 -11.724 8.977 52 H GLU 10 HN GLU 10 29.205 -10.830 11.247 53 HA GLU 10 HA GLU 10 27.628 -9.356 13.037 54 HB2 GLU 10 HB2 GLU 10 30.237 -10.836 13.417 55 HB3 GLU 10 HB1 GLU 10 29.321 -10.138 14.752 56 HG2 GLU 10 HG2 GLU 10 27.401 -11.520 14.244 57 HG3 GLU 10 HG1 GLU 10 28.159 -12.107 12.765 58 H LEU 11 HN LEU 11 30.956 -8.825 11.910 59 HA LEU 11 HA LEU 11 31.524 -6.625 13.588 60 HB2 LEU 11 HB2 LEU 11 33.283 -7.815 12.402 61 HB3 LEU 11 HB1 LEU 11 32.610 -7.322 10.850 62 HG LEU 11 HG LEU 11 32.995 -4.945 11.458 63 HD11 LEU 11 HD11 LEU 11 34.134 -6.209 13.960 64 HD12 LEU 11 HD12 LEU 11 32.849 -5.005 13.848 65 HD13 LEU 11 HD13 LEU 11 34.512 -4.558 13.467 66 HD21 LEU 11 HD21 LEU 11 35.322 -4.951 11.046 67 HD22 LEU 11 HD22 LEU 11 34.746 -6.451 10.318 68 HD23 LEU 11 HD23 LEU 11 35.559 -6.484 11.885 69 H VAL 12 HN VAL 12 30.298 -6.785 10.248 70 HA VAL 12 HA VAL 12 30.119 -4.027 9.812 71 HB VAL 12 HB VAL 12 28.666 -6.393 8.645 72 HG11 VAL 12 HG11 VAL 12 27.865 -4.691 6.901 73 HG12 VAL 12 HG12 VAL 12 28.313 -3.431 8.049 74 HG13 VAL 12 HG13 VAL 12 27.054 -4.593 8.463 75 HG21 VAL 12 HG21 VAL 12 30.697 -4.405 7.581 76 HG22 VAL 12 HG22 VAL 12 29.989 -5.731 6.655 77 HG23 VAL 12 HG23 VAL 12 31.018 -6.076 8.045 78 H ASP 13 HN ASP 13 27.735 -6.342 11.052 79 HA ASP 13 HA ASP 13 25.592 -4.536 11.350 80 HB2 ASP 13 HB2 ASP 13 26.252 -7.150 12.714 81 HB3 ASP 13 HB1 ASP 13 24.766 -6.254 13.032 82 H ALA 14 HN ALA 14 28.234 -5.480 13.505 83 HA ALA 14 HA ALA 14 27.326 -4.178 15.830 84 HB1 ALA 14 HB1 ALA 14 29.325 -5.825 15.454 85 HB2 ALA 14 HB2 ALA 14 29.430 -4.595 16.715 86 HB3 ALA 14 HB3 ALA 14 30.244 -4.347 15.169 87 H LEU 15 HN LEU 15 29.275 -3.040 13.097 88 HA LEU 15 HA LEU 15 29.941 -0.507 14.142 89 HB2 LEU 15 HB2 LEU 15 29.624 -1.540 11.323 90 HB3 LEU 15 HB1 LEU 15 30.137 0.113 11.668 91 HG LEU 15 HG LEU 15 31.527 -2.273 12.899 92 HD11 LEU 15 HD11 LEU 15 31.598 -2.454 10.412 93 HD12 LEU 15 HD12 LEU 15 33.186 -2.111 11.101 94 HD13 LEU 15 HD13 LEU 15 32.262 -0.821 10.334 95 HD21 LEU 15 HD21 LEU 15 31.953 -0.109 13.952 96 HD22 LEU 15 HD22 LEU 15 32.276 0.626 12.384 97 HD23 LEU 15 HD23 LEU 15 33.382 -0.582 13.036 98 H GLN 16 HN GLN 16 27.171 -1.598 12.209 99 HA GLN 16 HA GLN 16 25.961 0.962 11.960 100 HB2 GLN 16 HB2 GLN 16 25.412 -0.979 10.509 101 HB3 GLN 16 HB1 GLN 16 24.641 -1.759 11.890 102 HG2 GLN 16 HG2 GLN 16 23.080 0.135 12.099 103 HG3 GLN 16 HG1 GLN 16 23.856 0.925 10.728 104 HE21 GLN 16 HE21 GLN 16 22.591 0.668 8.887 105 HE22 GLN 16 HE22 GLN 16 21.741 -0.743 8.479 106 H PHE 17 HN PHE 17 25.609 -1.682 14.290 107 HA PHE 17 HA PHE 17 23.447 -0.636 15.752 108 HB2 PHE 17 HB2 PHE 17 24.090 -2.905 16.129 109 HB3 PHE 17 HB1 PHE 17 25.738 -2.442 16.552 110 HD1 PHE 17 HD1 PHE 17 22.206 -2.432 17.676 111 HD2 PHE 17 HD2 PHE 17 26.288 -1.544 18.728 112 HE1 PHE 17 HE1 PHE 17 21.540 -2.183 20.053 113 HE2 PHE 17 HE2 PHE 17 25.611 -1.305 21.107 114 HZ PHE 17 HZ PHE 17 23.243 -1.623 21.768 115 H VAL 18 HN VAL 18 26.956 -0.319 16.292 116 HA VAL 18 HA VAL 18 26.773 1.295 18.591 117 HB VAL 18 HB VAL 18 28.955 1.075 16.506 118 HG11 VAL 18 HG11 VAL 18 29.214 3.177 17.690 119 HG12 VAL 18 HG12 VAL 18 30.392 2.032 18.325 120 HG13 VAL 18 HG13 VAL 18 28.923 2.380 19.236 121 HG21 VAL 18 HG21 VAL 18 29.964 -0.488 18.009 122 HG22 VAL 18 HG22 VAL 18 28.272 -0.970 17.883 123 HG23 VAL 18 HG23 VAL 18 28.833 -0.085 19.300 124 H CYS 19 HN CYS 19 27.141 2.163 15.162 125 HA CYS 19 HA CYS 19 26.360 4.926 15.874 126 HB2 CYS 19 HB2 CYS 19 28.185 4.013 13.638 127 HB3 CYS 19 HB1 CYS 19 27.711 5.680 13.964 128 H GLY 20 HN GLY 20 24.212 3.605 15.550 129 HA2 GLY 20 HA2 GLY 20 23.378 2.953 12.924 130 HA3 GLY 20 HA1 GLY 20 22.315 3.268 14.291 131 H ASP 21 HN ASP 21 23.010 5.892 14.873 132 HA ASP 21 HA ASP 21 21.572 7.280 12.792 133 HB2 ASP 21 HB2 ASP 21 21.861 9.251 14.334 134 HB3 ASP 21 HB1 ASP 21 21.039 7.868 15.050 135 H ARG 22 HN ARG 22 24.791 7.633 14.285 136 HA ARG 22 HA ARG 22 25.686 9.665 12.536 137 HB2 ARG 22 HB2 ARG 22 27.165 7.665 14.249 138 HB3 ARG 22 HB1 ARG 22 27.977 8.935 13.331 139 HG2 ARG 22 HG2 ARG 22 26.781 10.656 14.535 140 HG3 ARG 22 HG1 ARG 22 25.768 9.454 15.335 141 HD2 ARG 22 HD2 ARG 22 28.775 9.570 15.622 142 HD3 ARG 22 HD1 ARG 22 27.656 10.320 16.756 143 HE ARG 22 HE ARG 22 26.917 7.624 16.454 144 HH11 ARG 22 HH11 ARG 22 29.534 9.574 17.677 145 HH12 ARG 22 HH12 ARG 22 29.996 8.417 18.876 146 HH21 ARG 22 HH21 ARG 22 27.545 6.119 18.032 147 HH22 ARG 22 HH22 ARG 22 28.881 6.470 19.078 148 H GLY 23 HN GLY 23 25.928 6.143 12.431 149 HA2 GLY 23 HA2 GLY 23 26.204 4.751 10.596 150 HA3 GLY 23 HA1 GLY 23 26.277 6.181 9.569 151 H PHE 24 HN PHE 24 28.015 4.547 8.709 152 HA PHE 24 HA PHE 24 30.589 5.607 9.563 153 HB2 PHE 24 HB2 PHE 24 31.607 3.392 9.838 154 HB3 PHE 24 HB1 PHE 24 30.299 3.619 10.998 155 HD1 PHE 24 HD1 PHE 24 31.489 1.724 8.123 156 HD2 PHE 24 HD2 PHE 24 28.068 2.567 10.578 157 HE1 PHE 24 HE1 PHE 24 30.349 -0.281 7.225 158 HE2 PHE 24 HE2 PHE 24 26.930 0.556 9.683 159 HZ PHE 24 HZ PHE 24 28.070 -0.869 8.007 160 H TYR 25 HN TYR 25 32.301 5.100 8.045 161 HA TYR 25 HA TYR 25 31.239 4.725 5.326 162 HB2 TYR 25 HB2 TYR 25 33.472 5.671 4.638 163 HB3 TYR 25 HB1 TYR 25 32.454 6.778 5.556 164 HD1 TYR 25 HD1 TYR 25 35.277 4.362 5.874 165 HD2 TYR 25 HD2 TYR 25 33.169 7.665 7.629 166 HE1 TYR 25 HE1 TYR 25 37.054 4.585 7.586 167 HE2 TYR 25 HE2 TYR 25 34.947 7.891 9.343 168 HH TYR 25 HH TYR 25 37.194 7.310 9.746 169 H PHE 26 HN PHE 26 32.884 3.034 7.742 170 HA PHE 26 HA PHE 26 33.954 1.027 7.787 171 HB2 PHE 26 HB2 PHE 26 32.074 0.239 6.440 172 HB3 PHE 26 HB1 PHE 26 32.861 0.801 4.971 173 HD1 PHE 26 HD1 PHE 26 33.395 -1.445 7.900 174 HD2 PHE 26 HD2 PHE 26 34.339 -0.599 3.797 175 HE1 PHE 26 HE1 PHE 26 34.627 -3.586 7.740 176 HE2 PHE 26 HE2 PHE 26 35.578 -2.742 3.638 177 HZ PHE 26 HZ PHE 26 35.722 -4.237 5.611 178 H ASN 27 HN ASN 27 34.506 1.410 4.318 179 HA ASN 27 HA ASN 27 37.357 1.844 4.888 180 HB2 ASN 27 HB2 ASN 27 37.861 0.527 2.932 181 HB3 ASN 27 HB1 ASN 27 36.800 -0.414 3.975 182 HD21 ASN 27 HD21 ASN 27 36.880 -1.107 1.269 183 HD22 ASN 27 HD22 ASN 27 35.437 -0.633 0.511 184 H LYS 28 HN LYS 28 34.870 3.618 4.140 185 HA LYS 28 HA LYS 28 34.426 5.426 2.799 186 HB2 LYS 28 HB2 LYS 28 36.627 5.963 4.073 187 HB3 LYS 28 HB1 LYS 28 37.386 5.765 2.493 188 HG2 LYS 28 HG2 LYS 28 35.790 7.422 1.546 189 HG3 LYS 28 HG1 LYS 28 35.115 7.662 3.157 190 HD2 LYS 28 HD2 LYS 28 38.044 8.067 2.506 191 HD3 LYS 28 HD1 LYS 28 36.856 9.371 2.484 192 HE2 LYS 28 HE2 LYS 28 36.289 8.838 4.858 193 HE3 LYS 28 HE1 LYS 28 37.577 7.635 4.864 194 HZ1 LYS 28 HZ1 LYS 28 37.849 10.560 4.479 195 HZ2 LYS 28 HZ2 LYS 28 39.111 9.460 4.194 196 HZ3 LYS 28 HZ3 LYS 28 38.460 9.624 5.755 197 HA PRO 29 HA PRO 29 35.336 2.974 -1.058 198 HB2 PRO 29 HB2 PRO 29 32.730 3.022 -1.933 199 HB3 PRO 29 HB1 PRO 29 33.402 1.749 -0.896 200 HG2 PRO 29 HG2 PRO 29 31.745 4.114 -0.170 201 HG3 PRO 29 HG1 PRO 29 31.682 2.454 0.450 202 HD2 PRO 29 HD2 PRO 29 32.859 4.471 1.827 203 HD3 PRO 29 HD1 PRO 29 33.437 2.795 1.926 204 H THR 30 HN THR 30 33.911 6.020 -0.301 205 HA THR 30 HA THR 30 34.221 6.939 -3.091 206 HB THR 30 HB THR 30 32.792 8.845 -2.403 207 HG1 THR 30 HG1 THR 30 31.844 8.779 -0.375 208 HG21 THR 30 HG21 THR 30 31.710 6.067 -1.877 209 HG22 THR 30 HG22 THR 30 31.713 6.930 -3.415 210 HG23 THR 30 HG23 THR 30 30.698 7.495 -2.089 211 H GLY 31 HN GLY 31 36.298 6.588 -0.860 212 HA2 GLY 31 HA2 GLY 31 37.195 9.383 -0.627 213 HA3 GLY 31 HA1 GLY 31 37.712 8.055 0.408 214 H TYR 32 HN TYR 32 37.478 7.245 -2.905 215 HA TYR 32 HA TYR 32 40.193 6.599 -3.108 216 HB2 TYR 32 HB2 TYR 32 37.984 6.864 -5.124 217 HB3 TYR 32 HB1 TYR 32 39.629 6.469 -5.619 218 HD1 TYR 32 HD1 TYR 32 36.620 5.285 -3.926 219 HD2 TYR 32 HD2 TYR 32 40.719 4.387 -4.816 220 HE1 TYR 32 HE1 TYR 32 36.242 2.921 -3.272 221 HE2 TYR 32 HE2 TYR 32 40.344 2.024 -4.166 222 HH TYR 32 HH TYR 32 37.423 0.625 -3.925 223 H GLY 33 HN GLY 33 38.343 9.384 -4.200 224 HA2 GLY 33 HA2 GLY 33 40.352 10.647 -5.724 225 HA3 GLY 33 HA1 GLY 33 38.967 11.449 -4.995 226 H SER 34 HN SER 34 39.580 10.738 -2.284 227 HA SER 34 HA SER 34 41.712 12.695 -1.803 228 HB2 SER 34 HB2 SER 34 39.639 11.489 0.040 229 HB3 SER 34 HB1 SER 34 40.847 12.675 0.530 230 HG SER 34 HG SER 34 38.751 12.955 -1.359 231 H SER 35 HN SER 35 41.510 9.414 -2.145 232 HA SER 35 HA SER 35 42.933 8.433 0.075 233 HB2 SER 35 HB2 SER 35 43.107 6.436 -1.155 234 HB3 SER 35 HB1 SER 35 41.613 7.181 -1.726 235 HG SER 35 HG SER 35 42.661 6.720 -3.563 236 H SER 36 HN SER 36 43.902 10.230 -2.716 237 HA SER 36 HA SER 36 45.936 11.053 -3.380 238 HB2 SER 36 HB2 SER 36 47.407 11.639 -1.723 239 HB3 SER 36 HB1 SER 36 46.014 11.255 -0.719 240 HG SER 36 HG SER 36 46.952 9.444 -0.086 241 H ARG 37 HN ARG 37 48.514 10.158 -3.030 242 HA ARG 37 HA ARG 37 48.654 7.990 -4.832 243 HB2 ARG 37 HB2 ARG 37 50.723 9.222 -3.005 244 HB3 ARG 37 HB1 ARG 37 51.094 7.970 -4.191 245 HG2 ARG 37 HG2 ARG 37 50.266 9.389 -6.001 246 HG3 ARG 37 HG1 ARG 37 49.804 10.637 -4.841 247 HD2 ARG 37 HD2 ARG 37 52.156 10.866 -4.152 248 HD3 ARG 37 HD1 ARG 37 52.620 9.623 -5.309 249 HE ARG 37 HE ARG 37 51.219 11.670 -6.663 250 HH11 ARG 37 HH11 ARG 37 54.222 11.054 -5.009 251 HH12 ARG 37 HH12 ARG 37 55.112 12.211 -5.938 252 HH21 ARG 37 HH21 ARG 37 52.405 13.185 -7.868 253 HH22 ARG 37 HH22 ARG 37 54.092 13.412 -7.546 254 H ARG 38 HN ARG 38 48.915 8.176 -1.314 255 HA ARG 38 HA ARG 38 48.638 5.243 -1.202 256 HB2 ARG 38 HB2 ARG 38 50.251 5.180 0.668 257 HB3 ARG 38 HB1 ARG 38 51.003 5.748 -0.823 258 HG2 ARG 38 HG2 ARG 38 50.495 8.121 -0.008 259 HG3 ARG 38 HG1 ARG 38 50.120 7.394 1.553 260 HD2 ARG 38 HD2 ARG 38 52.741 7.001 0.094 261 HD3 ARG 38 HD1 ARG 38 52.491 8.194 1.363 262 HE ARG 38 HE ARG 38 52.737 5.321 1.707 263 HH11 ARG 38 HH11 ARG 38 51.643 8.356 3.043 264 HH12 ARG 38 HH12 ARG 38 51.708 7.796 4.677 265 HH21 ARG 38 HH21 ARG 38 52.803 4.613 3.864 266 HH22 ARG 38 HH22 ARG 38 52.355 5.695 5.142 267 H ALA 39 HN ALA 39 47.798 4.463 0.849 268 HA ALA 39 HA ALA 39 46.266 6.512 2.326 269 HB1 ALA 39 HB1 ALA 39 44.463 4.757 2.533 270 HB2 ALA 39 HB2 ALA 39 45.313 3.855 1.276 271 HB3 ALA 39 HB3 ALA 39 44.671 5.462 0.931 272 HA PRO 40 HA PRO 40 48.749 3.959 5.286 273 HB2 PRO 40 HB2 PRO 40 49.344 6.047 6.956 274 HB3 PRO 40 HB1 PRO 40 50.304 5.643 5.521 275 HG2 PRO 40 HG2 PRO 40 48.248 7.763 5.890 276 HG3 PRO 40 HG1 PRO 40 49.778 7.816 5.000 277 HD2 PRO 40 HD2 PRO 40 47.355 7.501 3.784 278 HD3 PRO 40 HD1 PRO 40 48.867 6.858 3.115 279 H GLN 41 HN GLN 41 46.415 3.172 5.621 280 HA GLN 41 HA GLN 41 45.549 3.957 8.294 281 HB2 GLN 41 HB2 GLN 41 44.145 5.273 6.765 282 HB3 GLN 41 HB1 GLN 41 43.700 3.802 5.898 283 HG2 GLN 41 HG2 GLN 41 42.673 2.888 7.919 284 HG3 GLN 41 HG1 GLN 41 43.165 4.311 8.835 285 HE21 GLN 41 HE21 GLN 41 40.466 3.863 8.854 286 HE22 GLN 41 HE22 GLN 41 39.659 4.934 7.813 287 H THR 42 HN THR 42 45.853 2.095 9.318 288 HA THR 42 HA THR 42 45.936 -0.479 8.349 289 HB THR 42 HB THR 42 46.487 0.261 10.700 290 HG1 THR 42 HG1 THR 42 46.516 -1.838 10.739 291 HG21 THR 42 HG21 THR 42 43.543 -0.180 11.215 292 HG22 THR 42 HG22 THR 42 44.220 1.428 10.956 293 HG23 THR 42 HG23 THR 42 44.758 0.453 12.325 294 H GLY 43 HN GLY 43 44.317 -2.268 8.794 295 HA2 GLY 43 HA2 GLY 43 41.771 -1.505 7.618 296 HA3 GLY 43 HA1 GLY 43 42.381 -3.142 7.833 297 H ILE 44 HN ILE 44 40.108 -1.021 8.876 298 HA ILE 44 HA ILE 44 39.976 -1.325 11.649 299 HB ILE 44 HB ILE 44 38.553 0.254 10.441 300 HG12 ILE 44 HG12 ILE 44 36.963 -1.902 11.862 301 HG13 ILE 44 HG11 ILE 44 37.797 -0.554 12.634 302 HG21 ILE 44 HG21 ILE 44 36.977 -2.129 9.455 303 HG22 ILE 44 HG22 ILE 44 38.195 -1.314 8.473 304 HG23 ILE 44 HG23 ILE 44 36.763 -0.435 9.012 305 HD11 ILE 44 HD11 ILE 44 35.427 -0.434 10.761 306 HD12 ILE 44 HD12 ILE 44 36.376 0.989 11.189 307 HD13 ILE 44 HD13 ILE 44 35.503 0.101 12.438 308 H VAL 45 HN VAL 45 38.774 -3.392 9.038 309 HA VAL 45 HA VAL 45 37.347 -5.214 10.643 310 HB VAL 45 HB VAL 45 38.660 -5.507 7.940 311 HG11 VAL 45 HG11 VAL 45 38.562 -7.733 8.887 312 HG12 VAL 45 HG12 VAL 45 37.204 -7.570 7.771 313 HG13 VAL 45 HG13 VAL 45 36.932 -7.446 9.507 314 HG21 VAL 45 HG21 VAL 45 35.742 -5.339 8.762 315 HG22 VAL 45 HG22 VAL 45 36.384 -5.300 7.121 316 HG23 VAL 45 HG23 VAL 45 36.692 -3.956 8.218 317 H ASP 46 HN ASP 46 40.684 -5.252 9.460 318 HA ASP 46 HA ASP 46 41.383 -7.760 10.528 319 HB2 ASP 46 HB2 ASP 46 43.037 -5.326 9.843 320 HB3 ASP 46 HB1 ASP 46 43.743 -6.852 10.374 321 H GLU 47 HN GLU 47 41.490 -4.494 11.905 322 HA GLU 47 HA GLU 47 42.964 -5.131 14.217 323 HB2 GLU 47 HB2 GLU 47 42.500 -2.823 13.456 324 HB3 GLU 47 HB1 GLU 47 40.798 -3.041 13.866 325 HG2 GLU 47 HG2 GLU 47 41.938 -1.875 15.687 326 HG3 GLU 47 HG1 GLU 47 41.445 -3.480 16.226 327 H CYS 48 HN CYS 48 39.426 -4.881 13.783 328 HA CYS 48 HA CYS 48 38.824 -5.826 16.418 329 HB2 CYS 48 HB2 CYS 48 37.125 -5.620 13.925 330 HB3 CYS 48 HB1 CYS 48 36.524 -6.062 15.515 331 H CYS 49 HN CYS 49 38.967 -7.362 13.232 332 HA CYS 49 HA CYS 49 37.915 -9.851 13.956 333 HB2 CYS 49 HB2 CYS 49 38.241 -9.133 11.617 334 HB3 CYS 49 HB1 CYS 49 39.987 -9.237 11.834 335 H PHE 50 HN PHE 50 41.315 -8.786 13.755 336 HA PHE 50 HA PHE 50 42.232 -11.255 14.927 337 HB2 PHE 50 HB2 PHE 50 43.595 -8.740 13.990 338 HB3 PHE 50 HB1 PHE 50 44.486 -9.996 14.857 339 HD1 PHE 50 HD1 PHE 50 42.425 -9.256 11.854 340 HD2 PHE 50 HD2 PHE 50 45.061 -12.056 13.769 341 HE1 PHE 50 HE1 PHE 50 42.591 -10.531 9.734 342 HE2 PHE 50 HE2 PHE 50 45.234 -13.337 11.651 343 HZ PHE 50 HZ PHE 50 44.005 -12.580 9.635 344 H ARG 51 HN ARG 51 42.834 -7.853 15.829 345 HA ARG 51 HA ARG 51 43.263 -8.580 18.591 346 HB2 ARG 51 HB2 ARG 51 43.226 -5.919 17.160 347 HB3 ARG 51 HB1 ARG 51 43.549 -6.101 18.885 348 HG2 ARG 51 HG2 ARG 51 45.445 -7.592 18.381 349 HG3 ARG 51 HG1 ARG 51 45.123 -7.422 16.655 350 HD2 ARG 51 HD2 ARG 51 45.514 -5.000 16.814 351 HD3 ARG 51 HD1 ARG 51 45.819 -5.156 18.540 352 HE ARG 51 HE ARG 51 47.563 -6.891 17.172 353 HH11 ARG 51 HH11 ARG 51 46.922 -3.494 17.598 354 HH12 ARG 51 HH12 ARG 51 48.568 -3.027 17.347 355 HH21 ARG 51 HH21 ARG 51 49.718 -6.256 16.845 356 HH22 ARG 51 HH22 ARG 51 50.144 -4.579 16.923 357 H SER 52 HN SER 52 42.088 -7.456 20.356 358 HA SER 52 HA SER 52 39.209 -7.512 19.829 359 HB2 SER 52 HB2 SER 52 40.858 -7.462 22.356 360 HB3 SER 52 HB1 SER 52 39.105 -7.288 22.366 361 HG SER 52 HG SER 52 38.888 -9.322 21.717 362 H CYS 53 HN CYS 53 39.115 -5.514 18.635 363 HA CYS 53 HA CYS 53 39.981 -3.032 19.722 364 HB2 CYS 53 HB2 CYS 53 38.678 -2.019 17.944 365 HB3 CYS 53 HB1 CYS 53 39.507 -3.437 17.303 366 H ASP 54 HN ASP 54 39.020 -1.648 21.089 367 HA ASP 54 HA ASP 54 36.755 -2.512 22.615 368 HB2 ASP 54 HB2 ASP 54 38.353 0.047 22.570 369 HB3 ASP 54 HB1 ASP 54 36.983 -0.205 23.650 370 H LEU 55 HN LEU 55 34.713 -1.500 22.782 371 HA LEU 55 HA LEU 55 33.503 -0.807 20.329 372 HB2 LEU 55 HB2 LEU 55 32.599 -0.438 23.194 373 HB3 LEU 55 HB1 LEU 55 31.574 -0.097 21.799 374 HG LEU 55 HG LEU 55 32.927 -2.770 22.231 375 HD11 LEU 55 HD11 LEU 55 30.065 -1.992 22.872 376 HD12 LEU 55 HD12 LEU 55 31.328 -2.226 24.080 377 HD13 LEU 55 HD13 LEU 55 30.794 -3.582 23.086 378 HD21 LEU 55 HD21 LEU 55 30.763 -1.717 20.390 379 HD22 LEU 55 HD22 LEU 55 31.024 -3.442 20.649 380 HD23 LEU 55 HD23 LEU 55 32.299 -2.453 19.939 381 H ARG 56 HN ARG 56 34.702 1.163 23.022 382 HA ARG 56 HA ARG 56 33.738 3.656 22.138 383 HB2 ARG 56 HB2 ARG 56 34.651 3.305 24.388 384 HB3 ARG 56 HB1 ARG 56 36.253 3.033 23.702 385 HG2 ARG 56 HG2 ARG 56 36.272 5.304 22.778 386 HG3 ARG 56 HG1 ARG 56 34.642 5.584 23.392 387 HD2 ARG 56 HD2 ARG 56 35.445 5.250 25.693 388 HD3 ARG 56 HD1 ARG 56 37.070 4.950 25.086 389 HE ARG 56 HE ARG 56 36.242 7.447 24.113 390 HH11 ARG 56 HH11 ARG 56 36.957 5.858 27.131 391 HH12 ARG 56 HH12 ARG 56 37.482 7.309 27.911 392 HH21 ARG 56 HH21 ARG 56 36.934 9.339 25.158 393 HH22 ARG 56 HH22 ARG 56 37.470 9.270 26.803 394 H ARG 57 HN ARG 57 36.893 2.048 21.540 395 HA ARG 57 HA ARG 57 37.976 4.081 19.943 396 HB2 ARG 57 HB2 ARG 57 39.221 2.161 21.014 397 HB3 ARG 57 HB1 ARG 57 38.558 1.121 19.750 398 HG2 ARG 57 HG2 ARG 57 39.599 2.466 18.026 399 HG3 ARG 57 HG1 ARG 57 40.152 3.633 19.225 400 HD2 ARG 57 HD2 ARG 57 42.027 2.225 18.760 401 HD3 ARG 57 HD1 ARG 57 41.400 1.743 20.334 402 HE ARG 57 HE ARG 57 40.172 0.157 18.357 403 HH11 ARG 57 HH11 ARG 57 43.286 0.724 19.820 404 HH12 ARG 57 HH12 ARG 57 43.839 -0.895 19.558 405 HH21 ARG 57 HH21 ARG 57 40.923 -1.956 18.021 406 HH22 ARG 57 HH22 ARG 57 42.511 -2.405 18.546 407 H LEU 58 HN LEU 58 35.932 1.297 19.230 408 HA LEU 58 HA LEU 58 36.145 1.299 16.442 409 HB2 LEU 58 HB2 LEU 58 35.019 -0.448 17.885 410 HB3 LEU 58 HB1 LEU 58 33.635 0.641 17.977 411 HG LEU 58 HG LEU 58 33.707 0.687 15.409 412 HD11 LEU 58 HD11 LEU 58 35.489 -1.699 15.982 413 HD12 LEU 58 HD12 LEU 58 35.929 -0.251 15.084 414 HD13 LEU 58 HD13 LEU 58 34.749 -1.373 14.417 415 HD21 LEU 58 HD21 LEU 58 32.595 -1.602 15.290 416 HD22 LEU 58 HD22 LEU 58 31.936 -0.500 16.497 417 HD23 LEU 58 HD23 LEU 58 33.021 -1.801 16.989 418 H ASP 59 HN ASP 59 34.114 3.193 18.601 419 HA ASP 59 HA ASP 59 32.371 4.309 16.720 420 HB2 ASP 59 HB2 ASP 59 32.239 4.476 19.251 421 HB3 ASP 59 HB1 ASP 59 33.432 5.769 19.138 422 H MET 60 HN MET 60 35.728 4.819 17.165 423 HA MET 60 HA MET 60 35.967 7.482 16.269 424 HB2 MET 60 HB2 MET 60 37.881 5.151 16.154 425 HB3 MET 60 HB1 MET 60 38.315 6.792 15.698 426 HG2 MET 60 HG2 MET 60 37.782 7.613 17.925 427 HG3 MET 60 HG1 MET 60 37.198 6.020 18.408 428 HE1 MET 60 HE1 MET 60 41.456 7.449 17.641 429 HE2 MET 60 HE2 MET 60 39.922 8.241 17.282 430 HE3 MET 60 HE3 MET 60 40.511 6.958 16.228 431 H TYR 61 HN TYR 61 35.756 4.408 14.575 432 HA TYR 61 HA TYR 61 36.395 5.496 11.974 433 HB2 TYR 61 HB2 TYR 61 34.896 2.932 12.491 434 HB3 TYR 61 HB1 TYR 61 35.956 3.338 11.151 435 HD1 TYR 61 HD1 TYR 61 35.838 1.483 14.078 436 HD2 TYR 61 HD2 TYR 61 38.404 4.209 11.979 437 HE1 TYR 61 HE1 TYR 61 37.792 0.573 15.293 438 HE2 TYR 61 HE2 TYR 61 40.366 3.302 13.194 439 HH TYR 61 HH TYR 61 40.568 0.562 14.565 440 H CYS 62 HN CYS 62 33.670 5.742 13.939 441 HA CYS 62 HA CYS 62 31.633 5.593 11.948 442 HB2 CYS 62 HB2 CYS 62 31.711 6.934 14.652 443 HB3 CYS 62 HB1 CYS 62 30.270 6.813 13.655 444 H ALA 63 HN ALA 63 30.484 7.335 10.989 445 HA ALA 63 HA ALA 63 32.101 9.373 9.975 446 HB1 ALA 63 HB1 ALA 63 29.982 8.339 8.948 447 HB2 ALA 63 HB2 ALA 63 30.209 10.077 8.751 448 HB3 ALA 63 HB3 ALA 63 29.090 9.466 9.971 449 HA PRO 64 HA PRO 64 31.677 12.484 13.093 450 HB2 PRO 64 HB2 PRO 64 32.039 14.738 11.602 451 HB3 PRO 64 HB1 PRO 64 33.356 13.617 11.997 452 HG2 PRO 64 HG2 PRO 64 31.800 13.902 9.477 453 HG3 PRO 64 HG1 PRO 64 33.523 13.560 9.711 454 HD2 PRO 64 HD2 PRO 64 31.655 11.625 9.102 455 HD3 PRO 64 HD1 PRO 64 33.169 11.288 9.967 456 H LEU 65 HN LEU 65 30.342 14.281 13.815 457 HA LEU 65 HA LEU 65 27.600 13.983 13.107 458 HB2 LEU 65 HB2 LEU 65 28.963 16.158 14.719 459 HB3 LEU 65 HB1 LEU 65 27.229 15.842 14.676 460 HG LEU 65 HG LEU 65 29.309 13.821 15.556 461 HD11 LEU 65 HD11 LEU 65 29.292 15.509 17.234 462 HD12 LEU 65 HD12 LEU 65 28.197 14.262 17.831 463 HD13 LEU 65 HD13 LEU 65 27.546 15.732 17.104 464 HD21 LEU 65 HD21 LEU 65 27.187 12.736 16.506 465 HD22 LEU 65 HD22 LEU 65 27.365 12.684 14.750 466 HD23 LEU 65 HD23 LEU 65 26.282 13.862 15.493 467 H LYS 66 HN LYS 66 26.234 15.355 12.003 468 HA LYS 66 HA LYS 66 27.391 16.774 9.834 469 HB2 LYS 66 HB2 LYS 66 25.104 17.269 9.171 470 HB3 LYS 66 HB1 LYS 66 25.205 15.592 9.699 471 HG2 LYS 66 HG2 LYS 66 24.354 16.239 11.925 472 HG3 LYS 66 HG1 LYS 66 24.247 17.918 11.397 473 HD2 LYS 66 HD2 LYS 66 22.655 17.262 9.632 474 HD3 LYS 66 HD1 LYS 66 22.752 15.585 10.174 475 HE2 LYS 66 HE2 LYS 66 21.901 16.241 12.390 476 HE3 LYS 66 HE1 LYS 66 21.815 17.922 11.865 477 HZ1 LYS 66 HZ1 LYS 66 20.099 17.473 10.412 478 HZ2 LYS 66 HZ2 LYS 66 19.716 16.474 11.732 479 HZ3 LYS 66 HZ3 LYS 66 20.436 15.812 10.342 480 HA PRO 67 HA PRO 67 27.808 20.904 11.286 481 HB2 PRO 67 HB2 PRO 67 26.051 21.841 9.068 482 HB3 PRO 67 HB1 PRO 67 27.725 22.288 9.448 483 HG2 PRO 67 HG2 PRO 67 27.169 20.707 7.394 484 HG3 PRO 67 HG1 PRO 67 28.599 20.429 8.403 485 HD2 PRO 67 HD2 PRO 67 25.986 18.968 8.390 486 HD3 PRO 67 HD1 PRO 67 27.637 18.339 8.587 487 H ALA 68 HN ALA 68 26.797 22.303 12.682 488 HA ALA 68 HA ALA 68 23.879 22.504 12.695 489 HB1 ALA 68 HB1 ALA 68 25.350 21.750 15.223 490 HB2 ALA 68 HB2 ALA 68 24.586 20.553 14.176 491 HB3 ALA 68 HB3 ALA 68 23.607 21.799 14.950 492 H LYS 69 HN LYS 69 23.097 24.274 13.969 493 HA LYS 69 HA LYS 69 23.153 26.474 14.641 494 HB2 LYS 69 HB2 LYS 69 25.807 25.598 15.809 495 HB3 LYS 69 HB1 LYS 69 24.938 27.073 16.232 496 HG2 LYS 69 HG2 LYS 69 23.049 25.774 17.061 497 HG3 LYS 69 HG1 LYS 69 23.816 24.273 16.540 498 HD2 LYS 69 HD2 LYS 69 24.238 24.496 18.900 499 HD3 LYS 69 HD1 LYS 69 25.753 24.848 18.068 500 HE2 LYS 69 HE2 LYS 69 25.350 27.250 18.273 501 HE3 LYS 69 HE1 LYS 69 23.777 26.946 19.011 502 HZ1 LYS 69 HZ1 LYS 69 24.862 25.863 20.851 503 HZ2 LYS 69 HZ2 LYS 69 25.506 27.423 20.653 504 HZ3 LYS 69 HZ3 LYS 69 26.383 26.066 20.127 505 H SER 70 HN SER 70 24.053 25.932 12.006 506 HA SER 70 HA SER 70 26.095 28.050 11.669 507 HB2 SER 70 HB2 SER 70 25.622 25.590 9.973 508 HB3 SER 70 HB1 SER 70 26.740 26.888 9.566 509 HG SER 70 HG SER 70 28.085 25.780 10.744 510 H ALA 71 HN ALA 71 25.784 29.541 10.016 511 HA ALA 71 HA ALA 71 23.005 29.846 9.164 512 HB1 ALA 71 HB1 ALA 71 23.688 32.091 8.471 513 HB2 ALA 71 HB2 ALA 71 25.375 31.698 8.806 514 HB3 ALA 71 HB3 ALA 71 24.209 31.781 10.128 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 41.640 -22.355 15.758 2 H2 GLY 1 HT2 GLY 1 41.990 -21.918 14.154 3 H3 GLY 1 HT3 GLY 1 40.446 -22.500 14.562 4 HA2 GLY 1 HA2 GLY 1 41.629 -19.858 15.019 5 HA3 GLY 1 HA1 GLY 1 39.996 -20.282 14.502 6 H GLY 2 HN GLY 2 38.830 -19.219 16.058 7 HA2 GLY 2 HA2 GLY 2 37.738 -20.012 18.207 8 HA3 GLY 2 HA1 GLY 2 39.363 -19.933 18.880 9 HA PRO 3 HA PRO 3 38.846 -15.643 19.709 10 HB2 PRO 3 HB2 PRO 3 41.212 -14.504 18.984 11 HB3 PRO 3 HB1 PRO 3 41.058 -15.603 20.366 12 HG2 PRO 3 HG2 PRO 3 42.113 -16.128 17.638 13 HG3 PRO 3 HG1 PRO 3 42.661 -16.748 19.203 14 HD2 PRO 3 HD2 PRO 3 41.091 -18.181 17.427 15 HD3 PRO 3 HD1 PRO 3 41.173 -18.499 19.172 16 H GLU 4 HN GLU 4 37.293 -15.889 17.646 17 HA GLU 4 HA GLU 4 38.014 -13.693 15.818 18 HB2 GLU 4 HB2 GLU 4 36.717 -16.336 15.139 19 HB3 GLU 4 HB1 GLU 4 36.688 -14.942 14.060 20 HG2 GLU 4 HG2 GLU 4 39.107 -14.901 13.949 21 HG3 GLU 4 HG1 GLU 4 39.227 -16.161 15.177 22 H THR 5 HN THR 5 36.671 -12.070 16.114 23 HA THR 5 HA THR 5 33.798 -12.563 16.323 24 HB THR 5 HB THR 5 34.615 -12.548 18.672 25 HG1 THR 5 HG1 THR 5 32.933 -11.393 19.251 26 HG21 THR 5 HG21 THR 5 35.353 -9.663 18.151 27 HG22 THR 5 HG22 THR 5 36.539 -10.969 18.145 28 HG23 THR 5 HG23 THR 5 35.637 -10.601 19.617 29 H LEU 6 HN LEU 6 32.524 -10.703 15.854 30 HA LEU 6 HA LEU 6 32.020 -8.794 14.683 31 HB2 LEU 6 HB2 LEU 6 34.730 -7.862 15.662 32 HB3 LEU 6 HB1 LEU 6 33.406 -6.848 15.098 33 HG LEU 6 HG LEU 6 33.255 -8.691 17.497 34 HD11 LEU 6 HD11 LEU 6 34.771 -6.638 17.689 35 HD12 LEU 6 HD12 LEU 6 33.462 -6.742 18.867 36 HD13 LEU 6 HD13 LEU 6 33.316 -5.664 17.478 37 HD21 LEU 6 HD21 LEU 6 31.155 -7.345 17.916 38 HD22 LEU 6 HD22 LEU 6 31.073 -8.381 16.495 39 HD23 LEU 6 HD23 LEU 6 31.355 -6.654 16.309 40 H CYS 7 HN CYS 7 32.950 -10.828 13.118 41 HA CYS 7 HA CYS 7 34.696 -9.437 11.172 42 HB2 CYS 7 HB2 CYS 7 34.413 -12.419 11.626 43 HB3 CYS 7 HB1 CYS 7 35.475 -11.643 10.452 44 H GLY 8 HN GLY 8 34.126 -9.544 8.992 45 HA2 GLY 8 HA2 GLY 8 32.711 -9.659 7.182 46 HA3 GLY 8 HA1 GLY 8 32.101 -11.152 7.888 47 H ALA 9 HN ALA 9 29.979 -11.112 8.136 48 HA ALA 9 HA ALA 9 28.366 -8.817 8.007 49 HB1 ALA 9 HB1 ALA 9 26.686 -10.484 9.217 50 HB2 ALA 9 HB2 ALA 9 27.932 -11.663 8.795 51 HB3 ALA 9 HB3 ALA 9 27.152 -10.715 7.530 52 H GLU 10 HN GLU 10 29.743 -10.555 10.747 53 HA GLU 10 HA GLU 10 28.286 -9.315 12.805 54 HB2 GLU 10 HB2 GLU 10 31.091 -10.446 12.736 55 HB3 GLU 10 HB1 GLU 10 30.300 -9.903 14.214 56 HG2 GLU 10 HG2 GLU 10 29.238 -12.041 12.345 57 HG3 GLU 10 HG1 GLU 10 30.034 -12.343 13.888 58 H LEU 11 HN LEU 11 31.275 -8.355 11.143 59 HA LEU 11 HA LEU 11 31.879 -6.134 12.779 60 HB2 LEU 11 HB2 LEU 11 33.510 -7.067 11.209 61 HB3 LEU 11 HB1 LEU 11 32.493 -6.601 9.851 62 HG LEU 11 HG LEU 11 32.715 -4.220 10.514 63 HD11 LEU 11 HD11 LEU 11 34.564 -3.727 12.207 64 HD12 LEU 11 HD12 LEU 11 34.451 -5.422 12.680 65 HD13 LEU 11 HD13 LEU 11 33.058 -4.357 12.875 66 HD21 LEU 11 HD21 LEU 11 35.399 -5.612 10.271 67 HD22 LEU 11 HD22 LEU 11 35.034 -3.946 9.817 68 HD23 LEU 11 HD23 LEU 11 34.317 -5.283 8.916 69 H VAL 12 HN VAL 12 30.071 -6.373 9.718 70 HA VAL 12 HA VAL 12 29.475 -3.644 9.486 71 HB VAL 12 HB VAL 12 28.143 -6.125 8.413 72 HG11 VAL 12 HG11 VAL 12 26.909 -4.460 6.908 73 HG12 VAL 12 HG12 VAL 12 27.387 -3.204 8.052 74 HG13 VAL 12 HG13 VAL 12 26.337 -4.519 8.575 75 HG21 VAL 12 HG21 VAL 12 29.843 -3.898 7.268 76 HG22 VAL 12 HG22 VAL 12 29.033 -5.110 6.279 77 HG23 VAL 12 HG23 VAL 12 30.274 -5.602 7.431 78 H ASP 13 HN ASP 13 27.630 -6.306 10.928 79 HA ASP 13 HA ASP 13 25.359 -4.815 11.671 80 HB2 ASP 13 HB2 ASP 13 26.567 -7.369 12.735 81 HB3 ASP 13 HB1 ASP 13 25.055 -6.704 13.356 82 H ALA 14 HN ALA 14 28.361 -5.562 13.414 83 HA ALA 14 HA ALA 14 27.615 -4.395 15.873 84 HB1 ALA 14 HB1 ALA 14 30.414 -4.543 14.756 85 HB2 ALA 14 HB2 ALA 14 29.580 -5.923 15.469 86 HB3 ALA 14 HB3 ALA 14 29.930 -4.498 16.453 87 H LEU 15 HN LEU 15 29.270 -3.075 13.025 88 HA LEU 15 HA LEU 15 29.837 -0.530 14.105 89 HB2 LEU 15 HB2 LEU 15 29.425 -1.482 11.266 90 HB3 LEU 15 HB1 LEU 15 29.913 0.163 11.667 91 HG LEU 15 HG LEU 15 31.417 -2.274 12.644 92 HD11 LEU 15 HD11 LEU 15 32.188 -0.500 10.314 93 HD12 LEU 15 HD12 LEU 15 31.329 -2.023 10.099 94 HD13 LEU 15 HD13 LEU 15 32.940 -2.015 10.816 95 HD21 LEU 15 HD21 LEU 15 31.935 0.709 12.570 96 HD22 LEU 15 HD22 LEU 15 33.236 -0.459 12.806 97 HD23 LEU 15 HD23 LEU 15 31.921 -0.358 13.975 98 H GLN 16 HN GLN 16 27.050 -1.775 12.293 99 HA GLN 16 HA GLN 16 25.664 0.693 12.118 100 HB2 GLN 16 HB2 GLN 16 25.156 -1.296 10.717 101 HB3 GLN 16 HB1 GLN 16 24.506 -2.103 12.147 102 HG2 GLN 16 HG2 GLN 16 22.834 -0.345 12.416 103 HG3 GLN 16 HG1 GLN 16 23.511 0.542 11.055 104 HE21 GLN 16 HE21 GLN 16 20.922 -0.000 10.635 105 HE22 GLN 16 HE22 GLN 16 20.696 -1.336 9.612 106 H PHE 17 HN PHE 17 25.627 -1.933 14.489 107 HA PHE 17 HA PHE 17 23.495 -1.037 16.079 108 HB2 PHE 17 HB2 PHE 17 24.319 -3.220 16.481 109 HB3 PHE 17 HB1 PHE 17 25.971 -2.643 16.698 110 HD1 PHE 17 HD1 PHE 17 22.572 -2.698 18.214 111 HD2 PHE 17 HD2 PHE 17 26.732 -1.746 18.777 112 HE1 PHE 17 HE1 PHE 17 22.178 -2.408 20.648 113 HE2 PHE 17 HE2 PHE 17 26.333 -1.467 21.210 114 HZ PHE 17 HZ PHE 17 24.059 -1.796 22.145 115 H VAL 18 HN VAL 18 26.988 -0.419 16.390 116 HA VAL 18 HA VAL 18 26.791 1.250 18.659 117 HB VAL 18 HB VAL 18 28.885 1.080 16.484 118 HG11 VAL 18 HG11 VAL 18 28.863 2.553 19.126 119 HG12 VAL 18 HG12 VAL 18 29.046 3.260 17.520 120 HG13 VAL 18 HG13 VAL 18 30.324 2.246 18.187 121 HG21 VAL 18 HG21 VAL 18 28.976 0.096 19.348 122 HG22 VAL 18 HG22 VAL 18 30.081 -0.306 18.030 123 HG23 VAL 18 HG23 VAL 18 28.427 -0.920 18.014 124 H CYS 19 HN CYS 19 26.848 1.958 15.184 125 HA CYS 19 HA CYS 19 25.960 4.718 15.803 126 HB2 CYS 19 HB2 CYS 19 27.652 3.745 13.492 127 HB3 CYS 19 HB1 CYS 19 27.059 5.381 13.691 128 H GLY 20 HN GLY 20 23.871 3.309 15.766 129 HA2 GLY 20 HA2 GLY 20 22.805 2.383 13.323 130 HA3 GLY 20 HA1 GLY 20 21.868 2.854 14.739 131 H ASP 21 HN ASP 21 22.666 5.548 14.913 132 HA ASP 21 HA ASP 21 21.069 6.647 12.729 133 HB2 ASP 21 HB2 ASP 21 22.090 7.781 15.331 134 HB3 ASP 21 HB1 ASP 21 21.214 8.741 14.137 135 H ARG 22 HN ARG 22 24.255 7.195 14.245 136 HA ARG 22 HA ARG 22 25.083 9.221 12.447 137 HB2 ARG 22 HB2 ARG 22 26.646 7.310 14.183 138 HB3 ARG 22 HB1 ARG 22 27.401 8.586 13.239 139 HG2 ARG 22 HG2 ARG 22 25.847 10.217 14.392 140 HG3 ARG 22 HG1 ARG 22 25.361 8.895 15.454 141 HD2 ARG 22 HD2 ARG 22 28.218 9.828 15.088 142 HD3 ARG 22 HD1 ARG 22 27.183 10.309 16.426 143 HE ARG 22 HE ARG 22 28.451 7.723 16.054 144 HH11 ARG 22 HH11 ARG 22 25.891 9.510 17.617 145 HH12 ARG 22 HH12 ARG 22 25.740 8.388 18.915 146 HH21 ARG 22 HH21 ARG 22 28.221 6.269 17.770 147 HH22 ARG 22 HH22 ARG 22 27.043 6.564 19.005 148 H GLY 23 HN GLY 23 25.480 5.702 12.426 149 HA2 GLY 23 HA2 GLY 23 25.819 4.271 10.640 150 HA3 GLY 23 HA1 GLY 23 25.729 5.661 9.562 151 H PHE 24 HN PHE 24 27.552 3.902 8.846 152 HA PHE 24 HA PHE 24 30.069 5.286 9.375 153 HB2 PHE 24 HB2 PHE 24 31.282 3.257 9.930 154 HB3 PHE 24 HB1 PHE 24 29.949 3.458 11.066 155 HD1 PHE 24 HD1 PHE 24 31.440 1.332 8.548 156 HD2 PHE 24 HD2 PHE 24 27.785 2.186 10.641 157 HE1 PHE 24 HE1 PHE 24 30.538 -0.871 7.876 158 HE2 PHE 24 HE2 PHE 24 26.885 -0.027 9.975 159 HZ PHE 24 HZ PHE 24 28.265 -1.552 8.590 160 H TYR 25 HN TYR 25 31.749 4.704 7.828 161 HA TYR 25 HA TYR 25 30.699 3.420 5.384 162 HB2 TYR 25 HB2 TYR 25 31.831 5.148 4.040 163 HB3 TYR 25 HB1 TYR 25 30.599 5.854 5.086 164 HD1 TYR 25 HD1 TYR 25 34.205 5.516 4.457 165 HD2 TYR 25 HD2 TYR 25 31.221 7.144 7.082 166 HE1 TYR 25 HE1 TYR 25 35.921 6.966 5.507 167 HE2 TYR 25 HE2 TYR 25 32.937 8.594 8.129 168 HH TYR 25 HH TYR 25 35.063 9.480 7.787 169 H PHE 26 HN PHE 26 33.442 4.260 7.404 170 HA PHE 26 HA PHE 26 35.539 3.353 7.608 171 HB2 PHE 26 HB2 PHE 26 34.264 1.237 7.789 172 HB3 PHE 26 HB1 PHE 26 34.349 1.051 6.041 173 HD1 PHE 26 HD1 PHE 26 36.433 1.351 9.112 174 HD2 PHE 26 HD2 PHE 26 36.277 0.161 4.989 175 HE1 PHE 26 HE1 PHE 26 38.679 0.320 9.325 176 HE2 PHE 26 HE2 PHE 26 38.521 -0.869 5.201 177 HZ PHE 26 HZ PHE 26 39.724 -0.789 7.369 178 H ASN 27 HN ASN 27 37.522 2.963 6.425 179 HA ASN 27 HA ASN 27 37.481 4.272 3.823 180 HB2 ASN 27 HB2 ASN 27 39.170 4.813 5.607 181 HB3 ASN 27 HB1 ASN 27 39.853 3.206 5.364 182 HD21 ASN 27 HD21 ASN 27 41.861 3.944 4.444 183 HD22 ASN 27 HD22 ASN 27 41.935 4.717 2.935 184 H LYS 28 HN LYS 28 36.687 2.847 2.330 185 HA LYS 28 HA LYS 28 37.424 0.096 2.246 186 HB2 LYS 28 HB2 LYS 28 36.101 1.898 0.215 187 HB3 LYS 28 HB1 LYS 28 36.340 0.173 -0.029 188 HG2 LYS 28 HG2 LYS 28 35.059 -0.304 2.022 189 HG3 LYS 28 HG1 LYS 28 34.814 1.426 2.268 190 HD2 LYS 28 HD2 LYS 28 33.631 1.571 0.108 191 HD3 LYS 28 HD1 LYS 28 33.873 -0.159 -0.140 192 HE2 LYS 28 HE2 LYS 28 32.585 -0.643 1.902 193 HE3 LYS 28 HE1 LYS 28 32.350 1.086 2.168 194 HZ1 LYS 28 HZ1 LYS 28 31.259 -0.614 0.014 195 HZ2 LYS 28 HZ2 LYS 28 31.369 1.071 -0.171 196 HZ3 LYS 28 HZ3 LYS 28 30.429 0.412 1.081 197 HA PRO 29 HA PRO 29 41.255 0.262 0.059 198 HB2 PRO 29 HB2 PRO 29 41.025 -1.922 -1.597 199 HB3 PRO 29 HB1 PRO 29 41.389 -2.030 0.134 200 HG2 PRO 29 HG2 PRO 29 38.802 -2.412 -1.294 201 HG3 PRO 29 HG1 PRO 29 39.489 -3.318 0.067 202 HD2 PRO 29 HD2 PRO 29 37.559 -1.451 0.411 203 HD3 PRO 29 HD1 PRO 29 38.810 -1.745 1.636 204 H THR 30 HN THR 30 38.268 0.180 -1.749 205 HA THR 30 HA THR 30 39.581 1.673 -3.932 206 HB THR 30 HB THR 30 38.202 0.491 -5.571 207 HG1 THR 30 HG1 THR 30 37.326 -0.921 -3.277 208 HG21 THR 30 HG21 THR 30 39.636 -1.468 -3.759 209 HG22 THR 30 HG22 THR 30 40.444 -0.408 -4.915 210 HG23 THR 30 HG23 THR 30 39.336 -1.656 -5.487 211 H GLY 31 HN GLY 31 38.052 2.986 -5.209 212 HA2 GLY 31 HA2 GLY 31 35.474 3.552 -3.953 213 HA3 GLY 31 HA1 GLY 31 36.653 4.861 -3.952 214 H TYR 32 HN TYR 32 34.230 3.299 -5.715 215 HA TYR 32 HA TYR 32 35.092 3.943 -8.362 216 HB2 TYR 32 HB2 TYR 32 32.386 3.249 -7.213 217 HB3 TYR 32 HB1 TYR 32 32.669 3.525 -8.932 218 HD1 TYR 32 HD1 TYR 32 33.300 1.294 -6.080 219 HD2 TYR 32 HD2 TYR 32 34.048 1.984 -10.253 220 HE1 TYR 32 HE1 TYR 32 34.124 -1.032 -6.316 221 HE2 TYR 32 HE2 TYR 32 34.872 -0.343 -10.489 222 HH TYR 32 HH TYR 32 34.408 -2.709 -8.074 223 H GLY 33 HN GLY 33 33.412 5.655 -5.836 224 HA2 GLY 33 HA2 GLY 33 32.122 7.645 -7.337 225 HA3 GLY 33 HA1 GLY 33 32.668 7.827 -5.674 226 H SER 34 HN SER 34 35.436 7.477 -6.073 227 HA SER 34 HA SER 34 36.479 9.118 -8.138 228 HB2 SER 34 HB2 SER 34 35.344 10.911 -6.896 229 HB3 SER 34 HB1 SER 34 36.203 10.445 -5.430 230 HG SER 34 HG SER 34 37.043 12.187 -7.024 231 H SER 35 HN SER 35 37.417 6.788 -7.566 232 HA SER 35 HA SER 35 40.091 7.236 -6.695 233 HB2 SER 35 HB2 SER 35 38.836 7.138 -4.490 234 HB3 SER 35 HB1 SER 35 38.477 5.456 -4.865 235 HG SER 35 HG SER 35 40.360 5.176 -3.934 236 H SER 36 HN SER 36 40.160 6.308 -8.873 237 HA SER 36 HA SER 36 39.319 3.628 -9.366 238 HB2 SER 36 HB2 SER 36 40.491 3.829 -11.452 239 HB3 SER 36 HB1 SER 36 39.730 5.384 -11.125 240 HG SER 36 HG SER 36 42.437 4.620 -10.786 241 H ARG 37 HN ARG 37 42.023 5.000 -7.770 242 HA ARG 37 HA ARG 37 43.907 2.906 -8.212 243 HB2 ARG 37 HB2 ARG 37 43.709 4.928 -5.968 244 HB3 ARG 37 HB1 ARG 37 45.116 3.925 -6.319 245 HG2 ARG 37 HG2 ARG 37 43.891 5.860 -8.304 246 HG3 ARG 37 HG1 ARG 37 45.261 6.253 -7.268 247 HD2 ARG 37 HD2 ARG 37 45.168 4.030 -9.329 248 HD3 ARG 37 HD1 ARG 37 46.057 5.536 -9.468 249 HE ARG 37 HE ARG 37 46.814 3.230 -7.898 250 HH11 ARG 37 HH11 ARG 37 47.126 6.679 -8.313 251 HH12 ARG 37 HH12 ARG 37 48.650 6.758 -7.514 252 HH21 ARG 37 HH21 ARG 37 48.810 3.367 -6.846 253 HH22 ARG 37 HH22 ARG 37 49.602 4.900 -6.685 254 H ARG 38 HN ARG 38 44.538 1.241 -6.824 255 HA ARG 38 HA ARG 38 42.415 0.369 -4.961 256 HB2 ARG 38 HB2 ARG 38 44.464 -1.239 -6.506 257 HB3 ARG 38 HB1 ARG 38 43.323 -1.915 -5.342 258 HG2 ARG 38 HG2 ARG 38 41.439 -1.057 -6.689 259 HG3 ARG 38 HG1 ARG 38 42.581 -0.400 -7.862 260 HD2 ARG 38 HD2 ARG 38 43.459 -2.683 -8.259 261 HD3 ARG 38 HD1 ARG 38 42.272 -3.325 -7.129 262 HE ARG 38 HE ARG 38 41.778 -2.440 -9.840 263 HH11 ARG 38 HH11 ARG 38 40.402 -3.012 -6.685 264 HH12 ARG 38 HH12 ARG 38 38.803 -3.227 -7.291 265 HH21 ARG 38 HH21 ARG 38 39.672 -2.723 -10.600 266 HH22 ARG 38 HH22 ARG 38 38.386 -3.065 -9.492 267 H ALA 39 HN ALA 39 42.901 -0.034 -2.874 268 HA ALA 39 HA ALA 39 45.741 -0.020 -2.074 269 HB1 ALA 39 HB1 ALA 39 45.041 1.293 -0.046 270 HB2 ALA 39 HB2 ALA 39 43.473 1.534 -0.816 271 HB3 ALA 39 HB3 ALA 39 44.931 2.186 -1.562 272 HA PRO 40 HA PRO 40 43.398 -3.580 -0.223 273 HB2 PRO 40 HB2 PRO 40 45.115 -5.533 -1.044 274 HB3 PRO 40 HB1 PRO 40 43.780 -4.937 -2.047 275 HG2 PRO 40 HG2 PRO 40 46.681 -4.300 -2.181 276 HG3 PRO 40 HG1 PRO 40 45.510 -4.522 -3.491 277 HD2 PRO 40 HD2 PRO 40 46.354 -2.051 -2.597 278 HD3 PRO 40 HD1 PRO 40 44.794 -2.334 -3.400 279 H GLN 41 HN GLN 41 44.422 -2.160 1.594 280 HA GLN 41 HA GLN 41 46.561 -3.744 2.875 281 HB2 GLN 41 HB2 GLN 41 46.220 -0.740 2.814 282 HB3 GLN 41 HB1 GLN 41 47.290 -1.572 3.943 283 HG2 GLN 41 HG2 GLN 41 48.588 -2.506 2.128 284 HG3 GLN 41 HG1 GLN 41 47.442 -1.896 0.936 285 HE21 GLN 41 HE21 GLN 41 50.364 -1.236 1.227 286 HE22 GLN 41 HE22 GLN 41 50.426 0.449 1.412 287 H THR 42 HN THR 42 45.151 -4.922 4.147 288 HA THR 42 HA THR 42 43.045 -3.707 5.670 289 HB THR 42 HB THR 42 42.826 -5.907 6.721 290 HG1 THR 42 HG1 THR 42 45.249 -6.419 5.342 291 HG21 THR 42 HG21 THR 42 41.887 -5.572 4.467 292 HG22 THR 42 HG22 THR 42 42.441 -7.232 4.685 293 HG23 THR 42 HG23 THR 42 43.414 -6.093 3.755 294 H GLY 43 HN GLY 43 42.952 -3.839 8.060 295 HA2 GLY 43 HA2 GLY 43 45.191 -4.121 9.718 296 HA3 GLY 43 HA1 GLY 43 45.088 -2.426 9.250 297 H ILE 44 HN ILE 44 42.740 -1.516 9.470 298 HA ILE 44 HA ILE 44 42.032 -1.574 12.182 299 HB ILE 44 HB ILE 44 40.549 -0.636 9.727 300 HG12 ILE 44 HG12 ILE 44 41.873 0.935 11.950 301 HG13 ILE 44 HG11 ILE 44 42.701 0.506 10.452 302 HG21 ILE 44 HG21 ILE 44 38.883 -1.118 11.368 303 HG22 ILE 44 HG22 ILE 44 39.149 0.621 11.393 304 HG23 ILE 44 HG23 ILE 44 39.856 -0.397 12.647 305 HD11 ILE 44 HD11 ILE 44 41.796 2.724 10.161 306 HD12 ILE 44 HD12 ILE 44 40.213 2.210 10.745 307 HD13 ILE 44 HD13 ILE 44 40.812 1.624 9.194 308 H VAL 45 HN VAL 45 40.497 -3.097 9.352 309 HA VAL 45 HA VAL 45 38.361 -4.309 10.740 310 HB VAL 45 HB VAL 45 39.748 -5.020 8.153 311 HG11 VAL 45 HG11 VAL 45 37.334 -6.254 9.511 312 HG12 VAL 45 HG12 VAL 45 38.798 -7.081 8.963 313 HG13 VAL 45 HG13 VAL 45 37.658 -6.425 7.784 314 HG21 VAL 45 HG21 VAL 45 37.123 -3.681 8.883 315 HG22 VAL 45 HG22 VAL 45 37.579 -4.129 7.239 316 HG23 VAL 45 HG23 VAL 45 38.516 -2.920 8.117 317 H ASP 46 HN ASP 46 41.568 -5.523 9.843 318 HA ASP 46 HA ASP 46 41.239 -8.122 10.879 319 HB2 ASP 46 HB2 ASP 46 43.693 -6.441 10.381 320 HB3 ASP 46 HB1 ASP 46 43.772 -8.106 10.956 321 H GLU 47 HN GLU 47 42.302 -5.087 12.376 322 HA GLU 47 HA GLU 47 43.297 -6.167 14.772 323 HB2 GLU 47 HB2 GLU 47 43.615 -3.824 14.103 324 HB3 GLU 47 HB1 GLU 47 41.886 -3.530 14.295 325 HG2 GLU 47 HG2 GLU 47 43.112 -2.775 16.283 326 HG3 GLU 47 HG1 GLU 47 42.057 -4.124 16.690 327 H CYS 48 HN CYS 48 40.012 -4.882 14.070 328 HA CYS 48 HA CYS 48 38.952 -5.678 16.613 329 HB2 CYS 48 HB2 CYS 48 37.588 -4.912 14.030 330 HB3 CYS 48 HB1 CYS 48 36.761 -5.208 15.545 331 H CYS 49 HN CYS 49 38.924 -7.092 13.372 332 HA CYS 49 HA CYS 49 37.128 -9.181 13.856 333 HB2 CYS 49 HB2 CYS 49 37.836 -8.540 11.592 334 HB3 CYS 49 HB1 CYS 49 39.472 -9.095 11.945 335 H PHE 50 HN PHE 50 40.681 -9.157 14.033 336 HA PHE 50 HA PHE 50 40.693 -11.842 15.112 337 HB2 PHE 50 HB2 PHE 50 42.829 -9.851 14.380 338 HB3 PHE 50 HB1 PHE 50 43.225 -11.357 15.228 339 HD1 PHE 50 HD1 PHE 50 41.740 -9.879 12.177 340 HD2 PHE 50 HD2 PHE 50 43.178 -13.467 14.046 341 HE1 PHE 50 HE1 PHE 50 41.644 -11.040 9.994 342 HE2 PHE 50 HE2 PHE 50 43.088 -14.641 11.860 343 HZ PHE 50 HZ PHE 50 42.323 -13.428 9.834 344 H ARG 51 HN ARG 51 42.250 -8.818 16.189 345 HA ARG 51 HA ARG 51 42.246 -9.683 18.944 346 HB2 ARG 51 HB2 ARG 51 43.061 -7.055 17.687 347 HB3 ARG 51 HB1 ARG 51 43.322 -7.500 19.373 348 HG2 ARG 51 HG2 ARG 51 44.686 -9.420 18.676 349 HG3 ARG 51 HG1 ARG 51 44.400 -9.022 16.982 350 HD2 ARG 51 HD2 ARG 51 46.563 -8.132 17.616 351 HD3 ARG 51 HD1 ARG 51 45.452 -6.787 17.383 352 HE ARG 51 HE ARG 51 45.452 -7.603 20.108 353 HH11 ARG 51 HH11 ARG 51 47.374 -5.947 17.716 354 HH12 ARG 51 HH12 ARG 51 48.188 -4.962 18.875 355 HH21 ARG 51 HH21 ARG 51 46.536 -6.297 21.607 356 HH22 ARG 51 HH22 ARG 51 47.718 -5.155 21.065 357 H SER 52 HN SER 52 41.368 -8.289 20.684 358 HA SER 52 HA SER 52 38.652 -7.452 19.991 359 HB2 SER 52 HB2 SER 52 40.042 -7.849 22.648 360 HB3 SER 52 HB1 SER 52 38.372 -7.316 22.475 361 HG SER 52 HG SER 52 39.545 -9.764 21.657 362 H CYS 53 HN CYS 53 39.180 -5.495 18.888 363 HA CYS 53 HA CYS 53 40.724 -3.423 20.072 364 HB2 CYS 53 HB2 CYS 53 39.791 -2.007 18.305 365 HB3 CYS 53 HB1 CYS 53 40.282 -3.559 17.645 366 H ASP 54 HN ASP 54 40.035 -1.478 21.042 367 HA ASP 54 HA ASP 54 37.991 -1.743 22.965 368 HB2 ASP 54 HB2 ASP 54 39.462 0.677 21.909 369 HB3 ASP 54 HB1 ASP 54 38.318 0.751 23.248 370 H LEU 55 HN LEU 55 35.892 -1.099 23.029 371 HA LEU 55 HA LEU 55 34.445 -0.824 20.611 372 HB2 LEU 55 HB2 LEU 55 33.697 -0.300 23.496 373 HB3 LEU 55 HB1 LEU 55 32.547 -0.186 22.163 374 HG LEU 55 HG LEU 55 34.219 -2.658 22.676 375 HD11 LEU 55 HD11 LEU 55 31.347 -2.147 23.507 376 HD12 LEU 55 HD12 LEU 55 32.719 -2.116 24.614 377 HD13 LEU 55 HD13 LEU 55 32.282 -3.615 23.794 378 HD21 LEU 55 HD21 LEU 55 31.816 -1.985 20.958 379 HD22 LEU 55 HD22 LEU 55 32.263 -3.649 21.333 380 HD23 LEU 55 HD23 LEU 55 33.378 -2.619 20.438 381 H ARG 56 HN ARG 56 35.592 1.519 22.996 382 HA ARG 56 HA ARG 56 34.257 3.782 22.008 383 HB2 ARG 56 HB2 ARG 56 35.425 3.743 24.175 384 HB3 ARG 56 HB1 ARG 56 36.974 3.630 23.339 385 HG2 ARG 56 HG2 ARG 56 36.603 5.790 22.271 386 HG3 ARG 56 HG1 ARG 56 34.995 5.899 22.988 387 HD2 ARG 56 HD2 ARG 56 37.545 5.677 24.602 388 HD3 ARG 56 HD1 ARG 56 36.761 7.206 24.221 389 HE ARG 56 HE ARG 56 34.830 5.552 25.388 390 HH11 ARG 56 HH11 ARG 56 37.863 7.055 26.229 391 HH12 ARG 56 HH12 ARG 56 37.467 7.198 27.901 392 HH21 ARG 56 HH21 ARG 56 34.337 5.757 27.589 393 HH22 ARG 56 HH22 ARG 56 35.484 6.470 28.671 394 H ARG 57 HN ARG 57 37.458 2.432 21.171 395 HA ARG 57 HA ARG 57 38.214 4.431 19.368 396 HB2 ARG 57 HB2 ARG 57 39.690 2.656 20.341 397 HB3 ARG 57 HB1 ARG 57 38.937 1.506 19.232 398 HG2 ARG 57 HG2 ARG 57 39.705 2.720 17.322 399 HG3 ARG 57 HG1 ARG 57 40.222 4.074 18.323 400 HD2 ARG 57 HD2 ARG 57 42.202 2.832 17.805 401 HD3 ARG 57 HD1 ARG 57 41.799 2.486 19.486 402 HE ARG 57 HE ARG 57 40.590 0.538 17.844 403 HH11 ARG 57 HH11 ARG 57 43.738 1.607 18.901 404 HH12 ARG 57 HH12 ARG 57 44.448 0.040 18.769 405 HH21 ARG 57 HH21 ARG 57 41.553 -1.504 17.675 406 HH22 ARG 57 HH22 ARG 57 43.223 -1.712 18.082 407 H LEU 58 HN LEU 58 36.357 1.463 18.951 408 HA LEU 58 HA LEU 58 36.190 1.448 16.149 409 HB2 LEU 58 HB2 LEU 58 35.459 -0.391 17.746 410 HB3 LEU 58 HB1 LEU 58 33.991 0.552 18.017 411 HG LEU 58 HG LEU 58 33.871 0.598 15.392 412 HD11 LEU 58 HD11 LEU 58 35.237 -2.071 15.675 413 HD12 LEU 58 HD12 LEU 58 36.198 -0.630 15.394 414 HD13 LEU 58 HD13 LEU 58 34.968 -1.102 14.226 415 HD21 LEU 58 HD21 LEU 58 32.156 -0.458 16.681 416 HD22 LEU 58 HD22 LEU 58 33.231 -1.776 17.148 417 HD23 LEU 58 HD23 LEU 58 32.673 -1.642 15.480 418 H ASP 59 HN ASP 59 34.325 3.187 18.590 419 HA ASP 59 HA ASP 59 32.199 4.066 17.003 420 HB2 ASP 59 HB2 ASP 59 32.410 4.343 19.487 421 HB3 ASP 59 HB1 ASP 59 33.556 5.647 19.191 422 H MET 60 HN MET 60 35.479 5.343 17.350 423 HA MET 60 HA MET 60 35.091 7.767 15.969 424 HB2 MET 60 HB2 MET 60 37.538 6.038 16.355 425 HB3 MET 60 HB1 MET 60 37.589 7.611 15.559 426 HG2 MET 60 HG2 MET 60 36.472 8.577 17.622 427 HG3 MET 60 HG1 MET 60 36.739 7.021 18.405 428 HE1 MET 60 HE1 MET 60 39.224 6.363 19.536 429 HE2 MET 60 HE2 MET 60 40.495 6.520 18.325 430 HE3 MET 60 HE3 MET 60 38.949 5.806 17.880 431 H TYR 61 HN TYR 61 35.011 4.561 14.819 432 HA TYR 61 HA TYR 61 36.047 5.040 12.196 433 HB2 TYR 61 HB2 TYR 61 34.357 2.816 13.356 434 HB3 TYR 61 HB1 TYR 61 34.966 2.798 11.709 435 HD1 TYR 61 HD1 TYR 61 37.435 4.527 13.445 436 HD2 TYR 61 HD2 TYR 61 35.792 0.563 13.142 437 HE1 TYR 61 HE1 TYR 61 39.539 3.586 14.325 438 HE2 TYR 61 HE2 TYR 61 37.908 -0.371 14.021 439 HH TYR 61 HH TYR 61 40.691 1.079 13.998 440 H CYS 62 HN CYS 62 33.006 5.478 13.769 441 HA CYS 62 HA CYS 62 31.314 5.458 11.495 442 HB2 CYS 62 HB2 CYS 62 30.984 6.944 14.110 443 HB3 CYS 62 HB1 CYS 62 29.711 6.603 12.938 444 H ALA 63 HN ALA 63 30.110 7.510 10.823 445 HA ALA 63 HA ALA 63 32.001 9.305 9.729 446 HB1 ALA 63 HB1 ALA 63 29.884 10.544 8.993 447 HB2 ALA 63 HB2 ALA 63 28.990 9.237 9.768 448 HB3 ALA 63 HB3 ALA 63 30.073 8.888 8.420 449 HA PRO 64 HA PRO 64 32.070 12.417 12.864 450 HB2 PRO 64 HB2 PRO 64 32.647 14.627 11.392 451 HB3 PRO 64 HB1 PRO 64 33.822 13.325 11.666 452 HG2 PRO 64 HG2 PRO 64 32.149 13.896 9.274 453 HG3 PRO 64 HG1 PRO 64 33.822 13.321 9.374 454 HD2 PRO 64 HD2 PRO 64 31.651 11.672 8.876 455 HD3 PRO 64 HD1 PRO 64 33.180 11.105 9.576 456 H LEU 65 HN LEU 65 30.984 14.306 13.689 457 HA LEU 65 HA LEU 65 28.592 15.184 12.235 458 HB2 LEU 65 HB2 LEU 65 27.180 14.856 14.222 459 HB3 LEU 65 HB1 LEU 65 27.832 13.325 13.642 460 HG LEU 65 HG LEU 65 29.795 14.032 15.368 461 HD11 LEU 65 HD11 LEU 65 28.452 14.768 17.465 462 HD12 LEU 65 HD12 LEU 65 27.248 15.346 16.311 463 HD13 LEU 65 HD13 LEU 65 28.890 15.997 16.281 464 HD21 LEU 65 HD21 LEU 65 27.191 12.615 15.986 465 HD22 LEU 65 HD22 LEU 65 28.632 12.527 16.998 466 HD23 LEU 65 HD23 LEU 65 28.666 11.881 15.356 467 H LYS 66 HN LYS 66 27.645 17.123 13.134 468 HA LYS 66 HA LYS 66 29.690 18.929 14.052 469 HB2 LYS 66 HB2 LYS 66 28.051 20.678 13.739 470 HB3 LYS 66 HB1 LYS 66 27.979 19.583 12.362 471 HG2 LYS 66 HG2 LYS 66 26.048 18.425 13.390 472 HG3 LYS 66 HG1 LYS 66 26.120 19.527 14.761 473 HD2 LYS 66 HD2 LYS 66 25.720 21.438 13.259 474 HD3 LYS 66 HD1 LYS 66 25.648 20.338 11.880 475 HE2 LYS 66 HE2 LYS 66 23.731 19.175 12.896 476 HE3 LYS 66 HE1 LYS 66 23.802 20.262 14.283 477 HZ1 LYS 66 HZ1 LYS 66 23.304 22.109 12.892 478 HZ2 LYS 66 HZ2 LYS 66 22.149 20.905 12.577 479 HZ3 LYS 66 HZ3 LYS 66 23.424 21.169 11.486 480 HA PRO 67 HA PRO 67 28.947 19.028 18.396 481 HB2 PRO 67 HB2 PRO 67 28.531 21.975 18.225 482 HB3 PRO 67 HB1 PRO 67 29.705 21.054 19.186 483 HG2 PRO 67 HG2 PRO 67 30.474 22.403 17.044 484 HG3 PRO 67 HG1 PRO 67 31.164 20.809 17.413 485 HD2 PRO 67 HD2 PRO 67 29.079 21.533 15.366 486 HD3 PRO 67 HD1 PRO 67 30.431 20.381 15.249 487 H ALA 68 HN ALA 68 27.239 18.886 19.821 488 HA ALA 68 HA ALA 68 24.598 18.953 18.848 489 HB1 ALA 68 HB1 ALA 68 25.783 18.777 21.607 490 HB2 ALA 68 HB2 ALA 68 24.969 17.521 20.675 491 HB3 ALA 68 HB3 ALA 68 24.037 18.848 21.368 492 H LYS 69 HN LYS 69 26.446 21.260 20.779 493 HA LYS 69 HA LYS 69 24.327 23.041 21.331 494 HB2 LYS 69 HB2 LYS 69 26.466 23.123 22.535 495 HB3 LYS 69 HB1 LYS 69 27.288 23.617 21.056 496 HG2 LYS 69 HG2 LYS 69 26.847 25.597 22.395 497 HG3 LYS 69 HG1 LYS 69 25.806 25.643 20.978 498 HD2 LYS 69 HD2 LYS 69 23.919 24.820 22.276 499 HD3 LYS 69 HD1 LYS 69 24.949 24.598 23.689 500 HE2 LYS 69 HE2 LYS 69 25.393 27.028 23.740 501 HE3 LYS 69 HE1 LYS 69 24.355 27.245 22.331 502 HZ1 LYS 69 HZ1 LYS 69 23.419 25.987 24.844 503 HZ2 LYS 69 HZ2 LYS 69 22.478 26.537 23.541 504 HZ3 LYS 69 HZ3 LYS 69 23.281 27.649 24.543 505 H SER 70 HN SER 70 23.370 24.595 20.156 506 HA SER 70 HA SER 70 24.539 25.251 17.519 507 HB2 SER 70 HB2 SER 70 21.615 24.879 18.209 508 HB3 SER 70 HB1 SER 70 22.224 25.458 16.661 509 HG SER 70 HG SER 70 22.085 23.328 16.344 510 H ALA 71 HN ALA 71 24.343 27.381 16.826 511 HA ALA 71 HA ALA 71 24.290 29.370 18.855 512 HB1 ALA 71 HB1 ALA 71 25.635 29.743 16.900 513 HB2 ALA 71 HB2 ALA 71 24.360 30.961 16.901 514 HB3 ALA 71 HB3 ALA 71 24.240 29.558 15.838 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 33.892 -19.514 30.810 2 H2 GLY 1 HT2 GLY 1 32.227 -19.605 31.132 3 H3 GLY 1 HT3 GLY 1 33.016 -18.101 31.141 4 HA2 GLY 1 HA2 GLY 1 31.967 -19.618 28.928 5 HA3 GLY 1 HA1 GLY 1 32.290 -17.887 29.057 6 H GLY 2 HN GLY 2 33.754 -17.235 27.626 7 HA2 GLY 2 HA2 GLY 2 36.382 -18.261 27.494 8 HA3 GLY 2 HA1 GLY 2 35.450 -18.898 26.143 9 HA PRO 3 HA PRO 3 37.253 -14.646 25.127 10 HB2 PRO 3 HB2 PRO 3 38.257 -16.160 22.779 11 HB3 PRO 3 HB1 PRO 3 39.115 -15.025 23.838 12 HG2 PRO 3 HG2 PRO 3 39.587 -17.635 23.956 13 HG3 PRO 3 HG1 PRO 3 39.561 -16.638 25.424 14 HD2 PRO 3 HD2 PRO 3 37.425 -18.447 24.338 15 HD3 PRO 3 HD1 PRO 3 37.989 -18.266 26.017 16 H GLU 4 HN GLU 4 36.506 -13.286 23.475 17 HA GLU 4 HA GLU 4 34.688 -14.358 21.459 18 HB2 GLU 4 HB2 GLU 4 33.234 -13.908 23.389 19 HB3 GLU 4 HB1 GLU 4 33.848 -12.256 23.472 20 HG2 GLU 4 HG2 GLU 4 31.674 -12.382 22.274 21 HG3 GLU 4 HG1 GLU 4 32.967 -11.782 21.238 22 H THR 5 HN THR 5 34.982 -13.363 19.595 23 HA THR 5 HA THR 5 36.043 -10.603 19.572 24 HB THR 5 HB THR 5 37.454 -11.192 17.649 25 HG1 THR 5 HG1 THR 5 36.696 -13.862 18.205 26 HG21 THR 5 HG21 THR 5 38.385 -11.341 19.927 27 HG22 THR 5 HG22 THR 5 39.099 -12.558 18.869 28 HG23 THR 5 HG23 THR 5 37.856 -13.020 20.033 29 H LEU 6 HN LEU 6 35.634 -9.439 17.545 30 HA LEU 6 HA LEU 6 33.082 -10.309 16.331 31 HB2 LEU 6 HB2 LEU 6 34.272 -7.531 16.549 32 HB3 LEU 6 HB1 LEU 6 32.704 -7.930 15.850 33 HG LEU 6 HG LEU 6 33.497 -8.530 18.714 34 HD11 LEU 6 HD11 LEU 6 32.181 -6.630 19.358 35 HD12 LEU 6 HD12 LEU 6 31.590 -6.400 17.712 36 HD13 LEU 6 HD13 LEU 6 33.279 -6.066 18.097 37 HD21 LEU 6 HD21 LEU 6 30.968 -8.808 18.895 38 HD22 LEU 6 HD22 LEU 6 31.797 -10.055 17.967 39 HD23 LEU 6 HD23 LEU 6 30.923 -8.771 17.133 40 H CYS 7 HN CYS 7 33.245 -11.075 14.328 41 HA CYS 7 HA CYS 7 34.814 -9.685 12.336 42 HB2 CYS 7 HB2 CYS 7 36.452 -11.244 13.486 43 HB3 CYS 7 HB1 CYS 7 35.483 -12.583 12.875 44 H GLY 8 HN GLY 8 33.985 -9.988 10.315 45 HA2 GLY 8 HA2 GLY 8 32.851 -11.216 8.616 46 HA3 GLY 8 HA1 GLY 8 32.116 -12.215 9.866 47 H ALA 9 HN ALA 9 30.011 -11.889 9.130 48 HA ALA 9 HA ALA 9 28.841 -9.408 8.519 49 HB1 ALA 9 HB1 ALA 9 27.784 -12.084 9.332 50 HB2 ALA 9 HB2 ALA 9 27.524 -11.182 7.838 51 HB3 ALA 9 HB3 ALA 9 26.685 -10.702 9.317 52 H GLU 10 HN GLU 10 29.212 -11.130 11.587 53 HA GLU 10 HA GLU 10 27.525 -9.528 13.160 54 HB2 GLU 10 HB2 GLU 10 30.029 -11.077 13.841 55 HB3 GLU 10 HB1 GLU 10 29.022 -10.291 15.057 56 HG2 GLU 10 HG2 GLU 10 27.094 -11.619 14.377 57 HG3 GLU 10 HG1 GLU 10 28.019 -12.338 13.059 58 H LEU 11 HN LEU 11 30.962 -9.168 12.324 59 HA LEU 11 HA LEU 11 31.465 -6.924 13.966 60 HB2 LEU 11 HB2 LEU 11 33.268 -8.249 12.960 61 HB3 LEU 11 HB1 LEU 11 32.765 -7.735 11.350 62 HG LEU 11 HG LEU 11 33.202 -5.369 11.998 63 HD11 LEU 11 HD11 LEU 11 32.887 -5.413 14.364 64 HD12 LEU 11 HD12 LEU 11 34.598 -5.067 14.111 65 HD13 LEU 11 HD13 LEU 11 34.084 -6.690 14.568 66 HD21 LEU 11 HD21 LEU 11 35.744 -5.667 12.242 67 HD22 LEU 11 HD22 LEU 11 34.980 -6.418 10.842 68 HD23 LEU 11 HD23 LEU 11 35.426 -7.403 12.236 69 H VAL 12 HN VAL 12 30.511 -7.181 10.545 70 HA VAL 12 HA VAL 12 30.496 -4.433 9.997 71 HB VAL 12 HB VAL 12 29.062 -6.779 8.763 72 HG11 VAL 12 HG11 VAL 12 27.561 -4.934 8.336 73 HG12 VAL 12 HG12 VAL 12 28.552 -5.088 6.885 74 HG13 VAL 12 HG13 VAL 12 28.902 -3.824 8.063 75 HG21 VAL 12 HG21 VAL 12 31.241 -4.908 7.788 76 HG22 VAL 12 HG22 VAL 12 30.629 -6.328 6.938 77 HG23 VAL 12 HG23 VAL 12 31.510 -6.520 8.454 78 H ASP 13 HN ASP 13 27.901 -6.604 11.059 79 HA ASP 13 HA ASP 13 25.819 -4.706 11.090 80 HB2 ASP 13 HB2 ASP 13 26.249 -7.302 12.573 81 HB3 ASP 13 HB1 ASP 13 24.782 -6.342 12.761 82 H ALA 14 HN ALA 14 28.184 -5.684 13.531 83 HA ALA 14 HA ALA 14 27.116 -4.226 15.692 84 HB1 ALA 14 HB1 ALA 14 29.111 -4.679 16.809 85 HB2 ALA 14 HB2 ALA 14 30.069 -4.623 15.328 86 HB3 ALA 14 HB3 ALA 14 29.015 -6.002 15.646 87 H LEU 15 HN LEU 15 29.382 -3.337 13.121 88 HA LEU 15 HA LEU 15 30.132 -0.816 14.120 89 HB2 LEU 15 HB2 LEU 15 29.944 -1.905 11.308 90 HB3 LEU 15 HB1 LEU 15 30.595 -0.307 11.673 91 HG LEU 15 HG LEU 15 31.634 -2.818 13.005 92 HD11 LEU 15 HD11 LEU 15 33.401 -2.887 11.364 93 HD12 LEU 15 HD12 LEU 15 32.837 -1.395 10.613 94 HD13 LEU 15 HD13 LEU 15 31.877 -2.867 10.476 95 HD21 LEU 15 HD21 LEU 15 33.638 -1.287 13.289 96 HD22 LEU 15 HD22 LEU 15 32.200 -0.774 14.169 97 HD23 LEU 15 HD23 LEU 15 32.638 0.024 12.662 98 H GLN 16 HN GLN 16 27.434 -1.799 12.039 99 HA GLN 16 HA GLN 16 26.462 0.809 11.520 100 HB2 GLN 16 HB2 GLN 16 25.092 -1.884 11.545 101 HB3 GLN 16 HB1 GLN 16 24.304 -0.395 11.021 102 HG2 GLN 16 HG2 GLN 16 26.047 -0.061 9.314 103 HG3 GLN 16 HG1 GLN 16 26.847 -1.542 9.842 104 HE21 GLN 16 HE21 GLN 16 26.511 -2.795 7.942 105 HE22 GLN 16 HE22 GLN 16 24.965 -3.231 7.387 106 H PHE 17 HN PHE 17 25.741 -1.566 14.053 107 HA PHE 17 HA PHE 17 23.656 -0.129 15.311 108 HB2 PHE 17 HB2 PHE 17 23.923 -2.428 15.856 109 HB3 PHE 17 HB1 PHE 17 25.603 -2.189 16.337 110 HD1 PHE 17 HD1 PHE 17 22.069 -1.529 17.267 111 HD2 PHE 17 HD2 PHE 17 26.190 -1.278 18.489 112 HE1 PHE 17 HE1 PHE 17 21.350 -1.025 19.587 113 HE2 PHE 17 HE2 PHE 17 25.462 -0.782 20.811 114 HZ PHE 17 HZ PHE 17 23.047 -0.655 21.358 115 H VAL 18 HN VAL 18 27.130 -0.312 16.078 116 HA VAL 18 HA VAL 18 27.058 1.463 18.264 117 HB VAL 18 HB VAL 18 29.305 0.735 16.373 118 HG11 VAL 18 HG11 VAL 18 29.322 2.246 18.996 119 HG12 VAL 18 HG12 VAL 18 29.842 2.857 17.424 120 HG13 VAL 18 HG13 VAL 18 30.766 1.590 18.228 121 HG21 VAL 18 HG21 VAL 18 28.468 -1.163 17.641 122 HG22 VAL 18 HG22 VAL 18 28.487 -0.223 19.133 123 HG23 VAL 18 HG23 VAL 18 30.003 -0.656 18.345 124 H CYS 19 HN CYS 19 27.915 2.037 14.855 125 HA CYS 19 HA CYS 19 28.362 4.837 15.179 126 HB2 CYS 19 HB2 CYS 19 27.727 3.209 12.699 127 HB3 CYS 19 HB1 CYS 19 28.276 4.877 12.702 128 H GLY 20 HN GLY 20 25.577 2.896 14.279 129 HA2 GLY 20 HA2 GLY 20 23.341 3.400 14.113 130 HA3 GLY 20 HA1 GLY 20 23.686 4.796 15.131 131 H ASP 21 HN ASP 21 22.819 6.520 14.177 132 HA ASP 21 HA ASP 21 22.296 6.824 11.442 133 HB2 ASP 21 HB2 ASP 21 22.621 8.855 13.655 134 HB3 ASP 21 HB1 ASP 21 22.136 9.291 12.016 135 H ARG 22 HN ARG 22 25.136 7.632 13.370 136 HA ARG 22 HA ARG 22 26.443 9.272 11.488 137 HB2 ARG 22 HB2 ARG 22 27.515 7.448 13.645 138 HB3 ARG 22 HB1 ARG 22 28.523 8.555 12.715 139 HG2 ARG 22 HG2 ARG 22 27.280 10.466 13.515 140 HG3 ARG 22 HG1 ARG 22 26.088 9.424 14.295 141 HD2 ARG 22 HD2 ARG 22 29.029 9.441 15.003 142 HD3 ARG 22 HD1 ARG 22 27.812 10.370 15.868 143 HE ARG 22 HE ARG 22 26.914 7.736 15.821 144 HH11 ARG 22 HH11 ARG 22 29.645 9.545 17.030 145 HH12 ARG 22 HH12 ARG 22 29.909 8.483 18.368 146 HH21 ARG 22 HH21 ARG 22 27.284 6.364 17.587 147 HH22 ARG 22 HH22 ARG 22 28.585 6.696 18.683 148 H GLY 23 HN GLY 23 26.377 5.754 11.919 149 HA2 GLY 23 HA2 GLY 23 26.999 4.043 10.507 150 HA3 GLY 23 HA1 GLY 23 26.906 5.213 9.194 151 H PHE 24 HN PHE 24 28.778 3.967 8.370 152 HA PHE 24 HA PHE 24 31.244 5.294 9.112 153 HB2 PHE 24 HB2 PHE 24 32.508 3.227 9.513 154 HB3 PHE 24 HB1 PHE 24 31.218 3.412 10.702 155 HD1 PHE 24 HD1 PHE 24 32.450 1.492 7.841 156 HD2 PHE 24 HD2 PHE 24 29.180 2.046 10.565 157 HE1 PHE 24 HE1 PHE 24 31.495 -0.688 7.145 158 HE2 PHE 24 HE2 PHE 24 28.234 -0.131 9.881 159 HZ PHE 24 HZ PHE 24 29.388 -1.500 8.170 160 H TYR 25 HN TYR 25 33.016 4.745 7.604 161 HA TYR 25 HA TYR 25 32.181 3.458 5.110 162 HB2 TYR 25 HB2 TYR 25 32.741 5.349 3.728 163 HB3 TYR 25 HB1 TYR 25 31.584 5.897 4.941 164 HD1 TYR 25 HD1 TYR 25 35.087 6.010 3.829 165 HD2 TYR 25 HD2 TYR 25 32.283 7.338 6.799 166 HE1 TYR 25 HE1 TYR 25 36.723 7.690 4.616 167 HE2 TYR 25 HE2 TYR 25 33.920 9.030 7.585 168 HH TYR 25 HH TYR 25 36.115 10.253 6.176 169 H PHE 26 HN PHE 26 34.040 3.265 3.575 170 HA PHE 26 HA PHE 26 36.573 2.988 5.081 171 HB2 PHE 26 HB2 PHE 26 35.541 1.375 2.731 172 HB3 PHE 26 HB1 PHE 26 37.118 1.163 3.493 173 HD1 PHE 26 HD1 PHE 26 33.497 0.673 3.839 174 HD2 PHE 26 HD2 PHE 26 37.307 0.268 5.779 175 HE1 PHE 26 HE1 PHE 26 32.469 -0.797 5.550 176 HE2 PHE 26 HE2 PHE 26 36.278 -1.203 7.487 177 HZ PHE 26 HZ PHE 26 33.860 -1.735 7.376 178 H ASN 27 HN ASN 27 38.358 3.961 4.305 179 HA ASN 27 HA ASN 27 38.053 5.685 1.965 180 HB2 ASN 27 HB2 ASN 27 39.026 6.628 4.017 181 HB3 ASN 27 HB1 ASN 27 40.319 5.432 3.958 182 HD21 ASN 27 HD21 ASN 27 39.009 8.306 2.317 183 HD22 ASN 27 HD22 ASN 27 40.412 8.634 1.419 184 H LYS 28 HN LYS 28 38.348 4.620 0.091 185 HA LYS 28 HA LYS 28 39.298 3.268 -1.516 186 HB2 LYS 28 HB2 LYS 28 41.831 4.184 -0.137 187 HB3 LYS 28 HB1 LYS 28 41.713 3.546 -1.776 188 HG2 LYS 28 HG2 LYS 28 40.271 6.029 -0.803 189 HG3 LYS 28 HG1 LYS 28 41.789 6.050 -1.700 190 HD2 LYS 28 HD2 LYS 28 40.661 4.816 -3.558 191 HD3 LYS 28 HD1 LYS 28 39.143 4.932 -2.672 192 HE2 LYS 28 HE2 LYS 28 39.311 7.393 -2.702 193 HE3 LYS 28 HE1 LYS 28 40.815 7.272 -3.616 194 HZ1 LYS 28 HZ1 LYS 28 38.078 6.584 -4.464 195 HZ2 LYS 28 HZ2 LYS 28 39.419 5.869 -5.224 196 HZ3 LYS 28 HZ3 LYS 28 39.224 7.557 -5.248 197 HA PRO 29 HA PRO 29 39.991 -0.145 1.636 198 HB2 PRO 29 HB2 PRO 29 37.835 -1.650 0.838 199 HB3 PRO 29 HB1 PRO 29 37.759 -0.426 2.118 200 HG2 PRO 29 HG2 PRO 29 36.931 -0.241 -0.734 201 HG3 PRO 29 HG1 PRO 29 36.139 0.401 0.716 202 HD2 PRO 29 HD2 PRO 29 37.616 1.962 -0.942 203 HD3 PRO 29 HD1 PRO 29 37.507 2.267 0.806 204 H THR 30 HN THR 30 39.437 0.077 -1.792 205 HA THR 30 HA THR 30 41.142 -2.301 -2.195 206 HB THR 30 HB THR 30 39.789 -2.935 -4.135 207 HG1 THR 30 HG1 THR 30 38.842 -1.166 -4.877 208 HG21 THR 30 HG21 THR 30 39.175 -3.941 -2.015 209 HG22 THR 30 HG22 THR 30 37.698 -3.564 -2.903 210 HG23 THR 30 HG23 THR 30 38.219 -2.525 -1.578 211 H GLY 31 HN GLY 31 42.280 -2.302 -4.263 212 HA2 GLY 31 HA2 GLY 31 42.782 -1.003 -6.320 213 HA3 GLY 31 HA1 GLY 31 42.722 0.435 -5.305 214 H TYR 32 HN TYR 32 44.631 -2.212 -6.389 215 HA TYR 32 HA TYR 32 46.691 -2.188 -4.467 216 HB2 TYR 32 HB2 TYR 32 46.470 -3.994 -6.099 217 HB3 TYR 32 HB1 TYR 32 46.814 -2.872 -7.415 218 HD1 TYR 32 HD1 TYR 32 48.251 -4.219 -4.234 219 HD2 TYR 32 HD2 TYR 32 49.037 -2.454 -8.071 220 HE1 TYR 32 HE1 TYR 32 50.682 -4.578 -3.902 221 HE2 TYR 32 HE2 TYR 32 51.467 -2.812 -7.738 222 HH TYR 32 HH TYR 32 52.843 -4.693 -6.115 223 H GLY 33 HN GLY 33 48.431 -0.906 -4.163 224 HA2 GLY 33 HA2 GLY 33 48.733 1.404 -5.984 225 HA3 GLY 33 HA1 GLY 33 49.151 1.414 -4.275 226 H SER 34 HN SER 34 50.675 1.842 -6.909 227 HA SER 34 HA SER 34 52.815 -0.144 -6.487 228 HB2 SER 34 HB2 SER 34 52.278 1.702 -8.823 229 HB3 SER 34 HB1 SER 34 53.649 0.602 -8.702 230 HG SER 34 HG SER 34 52.373 -1.005 -9.172 231 H SER 35 HN SER 35 51.994 2.899 -5.479 232 HA SER 35 HA SER 35 54.360 4.380 -5.875 233 HB2 SER 35 HB2 SER 35 53.444 5.895 -4.298 234 HB3 SER 35 HB1 SER 35 52.061 5.195 -5.135 235 HG SER 35 HG SER 35 52.298 5.273 -2.625 236 H SER 36 HN SER 36 53.542 1.788 -3.733 237 HA SER 36 HA SER 36 56.248 1.735 -2.704 238 HB2 SER 36 HB2 SER 36 55.631 1.836 -0.354 239 HB3 SER 36 HB1 SER 36 55.105 3.311 -1.161 240 HG SER 36 HG SER 36 53.256 2.770 -0.289 241 H ARG 37 HN ARG 37 56.653 -0.222 -1.415 242 HA ARG 37 HA ARG 37 55.529 -2.520 -2.609 243 HB2 ARG 37 HB2 ARG 37 57.181 -2.155 -0.106 244 HB3 ARG 37 HB1 ARG 37 56.725 -3.735 -0.742 245 HG2 ARG 37 HG2 ARG 37 57.826 -3.202 -2.879 246 HG3 ARG 37 HG1 ARG 37 58.279 -1.614 -2.254 247 HD2 ARG 37 HD2 ARG 37 60.166 -3.158 -2.032 248 HD3 ARG 37 HD1 ARG 37 59.560 -2.723 -0.435 249 HE ARG 37 HE ARG 37 58.886 -4.928 -0.138 250 HH11 ARG 37 HH11 ARG 37 59.622 -4.322 -3.500 251 HH12 ARG 37 HH12 ARG 37 59.519 -5.991 -3.945 252 HH21 ARG 37 HH21 ARG 37 58.754 -7.103 -0.760 253 HH22 ARG 37 HH22 ARG 37 59.030 -7.552 -2.410 254 H ARG 38 HN ARG 38 54.907 -0.903 0.475 255 HA ARG 38 HA ARG 38 53.135 -2.871 1.510 256 HB2 ARG 38 HB2 ARG 38 53.427 0.075 2.131 257 HB3 ARG 38 HB1 ARG 38 52.424 -1.045 3.056 258 HG2 ARG 38 HG2 ARG 38 54.340 -2.373 3.668 259 HG3 ARG 38 HG1 ARG 38 55.385 -1.464 2.573 260 HD2 ARG 38 HD2 ARG 38 53.920 -0.253 4.928 261 HD3 ARG 38 HD1 ARG 38 55.603 -0.768 4.971 262 HE ARG 38 HE ARG 38 55.341 0.966 2.801 263 HH11 ARG 38 HH11 ARG 38 54.974 1.034 6.271 264 HH12 ARG 38 HH12 ARG 38 55.405 2.704 6.403 265 HH21 ARG 38 HH21 ARG 38 55.903 3.152 3.007 266 HH22 ARG 38 HH22 ARG 38 55.927 3.895 4.571 267 H ALA 39 HN ALA 39 50.884 -2.909 1.577 268 HA ALA 39 HA ALA 39 49.532 -1.148 -0.369 269 HB1 ALA 39 HB1 ALA 39 48.376 -3.844 -0.001 270 HB2 ALA 39 HB2 ALA 39 49.948 -3.810 -0.797 271 HB3 ALA 39 HB3 ALA 39 48.599 -2.899 -1.473 272 HA PRO 40 HA PRO 40 46.587 -0.377 2.814 273 HB2 PRO 40 HB2 PRO 40 44.284 -0.021 1.398 274 HB3 PRO 40 HB1 PRO 40 45.622 1.142 1.372 275 HG2 PRO 40 HG2 PRO 40 44.859 -0.910 -0.636 276 HG3 PRO 40 HG1 PRO 40 45.494 0.726 -0.873 277 HD2 PRO 40 HD2 PRO 40 47.020 -1.566 -1.068 278 HD3 PRO 40 HD1 PRO 40 47.677 0.043 -0.700 279 H GLN 41 HN GLN 41 47.028 -2.887 3.205 280 HA GLN 41 HA GLN 41 44.555 -4.426 2.832 281 HB2 GLN 41 HB2 GLN 41 47.338 -5.241 3.688 282 HB3 GLN 41 HB1 GLN 41 45.957 -6.340 3.661 283 HG2 GLN 41 HG2 GLN 41 45.683 -6.060 1.284 284 HG3 GLN 41 HG1 GLN 41 46.868 -4.755 1.247 285 HE21 GLN 41 HE21 GLN 41 46.955 -7.398 -0.194 286 HE22 GLN 41 HE22 GLN 41 48.403 -8.129 0.308 287 H THR 42 HN THR 42 45.414 -2.225 4.929 288 HA THR 42 HA THR 42 44.554 -3.737 7.315 289 HB THR 42 HB THR 42 46.166 -1.183 7.146 290 HG1 THR 42 HG1 THR 42 47.722 -2.561 6.927 291 HG21 THR 42 HG21 THR 42 45.326 -2.883 9.505 292 HG22 THR 42 HG22 THR 42 44.733 -1.264 9.132 293 HG23 THR 42 HG23 THR 42 46.422 -1.503 9.586 294 H GLY 43 HN GLY 43 42.717 -3.135 8.306 295 HA2 GLY 43 HA2 GLY 43 41.591 -0.484 7.926 296 HA3 GLY 43 HA1 GLY 43 40.649 -1.816 7.263 297 H ILE 44 HN ILE 44 39.293 -0.537 9.035 298 HA ILE 44 HA ILE 44 39.719 -1.112 11.771 299 HB ILE 44 HB ILE 44 37.419 -0.400 12.100 300 HG12 ILE 44 HG12 ILE 44 37.161 -0.575 9.077 301 HG13 ILE 44 HG11 ILE 44 36.429 -1.705 10.216 302 HG21 ILE 44 HG21 ILE 44 37.524 1.785 10.960 303 HG22 ILE 44 HG22 ILE 44 38.732 1.150 9.847 304 HG23 ILE 44 HG23 ILE 44 39.118 1.324 11.558 305 HD11 ILE 44 HD11 ILE 44 35.225 0.212 11.270 306 HD12 ILE 44 HD12 ILE 44 34.763 -0.067 9.590 307 HD13 ILE 44 HD13 ILE 44 35.856 1.256 9.997 308 H VAL 45 HN VAL 45 38.231 -2.894 9.162 309 HA VAL 45 HA VAL 45 36.804 -4.793 10.678 310 HB VAL 45 HB VAL 45 38.012 -4.911 7.916 311 HG11 VAL 45 HG11 VAL 45 37.936 -7.199 8.625 312 HG12 VAL 45 HG12 VAL 45 36.460 -6.941 7.689 313 HG13 VAL 45 HG13 VAL 45 36.396 -6.963 9.449 314 HG21 VAL 45 HG21 VAL 45 35.547 -4.838 7.330 315 HG22 VAL 45 HG22 VAL 45 36.149 -3.378 8.113 316 HG23 VAL 45 HG23 VAL 45 35.215 -4.554 9.040 317 H ASP 46 HN ASP 46 40.083 -4.849 9.343 318 HA ASP 46 HA ASP 46 40.757 -7.425 10.304 319 HB2 ASP 46 HB2 ASP 46 42.448 -5.055 9.516 320 HB3 ASP 46 HB1 ASP 46 43.127 -6.609 9.991 321 H GLU 47 HN GLU 47 41.086 -4.176 11.704 322 HA GLU 47 HA GLU 47 42.715 -4.881 13.885 323 HB2 GLU 47 HB2 GLU 47 42.244 -2.561 13.228 324 HB3 GLU 47 HB1 GLU 47 40.563 -2.764 13.718 325 HG2 GLU 47 HG2 GLU 47 41.234 -3.164 16.024 326 HG3 GLU 47 HG1 GLU 47 42.935 -3.097 15.571 327 H CYS 48 HN CYS 48 39.147 -4.615 13.733 328 HA CYS 48 HA CYS 48 38.750 -5.613 16.391 329 HB2 CYS 48 HB2 CYS 48 36.852 -5.349 14.057 330 HB3 CYS 48 HB1 CYS 48 36.392 -5.828 15.685 331 H CYS 49 HN CYS 49 38.626 -7.059 13.160 332 HA CYS 49 HA CYS 49 37.619 -9.573 13.880 333 HB2 CYS 49 HB2 CYS 49 37.753 -8.808 11.545 334 HB3 CYS 49 HB1 CYS 49 39.513 -8.878 11.620 335 H PHE 50 HN PHE 50 40.986 -8.467 13.545 336 HA PHE 50 HA PHE 50 41.965 -11.004 14.533 337 HB2 PHE 50 HB2 PHE 50 43.263 -8.460 13.577 338 HB3 PHE 50 HB1 PHE 50 44.215 -9.741 14.336 339 HD1 PHE 50 HD1 PHE 50 41.876 -8.953 11.561 340 HD2 PHE 50 HD2 PHE 50 44.768 -11.725 13.110 341 HE1 PHE 50 HE1 PHE 50 41.877 -10.144 9.390 342 HE2 PHE 50 HE2 PHE 50 44.775 -12.926 10.940 343 HZ PHE 50 HZ PHE 50 43.332 -12.137 9.079 344 H ARG 51 HN ARG 51 42.705 -7.646 15.489 345 HA ARG 51 HA ARG 51 43.299 -8.450 18.199 346 HB2 ARG 51 HB2 ARG 51 43.175 -5.721 16.898 347 HB3 ARG 51 HB1 ARG 51 43.726 -6.030 18.545 348 HG2 ARG 51 HG2 ARG 51 45.532 -7.434 17.742 349 HG3 ARG 51 HG1 ARG 51 44.937 -7.318 16.085 350 HD2 ARG 51 HD2 ARG 51 46.774 -5.761 16.350 351 HD3 ARG 51 HD1 ARG 51 45.278 -4.850 16.182 352 HE ARG 51 HE ARG 51 45.813 -5.306 18.929 353 HH11 ARG 51 HH11 ARG 51 46.935 -3.479 16.173 354 HH12 ARG 51 HH12 ARG 51 47.550 -2.179 17.134 355 HH21 ARG 51 HH21 ARG 51 46.629 -3.587 20.160 356 HH22 ARG 51 HH22 ARG 51 47.378 -2.238 19.374 357 H SER 52 HN SER 52 42.268 -7.410 20.080 358 HA SER 52 HA SER 52 39.367 -7.393 19.753 359 HB2 SER 52 HB2 SER 52 40.299 -8.685 21.600 360 HB3 SER 52 HB1 SER 52 41.126 -7.258 22.214 361 HG SER 52 HG SER 52 39.284 -6.500 22.959 362 H CYS 53 HN CYS 53 38.726 -5.460 18.902 363 HA CYS 53 HA CYS 53 39.823 -2.966 19.941 364 HB2 CYS 53 HB2 CYS 53 38.531 -1.898 18.193 365 HB3 CYS 53 HB1 CYS 53 39.367 -3.284 17.504 366 H ASP 54 HN ASP 54 38.825 -1.633 21.336 367 HA ASP 54 HA ASP 54 36.537 -2.599 22.792 368 HB2 ASP 54 HB2 ASP 54 38.190 -0.082 22.972 369 HB3 ASP 54 HB1 ASP 54 36.789 -0.378 24.000 370 H LEU 55 HN LEU 55 34.572 -1.367 23.131 371 HA LEU 55 HA LEU 55 33.310 -0.616 20.724 372 HB2 LEU 55 HB2 LEU 55 32.568 -0.146 23.620 373 HB3 LEU 55 HB1 LEU 55 31.509 0.264 22.269 374 HG LEU 55 HG LEU 55 32.661 -2.506 22.691 375 HD11 LEU 55 HD11 LEU 55 30.405 -3.097 23.546 376 HD12 LEU 55 HD12 LEU 55 29.954 -1.393 23.491 377 HD13 LEU 55 HD13 LEU 55 31.220 -1.936 24.593 378 HD21 LEU 55 HD21 LEU 55 31.986 -2.210 20.419 379 HD22 LEU 55 HD22 LEU 55 30.547 -1.302 20.885 380 HD23 LEU 55 HD23 LEU 55 30.635 -3.036 21.191 381 H ARG 56 HN ARG 56 34.792 1.289 23.317 382 HA ARG 56 HA ARG 56 33.982 3.834 22.452 383 HB2 ARG 56 HB2 ARG 56 35.024 3.426 24.643 384 HB3 ARG 56 HB1 ARG 56 36.548 3.033 23.848 385 HG2 ARG 56 HG2 ARG 56 36.681 5.288 22.914 386 HG3 ARG 56 HG1 ARG 56 35.112 5.692 23.612 387 HD2 ARG 56 HD2 ARG 56 36.002 5.350 25.871 388 HD3 ARG 56 HD1 ARG 56 37.563 4.883 25.200 389 HE ARG 56 HE ARG 56 38.019 7.128 24.808 390 HH11 ARG 56 HH11 ARG 56 34.626 6.679 25.517 391 HH12 ARG 56 HH12 ARG 56 34.308 8.375 25.643 392 HH21 ARG 56 HH21 ARG 56 37.563 9.339 24.972 393 HH22 ARG 56 HH22 ARG 56 35.954 9.868 25.333 394 H ARG 57 HN ARG 57 36.917 1.932 21.627 395 HA ARG 57 HA ARG 57 38.018 3.870 19.905 396 HB2 ARG 57 HB2 ARG 57 39.334 2.049 20.873 397 HB3 ARG 57 HB1 ARG 57 38.371 0.868 19.979 398 HG2 ARG 57 HG2 ARG 57 39.103 1.797 17.869 399 HG3 ARG 57 HG1 ARG 57 39.969 3.091 18.701 400 HD2 ARG 57 HD2 ARG 57 40.538 0.180 19.199 401 HD3 ARG 57 HD1 ARG 57 41.375 1.090 17.946 402 HE ARG 57 HE ARG 57 41.601 2.532 20.339 403 HH11 ARG 57 HH11 ARG 57 42.592 -0.538 18.989 404 HH12 ARG 57 HH12 ARG 57 44.025 -0.634 19.954 405 HH21 ARG 57 HH21 ARG 57 43.492 2.376 21.578 406 HH22 ARG 57 HH22 ARG 57 44.531 1.001 21.408 407 H LEU 58 HN LEU 58 35.805 1.151 19.435 408 HA LEU 58 HA LEU 58 35.770 1.060 16.649 409 HB2 LEU 58 HB2 LEU 58 34.602 -0.464 18.402 410 HB3 LEU 58 HB1 LEU 58 33.265 0.676 18.252 411 HG LEU 58 HG LEU 58 33.450 0.336 15.719 412 HD11 LEU 58 HD11 LEU 58 35.256 -1.864 16.743 413 HD12 LEU 58 HD12 LEU 58 35.589 -0.673 15.490 414 HD13 LEU 58 HD13 LEU 58 34.448 -1.973 15.178 415 HD21 LEU 58 HD21 LEU 58 32.607 -1.860 17.622 416 HD22 LEU 58 HD22 LEU 58 32.305 -1.958 15.888 417 HD23 LEU 58 HD23 LEU 58 31.591 -0.652 16.835 418 H ASP 59 HN ASP 59 34.194 3.259 18.870 419 HA ASP 59 HA ASP 59 32.352 4.428 17.074 420 HB2 ASP 59 HB2 ASP 59 33.685 5.496 19.562 421 HB3 ASP 59 HB1 ASP 59 32.437 6.372 18.682 422 H MET 60 HN MET 60 35.779 4.755 17.402 423 HA MET 60 HA MET 60 36.127 7.344 16.323 424 HB2 MET 60 HB2 MET 60 37.932 4.924 16.289 425 HB3 MET 60 HB1 MET 60 38.421 6.528 15.756 426 HG2 MET 60 HG2 MET 60 37.965 7.458 17.958 427 HG3 MET 60 HG1 MET 60 37.331 5.910 18.516 428 HE1 MET 60 HE1 MET 60 40.488 6.800 16.252 429 HE2 MET 60 HE2 MET 60 41.659 7.038 17.546 430 HE3 MET 60 HE3 MET 60 40.219 8.050 17.472 431 H TYR 61 HN TYR 61 35.693 4.181 14.845 432 HA TYR 61 HA TYR 61 36.308 5.060 12.168 433 HB2 TYR 61 HB2 TYR 61 34.674 2.623 12.841 434 HB3 TYR 61 HB1 TYR 61 35.781 2.878 11.496 435 HD1 TYR 61 HD1 TYR 61 35.602 0.827 14.096 436 HD2 TYR 61 HD2 TYR 61 38.141 4.039 12.783 437 HE1 TYR 61 HE1 TYR 61 37.484 -0.116 15.406 438 HE2 TYR 61 HE2 TYR 61 40.019 3.091 14.097 439 HH TYR 61 HH TYR 61 40.733 1.086 15.105 440 H CYS 62 HN CYS 62 33.580 5.377 14.208 441 HA CYS 62 HA CYS 62 31.543 5.340 12.206 442 HB2 CYS 62 HB2 CYS 62 31.623 6.660 14.931 443 HB3 CYS 62 HB1 CYS 62 30.181 6.488 13.936 444 H ALA 63 HN ALA 63 30.467 7.149 11.280 445 HA ALA 63 HA ALA 63 32.176 9.199 10.385 446 HB1 ALA 63 HB1 ALA 63 29.236 9.572 10.143 447 HB2 ALA 63 HB2 ALA 63 29.906 8.112 9.414 448 HB3 ALA 63 HB3 ALA 63 30.495 9.698 8.914 449 HA PRO 64 HA PRO 64 31.531 12.289 13.459 450 HB2 PRO 64 HB2 PRO 64 31.736 14.573 11.991 451 HB3 PRO 64 HB1 PRO 64 33.123 13.522 12.331 452 HG2 PRO 64 HG2 PRO 64 31.484 13.753 9.862 453 HG3 PRO 64 HG1 PRO 64 33.228 13.508 10.043 454 HD2 PRO 64 HD2 PRO 64 31.447 11.485 9.460 455 HD3 PRO 64 HD1 PRO 64 33.012 11.215 10.252 456 H LEU 65 HN LEU 65 30.038 13.822 14.305 457 HA LEU 65 HA LEU 65 27.336 13.441 13.467 458 HB2 LEU 65 HB2 LEU 65 28.594 15.334 15.460 459 HB3 LEU 65 HB1 LEU 65 26.855 15.185 15.218 460 HG LEU 65 HG LEU 65 28.646 12.838 15.899 461 HD11 LEU 65 HD11 LEU 65 26.861 14.470 17.728 462 HD12 LEU 65 HD12 LEU 65 28.625 14.539 17.721 463 HD13 LEU 65 HD13 LEU 65 27.800 13.049 18.183 464 HD21 LEU 65 HD21 LEU 65 26.344 11.939 16.628 465 HD22 LEU 65 HD22 LEU 65 26.626 12.073 14.893 466 HD23 LEU 65 HD23 LEU 65 25.658 13.290 15.727 467 H LYS 66 HN LYS 66 25.929 14.846 12.462 468 HA LYS 66 HA LYS 66 25.350 16.361 10.828 469 HB2 LYS 66 HB2 LYS 66 27.063 18.099 12.617 470 HB3 LYS 66 HB1 LYS 66 25.931 18.694 11.401 471 HG2 LYS 66 HG2 LYS 66 24.083 18.123 12.636 472 HG3 LYS 66 HG1 LYS 66 24.866 16.722 13.366 473 HD2 LYS 66 HD2 LYS 66 24.552 18.405 15.080 474 HD3 LYS 66 HD1 LYS 66 26.272 18.282 14.717 475 HE2 LYS 66 HE2 LYS 66 26.133 20.250 13.258 476 HE3 LYS 66 HE1 LYS 66 24.397 20.361 13.545 477 HZ1 LYS 66 HZ1 LYS 66 25.803 21.856 14.943 478 HZ2 LYS 66 HZ2 LYS 66 26.413 20.470 15.717 479 HZ3 LYS 66 HZ3 LYS 66 24.758 20.845 15.817 480 HA PRO 67 HA PRO 67 29.564 15.972 8.781 481 HB2 PRO 67 HB2 PRO 67 28.777 14.242 6.809 482 HB3 PRO 67 HB1 PRO 67 29.392 13.711 8.385 483 HG2 PRO 67 HG2 PRO 67 26.584 13.900 7.413 484 HG3 PRO 67 HG1 PRO 67 27.351 12.661 8.421 485 HD2 PRO 67 HD2 PRO 67 25.758 14.629 9.453 486 HD3 PRO 67 HD1 PRO 67 27.085 13.884 10.366 487 H ALA 68 HN ALA 68 30.183 16.929 6.800 488 HA ALA 68 HA ALA 68 28.516 18.974 5.826 489 HB1 ALA 68 HB1 ALA 68 30.819 17.803 4.274 490 HB2 ALA 68 HB2 ALA 68 31.073 18.798 5.709 491 HB3 ALA 68 HB3 ALA 68 30.253 19.472 4.302 492 H LYS 69 HN LYS 69 29.228 15.747 4.596 493 HA LYS 69 HA LYS 69 28.260 14.483 2.936 494 HB2 LYS 69 HB2 LYS 69 25.881 16.246 3.569 495 HB3 LYS 69 HB1 LYS 69 25.824 14.716 2.692 496 HG2 LYS 69 HG2 LYS 69 26.839 13.603 4.704 497 HG3 LYS 69 HG1 LYS 69 26.680 15.131 5.570 498 HD2 LYS 69 HD2 LYS 69 24.361 13.685 4.259 499 HD3 LYS 69 HD1 LYS 69 24.773 13.537 5.968 500 HE2 LYS 69 HE2 LYS 69 24.532 16.005 6.208 501 HE3 LYS 69 HE1 LYS 69 24.027 16.094 4.522 502 HZ1 LYS 69 HZ1 LYS 69 22.641 14.796 6.785 503 HZ2 LYS 69 HZ2 LYS 69 22.277 14.400 5.173 504 HZ3 LYS 69 HZ3 LYS 69 22.054 15.989 5.732 505 H SER 70 HN SER 70 29.818 16.602 2.007 506 HA SER 70 HA SER 70 28.458 18.182 0.056 507 HB2 SER 70 HB2 SER 70 30.656 18.841 -0.675 508 HB3 SER 70 HB1 SER 70 30.689 18.733 1.083 509 HG SER 70 HG SER 70 32.063 17.313 -0.782 510 H ALA 71 HN ALA 71 28.806 18.027 -2.280 511 HA ALA 71 HA ALA 71 28.550 16.882 -4.256 512 HB1 ALA 71 HB1 ALA 71 30.818 16.380 -4.298 513 HB2 ALA 71 HB2 ALA 71 30.101 14.770 -4.366 514 HB3 ALA 71 HB3 ALA 71 30.731 15.392 -2.841 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 34.446 -17.896 31.813 2 H2 GLY 1 HT2 GLY 1 32.888 -17.553 32.395 3 H3 GLY 1 HT3 GLY 1 33.990 -16.291 32.114 4 HA2 GLY 1 HA2 GLY 1 32.238 -17.649 30.278 5 HA3 GLY 1 HA1 GLY 1 32.988 -16.058 30.150 6 H GLY 2 HN GLY 2 34.361 -15.888 28.504 7 HA2 GLY 2 HA2 GLY 2 36.567 -17.573 28.068 8 HA3 GLY 2 HA1 GLY 2 35.285 -18.049 26.958 9 HA PRO 3 HA PRO 3 37.868 -14.568 25.112 10 HB2 PRO 3 HB2 PRO 3 37.730 -16.412 22.782 11 HB3 PRO 3 HB1 PRO 3 39.126 -15.551 23.457 12 HG2 PRO 3 HG2 PRO 3 38.856 -18.164 23.782 13 HG3 PRO 3 HG1 PRO 3 39.488 -17.142 25.088 14 HD2 PRO 3 HD2 PRO 3 36.719 -18.265 24.758 15 HD3 PRO 3 HD1 PRO 3 37.722 -18.185 26.226 16 H GLU 4 HN GLU 4 37.145 -13.080 23.595 17 HA GLU 4 HA GLU 4 34.649 -13.575 22.164 18 HB2 GLU 4 HB2 GLU 4 34.114 -12.620 24.450 19 HB3 GLU 4 HB1 GLU 4 34.959 -11.156 23.947 20 HG2 GLU 4 HG2 GLU 4 32.790 -12.331 22.220 21 HG3 GLU 4 HG1 GLU 4 32.375 -11.303 23.590 22 H THR 5 HN THR 5 34.787 -12.789 20.184 23 HA THR 5 HA THR 5 36.254 -10.321 19.642 24 HB THR 5 HB THR 5 37.921 -12.161 19.391 25 HG1 THR 5 HG1 THR 5 38.700 -11.108 17.749 26 HG21 THR 5 HG21 THR 5 37.651 -13.850 17.730 27 HG22 THR 5 HG22 THR 5 36.228 -13.058 17.053 28 HG23 THR 5 HG23 THR 5 36.138 -13.831 18.637 29 H LEU 6 HN LEU 6 35.687 -9.343 17.646 30 HA LEU 6 HA LEU 6 33.181 -10.405 16.490 31 HB2 LEU 6 HB2 LEU 6 34.218 -7.559 16.559 32 HB3 LEU 6 HB1 LEU 6 32.680 -8.079 15.871 33 HG LEU 6 HG LEU 6 33.481 -8.463 18.771 34 HD11 LEU 6 HD11 LEU 6 31.513 -6.499 17.560 35 HD12 LEU 6 HD12 LEU 6 33.137 -6.070 18.098 36 HD13 LEU 6 HD13 LEU 6 31.943 -6.645 19.265 37 HD21 LEU 6 HD21 LEU 6 30.966 -8.889 18.953 38 HD22 LEU 6 HD22 LEU 6 31.889 -10.141 18.125 39 HD23 LEU 6 HD23 LEU 6 30.946 -8.980 17.191 40 H CYS 7 HN CYS 7 33.248 -11.103 14.455 41 HA CYS 7 HA CYS 7 34.893 -9.808 12.464 42 HB2 CYS 7 HB2 CYS 7 36.469 -11.401 13.625 43 HB3 CYS 7 HB1 CYS 7 35.446 -12.721 13.057 44 H GLY 8 HN GLY 8 34.036 -10.060 10.453 45 HA2 GLY 8 HA2 GLY 8 32.885 -11.299 8.756 46 HA3 GLY 8 HA1 GLY 8 32.079 -12.219 10.021 47 H ALA 9 HN ALA 9 30.018 -11.802 9.200 48 HA ALA 9 HA ALA 9 28.997 -9.269 8.531 49 HB1 ALA 9 HB1 ALA 9 27.783 -11.895 9.282 50 HB2 ALA 9 HB2 ALA 9 27.608 -10.961 7.796 51 HB3 ALA 9 HB3 ALA 9 26.749 -10.465 9.257 52 H GLU 10 HN GLU 10 29.180 -10.988 11.608 53 HA GLU 10 HA GLU 10 27.503 -9.316 13.116 54 HB2 GLU 10 HB2 GLU 10 29.925 -10.949 13.893 55 HB3 GLU 10 HB1 GLU 10 28.894 -10.128 15.065 56 HG2 GLU 10 HG2 GLU 10 26.966 -11.406 14.362 57 HG3 GLU 10 HG1 GLU 10 27.867 -12.111 13.020 58 H LEU 11 HN LEU 11 30.973 -9.095 12.387 59 HA LEU 11 HA LEU 11 31.519 -6.872 14.034 60 HB2 LEU 11 HB2 LEU 11 33.313 -8.232 13.097 61 HB3 LEU 11 HB1 LEU 11 32.851 -7.758 11.463 62 HG LEU 11 HG LEU 11 33.360 -5.399 11.998 63 HD11 LEU 11 HD11 LEU 11 32.915 -5.285 14.348 64 HD12 LEU 11 HD12 LEU 11 34.648 -5.009 14.168 65 HD13 LEU 11 HD13 LEU 11 34.056 -6.584 14.696 66 HD21 LEU 11 HD21 LEU 11 35.158 -6.670 11.033 67 HD22 LEU 11 HD22 LEU 11 35.526 -7.436 12.578 68 HD23 LEU 11 HD23 LEU 11 35.849 -5.720 12.344 69 H VAL 12 HN VAL 12 30.624 -7.083 10.597 70 HA VAL 12 HA VAL 12 30.686 -4.327 10.069 71 HB VAL 12 HB VAL 12 29.255 -6.641 8.783 72 HG11 VAL 12 HG11 VAL 12 29.125 -3.681 8.108 73 HG12 VAL 12 HG12 VAL 12 27.770 -4.781 8.365 74 HG13 VAL 12 HG13 VAL 12 28.772 -4.940 6.924 75 HG21 VAL 12 HG21 VAL 12 30.841 -6.018 6.946 76 HG22 VAL 12 HG22 VAL 12 31.654 -6.490 8.439 77 HG23 VAL 12 HG23 VAL 12 31.521 -4.784 8.007 78 H ASP 13 HN ASP 13 28.031 -6.443 11.080 79 HA ASP 13 HA ASP 13 25.990 -4.501 11.083 80 HB2 ASP 13 HB2 ASP 13 26.343 -7.114 12.549 81 HB3 ASP 13 HB1 ASP 13 24.895 -6.122 12.732 82 H ALA 14 HN ALA 14 28.319 -5.506 13.545 83 HA ALA 14 HA ALA 14 27.241 -4.066 15.709 84 HB1 ALA 14 HB1 ALA 14 30.187 -4.540 15.248 85 HB2 ALA 14 HB2 ALA 14 29.089 -5.819 15.772 86 HB3 ALA 14 HB3 ALA 14 29.336 -4.397 16.786 87 H LEU 15 HN LEU 15 29.500 -3.141 13.142 88 HA LEU 15 HA LEU 15 30.200 -0.601 14.143 89 HB2 LEU 15 HB2 LEU 15 30.074 -1.709 11.335 90 HB3 LEU 15 HB1 LEU 15 30.680 -0.093 11.700 91 HG LEU 15 HG LEU 15 31.760 -2.579 13.049 92 HD11 LEU 15 HD11 LEU 15 33.592 -2.537 11.449 93 HD12 LEU 15 HD12 LEU 15 32.920 -1.112 10.657 94 HD13 LEU 15 HD13 LEU 15 32.076 -2.658 10.554 95 HD21 LEU 15 HD21 LEU 15 32.279 -0.580 14.264 96 HD22 LEU 15 HD22 LEU 15 32.637 0.312 12.786 97 HD23 LEU 15 HD23 LEU 15 33.727 -0.959 13.335 98 H GLN 16 HN GLN 16 27.553 -1.639 12.008 99 HA GLN 16 HA GLN 16 26.533 0.954 11.518 100 HB2 GLN 16 HB2 GLN 16 25.987 -1.079 10.173 101 HB3 GLN 16 HB1 GLN 16 25.019 -1.665 11.527 102 HG2 GLN 16 HG2 GLN 16 23.582 -0.522 9.916 103 HG3 GLN 16 HG1 GLN 16 23.654 0.395 11.418 104 HE21 GLN 16 HE21 GLN 16 23.730 2.591 10.923 105 HE22 GLN 16 HE22 GLN 16 24.656 3.273 9.673 106 H PHE 17 HN PHE 17 25.850 -1.492 13.980 107 HA PHE 17 HA PHE 17 23.650 -0.234 15.202 108 HB2 PHE 17 HB2 PHE 17 24.128 -2.498 15.770 109 HB3 PHE 17 HB1 PHE 17 25.771 -2.098 16.273 110 HD1 PHE 17 HD1 PHE 17 22.173 -1.724 17.141 111 HD2 PHE 17 HD2 PHE 17 26.239 -1.166 18.431 112 HE1 PHE 17 HE1 PHE 17 21.381 -1.274 19.451 113 HE2 PHE 17 HE2 PHE 17 25.444 -0.726 20.738 114 HZ PHE 17 HZ PHE 17 23.017 -0.779 21.249 115 H VAL 18 HN VAL 18 27.116 -0.090 16.047 116 HA VAL 18 HA VAL 18 26.813 1.689 18.214 117 HB VAL 18 HB VAL 18 29.173 1.139 16.407 118 HG11 VAL 18 HG11 VAL 18 29.499 3.306 17.437 119 HG12 VAL 18 HG12 VAL 18 30.487 2.134 18.309 120 HG13 VAL 18 HG13 VAL 18 28.961 2.687 18.998 121 HG21 VAL 18 HG21 VAL 18 29.922 -0.256 18.283 122 HG22 VAL 18 HG22 VAL 18 28.325 -0.776 17.749 123 HG23 VAL 18 HG23 VAL 18 28.494 0.196 19.211 124 H CYS 19 HN CYS 19 27.676 2.274 14.818 125 HA CYS 19 HA CYS 19 27.919 5.100 15.065 126 HB2 CYS 19 HB2 CYS 19 27.386 3.357 12.643 127 HB3 CYS 19 HB1 CYS 19 27.755 5.072 12.584 128 H GLY 20 HN GLY 20 25.248 2.971 14.250 129 HA2 GLY 20 HA2 GLY 20 22.986 3.350 14.109 130 HA3 GLY 20 HA1 GLY 20 23.267 4.768 15.115 131 H ASP 21 HN ASP 21 22.345 6.462 14.177 132 HA ASP 21 HA ASP 21 21.718 6.733 11.462 133 HB2 ASP 21 HB2 ASP 21 22.072 8.787 13.650 134 HB3 ASP 21 HB1 ASP 21 21.505 9.196 12.032 135 H ARG 22 HN ARG 22 24.594 7.645 13.275 136 HA ARG 22 HA ARG 22 25.792 9.304 11.341 137 HB2 ARG 22 HB2 ARG 22 27.017 7.508 13.447 138 HB3 ARG 22 HB1 ARG 22 27.930 8.679 12.495 139 HG2 ARG 22 HG2 ARG 22 26.627 10.512 13.373 140 HG3 ARG 22 HG1 ARG 22 25.515 9.403 14.173 141 HD2 ARG 22 HD2 ARG 22 28.474 9.602 14.792 142 HD3 ARG 22 HD1 ARG 22 27.207 10.386 15.731 143 HE ARG 22 HE ARG 22 26.542 7.682 15.586 144 HH11 ARG 22 HH11 ARG 22 29.126 9.668 16.831 145 HH12 ARG 22 HH12 ARG 22 29.509 8.572 18.113 146 HH21 ARG 22 HH21 ARG 22 27.072 6.267 17.272 147 HH22 ARG 22 HH22 ARG 22 28.358 6.662 18.361 148 H GLY 23 HN GLY 23 25.832 5.787 11.786 149 HA2 GLY 23 HA2 GLY 23 26.405 4.089 10.339 150 HA3 GLY 23 HA1 GLY 23 26.334 5.273 9.037 151 H PHE 24 HN PHE 24 28.211 3.766 8.390 152 HA PHE 24 HA PHE 24 30.678 5.172 9.020 153 HB2 PHE 24 HB2 PHE 24 31.926 3.193 9.653 154 HB3 PHE 24 HB1 PHE 24 30.545 3.362 10.733 155 HD1 PHE 24 HD1 PHE 24 32.167 1.312 8.225 156 HD2 PHE 24 HD2 PHE 24 28.479 1.979 10.323 157 HE1 PHE 24 HE1 PHE 24 31.369 -0.932 7.541 158 HE2 PHE 24 HE2 PHE 24 27.685 -0.267 9.646 159 HZ PHE 24 HZ PHE 24 29.130 -1.722 8.254 160 H TYR 25 HN TYR 25 32.462 4.490 7.575 161 HA TYR 25 HA TYR 25 31.632 3.038 5.169 162 HB2 TYR 25 HB2 TYR 25 32.211 4.811 3.661 163 HB3 TYR 25 HB1 TYR 25 31.086 5.486 4.840 164 HD1 TYR 25 HD1 TYR 25 34.543 5.446 3.633 165 HD2 TYR 25 HD2 TYR 25 31.886 6.987 6.634 166 HE1 TYR 25 HE1 TYR 25 36.247 7.121 4.277 167 HE2 TYR 25 HE2 TYR 25 33.591 8.671 7.277 168 HH TYR 25 HH TYR 25 35.999 8.998 7.130 169 H PHE 26 HN PHE 26 33.524 2.802 3.646 170 HA PHE 26 HA PHE 26 36.012 2.494 5.212 171 HB2 PHE 26 HB2 PHE 26 35.022 0.892 2.838 172 HB3 PHE 26 HB1 PHE 26 36.571 0.659 3.647 173 HD1 PHE 26 HD1 PHE 26 32.969 0.106 3.810 174 HD2 PHE 26 HD2 PHE 26 36.649 -0.115 6.016 175 HE1 PHE 26 HE1 PHE 26 31.873 -1.350 5.494 176 HE2 PHE 26 HE2 PHE 26 35.552 -1.570 7.698 177 HZ PHE 26 HZ PHE 26 33.165 -2.187 7.438 178 H ASN 27 HN ASN 27 38.009 2.870 4.137 179 HA ASN 27 HA ASN 27 38.106 5.218 2.616 180 HB2 ASN 27 HB2 ASN 27 40.139 3.016 3.007 181 HB3 ASN 27 HB1 ASN 27 40.491 4.515 2.149 182 HD21 ASN 27 HD21 ASN 27 41.794 3.762 4.631 183 HD22 ASN 27 HD22 ASN 27 41.338 4.896 5.809 184 H LYS 28 HN LYS 28 38.560 5.606 0.434 185 HA LYS 28 HA LYS 28 37.202 3.959 -1.389 186 HB2 LYS 28 HB2 LYS 28 39.177 6.201 -1.821 187 HB3 LYS 28 HB1 LYS 28 38.304 5.413 -3.136 188 HG2 LYS 28 HG2 LYS 28 36.159 6.015 -2.086 189 HG3 LYS 28 HG1 LYS 28 37.024 6.799 -0.761 190 HD2 LYS 28 HD2 LYS 28 38.065 8.362 -2.364 191 HD3 LYS 28 HD1 LYS 28 37.194 7.583 -3.687 192 HE2 LYS 28 HE2 LYS 28 35.048 8.186 -2.645 193 HE3 LYS 28 HE1 LYS 28 35.905 8.950 -1.307 194 HZ1 LYS 28 HZ1 LYS 28 35.902 9.766 -4.156 195 HZ2 LYS 28 HZ2 LYS 28 37.002 10.382 -3.018 196 HZ3 LYS 28 HZ3 LYS 28 35.337 10.648 -2.823 197 HA PRO 29 HA PRO 29 40.222 0.944 -2.519 198 HB2 PRO 29 HB2 PRO 29 39.629 0.558 -5.169 199 HB3 PRO 29 HB1 PRO 29 38.640 -0.075 -3.840 200 HG2 PRO 29 HG2 PRO 29 38.220 2.331 -5.540 201 HG3 PRO 29 HG1 PRO 29 37.041 1.159 -4.924 202 HD2 PRO 29 HD2 PRO 29 37.403 3.616 -3.798 203 HD3 PRO 29 HD1 PRO 29 36.878 2.197 -2.865 204 H THR 30 HN THR 30 40.088 3.975 -4.187 205 HA THR 30 HA THR 30 42.273 3.723 -5.941 206 HB THR 30 HB THR 30 41.280 6.182 -4.479 207 HG1 THR 30 HG1 THR 30 40.114 6.478 -6.406 208 HG21 THR 30 HG21 THR 30 42.319 7.367 -6.426 209 HG22 THR 30 HG22 THR 30 43.028 5.832 -6.927 210 HG23 THR 30 HG23 THR 30 43.495 6.559 -5.389 211 H GLY 31 HN GLY 31 44.425 3.703 -5.633 212 HA2 GLY 31 HA2 GLY 31 46.325 4.726 -4.392 213 HA3 GLY 31 HA1 GLY 31 45.435 4.336 -2.922 214 H TYR 32 HN TYR 32 45.650 2.255 -5.754 215 HA TYR 32 HA TYR 32 46.425 0.009 -4.204 216 HB2 TYR 32 HB2 TYR 32 46.356 0.495 -7.182 217 HB3 TYR 32 HB1 TYR 32 46.805 -1.056 -6.472 218 HD1 TYR 32 HD1 TYR 32 44.069 1.272 -7.167 219 HD2 TYR 32 HD2 TYR 32 45.171 -2.345 -5.126 220 HE1 TYR 32 HE1 TYR 32 41.672 0.692 -6.896 221 HE2 TYR 32 HE2 TYR 32 42.775 -2.923 -4.855 222 HH TYR 32 HH TYR 32 40.649 -2.427 -5.794 223 H GLY 33 HN GLY 33 48.387 -0.970 -3.925 224 HA2 GLY 33 HA2 GLY 33 50.730 0.665 -4.147 225 HA3 GLY 33 HA1 GLY 33 50.674 -1.002 -3.581 226 H SER 34 HN SER 34 52.704 0.043 -5.273 227 HA SER 34 HA SER 34 52.151 -1.429 -7.782 228 HB2 SER 34 HB2 SER 34 53.766 0.048 -8.882 229 HB3 SER 34 HB1 SER 34 52.464 0.986 -8.157 230 HG SER 34 HG SER 34 55.146 0.866 -7.532 231 H SER 35 HN SER 35 54.224 -1.003 -5.041 232 HA SER 35 HA SER 35 56.557 -2.279 -5.971 233 HB2 SER 35 HB2 SER 35 56.515 -1.005 -3.894 234 HB3 SER 35 HB1 SER 35 55.375 -2.149 -3.189 235 HG SER 35 HG SER 35 57.631 -2.509 -2.649 236 H SER 36 HN SER 36 53.689 -3.564 -4.314 237 HA SER 36 HA SER 36 54.356 -6.226 -5.378 238 HB2 SER 36 HB2 SER 36 53.703 -7.243 -3.213 239 HB3 SER 36 HB1 SER 36 55.136 -6.231 -3.071 240 HG SER 36 HG SER 36 54.068 -4.978 -1.775 241 H ARG 37 HN ARG 37 52.321 -3.950 -5.844 242 HA ARG 37 HA ARG 37 50.111 -3.777 -6.435 243 HB2 ARG 37 HB2 ARG 37 50.279 -6.800 -6.484 244 HB3 ARG 37 HB1 ARG 37 49.011 -5.824 -7.225 245 HG2 ARG 37 HG2 ARG 37 50.734 -4.699 -8.624 246 HG3 ARG 37 HG1 ARG 37 51.958 -5.766 -7.936 247 HD2 ARG 37 HD2 ARG 37 51.267 -6.732 -10.032 248 HD3 ARG 37 HD1 ARG 37 50.581 -7.720 -8.744 249 HE ARG 37 HE ARG 37 48.463 -7.028 -9.396 250 HH11 ARG 37 HH11 ARG 37 50.899 -5.002 -10.858 251 HH12 ARG 37 HH12 ARG 37 49.773 -4.203 -11.902 252 HH21 ARG 37 HH21 ARG 37 47.021 -5.967 -10.771 253 HH22 ARG 37 HH22 ARG 37 47.596 -4.742 -11.853 254 H ARG 38 HN ARG 38 50.546 -3.489 -3.753 255 HA ARG 38 HA ARG 38 49.032 -5.211 -2.090 256 HB2 ARG 38 HB2 ARG 38 49.856 -2.319 -1.775 257 HB3 ARG 38 HB1 ARG 38 49.059 -3.253 -0.508 258 HG2 ARG 38 HG2 ARG 38 50.884 -4.904 -0.560 259 HG3 ARG 38 HG1 ARG 38 51.676 -3.991 -1.846 260 HD2 ARG 38 HD2 ARG 38 51.878 -2.045 -0.360 261 HD3 ARG 38 HD1 ARG 38 51.060 -2.930 0.924 262 HE ARG 38 HE ARG 38 53.297 -4.426 0.079 263 HH11 ARG 38 HH11 ARG 38 52.508 -1.444 1.710 264 HH12 ARG 38 HH12 ARG 38 53.959 -1.439 2.652 265 HH21 ARG 38 HH21 ARG 38 55.181 -4.391 1.329 266 HH22 ARG 38 HH22 ARG 38 55.462 -3.093 2.440 267 H ALA 39 HN ALA 39 46.928 -5.148 -1.420 268 HA ALA 39 HA ALA 39 45.167 -3.123 -2.659 269 HB1 ALA 39 HB1 ALA 39 44.419 -6.031 -2.316 270 HB2 ALA 39 HB2 ALA 39 45.091 -5.383 -3.814 271 HB3 ALA 39 HB3 ALA 39 43.545 -4.786 -3.209 272 HA PRO 40 HA PRO 40 44.511 -3.429 1.932 273 HB2 PRO 40 HB2 PRO 40 44.576 -0.736 2.391 274 HB3 PRO 40 HB1 PRO 40 46.029 -1.755 2.372 275 HG2 PRO 40 HG2 PRO 40 44.953 0.048 0.264 276 HG3 PRO 40 HG1 PRO 40 46.631 -0.248 0.752 277 HD2 PRO 40 HD2 PRO 40 45.493 -1.384 -1.473 278 HD3 PRO 40 HD1 PRO 40 46.823 -2.135 -0.566 279 H GLN 41 HN GLN 41 42.397 -4.123 0.864 280 HA GLN 41 HA GLN 41 40.413 -1.990 0.643 281 HB2 GLN 41 HB2 GLN 41 40.282 -4.961 0.107 282 HB3 GLN 41 HB1 GLN 41 38.897 -3.879 -0.038 283 HG2 GLN 41 HG2 GLN 41 40.006 -2.578 -1.748 284 HG3 GLN 41 HG1 GLN 41 41.510 -3.464 -1.510 285 HE21 GLN 41 HE21 GLN 41 39.766 -3.257 -3.983 286 HE22 GLN 41 HE22 GLN 41 39.406 -4.865 -4.392 287 H THR 42 HN THR 42 41.743 -3.296 3.189 288 HA THR 42 HA THR 42 39.299 -3.146 4.777 289 HB THR 42 HB THR 42 39.485 -5.531 4.247 290 HG1 THR 42 HG1 THR 42 39.180 -6.114 6.276 291 HG21 THR 42 HG21 THR 42 41.842 -5.719 3.762 292 HG22 THR 42 HG22 THR 42 41.489 -6.776 5.129 293 HG23 THR 42 HG23 THR 42 42.270 -5.217 5.398 294 H GLY 43 HN GLY 43 39.674 -2.630 6.962 295 HA2 GLY 43 HA2 GLY 43 42.429 -2.308 7.874 296 HA3 GLY 43 HA1 GLY 43 41.486 -0.830 7.704 297 H ILE 44 HN ILE 44 39.313 -0.869 8.832 298 HA ILE 44 HA ILE 44 39.687 -1.339 11.586 299 HB ILE 44 HB ILE 44 37.349 -0.709 11.823 300 HG12 ILE 44 HG12 ILE 44 37.210 -0.971 8.802 301 HG13 ILE 44 HG11 ILE 44 36.450 -2.068 9.953 302 HG21 ILE 44 HG21 ILE 44 39.069 1.026 11.264 303 HG22 ILE 44 HG22 ILE 44 37.444 1.459 10.730 304 HG23 ILE 44 HG23 ILE 44 38.622 0.855 9.565 305 HD11 ILE 44 HD11 ILE 44 34.711 -0.589 9.384 306 HD12 ILE 44 HD12 ILE 44 35.778 0.813 9.398 307 HD13 ILE 44 HD13 ILE 44 35.306 0.050 10.916 308 H VAL 45 HN VAL 45 38.237 -3.255 9.034 309 HA VAL 45 HA VAL 45 36.876 -5.130 10.641 310 HB VAL 45 HB VAL 45 38.049 -5.340 7.872 311 HG11 VAL 45 HG11 VAL 45 36.417 -7.310 9.488 312 HG12 VAL 45 HG12 VAL 45 37.966 -7.591 8.692 313 HG13 VAL 45 HG13 VAL 45 36.505 -7.368 7.728 314 HG21 VAL 45 HG21 VAL 45 35.267 -4.919 8.997 315 HG22 VAL 45 HG22 VAL 45 35.585 -5.274 7.298 316 HG23 VAL 45 HG23 VAL 45 36.205 -3.788 8.020 317 H ASP 46 HN ASP 46 40.129 -5.175 9.236 318 HA ASP 46 HA ASP 46 40.866 -7.704 10.250 319 HB2 ASP 46 HB2 ASP 46 42.506 -5.314 9.402 320 HB3 ASP 46 HB1 ASP 46 43.219 -6.848 9.895 321 H GLU 47 HN GLU 47 41.182 -4.423 11.579 322 HA GLU 47 HA GLU 47 42.839 -5.070 13.752 323 HB2 GLU 47 HB2 GLU 47 40.720 -2.946 13.397 324 HB3 GLU 47 HB1 GLU 47 41.780 -3.021 14.804 325 HG2 GLU 47 HG2 GLU 47 43.744 -2.758 13.424 326 HG3 GLU 47 HG1 GLU 47 42.790 -2.918 11.950 327 H CYS 48 HN CYS 48 39.260 -4.825 13.649 328 HA CYS 48 HA CYS 48 38.934 -5.747 16.343 329 HB2 CYS 48 HB2 CYS 48 36.964 -5.564 14.061 330 HB3 CYS 48 HB1 CYS 48 36.554 -5.987 15.712 331 H CYS 49 HN CYS 49 38.734 -7.292 13.161 332 HA CYS 49 HA CYS 49 37.741 -9.778 13.983 333 HB2 CYS 49 HB2 CYS 49 37.802 -9.078 11.624 334 HB3 CYS 49 HB1 CYS 49 39.563 -9.176 11.639 335 H PHE 50 HN PHE 50 41.097 -8.684 13.531 336 HA PHE 50 HA PHE 50 42.094 -11.203 14.564 337 HB2 PHE 50 HB2 PHE 50 43.379 -8.714 13.470 338 HB3 PHE 50 HB1 PHE 50 44.346 -9.972 14.247 339 HD1 PHE 50 HD1 PHE 50 42.006 -9.201 11.481 340 HD2 PHE 50 HD2 PHE 50 44.750 -12.074 13.116 341 HE1 PHE 50 HE1 PHE 50 41.921 -10.478 9.362 342 HE2 PHE 50 HE2 PHE 50 44.669 -13.357 10.994 343 HZ PHE 50 HZ PHE 50 43.256 -12.559 9.116 344 H ARG 51 HN ARG 51 42.851 -7.811 15.366 345 HA ARG 51 HA ARG 51 43.547 -8.506 18.083 346 HB2 ARG 51 HB2 ARG 51 43.383 -5.853 16.645 347 HB3 ARG 51 HB1 ARG 51 43.919 -6.042 18.315 348 HG2 ARG 51 HG2 ARG 51 45.707 -7.573 17.564 349 HG3 ARG 51 HG1 ARG 51 45.183 -7.357 15.894 350 HD2 ARG 51 HD2 ARG 51 45.622 -4.937 16.067 351 HD3 ARG 51 HD1 ARG 51 46.151 -5.153 17.732 352 HE ARG 51 HE ARG 51 47.667 -6.864 16.089 353 HH11 ARG 51 HH11 ARG 51 47.177 -3.463 16.702 354 HH12 ARG 51 HH12 ARG 51 48.790 -3.029 16.248 355 HH21 ARG 51 HH21 ARG 51 49.767 -6.264 15.507 356 HH22 ARG 51 HH22 ARG 51 50.246 -4.600 15.576 357 H SER 52 HN SER 52 42.590 -7.304 19.941 358 HA SER 52 HA SER 52 39.671 -7.342 19.708 359 HB2 SER 52 HB2 SER 52 40.652 -8.580 21.565 360 HB3 SER 52 HB1 SER 52 41.499 -7.135 22.112 361 HG SER 52 HG SER 52 38.715 -7.655 22.052 362 H CYS 53 HN CYS 53 39.032 -5.437 18.794 363 HA CYS 53 HA CYS 53 40.166 -2.915 19.687 364 HB2 CYS 53 HB2 CYS 53 38.730 -1.918 17.989 365 HB3 CYS 53 HB1 CYS 53 39.584 -3.295 17.303 366 H ASP 54 HN ASP 54 39.283 -1.541 21.120 367 HA ASP 54 HA ASP 54 37.151 -2.425 22.807 368 HB2 ASP 54 HB2 ASP 54 38.654 0.186 22.606 369 HB3 ASP 54 HB1 ASP 54 37.400 -0.114 23.807 370 H LEU 55 HN LEU 55 35.116 -1.428 23.144 371 HA LEU 55 HA LEU 55 33.691 -0.800 20.787 372 HB2 LEU 55 HB2 LEU 55 33.018 -0.435 23.712 373 HB3 LEU 55 HB1 LEU 55 31.878 -0.100 22.408 374 HG LEU 55 HG LEU 55 33.287 -2.762 22.720 375 HD11 LEU 55 HD11 LEU 55 31.295 -3.598 23.797 376 HD12 LEU 55 HD12 LEU 55 30.458 -2.064 23.558 377 HD13 LEU 55 HD13 LEU 55 31.810 -2.166 24.687 378 HD21 LEU 55 HD21 LEU 55 32.472 -2.469 20.490 379 HD22 LEU 55 HD22 LEU 55 30.979 -1.721 21.056 380 HD23 LEU 55 HD23 LEU 55 31.252 -3.445 21.306 381 H ARG 56 HN ARG 56 35.076 1.231 23.339 382 HA ARG 56 HA ARG 56 33.955 3.678 22.531 383 HB2 ARG 56 HB2 ARG 56 35.102 3.358 24.682 384 HB3 ARG 56 HB1 ARG 56 36.638 3.174 23.837 385 HG2 ARG 56 HG2 ARG 56 36.460 5.441 22.944 386 HG3 ARG 56 HG1 ARG 56 34.872 5.635 23.689 387 HD2 ARG 56 HD2 ARG 56 36.567 6.699 25.094 388 HD3 ARG 56 HD1 ARG 56 35.906 5.291 25.922 389 HE ARG 56 HE ARG 56 37.983 4.264 25.748 390 HH11 ARG 56 HH11 ARG 56 37.837 7.056 23.659 391 HH12 ARG 56 HH12 ARG 56 39.529 7.015 23.295 392 HH21 ARG 56 HH21 ARG 56 40.184 4.240 25.252 393 HH22 ARG 56 HH22 ARG 56 40.848 5.433 24.188 394 H ARG 57 HN ARG 57 37.060 2.151 21.601 395 HA ARG 57 HA ARG 57 37.892 4.212 19.879 396 HB2 ARG 57 HB2 ARG 57 39.423 2.531 20.745 397 HB3 ARG 57 HB1 ARG 57 38.540 1.259 19.899 398 HG2 ARG 57 HG2 ARG 57 39.058 2.325 17.748 399 HG3 ARG 57 HG1 ARG 57 39.932 3.600 18.593 400 HD2 ARG 57 HD2 ARG 57 40.607 0.689 18.916 401 HD3 ARG 57 HD1 ARG 57 41.349 1.685 17.666 402 HE ARG 57 HE ARG 57 41.903 1.757 20.504 403 HH11 ARG 57 HH11 ARG 57 41.952 3.556 17.510 404 HH12 ARG 57 HH12 ARG 57 43.198 4.632 18.044 405 HH21 ARG 57 HH21 ARG 57 43.531 3.176 21.163 406 HH22 ARG 57 HH22 ARG 57 44.086 4.421 20.093 407 H LEU 58 HN LEU 58 35.982 1.277 19.396 408 HA LEU 58 HA LEU 58 35.847 1.271 16.611 409 HB2 LEU 58 HB2 LEU 58 34.932 -0.433 18.375 410 HB3 LEU 58 HB1 LEU 58 33.459 0.537 18.279 411 HG LEU 58 HG LEU 58 33.713 0.285 15.708 412 HD11 LEU 58 HD11 LEU 58 35.032 -1.492 14.887 413 HD12 LEU 58 HD12 LEU 58 35.221 -2.212 16.483 414 HD13 LEU 58 HD13 LEU 58 36.081 -0.732 16.080 415 HD21 LEU 58 HD21 LEU 58 32.956 -1.966 17.584 416 HD22 LEU 58 HD22 LEU 58 32.663 -2.043 15.846 417 HD23 LEU 58 HD23 LEU 58 31.889 -0.789 16.818 418 H ASP 59 HN ASP 59 34.121 3.206 18.979 419 HA ASP 59 HA ASP 59 32.045 4.165 17.355 420 HB2 ASP 59 HB2 ASP 59 32.312 4.483 19.851 421 HB3 ASP 59 HB1 ASP 59 33.474 5.758 19.486 422 H MET 60 HN MET 60 35.420 5.109 17.607 423 HA MET 60 HA MET 60 35.212 7.544 16.154 424 HB2 MET 60 HB2 MET 60 37.535 5.696 16.702 425 HB3 MET 60 HB1 MET 60 37.702 7.233 15.853 426 HG2 MET 60 HG2 MET 60 36.589 8.345 17.832 427 HG3 MET 60 HG1 MET 60 36.705 6.806 18.681 428 HE1 MET 60 HE1 MET 60 39.156 6.008 19.930 429 HE2 MET 60 HE2 MET 60 40.423 6.021 18.706 430 HE3 MET 60 HE3 MET 60 38.822 5.412 18.298 431 H TYR 61 HN TYR 61 34.913 4.315 15.133 432 HA TYR 61 HA TYR 61 36.104 4.630 12.545 433 HB2 TYR 61 HB2 TYR 61 34.296 2.541 13.758 434 HB3 TYR 61 HB1 TYR 61 34.872 2.429 12.096 435 HD1 TYR 61 HD1 TYR 61 37.426 4.086 13.860 436 HD2 TYR 61 HD2 TYR 61 35.632 0.193 13.480 437 HE1 TYR 61 HE1 TYR 61 39.488 3.051 14.727 438 HE2 TYR 61 HE2 TYR 61 37.707 -0.836 14.352 439 HH TYR 61 HH TYR 61 39.691 0.042 15.912 440 H CYS 62 HN CYS 62 33.122 5.506 13.956 441 HA CYS 62 HA CYS 62 31.385 5.340 11.746 442 HB2 CYS 62 HB2 CYS 62 31.396 7.327 14.033 443 HB3 CYS 62 HB1 CYS 62 30.030 6.974 12.974 444 H ALA 63 HN ALA 63 30.638 7.079 10.381 445 HA ALA 63 HA ALA 63 32.755 8.548 9.219 446 HB1 ALA 63 HB1 ALA 63 31.278 8.961 7.519 447 HB2 ALA 63 HB2 ALA 63 29.941 9.299 8.618 448 HB3 ALA 63 HB3 ALA 63 30.410 7.632 8.284 449 HA PRO 64 HA PRO 64 32.837 12.473 11.183 450 HB2 PRO 64 HB2 PRO 64 31.875 13.722 8.644 451 HB3 PRO 64 HB1 PRO 64 33.321 14.091 9.605 452 HG2 PRO 64 HG2 PRO 64 33.486 12.749 7.318 453 HG3 PRO 64 HG1 PRO 64 34.531 12.364 8.696 454 HD2 PRO 64 HD2 PRO 64 32.171 10.847 7.648 455 HD3 PRO 64 HD1 PRO 64 33.642 10.255 8.451 456 H LEU 65 HN LEU 65 31.471 13.791 12.343 457 HA LEU 65 HA LEU 65 28.676 13.205 12.333 458 HB2 LEU 65 HB2 LEU 65 30.213 15.396 13.751 459 HB3 LEU 65 HB1 LEU 65 28.555 14.912 14.109 460 HG LEU 65 HG LEU 65 30.957 13.066 14.269 461 HD11 LEU 65 HD11 LEU 65 31.142 14.698 16.031 462 HD12 LEU 65 HD12 LEU 65 30.496 13.223 16.750 463 HD13 LEU 65 HD13 LEU 65 29.421 14.576 16.398 464 HD21 LEU 65 HD21 LEU 65 29.026 11.737 13.874 465 HD22 LEU 65 HD22 LEU 65 28.009 12.763 14.886 466 HD23 LEU 65 HD23 LEU 65 29.218 11.714 15.627 467 H LYS 66 HN LYS 66 26.943 14.484 11.738 468 HA LYS 66 HA LYS 66 25.807 15.884 10.307 469 HB2 LYS 66 HB2 LYS 66 27.965 17.801 11.218 470 HB3 LYS 66 HB1 LYS 66 26.427 18.255 10.489 471 HG2 LYS 66 HG2 LYS 66 26.660 16.645 13.041 472 HG3 LYS 66 HG1 LYS 66 26.443 18.394 13.002 473 HD2 LYS 66 HD2 LYS 66 24.347 18.071 11.691 474 HD3 LYS 66 HD1 LYS 66 24.548 16.326 11.843 475 HE2 LYS 66 HE2 LYS 66 24.464 16.516 14.293 476 HE3 LYS 66 HE1 LYS 66 24.273 18.264 14.155 477 HZ1 LYS 66 HZ1 LYS 66 22.416 16.285 12.956 478 HZ2 LYS 66 HZ2 LYS 66 22.212 17.970 13.021 479 HZ3 LYS 66 HZ3 LYS 66 22.157 17.049 14.447 480 HA PRO 67 HA PRO 67 29.024 15.053 6.980 481 HB2 PRO 67 HB2 PRO 67 26.595 13.849 5.744 482 HB3 PRO 67 HB1 PRO 67 28.244 13.203 5.850 483 HG2 PRO 67 HG2 PRO 67 26.304 12.212 7.351 484 HG3 PRO 67 HG1 PRO 67 27.942 12.422 8.000 485 HD2 PRO 67 HD2 PRO 67 25.502 14.121 8.455 486 HD3 PRO 67 HD1 PRO 67 26.762 13.622 9.606 487 H ALA 68 HN ALA 68 29.320 16.401 5.248 488 HA ALA 68 HA ALA 68 28.982 18.218 3.880 489 HB1 ALA 68 HB1 ALA 68 27.654 16.423 2.730 490 HB2 ALA 68 HB2 ALA 68 27.086 18.060 2.406 491 HB3 ALA 68 HB3 ALA 68 26.218 17.036 3.550 492 H LYS 69 HN LYS 69 28.167 18.406 6.764 493 HA LYS 69 HA LYS 69 26.500 20.822 6.483 494 HB2 LYS 69 HB2 LYS 69 26.171 18.582 8.470 495 HB3 LYS 69 HB1 LYS 69 25.478 20.184 8.724 496 HG2 LYS 69 HG2 LYS 69 24.257 19.991 6.587 497 HG3 LYS 69 HG1 LYS 69 24.951 18.390 6.335 498 HD2 LYS 69 HD2 LYS 69 23.879 17.585 8.400 499 HD3 LYS 69 HD1 LYS 69 23.196 19.189 8.675 500 HE2 LYS 69 HE2 LYS 69 21.955 19.032 6.551 501 HE3 LYS 69 HE1 LYS 69 22.642 17.432 6.265 502 HZ1 LYS 69 HZ1 LYS 69 21.609 16.682 8.332 503 HZ2 LYS 69 HZ2 LYS 69 20.452 17.247 7.225 504 HZ3 LYS 69 HZ3 LYS 69 20.908 18.212 8.546 505 H SER 70 HN SER 70 29.002 19.067 8.187 506 HA SER 70 HA SER 70 29.530 20.924 10.241 507 HB2 SER 70 HB2 SER 70 31.358 18.968 8.836 508 HB3 SER 70 HB1 SER 70 31.799 19.869 10.284 509 HG SER 70 HG SER 70 29.928 18.914 11.280 510 H ALA 71 HN ALA 71 30.711 20.675 6.916 511 HA ALA 71 HA ALA 71 32.084 23.269 7.262 512 HB1 ALA 71 HB1 ALA 71 32.510 21.172 5.120 513 HB2 ALA 71 HB2 ALA 71 33.523 21.377 6.549 514 HB3 ALA 71 HB3 ALA 71 33.443 22.653 5.333 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 32.465 -21.502 12.153 2 H2 GLY 1 HT2 GLY 1 32.036 -21.911 13.744 3 H3 GLY 1 HT3 GLY 1 33.672 -21.730 13.322 4 HA2 GLY 1 HA2 GLY 1 32.488 -19.348 12.612 5 HA3 GLY 1 HA1 GLY 1 31.816 -19.766 14.189 6 H GLY 2 HN GLY 2 33.427 -17.579 14.035 7 HA2 GLY 2 HA2 GLY 2 36.183 -18.213 14.596 8 HA3 GLY 2 HA1 GLY 2 35.426 -16.630 14.733 9 HA PRO 3 HA PRO 3 36.037 -18.603 18.975 10 HB2 PRO 3 HB2 PRO 3 38.074 -17.030 19.876 11 HB3 PRO 3 HB1 PRO 3 38.344 -18.532 18.972 12 HG2 PRO 3 HG2 PRO 3 38.460 -15.713 18.033 13 HG3 PRO 3 HG1 PRO 3 39.487 -17.091 17.607 14 HD2 PRO 3 HD2 PRO 3 37.442 -16.159 16.010 15 HD3 PRO 3 HD1 PRO 3 38.040 -17.832 15.975 16 H GLU 4 HN GLU 4 33.903 -17.225 18.639 17 HA GLU 4 HA GLU 4 32.457 -15.661 19.496 18 HB2 GLU 4 HB2 GLU 4 34.591 -15.544 21.641 19 HB3 GLU 4 HB1 GLU 4 32.988 -14.823 21.778 20 HG2 GLU 4 HG2 GLU 4 31.957 -17.038 21.458 21 HG3 GLU 4 HG1 GLU 4 33.557 -17.764 21.313 22 H THR 5 HN THR 5 34.003 -14.693 17.456 23 HA THR 5 HA THR 5 34.556 -11.923 18.335 24 HB THR 5 HB THR 5 36.300 -11.799 16.606 25 HG1 THR 5 HG1 THR 5 36.551 -13.360 15.221 26 HG21 THR 5 HG21 THR 5 37.958 -13.042 17.776 27 HG22 THR 5 HG22 THR 5 36.789 -14.255 18.298 28 HG23 THR 5 HG23 THR 5 36.744 -12.632 18.987 29 H LEU 6 HN LEU 6 34.228 -10.291 16.658 30 HA LEU 6 HA LEU 6 31.973 -11.033 14.909 31 HB2 LEU 6 HB2 LEU 6 32.915 -8.292 15.791 32 HB3 LEU 6 HB1 LEU 6 31.439 -8.656 14.898 33 HG LEU 6 HG LEU 6 32.084 -9.726 17.662 34 HD11 LEU 6 HD11 LEU 6 30.065 -7.608 16.878 35 HD12 LEU 6 HD12 LEU 6 31.664 -7.233 17.522 36 HD13 LEU 6 HD13 LEU 6 30.501 -8.119 18.508 37 HD21 LEU 6 HD21 LEU 6 30.609 -11.230 16.500 38 HD22 LEU 6 HD22 LEU 6 29.660 -9.892 15.852 39 HD23 LEU 6 HD23 LEU 6 29.597 -10.264 17.574 40 H CYS 7 HN CYS 7 32.620 -11.547 12.907 41 HA CYS 7 HA CYS 7 34.499 -9.724 11.551 42 HB2 CYS 7 HB2 CYS 7 34.504 -12.745 11.356 43 HB3 CYS 7 HB1 CYS 7 35.519 -11.652 10.417 44 H GLY 8 HN GLY 8 34.275 -9.694 9.221 45 HA2 GLY 8 HA2 GLY 8 33.032 -9.541 7.290 46 HA3 GLY 8 HA1 GLY 8 32.300 -11.067 7.777 47 H ALA 9 HN ALA 9 30.165 -10.907 7.739 48 HA ALA 9 HA ALA 9 28.698 -8.511 7.803 49 HB1 ALA 9 HB1 ALA 9 28.048 -11.409 7.994 50 HB2 ALA 9 HB2 ALA 9 27.429 -10.185 6.885 51 HB3 ALA 9 HB3 ALA 9 26.815 -10.270 8.536 52 H GLU 10 HN GLU 10 29.628 -10.767 10.365 53 HA GLU 10 HA GLU 10 27.980 -9.750 12.407 54 HB2 GLU 10 HB2 GLU 10 30.675 -11.113 12.480 55 HB3 GLU 10 HB1 GLU 10 29.758 -10.719 13.933 56 HG2 GLU 10 HG2 GLU 10 27.901 -12.096 13.204 57 HG3 GLU 10 HG1 GLU 10 28.670 -12.379 11.643 58 H LEU 11 HN LEU 11 31.236 -8.830 11.349 59 HA LEU 11 HA LEU 11 31.687 -6.911 13.388 60 HB2 LEU 11 HB2 LEU 11 33.516 -7.838 12.048 61 HB3 LEU 11 HB1 LEU 11 32.858 -7.080 10.600 62 HG LEU 11 HG LEU 11 33.126 -4.851 11.686 63 HD11 LEU 11 HD11 LEU 11 33.003 -5.395 14.012 64 HD12 LEU 11 HD12 LEU 11 34.649 -4.829 13.732 65 HD13 LEU 11 HD13 LEU 11 34.322 -6.556 13.879 66 HD21 LEU 11 HD21 LEU 11 35.719 -6.406 11.759 67 HD22 LEU 11 HD22 LEU 11 35.487 -4.708 11.342 68 HD23 LEU 11 HD23 LEU 11 34.910 -5.969 10.254 69 H VAL 12 HN VAL 12 30.343 -6.692 10.120 70 HA VAL 12 HA VAL 12 30.140 -3.909 9.968 71 HB VAL 12 HB VAL 12 28.586 -6.145 8.676 72 HG11 VAL 12 HG11 VAL 12 27.721 -4.267 7.149 73 HG12 VAL 12 HG12 VAL 12 28.245 -3.138 8.398 74 HG13 VAL 12 HG13 VAL 12 26.993 -4.328 8.754 75 HG21 VAL 12 HG21 VAL 12 30.497 -4.059 7.586 76 HG22 VAL 12 HG22 VAL 12 29.830 -5.437 6.711 77 HG23 VAL 12 HG23 VAL 12 30.960 -5.700 8.039 78 H ASP 13 HN ASP 13 27.870 -6.335 11.203 79 HA ASP 13 HA ASP 13 25.713 -4.615 11.751 80 HB2 ASP 13 HB2 ASP 13 25.606 -7.110 11.765 81 HB3 ASP 13 HB1 ASP 13 26.509 -7.105 13.278 82 H ALA 14 HN ALA 14 28.480 -5.616 13.755 83 HA ALA 14 HA ALA 14 27.694 -4.294 16.117 84 HB1 ALA 14 HB1 ALA 14 29.684 -5.975 15.565 85 HB2 ALA 14 HB2 ALA 14 29.759 -4.869 16.937 86 HB3 ALA 14 HB3 ALA 14 30.592 -4.469 15.434 87 H LEU 15 HN LEU 15 29.633 -3.205 13.350 88 HA LEU 15 HA LEU 15 30.380 -0.697 14.397 89 HB2 LEU 15 HB2 LEU 15 30.018 -1.711 11.574 90 HB3 LEU 15 HB1 LEU 15 30.583 -0.078 11.925 91 HG LEU 15 HG LEU 15 31.910 -2.481 13.176 92 HD11 LEU 15 HD11 LEU 15 31.852 -2.619 10.621 93 HD12 LEU 15 HD12 LEU 15 33.460 -2.588 11.349 94 HD13 LEU 15 HD13 LEU 15 32.797 -1.128 10.613 95 HD21 LEU 15 HD21 LEU 15 32.946 0.274 12.435 96 HD22 LEU 15 HD22 LEU 15 33.761 -0.929 13.431 97 HD23 LEU 15 HD23 LEU 15 32.310 -0.130 14.027 98 H GLN 16 HN GLN 16 27.559 -1.710 12.492 99 HA GLN 16 HA GLN 16 26.426 0.876 12.215 100 HB2 GLN 16 HB2 GLN 16 25.219 -1.891 12.109 101 HB3 GLN 16 HB1 GLN 16 24.297 -0.422 11.783 102 HG2 GLN 16 HG2 GLN 16 25.741 0.157 9.937 103 HG3 GLN 16 HG1 GLN 16 26.857 -1.149 10.334 104 HE21 GLN 16 HE21 GLN 16 25.305 -0.751 7.795 105 HE22 GLN 16 HE22 GLN 16 24.371 -2.156 7.614 106 H PHE 17 HN PHE 17 26.056 -1.682 14.627 107 HA PHE 17 HA PHE 17 23.956 -0.554 16.112 108 HB2 PHE 17 HB2 PHE 17 24.537 -2.804 16.572 109 HB3 PHE 17 HB1 PHE 17 26.226 -2.390 16.871 110 HD1 PHE 17 HD1 PHE 17 22.767 -2.133 18.211 111 HD2 PHE 17 HD2 PHE 17 26.957 -1.499 18.976 112 HE1 PHE 17 HE1 PHE 17 22.274 -1.767 20.615 113 HE2 PHE 17 HE2 PHE 17 26.455 -1.143 21.380 114 HZ PHE 17 HZ PHE 17 24.118 -1.275 22.199 115 H VAL 18 HN VAL 18 27.479 -0.272 16.552 116 HA VAL 18 HA VAL 18 27.377 1.427 18.799 117 HB VAL 18 HB VAL 18 29.498 1.110 16.666 118 HG11 VAL 18 HG11 VAL 18 29.551 2.484 19.361 119 HG12 VAL 18 HG12 VAL 18 29.804 3.238 17.786 120 HG13 VAL 18 HG13 VAL 18 30.992 2.100 18.419 121 HG21 VAL 18 HG21 VAL 18 30.582 -0.296 18.391 122 HG22 VAL 18 HG22 VAL 18 29.002 -0.937 17.946 123 HG23 VAL 18 HG23 VAL 18 29.198 -0.050 19.456 124 H CYS 19 HN CYS 19 27.587 2.124 15.325 125 HA CYS 19 HA CYS 19 27.744 4.954 15.621 126 HB2 CYS 19 HB2 CYS 19 26.817 3.289 13.263 127 HB3 CYS 19 HB1 CYS 19 27.216 5.004 13.211 128 H GLY 20 HN GLY 20 25.158 2.706 15.884 129 HA2 GLY 20 HA2 GLY 20 22.991 3.120 16.603 130 HA3 GLY 20 HA1 GLY 20 23.296 4.847 16.436 131 H ASP 21 HN ASP 21 23.304 2.052 14.214 132 HA ASP 21 HA ASP 21 22.298 1.720 12.177 133 HB2 ASP 21 HB2 ASP 21 20.319 3.761 13.221 134 HB3 ASP 21 HB1 ASP 21 20.062 2.683 11.855 135 H ARG 22 HN ARG 22 24.447 3.503 12.196 136 HA ARG 22 HA ARG 22 23.667 5.343 10.043 137 HB2 ARG 22 HB2 ARG 22 25.565 5.917 12.334 138 HB3 ARG 22 HB1 ARG 22 25.356 6.956 10.928 139 HG2 ARG 22 HG2 ARG 22 22.943 7.148 11.492 140 HG3 ARG 22 HG1 ARG 22 23.240 6.198 12.946 141 HD2 ARG 22 HD2 ARG 22 24.979 7.895 13.607 142 HD3 ARG 22 HD1 ARG 22 24.445 8.884 12.250 143 HE ARG 22 HE ARG 22 22.225 8.159 13.834 144 HH11 ARG 22 HH11 ARG 22 25.073 10.165 13.869 145 HH12 ARG 22 HH12 ARG 22 24.386 11.338 14.938 146 HH21 ARG 22 HH21 ARG 22 21.340 9.726 15.245 147 HH22 ARG 22 HH22 ARG 22 22.295 11.095 15.711 148 H GLY 23 HN GLY 23 24.645 4.749 8.271 149 HA2 GLY 23 HA2 GLY 23 26.679 2.833 8.047 150 HA3 GLY 23 HA1 GLY 23 26.213 3.963 6.778 151 H PHE 24 HN PHE 24 28.875 3.054 7.398 152 HA PHE 24 HA PHE 24 30.124 5.634 8.112 153 HB2 PHE 24 HB2 PHE 24 32.066 4.024 8.884 154 HB3 PHE 24 HB1 PHE 24 30.719 4.376 9.965 155 HD1 PHE 24 HD1 PHE 24 32.327 1.845 7.859 156 HD2 PHE 24 HD2 PHE 24 28.920 2.726 10.314 157 HE1 PHE 24 HE1 PHE 24 31.747 -0.560 7.918 158 HE2 PHE 24 HE2 PHE 24 28.341 0.322 10.376 159 HZ PHE 24 HZ PHE 24 29.751 -1.324 9.178 160 H TYR 25 HN TYR 25 31.914 6.254 6.939 161 HA TYR 25 HA TYR 25 32.051 5.397 4.258 162 HB2 TYR 25 HB2 TYR 25 33.985 6.864 4.076 163 HB3 TYR 25 HB1 TYR 25 32.736 7.649 5.043 164 HD1 TYR 25 HD1 TYR 25 36.058 6.068 5.090 165 HD2 TYR 25 HD2 TYR 25 32.976 7.885 7.474 166 HE1 TYR 25 HE1 TYR 25 37.645 6.276 6.985 167 HE2 TYR 25 HE2 TYR 25 34.563 8.092 9.365 168 HH TYR 25 HH TYR 25 37.308 8.246 9.450 169 H PHE 26 HN PHE 26 33.870 4.494 7.125 170 HA PHE 26 HA PHE 26 35.372 2.805 7.524 171 HB2 PHE 26 HB2 PHE 26 33.598 1.411 6.505 172 HB3 PHE 26 HB1 PHE 26 34.305 1.689 4.918 173 HD1 PHE 26 HD1 PHE 26 34.951 0.230 8.275 174 HD2 PHE 26 HD2 PHE 26 36.212 0.480 4.179 175 HE1 PHE 26 HE1 PHE 26 36.541 -1.634 8.651 176 HE2 PHE 26 HE2 PHE 26 37.803 -1.383 4.553 177 HZ PHE 26 HZ PHE 26 37.967 -2.439 6.789 178 H ASN 27 HN ASN 27 37.469 2.017 6.901 179 HA ASN 27 HA ASN 27 39.529 2.179 5.901 180 HB2 ASN 27 HB2 ASN 27 38.094 1.529 3.881 181 HB3 ASN 27 HB1 ASN 27 38.145 3.236 3.444 182 HD21 ASN 27 HD21 ASN 27 39.514 2.974 1.587 183 HD22 ASN 27 HD22 ASN 27 41.131 2.474 1.714 184 H LYS 28 HN LYS 28 40.211 3.835 7.273 185 HA LYS 28 HA LYS 28 39.660 6.579 6.788 186 HB2 LYS 28 HB2 LYS 28 41.771 5.181 8.431 187 HB3 LYS 28 HB1 LYS 28 41.643 6.937 8.343 188 HG2 LYS 28 HG2 LYS 28 39.310 6.807 9.128 189 HG3 LYS 28 HG1 LYS 28 39.442 5.051 9.229 190 HD2 LYS 28 HD2 LYS 28 41.264 5.280 10.878 191 HD3 LYS 28 HD1 LYS 28 41.133 7.037 10.777 192 HE2 LYS 28 HE2 LYS 28 38.802 6.916 11.571 193 HE3 LYS 28 HE1 LYS 28 38.925 5.159 11.670 194 HZ1 LYS 28 HZ1 LYS 28 40.799 5.480 13.232 195 HZ2 LYS 28 HZ2 LYS 28 39.318 6.071 13.822 196 HZ3 LYS 28 HZ3 LYS 28 40.488 7.148 13.222 197 HA PRO 29 HA PRO 29 42.424 7.863 3.618 198 HB2 PRO 29 HB2 PRO 29 43.644 9.769 5.573 199 HB3 PRO 29 HB1 PRO 29 42.957 10.084 3.968 200 HG2 PRO 29 HG2 PRO 29 41.631 10.737 6.164 201 HG3 PRO 29 HG1 PRO 29 40.788 10.086 4.746 202 HD2 PRO 29 HD2 PRO 29 41.447 8.741 7.333 203 HD3 PRO 29 HD1 PRO 29 40.033 8.534 6.277 204 H THR 30 HN THR 30 43.848 7.302 6.807 205 HA THR 30 HA THR 30 46.135 5.985 5.515 206 HB THR 30 HB THR 30 46.820 8.323 6.055 207 HG1 THR 30 HG1 THR 30 48.592 7.220 6.239 208 HG21 THR 30 HG21 THR 30 46.400 7.469 8.929 209 HG22 THR 30 HG22 THR 30 45.290 8.517 8.047 210 HG23 THR 30 HG23 THR 30 46.943 9.046 8.357 211 H GLY 31 HN GLY 31 47.048 4.324 6.728 212 HA2 GLY 31 HA2 GLY 31 45.866 3.755 9.365 213 HA3 GLY 31 HA1 GLY 31 45.775 2.530 8.103 214 H TYR 32 HN TYR 32 48.554 4.600 8.204 215 HA TYR 32 HA TYR 32 50.176 2.302 9.095 216 HB2 TYR 32 HB2 TYR 32 50.914 4.738 7.456 217 HB3 TYR 32 HB1 TYR 32 52.051 3.490 7.963 218 HD1 TYR 32 HD1 TYR 32 49.217 4.292 5.762 219 HD2 TYR 32 HD2 TYR 32 51.938 1.221 7.036 220 HE1 TYR 32 HE1 TYR 32 48.557 2.900 3.818 221 HE2 TYR 32 HE2 TYR 32 51.277 -0.171 5.093 222 HH TYR 32 HH TYR 32 49.712 0.990 2.449 223 H GLY 33 HN GLY 33 51.195 2.405 10.991 224 HA2 GLY 33 HA2 GLY 33 51.030 4.841 12.577 225 HA3 GLY 33 HA1 GLY 33 51.584 3.265 13.132 226 H SER 34 HN SER 34 53.163 4.998 14.088 227 HA SER 34 HA SER 34 55.425 5.321 12.212 228 HB2 SER 34 HB2 SER 34 56.154 7.186 13.649 229 HB3 SER 34 HB1 SER 34 54.541 7.466 12.999 230 HG SER 34 HG SER 34 55.374 7.099 15.584 231 H SER 35 HN SER 35 54.450 3.193 14.384 232 HA SER 35 HA SER 35 57.129 2.476 15.173 233 HB2 SER 35 HB2 SER 35 56.597 3.990 16.977 234 HB3 SER 35 HB1 SER 35 55.027 3.227 17.211 235 HG SER 35 HG SER 35 57.601 2.326 17.852 236 H SER 36 HN SER 36 57.323 0.322 15.429 237 HA SER 36 HA SER 36 55.258 -1.388 14.522 238 HB2 SER 36 HB2 SER 36 56.766 -3.200 15.030 239 HB3 SER 36 HB1 SER 36 57.719 -1.869 14.380 240 HG SER 36 HG SER 36 58.666 -2.710 16.268 241 H ARG 37 HN ARG 37 54.094 -2.994 15.657 242 HA ARG 37 HA ARG 37 52.731 -3.740 17.344 243 HB2 ARG 37 HB2 ARG 37 55.061 -2.860 19.069 244 HB3 ARG 37 HB1 ARG 37 53.741 -3.911 19.585 245 HG2 ARG 37 HG2 ARG 37 54.351 -5.560 17.876 246 HG3 ARG 37 HG1 ARG 37 55.638 -4.502 17.297 247 HD2 ARG 37 HD2 ARG 37 56.611 -6.162 18.772 248 HD3 ARG 37 HD1 ARG 37 56.672 -4.593 19.566 249 HE ARG 37 HE ARG 37 54.289 -5.990 20.273 250 HH11 ARG 37 HH11 ARG 37 57.730 -5.878 20.821 251 HH12 ARG 37 HH12 ARG 37 57.622 -6.552 22.410 252 HH21 ARG 37 HH21 ARG 37 54.174 -6.870 22.358 253 HH22 ARG 37 HH22 ARG 37 55.623 -7.111 23.276 254 H ARG 38 HN ARG 38 52.979 -0.708 16.593 255 HA ARG 38 HA ARG 38 51.214 0.188 18.771 256 HB2 ARG 38 HB2 ARG 38 53.520 1.760 17.600 257 HB3 ARG 38 HB1 ARG 38 52.300 2.424 18.687 258 HG2 ARG 38 HG2 ARG 38 52.933 0.661 20.365 259 HG3 ARG 38 HG1 ARG 38 54.256 0.190 19.295 260 HD2 ARG 38 HD2 ARG 38 55.143 1.728 20.929 261 HD3 ARG 38 HD1 ARG 38 55.074 2.562 19.380 262 HE ARG 38 HE ARG 38 52.680 3.015 20.841 263 HH11 ARG 38 HH11 ARG 38 56.063 3.853 20.733 264 HH12 ARG 38 HH12 ARG 38 55.829 5.398 21.472 265 HH21 ARG 38 HH21 ARG 38 52.401 5.046 21.809 266 HH22 ARG 38 HH22 ARG 38 53.770 6.070 22.078 267 H ALA 39 HN ALA 39 49.690 1.774 18.149 268 HA ALA 39 HA ALA 39 48.093 2.596 16.715 269 HB1 ALA 39 HB1 ALA 39 50.579 3.111 15.068 270 HB2 ALA 39 HB2 ALA 39 49.843 4.211 16.233 271 HB3 ALA 39 HB3 ALA 39 48.994 3.811 14.740 272 HA PRO 40 HA PRO 40 48.259 -1.266 14.078 273 HB2 PRO 40 HB2 PRO 40 46.193 -2.588 15.274 274 HB3 PRO 40 HB1 PRO 40 47.872 -2.712 15.834 275 HG2 PRO 40 HG2 PRO 40 45.620 -1.118 16.937 276 HG3 PRO 40 HG1 PRO 40 46.917 -1.978 17.780 277 HD2 PRO 40 HD2 PRO 40 46.901 0.751 17.363 278 HD3 PRO 40 HD1 PRO 40 48.376 -0.207 17.615 279 H GLN 41 HN GLN 41 47.434 0.776 12.826 280 HA GLN 41 HA GLN 41 44.519 0.613 12.408 281 HB2 GLN 41 HB2 GLN 41 46.531 2.765 11.733 282 HB3 GLN 41 HB1 GLN 41 44.853 2.792 11.191 283 HG2 GLN 41 HG2 GLN 41 44.047 2.811 13.469 284 HG3 GLN 41 HG1 GLN 41 45.674 2.555 14.096 285 HE21 GLN 41 HE21 GLN 41 43.830 4.881 14.589 286 HE22 GLN 41 HE22 GLN 41 44.693 6.251 14.081 287 H THR 42 HN THR 42 46.838 -1.122 11.300 288 HA THR 42 HA THR 42 47.122 -0.645 8.552 289 HB THR 42 HB THR 42 47.146 -3.272 10.052 290 HG1 THR 42 HG1 THR 42 49.128 -1.368 9.374 291 HG21 THR 42 HG21 THR 42 46.904 -3.726 7.708 292 HG22 THR 42 HG22 THR 42 48.608 -3.957 8.100 293 HG23 THR 42 HG23 THR 42 48.083 -2.484 7.286 294 H GLY 43 HN GLY 43 44.779 -2.654 10.301 295 HA2 GLY 43 HA2 GLY 43 42.945 -2.397 8.014 296 HA3 GLY 43 HA1 GLY 43 43.327 -4.010 8.606 297 H ILE 44 HN ILE 44 41.104 -1.557 8.824 298 HA ILE 44 HA ILE 44 40.463 -1.468 11.560 299 HB ILE 44 HB ILE 44 38.806 -1.063 9.070 300 HG12 ILE 44 HG12 ILE 44 39.806 0.933 11.118 301 HG13 ILE 44 HG11 ILE 44 40.701 0.526 9.652 302 HG21 ILE 44 HG21 ILE 44 37.246 0.115 10.762 303 HG22 ILE 44 HG22 ILE 44 38.063 -0.869 11.975 304 HG23 ILE 44 HG23 ILE 44 37.187 -1.643 10.661 305 HD11 ILE 44 HD11 ILE 44 38.671 1.157 8.313 306 HD12 ILE 44 HD12 ILE 44 39.373 2.508 9.203 307 HD13 ILE 44 HD13 ILE 44 37.918 1.717 9.806 308 H VAL 45 HN VAL 45 39.223 -3.515 8.930 309 HA VAL 45 HA VAL 45 37.434 -4.994 10.556 310 HB VAL 45 HB VAL 45 38.688 -5.572 7.875 311 HG11 VAL 45 HG11 VAL 45 36.900 -7.375 7.761 312 HG12 VAL 45 HG12 VAL 45 36.690 -7.173 9.499 313 HG13 VAL 45 HG13 VAL 45 38.237 -7.730 8.856 314 HG21 VAL 45 HG21 VAL 45 36.974 -3.718 8.171 315 HG22 VAL 45 HG22 VAL 45 35.823 -4.963 8.656 316 HG23 VAL 45 HG23 VAL 45 36.509 -4.982 7.031 317 H ASP 46 HN ASP 46 40.742 -5.602 9.467 318 HA ASP 46 HA ASP 46 40.991 -8.181 10.581 319 HB2 ASP 46 HB2 ASP 46 43.029 -6.068 9.899 320 HB3 ASP 46 HB1 ASP 46 43.465 -7.675 10.478 321 H GLU 47 HN GLU 47 41.633 -4.953 11.921 322 HA GLU 47 HA GLU 47 42.941 -5.783 14.267 323 HB2 GLU 47 HB2 GLU 47 42.896 -3.453 13.486 324 HB3 GLU 47 HB1 GLU 47 41.166 -3.377 13.818 325 HG2 GLU 47 HG2 GLU 47 42.430 -2.384 15.671 326 HG3 GLU 47 HG1 GLU 47 41.613 -3.849 16.210 327 H CYS 48 HN CYS 48 39.492 -4.979 13.755 328 HA CYS 48 HA CYS 48 38.704 -5.760 16.396 329 HB2 CYS 48 HB2 CYS 48 37.091 -5.318 13.881 330 HB3 CYS 48 HB1 CYS 48 36.409 -5.645 15.466 331 H CYS 49 HN CYS 49 38.641 -7.355 13.232 332 HA CYS 49 HA CYS 49 37.169 -9.625 13.972 333 HB2 CYS 49 HB2 CYS 49 37.631 -9.012 11.626 334 HB3 CYS 49 HB1 CYS 49 39.333 -9.392 11.865 335 H PHE 50 HN PHE 50 40.697 -9.112 13.862 336 HA PHE 50 HA PHE 50 41.164 -11.709 15.053 337 HB2 PHE 50 HB2 PHE 50 42.938 -9.464 14.115 338 HB3 PHE 50 HB1 PHE 50 43.597 -10.839 15.009 339 HD1 PHE 50 HD1 PHE 50 41.738 -9.805 11.972 340 HD2 PHE 50 HD2 PHE 50 43.842 -12.984 13.952 341 HE1 PHE 50 HE1 PHE 50 41.724 -11.113 9.867 342 HE2 PHE 50 HE2 PHE 50 43.832 -14.298 11.848 343 HZ PHE 50 HZ PHE 50 42.774 -13.366 9.805 344 H ARG 51 HN ARG 51 42.339 -8.454 15.928 345 HA ARG 51 HA ARG 51 42.567 -9.192 18.713 346 HB2 ARG 51 HB2 ARG 51 43.023 -6.580 17.263 347 HB3 ARG 51 HB1 ARG 51 43.313 -6.821 18.988 348 HG2 ARG 51 HG2 ARG 51 44.935 -8.582 18.509 349 HG3 ARG 51 HG1 ARG 51 44.599 -8.455 16.783 350 HD2 ARG 51 HD2 ARG 51 46.628 -7.215 17.286 351 HD3 ARG 51 HD1 ARG 51 45.353 -6.084 16.846 352 HE ARG 51 HE ARG 51 45.393 -6.458 19.662 353 HH11 ARG 51 HH11 ARG 51 47.153 -4.975 17.044 354 HH12 ARG 51 HH12 ARG 51 47.813 -3.721 18.035 355 HH21 ARG 51 HH21 ARG 51 46.271 -4.805 20.940 356 HH22 ARG 51 HH22 ARG 51 47.318 -3.624 20.228 357 H SER 52 HN SER 52 41.579 -7.857 20.440 358 HA SER 52 HA SER 52 38.755 -7.391 19.837 359 HB2 SER 52 HB2 SER 52 39.254 -8.740 21.799 360 HB3 SER 52 HB1 SER 52 40.285 -7.468 22.449 361 HG SER 52 HG SER 52 38.495 -6.829 23.354 362 H CYS 53 HN CYS 53 38.831 -5.424 18.707 363 HA CYS 53 HA CYS 53 40.200 -3.124 19.726 364 HB2 CYS 53 HB2 CYS 53 39.008 -1.918 17.949 365 HB3 CYS 53 HB1 CYS 53 39.713 -3.402 17.329 366 H ASP 54 HN ASP 54 39.406 -1.385 20.858 367 HA ASP 54 HA ASP 54 37.291 -1.863 22.684 368 HB2 ASP 54 HB2 ASP 54 38.817 0.633 21.944 369 HB3 ASP 54 HB1 ASP 54 37.588 0.602 23.206 370 H LEU 55 HN LEU 55 35.193 -1.214 22.723 371 HA LEU 55 HA LEU 55 33.870 -0.691 20.272 372 HB2 LEU 55 HB2 LEU 55 32.954 -0.493 23.146 373 HB3 LEU 55 HB1 LEU 55 31.880 -0.260 21.765 374 HG LEU 55 HG LEU 55 33.564 -2.749 22.162 375 HD11 LEU 55 HD11 LEU 55 32.031 -2.727 23.998 376 HD12 LEU 55 HD12 LEU 55 31.302 -3.771 22.778 377 HD13 LEU 55 HD13 LEU 55 30.719 -2.119 22.987 378 HD21 LEU 55 HD21 LEU 55 31.761 -3.631 20.554 379 HD22 LEU 55 HD22 LEU 55 32.936 -2.511 19.869 380 HD23 LEU 55 HD23 LEU 55 31.320 -1.945 20.293 381 H ARG 56 HN ARG 56 34.844 1.379 22.970 382 HA ARG 56 HA ARG 56 33.530 3.724 22.183 383 HB2 ARG 56 HB2 ARG 56 34.622 3.447 24.375 384 HB3 ARG 56 HB1 ARG 56 36.200 3.448 23.586 385 HG2 ARG 56 HG2 ARG 56 35.836 5.717 22.769 386 HG3 ARG 56 HG1 ARG 56 34.199 5.719 23.427 387 HD2 ARG 56 HD2 ARG 56 35.069 5.500 25.694 388 HD3 ARG 56 HD1 ARG 56 36.714 5.382 25.078 389 HE ARG 56 HE ARG 56 35.718 7.777 24.107 390 HH11 ARG 56 HH11 ARG 56 36.237 6.286 27.215 391 HH12 ARG 56 HH12 ARG 56 36.512 7.788 28.025 392 HH21 ARG 56 HH21 ARG 56 36.086 9.732 25.191 393 HH22 ARG 56 HH22 ARG 56 36.428 9.726 26.890 394 H ARG 57 HN ARG 57 36.840 2.585 21.395 395 HA ARG 57 HA ARG 57 37.530 4.772 19.771 396 HB2 ARG 57 HB2 ARG 57 39.099 3.071 20.756 397 HB3 ARG 57 HB1 ARG 57 38.531 1.933 19.531 398 HG2 ARG 57 HG2 ARG 57 39.297 3.345 17.754 399 HG3 ARG 57 HG1 ARG 57 39.638 4.661 18.876 400 HD2 ARG 57 HD2 ARG 57 41.738 3.604 18.394 401 HD3 ARG 57 HD1 ARG 57 41.275 3.142 20.029 402 HE ARG 57 HE ARG 57 40.314 1.196 18.224 403 HH11 ARG 57 HH11 ARG 57 43.297 2.442 19.539 404 HH12 ARG 57 HH12 ARG 57 44.134 0.936 19.388 405 HH21 ARG 57 HH21 ARG 57 41.436 -0.762 18.039 406 HH22 ARG 57 HH22 ARG 57 43.088 -0.867 18.545 407 H LEU 58 HN LEU 58 35.920 1.702 19.121 408 HA LEU 58 HA LEU 58 35.969 1.759 16.324 409 HB2 LEU 58 HB2 LEU 58 35.116 -0.072 18.014 410 HB3 LEU 58 HB1 LEU 58 33.561 0.726 17.775 411 HG LEU 58 HG LEU 58 34.041 0.524 15.251 412 HD11 LEU 58 HD11 LEU 58 35.561 -1.363 14.683 413 HD12 LEU 58 HD12 LEU 58 36.040 -1.453 16.379 414 HD13 LEU 58 HD13 LEU 58 36.422 -0.022 15.431 415 HD21 LEU 58 HD21 LEU 58 33.380 -1.942 15.281 416 HD22 LEU 58 HD22 LEU 58 32.343 -0.863 16.218 417 HD23 LEU 58 HD23 LEU 58 33.541 -1.866 17.037 418 H ASP 59 HN ASP 59 33.935 3.440 18.624 419 HA ASP 59 HA ASP 59 31.833 4.224 16.947 420 HB2 ASP 59 HB2 ASP 59 31.943 4.563 19.426 421 HB3 ASP 59 HB1 ASP 59 33.074 5.886 19.146 422 H MET 60 HN MET 60 35.102 5.451 17.258 423 HA MET 60 HA MET 60 34.767 7.906 15.904 424 HB2 MET 60 HB2 MET 60 37.168 6.092 16.212 425 HB3 MET 60 HB1 MET 60 37.244 7.686 15.463 426 HG2 MET 60 HG2 MET 60 36.449 8.740 17.505 427 HG3 MET 60 HG1 MET 60 36.199 7.166 18.260 428 HE1 MET 60 HE1 MET 60 39.346 8.451 15.992 429 HE2 MET 60 HE2 MET 60 40.067 9.369 17.314 430 HE3 MET 60 HE3 MET 60 38.416 9.718 16.806 431 H TYR 61 HN TYR 61 34.767 4.654 14.765 432 HA TYR 61 HA TYR 61 35.615 5.232 12.090 433 HB2 TYR 61 HB2 TYR 61 34.248 2.837 13.340 434 HB3 TYR 61 HB1 TYR 61 34.760 2.884 11.653 435 HD1 TYR 61 HD1 TYR 61 37.113 4.885 13.237 436 HD2 TYR 61 HD2 TYR 61 35.911 0.757 13.039 437 HE1 TYR 61 HE1 TYR 61 39.351 4.201 13.999 438 HE2 TYR 61 HE2 TYR 61 38.167 0.080 13.806 439 HH TYR 61 HH TYR 61 40.072 1.002 14.977 440 H CYS 62 HN CYS 62 32.760 5.759 13.818 441 HA CYS 62 HA CYS 62 30.815 5.303 11.819 442 HB2 CYS 62 HB2 CYS 62 30.797 7.245 14.141 443 HB3 CYS 62 HB1 CYS 62 29.387 6.746 13.203 444 H ALA 63 HN ALA 63 29.605 6.991 10.682 445 HA ALA 63 HA ALA 63 31.371 9.210 9.846 446 HB1 ALA 63 HB1 ALA 63 31.042 7.570 8.077 447 HB2 ALA 63 HB2 ALA 63 30.269 9.101 7.670 448 HB3 ALA 63 HB3 ALA 63 29.293 7.741 8.227 449 HA PRO 64 HA PRO 64 27.799 11.252 11.958 450 HB2 PRO 64 HB2 PRO 64 29.695 13.533 11.623 451 HB3 PRO 64 HB1 PRO 64 28.803 13.010 13.066 452 HG2 PRO 64 HG2 PRO 64 31.406 12.568 12.845 453 HG3 PRO 64 HG1 PRO 64 30.331 11.360 13.577 454 HD2 PRO 64 HD2 PRO 64 31.567 11.367 10.839 455 HD3 PRO 64 HD1 PRO 64 31.282 10.006 11.945 456 H LEU 65 HN LEU 65 26.150 12.397 11.030 457 HA LEU 65 HA LEU 65 26.295 12.965 8.206 458 HB2 LEU 65 HB2 LEU 65 24.083 13.470 10.213 459 HB3 LEU 65 HB1 LEU 65 23.924 13.587 8.460 460 HG LEU 65 HG LEU 65 24.754 11.075 9.945 461 HD11 LEU 65 HD11 LEU 65 22.099 11.976 8.804 462 HD12 LEU 65 HD12 LEU 65 22.449 11.488 10.464 463 HD13 LEU 65 HD13 LEU 65 22.463 10.288 9.168 464 HD21 LEU 65 HD21 LEU 65 24.191 11.735 7.045 465 HD22 LEU 65 HD22 LEU 65 24.139 10.080 7.652 466 HD23 LEU 65 HD23 LEU 65 25.641 11.001 7.731 467 H LYS 66 HN LYS 66 26.089 14.979 7.197 468 HA LYS 66 HA LYS 66 26.522 17.327 8.945 469 HB2 LYS 66 HB2 LYS 66 27.742 16.781 6.227 470 HB3 LYS 66 HB1 LYS 66 28.001 18.221 7.210 471 HG2 LYS 66 HG2 LYS 66 29.130 16.980 8.912 472 HG3 LYS 66 HG1 LYS 66 28.624 15.438 8.222 473 HD2 LYS 66 HD2 LYS 66 29.987 15.786 6.269 474 HD3 LYS 66 HD1 LYS 66 30.399 17.422 6.789 475 HE2 LYS 66 HE2 LYS 66 32.239 15.875 7.324 476 HE3 LYS 66 HE1 LYS 66 31.504 16.482 8.807 477 HZ1 LYS 66 HZ1 LYS 66 30.472 14.485 9.223 478 HZ2 LYS 66 HZ2 LYS 66 31.935 13.963 8.536 479 HZ3 LYS 66 HZ3 LYS 66 30.517 13.987 7.603 480 HA PRO 67 HA PRO 67 22.829 17.924 6.143 481 HB2 PRO 67 HB2 PRO 67 21.114 18.718 8.115 482 HB3 PRO 67 HB1 PRO 67 21.361 17.017 7.672 483 HG2 PRO 67 HG2 PRO 67 22.496 18.565 9.951 484 HG3 PRO 67 HG1 PRO 67 21.896 16.899 9.903 485 HD2 PRO 67 HD2 PRO 67 24.560 17.521 9.835 486 HD3 PRO 67 HD1 PRO 67 23.885 16.061 9.078 487 H ALA 68 HN ALA 68 21.939 19.922 5.463 488 HA ALA 68 HA ALA 68 23.563 22.193 5.804 489 HB1 ALA 68 HB1 ALA 68 21.441 23.356 4.800 490 HB2 ALA 68 HB2 ALA 68 20.861 21.702 4.608 491 HB3 ALA 68 HB3 ALA 68 22.353 22.210 3.818 492 H LYS 69 HN LYS 69 20.479 21.281 7.267 493 HA LYS 69 HA LYS 69 19.987 23.685 8.651 494 HB2 LYS 69 HB2 LYS 69 18.299 21.912 8.347 495 HB3 LYS 69 HB1 LYS 69 19.205 20.869 9.443 496 HG2 LYS 69 HG2 LYS 69 18.951 22.561 11.240 497 HG3 LYS 69 HG1 LYS 69 17.997 23.562 10.146 498 HD2 LYS 69 HD2 LYS 69 17.266 20.713 10.871 499 HD3 LYS 69 HD1 LYS 69 16.622 22.127 11.706 500 HE2 LYS 69 HE2 LYS 69 15.778 22.981 9.510 501 HE3 LYS 69 HE1 LYS 69 16.314 21.478 8.760 502 HZ1 LYS 69 HZ1 LYS 69 14.726 20.261 9.832 503 HZ2 LYS 69 HZ2 LYS 69 13.890 21.724 9.622 504 HZ3 LYS 69 HZ3 LYS 69 14.585 21.350 11.126 505 H SER 70 HN SER 70 21.683 20.723 9.638 506 HA SER 70 HA SER 70 23.115 20.290 11.383 507 HB2 SER 70 HB2 SER 70 23.636 23.258 11.112 508 HB3 SER 70 HB1 SER 70 24.648 22.126 12.003 509 HG SER 70 HG SER 70 24.846 22.711 9.495 510 H ALA 71 HN ALA 71 20.383 20.795 12.053 511 HA ALA 71 HA ALA 71 20.710 21.344 14.875 512 HB1 ALA 71 HB1 ALA 71 18.842 23.098 13.260 513 HB2 ALA 71 HB2 ALA 71 20.400 23.621 13.898 514 HB3 ALA 71 HB3 ALA 71 19.106 23.159 15.002 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 30.191 -12.531 18.230 2 H2 GLY 1 HT2 GLY 1 29.494 -13.022 16.761 3 H3 GLY 1 HT3 GLY 1 31.181 -12.867 16.895 4 HA2 GLY 1 HA2 GLY 1 29.712 -14.742 18.632 5 HA3 GLY 1 HA1 GLY 1 30.166 -15.207 16.992 6 H GLY 2 HN GLY 2 31.269 -16.671 18.939 7 HA2 GLY 2 HA2 GLY 2 33.317 -17.495 19.602 8 HA3 GLY 2 HA1 GLY 2 34.061 -16.282 18.564 9 HA PRO 3 HA PRO 3 34.933 -15.088 22.957 10 HB2 PRO 3 HB2 PRO 3 37.597 -14.609 22.569 11 HB3 PRO 3 HB1 PRO 3 36.945 -16.210 22.965 12 HG2 PRO 3 HG2 PRO 3 37.820 -15.117 20.344 13 HG3 PRO 3 HG1 PRO 3 38.003 -16.749 21.009 14 HD2 PRO 3 HD2 PRO 3 36.083 -16.065 19.155 15 HD3 PRO 3 HD1 PRO 3 35.915 -17.414 20.301 16 H GLU 4 HN GLU 4 33.528 -13.286 21.939 17 HA GLU 4 HA GLU 4 33.185 -11.052 21.536 18 HB2 GLU 4 HB2 GLU 4 35.959 -10.813 22.724 19 HB3 GLU 4 HB1 GLU 4 34.814 -9.489 22.513 20 HG2 GLU 4 HG2 GLU 4 34.262 -11.979 24.153 21 HG3 GLU 4 HG1 GLU 4 34.804 -10.443 24.830 22 H THR 5 HN THR 5 34.011 -12.518 19.323 23 HA THR 5 HA THR 5 35.869 -10.689 17.947 24 HB THR 5 HB THR 5 35.148 -13.560 17.307 25 HG1 THR 5 HG1 THR 5 36.554 -13.176 19.117 26 HG21 THR 5 HG21 THR 5 35.603 -12.513 15.241 27 HG22 THR 5 HG22 THR 5 37.143 -13.227 15.712 28 HG23 THR 5 HG23 THR 5 36.870 -11.501 15.931 29 H LEU 6 HN LEU 6 35.076 -9.438 16.381 30 HA LEU 6 HA LEU 6 32.438 -10.144 15.234 31 HB2 LEU 6 HB2 LEU 6 33.573 -7.366 15.659 32 HB3 LEU 6 HB1 LEU 6 31.965 -7.766 15.054 33 HG LEU 6 HG LEU 6 33.031 -8.500 17.797 34 HD11 LEU 6 HD11 LEU 6 31.490 -6.812 18.636 35 HD12 LEU 6 HD12 LEU 6 30.910 -6.482 17.006 36 HD13 LEU 6 HD13 LEU 6 32.562 -6.062 17.453 37 HD21 LEU 6 HD21 LEU 6 30.369 -8.922 16.413 38 HD22 LEU 6 HD22 LEU 6 30.570 -9.053 18.158 39 HD23 LEU 6 HD23 LEU 6 31.437 -10.151 17.087 40 H CYS 7 HN CYS 7 32.986 -11.057 13.322 41 HA CYS 7 HA CYS 7 34.586 -9.396 11.475 42 HB2 CYS 7 HB2 CYS 7 34.655 -12.416 11.703 43 HB3 CYS 7 HB1 CYS 7 35.529 -11.451 10.513 44 H GLY 8 HN GLY 8 34.073 -9.692 9.217 45 HA2 GLY 8 HA2 GLY 8 32.603 -9.846 7.455 46 HA3 GLY 8 HA1 GLY 8 31.994 -11.303 8.236 47 H ALA 9 HN ALA 9 29.865 -11.203 8.490 48 HA ALA 9 HA ALA 9 28.311 -8.871 8.348 49 HB1 ALA 9 HB1 ALA 9 27.828 -11.692 9.183 50 HB2 ALA 9 HB2 ALA 9 27.031 -10.735 7.935 51 HB3 ALA 9 HB3 ALA 9 26.621 -10.485 9.634 52 H GLU 10 HN GLU 10 29.690 -10.591 11.106 53 HA GLU 10 HA GLU 10 28.307 -9.288 13.170 54 HB2 GLU 10 HB2 GLU 10 31.087 -10.471 13.047 55 HB3 GLU 10 HB1 GLU 10 30.377 -9.848 14.533 56 HG2 GLU 10 HG2 GLU 10 28.555 -11.428 14.406 57 HG3 GLU 10 HG1 GLU 10 29.067 -11.960 12.805 58 H LEU 11 HN LEU 11 31.311 -8.412 11.487 59 HA LEU 11 HA LEU 11 31.913 -6.140 13.049 60 HB2 LEU 11 HB2 LEU 11 33.588 -7.141 11.598 61 HB3 LEU 11 HB1 LEU 11 32.610 -6.782 10.174 62 HG LEU 11 HG LEU 11 32.808 -4.364 10.645 63 HD11 LEU 11 HD11 LEU 11 33.002 -4.306 13.023 64 HD12 LEU 11 HD12 LEU 11 34.548 -3.723 12.406 65 HD13 LEU 11 HD13 LEU 11 34.405 -5.376 13.006 66 HD21 LEU 11 HD21 LEU 11 35.070 -4.118 9.943 67 HD22 LEU 11 HD22 LEU 11 34.545 -5.675 9.301 68 HD23 LEU 11 HD23 LEU 11 35.556 -5.612 10.745 69 H VAL 12 HN VAL 12 30.154 -6.484 9.981 70 HA VAL 12 HA VAL 12 29.627 -3.755 9.588 71 HB VAL 12 HB VAL 12 28.298 -6.279 8.632 72 HG11 VAL 12 HG11 VAL 12 27.450 -3.396 8.208 73 HG12 VAL 12 HG12 VAL 12 26.454 -4.749 8.737 74 HG13 VAL 12 HG13 VAL 12 27.024 -4.675 7.071 75 HG21 VAL 12 HG21 VAL 12 29.147 -5.360 6.445 76 HG22 VAL 12 HG22 VAL 12 30.420 -5.733 7.607 77 HG23 VAL 12 HG23 VAL 12 29.924 -4.061 7.351 78 H ASP 13 HN ASP 13 27.703 -6.296 11.152 79 HA ASP 13 HA ASP 13 25.463 -4.706 11.767 80 HB2 ASP 13 HB2 ASP 13 26.572 -7.222 13.016 81 HB3 ASP 13 HB1 ASP 13 25.067 -6.475 13.553 82 H ALA 14 HN ALA 14 28.436 -5.398 13.562 83 HA ALA 14 HA ALA 14 27.709 -4.117 15.968 84 HB1 ALA 14 HB1 ALA 14 29.708 -5.667 15.497 85 HB2 ALA 14 HB2 ALA 14 29.974 -4.300 16.583 86 HB3 ALA 14 HB3 ALA 14 30.525 -4.219 14.909 87 H LEU 15 HN LEU 15 29.335 -2.926 13.048 88 HA LEU 15 HA LEU 15 29.936 -0.341 13.990 89 HB2 LEU 15 HB2 LEU 15 29.412 -1.405 11.211 90 HB3 LEU 15 HB1 LEU 15 29.927 0.253 11.522 91 HG LEU 15 HG LEU 15 31.441 -2.161 12.545 92 HD11 LEU 15 HD11 LEU 15 32.169 -0.479 10.137 93 HD12 LEU 15 HD12 LEU 15 31.268 -1.988 9.992 94 HD13 LEU 15 HD13 LEU 15 32.897 -1.997 10.665 95 HD21 LEU 15 HD21 LEU 15 31.970 -0.171 13.782 96 HD22 LEU 15 HD22 LEU 15 32.016 0.803 12.314 97 HD23 LEU 15 HD23 LEU 15 33.273 -0.389 12.623 98 H GLN 16 HN GLN 16 27.073 -1.629 12.348 99 HA GLN 16 HA GLN 16 25.688 0.837 12.117 100 HB2 GLN 16 HB2 GLN 16 25.112 -1.241 10.861 101 HB3 GLN 16 HB1 GLN 16 24.502 -1.935 12.364 102 HG2 GLN 16 HG2 GLN 16 22.895 -0.080 12.572 103 HG3 GLN 16 HG1 GLN 16 23.503 0.622 11.077 104 HE21 GLN 16 HE21 GLN 16 20.863 0.081 10.936 105 HE22 GLN 16 HE22 GLN 16 20.552 -1.346 10.071 106 H PHE 17 HN PHE 17 25.818 -1.638 14.639 107 HA PHE 17 HA PHE 17 23.752 -0.665 16.280 108 HB2 PHE 17 HB2 PHE 17 24.604 -2.823 16.765 109 HB3 PHE 17 HB1 PHE 17 26.263 -2.233 16.877 110 HD1 PHE 17 HD1 PHE 17 22.950 -2.279 18.541 111 HD2 PHE 17 HD2 PHE 17 27.094 -1.148 18.866 112 HE1 PHE 17 HE1 PHE 17 22.644 -1.860 20.967 113 HE2 PHE 17 HE2 PHE 17 26.778 -0.741 21.295 114 HZ PHE 17 HZ PHE 17 24.557 -1.093 22.345 115 H VAL 18 HN VAL 18 27.249 0.005 16.321 116 HA VAL 18 HA VAL 18 27.222 1.761 18.521 117 HB VAL 18 HB VAL 18 29.099 1.563 16.157 118 HG11 VAL 18 HG11 VAL 18 29.246 3.197 18.695 119 HG12 VAL 18 HG12 VAL 18 29.344 3.784 17.034 120 HG13 VAL 18 HG13 VAL 18 30.662 2.826 17.712 121 HG21 VAL 18 HG21 VAL 18 29.125 -0.422 17.531 122 HG22 VAL 18 HG22 VAL 18 29.156 0.538 19.009 123 HG23 VAL 18 HG23 VAL 18 30.559 0.518 17.942 124 H CYS 19 HN CYS 19 27.081 2.422 15.026 125 HA CYS 19 HA CYS 19 26.367 5.224 15.622 126 HB2 CYS 19 HB2 CYS 19 27.246 3.905 13.041 127 HB3 CYS 19 HB1 CYS 19 26.837 5.600 13.216 128 H GLY 20 HN GLY 20 25.481 3.130 12.893 129 HA2 GLY 20 HA2 GLY 20 23.451 2.650 11.940 130 HA3 GLY 20 HA1 GLY 20 22.776 2.796 13.560 131 H ASP 21 HN ASP 21 24.467 5.414 11.988 132 HA ASP 21 HA ASP 21 21.960 6.743 11.275 133 HB2 ASP 21 HB2 ASP 21 23.130 8.811 12.538 134 HB3 ASP 21 HB1 ASP 21 21.967 7.738 13.322 135 H ARG 22 HN ARG 22 25.197 8.061 11.876 136 HA ARG 22 HA ARG 22 25.312 9.462 9.434 137 HB2 ARG 22 HB2 ARG 22 27.494 8.606 11.344 138 HB3 ARG 22 HB1 ARG 22 27.759 9.679 9.970 139 HG2 ARG 22 HG2 ARG 22 25.989 11.198 10.887 140 HG3 ARG 22 HG1 ARG 22 25.903 10.166 12.314 141 HD2 ARG 22 HD2 ARG 22 27.393 12.006 12.815 142 HD3 ARG 22 HD1 ARG 22 28.361 10.546 12.662 143 HE ARG 22 HE ARG 22 29.348 11.456 10.758 144 HH11 ARG 22 HH11 ARG 22 26.490 13.225 11.654 145 HH12 ARG 22 HH12 ARG 22 26.771 14.497 10.529 146 HH21 ARG 22 HH21 ARG 22 29.704 13.142 9.276 147 HH22 ARG 22 HH22 ARG 22 28.581 14.458 9.183 148 H GLY 23 HN GLY 23 26.550 6.294 10.408 149 HA2 GLY 23 HA2 GLY 23 26.605 4.499 8.784 150 HA3 GLY 23 HA1 GLY 23 27.022 5.688 7.556 151 H PHE 24 HN PHE 24 28.617 3.592 7.571 152 HA PHE 24 HA PHE 24 31.141 4.665 8.590 153 HB2 PHE 24 HB2 PHE 24 31.769 2.422 9.502 154 HB3 PHE 24 HB1 PHE 24 30.463 3.200 10.397 155 HD1 PHE 24 HD1 PHE 24 31.365 0.471 8.099 156 HD2 PHE 24 HD2 PHE 24 28.155 2.394 10.208 157 HE1 PHE 24 HE1 PHE 24 29.902 -1.473 7.651 158 HE2 PHE 24 HE2 PHE 24 26.689 0.446 9.763 159 HZ PHE 24 HZ PHE 24 27.566 -1.487 8.481 160 H TYR 25 HN TYR 25 32.975 3.887 7.487 161 HA TYR 25 HA TYR 25 32.616 1.979 5.315 162 HB2 TYR 25 HB2 TYR 25 33.277 3.478 3.554 163 HB3 TYR 25 HB1 TYR 25 31.919 4.221 4.399 164 HD1 TYR 25 HD1 TYR 25 35.531 4.378 3.752 165 HD2 TYR 25 HD2 TYR 25 32.251 6.147 5.889 166 HE1 TYR 25 HE1 TYR 25 36.927 6.364 4.250 167 HE2 TYR 25 HE2 TYR 25 33.650 8.132 6.386 168 HH TYR 25 HH TYR 25 36.746 8.625 4.886 169 H PHE 26 HN PHE 26 34.697 1.527 4.208 170 HA PHE 26 HA PHE 26 37.019 2.110 5.946 171 HB2 PHE 26 HB2 PHE 26 36.300 -0.513 4.617 172 HB3 PHE 26 HB1 PHE 26 37.836 -0.186 5.423 173 HD1 PHE 26 HD1 PHE 26 34.208 -0.662 5.899 174 HD2 PHE 26 HD2 PHE 26 37.981 0.034 7.847 175 HE1 PHE 26 HE1 PHE 26 33.182 -1.216 8.087 176 HE2 PHE 26 HE2 PHE 26 36.950 -0.527 10.029 177 HZ PHE 26 HZ PHE 26 34.554 -1.145 10.152 178 H ASN 27 HN ASN 27 38.899 2.637 4.933 179 HA ASN 27 HA ASN 27 38.739 3.227 2.089 180 HB2 ASN 27 HB2 ASN 27 40.814 4.411 2.406 181 HB3 ASN 27 HB1 ASN 27 39.747 4.812 3.752 182 HD21 ASN 27 HD21 ASN 27 42.536 5.110 4.079 183 HD22 ASN 27 HD22 ASN 27 43.101 3.923 5.152 184 H LYS 28 HN LYS 28 40.959 2.817 0.895 185 HA LYS 28 HA LYS 28 41.242 -0.044 0.789 186 HB2 LYS 28 HB2 LYS 28 42.591 2.154 -0.793 187 HB3 LYS 28 HB1 LYS 28 42.750 0.432 -1.133 188 HG2 LYS 28 HG2 LYS 28 40.092 1.873 -1.038 189 HG3 LYS 28 HG1 LYS 28 40.999 1.599 -2.525 190 HD2 LYS 28 HD2 LYS 28 40.965 -0.856 -2.032 191 HD3 LYS 28 HD1 LYS 28 39.925 -0.527 -0.651 192 HE2 LYS 28 HE2 LYS 28 38.249 0.493 -2.134 193 HE3 LYS 28 HE1 LYS 28 39.282 0.164 -3.526 194 HZ1 LYS 28 HZ1 LYS 28 38.261 -1.923 -1.679 195 HZ2 LYS 28 HZ2 LYS 28 39.105 -2.168 -3.133 196 HZ3 LYS 28 HZ3 LYS 28 37.534 -1.524 -3.158 197 HA PRO 29 HA PRO 29 44.846 -0.446 3.281 198 HB2 PRO 29 HB2 PRO 29 46.146 -2.478 1.971 199 HB3 PRO 29 HB1 PRO 29 44.719 -2.723 2.996 200 HG2 PRO 29 HG2 PRO 29 44.921 -2.553 0.028 201 HG3 PRO 29 HG1 PRO 29 43.927 -3.621 1.035 202 HD2 PRO 29 HD2 PRO 29 42.916 -1.417 -0.189 203 HD3 PRO 29 HD1 PRO 29 42.288 -2.018 1.359 204 H THR 30 HN THR 30 45.253 -0.033 -0.187 205 HA THR 30 HA THR 30 47.862 1.260 0.317 206 HB THR 30 HB THR 30 47.014 -0.312 -2.131 207 HG1 THR 30 HG1 THR 30 48.685 -1.698 -1.405 208 HG21 THR 30 HG21 THR 30 49.612 1.089 -1.447 209 HG22 THR 30 HG22 THR 30 48.462 1.594 -2.683 210 HG23 THR 30 HG23 THR 30 49.341 0.077 -2.865 211 H GLY 31 HN GLY 31 47.970 3.345 -0.259 212 HA2 GLY 31 HA2 GLY 31 47.527 4.881 -2.219 213 HA3 GLY 31 HA1 GLY 31 45.841 4.416 -2.003 214 H TYR 32 HN TYR 32 46.994 4.398 1.041 215 HA TYR 32 HA TYR 32 46.513 7.255 1.460 216 HB2 TYR 32 HB2 TYR 32 45.520 4.943 3.134 217 HB3 TYR 32 HB1 TYR 32 45.358 6.638 3.566 218 HD1 TYR 32 HD1 TYR 32 44.196 3.963 1.347 219 HD2 TYR 32 HD2 TYR 32 43.883 8.142 2.289 220 HE1 TYR 32 HE1 TYR 32 42.144 4.120 -0.037 221 HE2 TYR 32 HE2 TYR 32 41.831 8.300 0.904 222 HH TYR 32 HH TYR 32 40.167 5.543 -0.233 223 H GLY 33 HN GLY 33 47.724 8.266 3.053 224 HA2 GLY 33 HA2 GLY 33 49.261 8.371 4.846 225 HA3 GLY 33 HA1 GLY 33 49.621 6.664 4.608 226 H SER 34 HN SER 34 51.577 8.722 4.897 227 HA SER 34 HA SER 34 52.763 8.784 2.189 228 HB2 SER 34 HB2 SER 34 53.183 10.642 4.538 229 HB3 SER 34 HB1 SER 34 54.103 10.706 3.038 230 HG SER 34 HG SER 34 51.275 10.897 3.249 231 H SER 35 HN SER 35 52.871 7.005 4.892 232 HA SER 35 HA SER 35 55.665 6.280 4.466 233 HB2 SER 35 HB2 SER 35 55.823 7.862 6.293 234 HB3 SER 35 HB1 SER 35 54.504 7.066 7.148 235 HG SER 35 HG SER 35 55.800 5.367 7.569 236 H SER 36 HN SER 36 55.773 4.148 4.258 237 HA SER 36 HA SER 36 53.567 2.438 4.708 238 HB2 SER 36 HB2 SER 36 55.089 0.626 4.125 239 HB3 SER 36 HB1 SER 36 55.335 1.986 3.034 240 HG SER 36 HG SER 36 57.275 1.013 3.989 241 H ARG 37 HN ARG 37 56.263 3.394 6.667 242 HA ARG 37 HA ARG 37 56.232 1.312 8.568 243 HB2 ARG 37 HB2 ARG 37 58.055 2.965 8.405 244 HB3 ARG 37 HB1 ARG 37 56.959 4.220 8.983 245 HG2 ARG 37 HG2 ARG 37 56.634 2.991 11.087 246 HG3 ARG 37 HG1 ARG 37 57.696 1.705 10.510 247 HD2 ARG 37 HD2 ARG 37 59.560 3.299 10.358 248 HD3 ARG 37 HD1 ARG 37 58.504 4.598 10.906 249 HE ARG 37 HE ARG 37 58.419 2.537 12.817 250 HH11 ARG 37 HH11 ARG 37 60.627 4.848 11.457 251 HH12 ARG 37 HH12 ARG 37 61.569 4.986 12.895 252 HH21 ARG 37 HH21 ARG 37 59.666 2.726 14.705 253 HH22 ARG 37 HH22 ARG 37 61.032 3.790 14.732 254 H ARG 38 HN ARG 38 54.507 4.413 8.453 255 HA ARG 38 HA ARG 38 53.185 4.104 10.951 256 HB2 ARG 38 HB2 ARG 38 53.434 6.287 9.841 257 HB3 ARG 38 HB1 ARG 38 52.373 5.744 8.540 258 HG2 ARG 38 HG2 ARG 38 50.520 5.480 10.086 259 HG3 ARG 38 HG1 ARG 38 51.566 5.836 11.462 260 HD2 ARG 38 HD2 ARG 38 50.286 7.830 10.871 261 HD3 ARG 38 HD1 ARG 38 51.991 8.093 10.519 262 HE ARG 38 HE ARG 38 50.610 7.088 8.229 263 HH11 ARG 38 HH11 ARG 38 51.141 9.913 10.181 264 HH12 ARG 38 HH12 ARG 38 50.845 11.017 8.890 265 HH21 ARG 38 HH21 ARG 38 50.221 8.551 6.537 266 HH22 ARG 38 HH22 ARG 38 50.326 10.255 6.829 267 H ALA 39 HN ALA 39 52.308 3.309 7.617 268 HA ALA 39 HA ALA 39 50.092 1.664 8.677 269 HB1 ALA 39 HB1 ALA 39 50.063 3.532 6.305 270 HB2 ALA 39 HB2 ALA 39 49.001 3.548 7.714 271 HB3 ALA 39 HB3 ALA 39 48.871 2.251 6.525 272 HA PRO 40 HA PRO 40 52.862 -0.809 5.910 273 HB2 PRO 40 HB2 PRO 40 53.401 -2.805 7.682 274 HB3 PRO 40 HB1 PRO 40 54.338 -1.300 7.613 275 HG2 PRO 40 HG2 PRO 40 52.250 -2.145 9.538 276 HG3 PRO 40 HG1 PRO 40 53.695 -1.156 9.796 277 HD2 PRO 40 HD2 PRO 40 51.102 -0.154 9.524 278 HD3 PRO 40 HD1 PRO 40 52.587 0.790 9.302 279 H GLN 41 HN GLN 41 50.538 -0.963 5.026 280 HA GLN 41 HA GLN 41 48.752 -2.227 4.321 281 HB2 GLN 41 HB2 GLN 41 50.673 -4.465 5.006 282 HB3 GLN 41 HB1 GLN 41 49.209 -4.645 4.039 283 HG2 GLN 41 HG2 GLN 41 50.864 -4.353 2.403 284 HG3 GLN 41 HG1 GLN 41 50.218 -2.724 2.592 285 HE21 GLN 41 HE21 GLN 41 52.036 -1.388 2.334 286 HE22 GLN 41 HE22 GLN 41 53.480 -1.564 3.209 287 H THR 42 HN THR 42 48.381 -1.312 6.855 288 HA THR 42 HA THR 42 47.276 -3.627 8.323 289 HB THR 42 HB THR 42 48.063 -0.899 9.358 290 HG1 THR 42 HG1 THR 42 49.920 -1.917 9.243 291 HG21 THR 42 HG21 THR 42 47.657 -1.989 11.585 292 HG22 THR 42 HG22 THR 42 46.942 -3.352 10.726 293 HG23 THR 42 HG23 THR 42 46.197 -1.758 10.625 294 H GLY 43 HN GLY 43 45.127 -3.729 8.648 295 HA2 GLY 43 HA2 GLY 43 43.502 -1.393 7.872 296 HA3 GLY 43 HA1 GLY 43 43.023 -3.058 7.551 297 H ILE 44 HN ILE 44 41.996 -0.700 9.277 298 HA ILE 44 HA ILE 44 42.073 -1.428 11.989 299 HB ILE 44 HB ILE 44 40.132 0.002 12.266 300 HG12 ILE 44 HG12 ILE 44 39.954 0.024 9.239 301 HG13 ILE 44 HG11 ILE 44 38.880 -0.906 10.275 302 HG21 ILE 44 HG21 ILE 44 42.432 0.955 11.678 303 HG22 ILE 44 HG22 ILE 44 41.051 2.018 11.398 304 HG23 ILE 44 HG23 ILE 44 41.800 1.174 10.042 305 HD11 ILE 44 HD11 ILE 44 37.914 1.008 11.231 306 HD12 ILE 44 HD12 ILE 44 38.065 1.416 9.526 307 HD13 ILE 44 HD13 ILE 44 39.211 2.061 10.681 308 H VAL 45 HN VAL 45 40.230 -2.664 9.316 309 HA VAL 45 HA VAL 45 38.157 -3.952 10.747 310 HB VAL 45 HB VAL 45 39.442 -4.520 8.073 311 HG11 VAL 45 HG11 VAL 45 37.205 -5.946 9.525 312 HG12 VAL 45 HG12 VAL 45 38.611 -6.649 8.723 313 HG13 VAL 45 HG13 VAL 45 37.306 -5.942 7.765 314 HG21 VAL 45 HG21 VAL 45 36.903 -3.183 9.040 315 HG22 VAL 45 HG22 VAL 45 37.075 -3.747 7.378 316 HG23 VAL 45 HG23 VAL 45 38.169 -2.518 8.008 317 H ASP 46 HN ASP 46 41.343 -5.094 9.667 318 HA ASP 46 HA ASP 46 41.075 -7.729 10.668 319 HB2 ASP 46 HB2 ASP 46 43.475 -6.035 9.981 320 HB3 ASP 46 HB1 ASP 46 43.621 -7.697 10.549 321 H GLU 47 HN GLU 47 42.090 -4.691 12.110 322 HA GLU 47 HA GLU 47 43.388 -5.711 14.395 323 HB2 GLU 47 HB2 GLU 47 41.788 -3.164 13.982 324 HB3 GLU 47 HB1 GLU 47 42.765 -3.491 15.413 325 HG2 GLU 47 HG2 GLU 47 43.802 -3.436 12.567 326 HG3 GLU 47 HG1 GLU 47 44.017 -2.148 13.752 327 H CYS 48 HN CYS 48 39.994 -4.641 14.024 328 HA CYS 48 HA CYS 48 39.214 -5.598 16.624 329 HB2 CYS 48 HB2 CYS 48 37.605 -4.766 14.207 330 HB3 CYS 48 HB1 CYS 48 36.910 -5.215 15.746 331 H CYS 49 HN CYS 49 38.972 -6.867 13.324 332 HA CYS 49 HA CYS 49 37.351 -9.076 13.885 333 HB2 CYS 49 HB2 CYS 49 37.809 -8.321 11.595 334 HB3 CYS 49 HB1 CYS 49 39.501 -8.789 11.775 335 H PHE 50 HN PHE 50 40.892 -8.827 13.766 336 HA PHE 50 HA PHE 50 41.184 -11.540 14.725 337 HB2 PHE 50 HB2 PHE 50 43.137 -9.392 13.931 338 HB3 PHE 50 HB1 PHE 50 43.673 -10.903 14.672 339 HD1 PHE 50 HD1 PHE 50 41.854 -9.411 11.783 340 HD2 PHE 50 HD2 PHE 50 43.683 -12.940 13.412 341 HE1 PHE 50 HE1 PHE 50 41.667 -10.515 9.574 342 HE2 PHE 50 HE2 PHE 50 43.501 -14.053 11.204 343 HZ PHE 50 HZ PHE 50 42.496 -12.845 9.286 344 H ARG 51 HN ARG 51 42.622 -8.456 15.814 345 HA ARG 51 HA ARG 51 42.889 -9.437 18.519 346 HB2 ARG 51 HB2 ARG 51 43.389 -6.688 17.363 347 HB3 ARG 51 HB1 ARG 51 43.841 -7.216 18.981 348 HG2 ARG 51 HG2 ARG 51 45.231 -9.017 17.972 349 HG3 ARG 51 HG1 ARG 51 44.831 -8.397 16.369 350 HD2 ARG 51 HD2 ARG 51 46.963 -7.459 16.983 351 HD3 ARG 51 HD1 ARG 51 45.774 -6.169 17.091 352 HE ARG 51 HE ARG 51 46.106 -6.116 19.397 353 HH11 ARG 51 HH11 ARG 51 47.489 -8.982 17.991 354 HH12 ARG 51 HH12 ARG 51 48.303 -9.449 19.433 355 HH21 ARG 51 HH21 ARG 51 47.183 -6.749 21.293 356 HH22 ARG 51 HH22 ARG 51 48.136 -8.195 21.302 357 H SER 52 HN SER 52 42.019 -8.222 20.378 358 HA SER 52 HA SER 52 39.199 -7.618 19.944 359 HB2 SER 52 HB2 SER 52 39.754 -9.094 21.793 360 HB3 SER 52 HB1 SER 52 40.850 -7.891 22.468 361 HG SER 52 HG SER 52 38.301 -8.154 22.958 362 H CYS 53 HN CYS 53 38.628 -5.602 19.459 363 HA CYS 53 HA CYS 53 40.190 -3.371 20.614 364 HB2 CYS 53 HB2 CYS 53 39.517 -2.042 18.742 365 HB3 CYS 53 HB1 CYS 53 40.079 -3.576 18.097 366 H ASP 54 HN ASP 54 39.183 -1.859 21.840 367 HA ASP 54 HA ASP 54 36.725 -2.480 23.071 368 HB2 ASP 54 HB2 ASP 54 38.372 0.046 22.995 369 HB3 ASP 54 HB1 ASP 54 36.897 -0.098 23.945 370 H LEU 55 HN LEU 55 34.683 -1.558 22.898 371 HA LEU 55 HA LEU 55 33.827 -0.887 20.276 372 HB2 LEU 55 HB2 LEU 55 32.460 -0.697 22.965 373 HB3 LEU 55 HB1 LEU 55 31.652 -0.333 21.439 374 HG LEU 55 HG LEU 55 33.064 -2.957 21.972 375 HD11 LEU 55 HD11 LEU 55 30.954 -3.923 22.545 376 HD12 LEU 55 HD12 LEU 55 30.079 -2.462 22.081 377 HD13 LEU 55 HD13 LEU 55 31.093 -2.463 23.524 378 HD21 LEU 55 HD21 LEU 55 31.194 -1.901 19.837 379 HD22 LEU 55 HD22 LEU 55 31.462 -3.627 20.073 380 HD23 LEU 55 HD23 LEU 55 32.807 -2.580 19.628 381 H ARG 56 HN ARG 56 34.638 1.019 23.122 382 HA ARG 56 HA ARG 56 33.565 3.473 22.378 383 HB2 ARG 56 HB2 ARG 56 34.550 3.060 24.591 384 HB3 ARG 56 HB1 ARG 56 36.150 2.927 23.863 385 HG2 ARG 56 HG2 ARG 56 35.869 5.172 24.783 386 HG3 ARG 56 HG1 ARG 56 35.923 5.269 23.028 387 HD2 ARG 56 HD2 ARG 56 33.523 5.458 22.890 388 HD3 ARG 56 HD1 ARG 56 33.351 5.123 24.610 389 HE ARG 56 HE ARG 56 34.972 7.374 24.395 390 HH11 ARG 56 HH11 ARG 56 31.764 6.378 23.507 391 HH12 ARG 56 HH12 ARG 56 31.097 7.963 23.639 392 HH21 ARG 56 HH21 ARG 56 34.084 9.456 24.567 393 HH22 ARG 56 HH22 ARG 56 32.402 9.705 24.238 394 H ARG 57 HN ARG 57 36.790 2.145 21.667 395 HA ARG 57 HA ARG 57 37.533 4.381 20.012 396 HB2 ARG 57 HB2 ARG 57 39.519 3.050 19.486 397 HB3 ARG 57 HB1 ARG 57 39.215 3.038 21.223 398 HG2 ARG 57 HG2 ARG 57 38.167 0.856 21.072 399 HG3 ARG 57 HG1 ARG 57 38.319 0.858 19.315 400 HD2 ARG 57 HD2 ARG 57 40.663 1.028 21.218 401 HD3 ARG 57 HD1 ARG 57 40.096 -0.471 20.489 402 HE ARG 57 HE ARG 57 40.527 1.387 18.427 403 HH11 ARG 57 HH11 ARG 57 42.279 -0.373 20.855 404 HH12 ARG 57 HH12 ARG 57 43.736 -0.446 19.934 405 HH21 ARG 57 HH21 ARG 57 42.449 1.285 17.222 406 HH22 ARG 57 HH22 ARG 57 43.837 0.487 17.882 407 H LEU 58 HN LEU 58 35.830 1.418 19.558 408 HA LEU 58 HA LEU 58 36.302 0.996 16.821 409 HB2 LEU 58 HB2 LEU 58 35.274 -0.704 18.278 410 HB3 LEU 58 HB1 LEU 58 33.841 0.306 18.439 411 HG LEU 58 HG LEU 58 33.535 0.212 15.968 412 HD11 LEU 58 HD11 LEU 58 35.790 -0.187 15.234 413 HD12 LEU 58 HD12 LEU 58 34.844 -1.601 14.779 414 HD13 LEU 58 HD13 LEU 58 35.900 -1.658 16.190 415 HD21 LEU 58 HD21 LEU 58 33.702 -2.434 17.431 416 HD22 LEU 58 HD22 LEU 58 32.864 -2.196 15.895 417 HD23 LEU 58 HD23 LEU 58 32.304 -1.361 17.349 418 H ASP 59 HN ASP 59 34.083 3.080 18.550 419 HA ASP 59 HA ASP 59 32.273 3.738 16.552 420 HB2 ASP 59 HB2 ASP 59 32.249 4.491 18.975 421 HB3 ASP 59 HB1 ASP 59 33.416 5.727 18.514 422 H MET 60 HN MET 60 35.630 4.523 16.816 423 HA MET 60 HA MET 60 35.667 6.832 15.161 424 HB2 MET 60 HB2 MET 60 37.786 4.800 15.875 425 HB3 MET 60 HB1 MET 60 38.111 6.220 14.889 426 HG2 MET 60 HG2 MET 60 37.124 7.617 16.769 427 HG3 MET 60 HG1 MET 60 37.123 6.151 17.750 428 HE1 MET 60 HE1 MET 60 40.729 5.190 18.235 429 HE2 MET 60 HE2 MET 60 39.604 4.551 17.040 430 HE3 MET 60 HE3 MET 60 39.027 4.962 18.654 431 H TYR 61 HN TYR 61 34.954 3.633 14.446 432 HA TYR 61 HA TYR 61 36.156 3.401 11.880 433 HB2 TYR 61 HB2 TYR 61 34.006 1.906 13.360 434 HB3 TYR 61 HB1 TYR 61 34.310 1.575 11.651 435 HD1 TYR 61 HD1 TYR 61 37.041 2.703 13.845 436 HD2 TYR 61 HD2 TYR 61 35.078 -0.725 12.153 437 HE1 TYR 61 HE1 TYR 61 38.965 1.312 14.467 438 HE2 TYR 61 HE2 TYR 61 37.022 -2.129 12.776 439 HH TYR 61 HH TYR 61 39.976 -0.722 14.064 440 H CYS 62 HN CYS 62 33.150 4.694 13.096 441 HA CYS 62 HA CYS 62 31.779 4.844 10.616 442 HB2 CYS 62 HB2 CYS 62 31.473 6.353 13.209 443 HB3 CYS 62 HB1 CYS 62 30.411 6.606 11.824 444 H ALA 63 HN ALA 63 31.213 6.901 9.508 445 HA ALA 63 HA ALA 63 33.525 8.247 8.656 446 HB1 ALA 63 HB1 ALA 63 30.896 9.555 8.217 447 HB2 ALA 63 HB2 ALA 63 31.066 7.913 7.604 448 HB3 ALA 63 HB3 ALA 63 32.175 9.173 7.065 449 HA PRO 64 HA PRO 64 34.194 11.678 11.296 450 HB2 PRO 64 HB2 PRO 64 33.532 13.506 9.023 451 HB3 PRO 64 HB1 PRO 64 34.982 13.452 10.045 452 HG2 PRO 64 HG2 PRO 64 35.007 12.530 7.548 453 HG3 PRO 64 HG1 PRO 64 35.937 11.751 8.840 454 HD2 PRO 64 HD2 PRO 64 33.417 10.814 7.522 455 HD3 PRO 64 HD1 PRO 64 34.744 9.880 8.238 456 H LEU 65 HN LEU 65 32.999 12.865 12.723 457 HA LEU 65 HA LEU 65 30.229 13.564 11.965 458 HB2 LEU 65 HB2 LEU 65 29.581 13.047 14.314 459 HB3 LEU 65 HB1 LEU 65 30.148 11.630 13.432 460 HG LEU 65 HG LEU 65 32.437 12.855 14.590 461 HD11 LEU 65 HD11 LEU 65 30.667 13.926 16.089 462 HD12 LEU 65 HD12 LEU 65 31.917 12.995 16.914 463 HD13 LEU 65 HD13 LEU 65 30.315 12.298 16.669 464 HD21 LEU 65 HD21 LEU 65 32.711 10.710 15.599 465 HD22 LEU 65 HD22 LEU 65 31.872 10.404 14.078 466 HD23 LEU 65 HD23 LEU 65 30.974 10.407 15.597 467 H LYS 66 HN LYS 66 32.804 15.113 12.072 468 HA LYS 66 HA LYS 66 31.843 17.250 13.864 469 HB2 LYS 66 HB2 LYS 66 34.306 17.815 14.186 470 HB3 LYS 66 HB1 LYS 66 33.721 16.373 15.018 471 HG2 LYS 66 HG2 LYS 66 34.564 14.981 13.124 472 HG3 LYS 66 HG1 LYS 66 35.221 16.436 12.382 473 HD2 LYS 66 HD2 LYS 66 35.929 15.529 15.170 474 HD3 LYS 66 HD1 LYS 66 36.858 15.077 13.744 475 HE2 LYS 66 HE2 LYS 66 37.180 17.490 13.223 476 HE3 LYS 66 HE1 LYS 66 36.326 17.902 14.709 477 HZ1 LYS 66 HZ1 LYS 66 38.808 17.854 14.870 478 HZ2 LYS 66 HZ2 LYS 66 38.730 16.172 14.654 479 HZ3 LYS 66 HZ3 LYS 66 37.997 16.892 16.006 480 HA PRO 67 HA PRO 67 32.261 18.646 9.422 481 HB2 PRO 67 HB2 PRO 67 29.942 20.272 10.342 482 HB3 PRO 67 HB1 PRO 67 30.143 19.330 8.852 483 HG2 PRO 67 HG2 PRO 67 28.566 18.478 10.811 484 HG3 PRO 67 HG1 PRO 67 29.550 17.348 9.862 485 HD2 PRO 67 HD2 PRO 67 30.017 18.378 12.645 486 HD3 PRO 67 HD1 PRO 67 30.315 16.762 11.970 487 H ALA 68 HN ALA 68 33.229 20.542 8.739 488 HA ALA 68 HA ALA 68 34.558 22.153 10.618 489 HB1 ALA 68 HB1 ALA 68 35.330 21.819 8.291 490 HB2 ALA 68 HB2 ALA 68 35.217 23.527 8.711 491 HB3 ALA 68 HB3 ALA 68 33.966 22.780 7.719 492 H LYS 69 HN LYS 69 31.585 22.669 8.789 493 HA LYS 69 HA LYS 69 31.159 25.364 9.483 494 HB2 LYS 69 HB2 LYS 69 29.241 23.143 8.763 495 HB3 LYS 69 HB1 LYS 69 28.730 24.811 9.021 496 HG2 LYS 69 HG2 LYS 69 30.174 25.590 7.232 497 HG3 LYS 69 HG1 LYS 69 30.868 23.980 7.040 498 HD2 LYS 69 HD2 LYS 69 29.204 24.287 5.307 499 HD3 LYS 69 HD1 LYS 69 28.568 23.131 6.478 500 HE2 LYS 69 HE2 LYS 69 27.259 24.892 7.557 501 HE3 LYS 69 HE1 LYS 69 27.946 26.099 6.470 502 HZ1 LYS 69 HZ1 LYS 69 26.587 23.742 5.358 503 HZ2 LYS 69 HZ2 LYS 69 26.776 25.290 4.687 504 HZ3 LYS 69 HZ3 LYS 69 25.660 25.036 5.943 505 H SER 70 HN SER 70 30.268 22.349 11.105 506 HA SER 70 HA SER 70 28.648 23.473 13.124 507 HB2 SER 70 HB2 SER 70 28.664 21.074 12.689 508 HB3 SER 70 HB1 SER 70 30.358 20.974 13.162 509 HG SER 70 HG SER 70 28.571 20.499 14.772 510 H ALA 71 HN ALA 71 29.096 24.321 15.109 511 HA ALA 71 HA ALA 71 30.296 25.318 16.795 512 HB1 ALA 71 HB1 ALA 71 31.265 22.933 16.860 513 HB2 ALA 71 HB2 ALA 71 32.213 24.218 17.608 514 HB3 ALA 71 HB3 ALA 71 32.653 23.614 16.011
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