NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
524076 | 2lgx | 17827 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 37.265 -2.227 9.720 2 HA MET 1 HA MET 1 35.432 -1.268 8.476 3 HB2 MET 1 HB2 MET 1 37.469 -2.833 6.869 4 HB3 MET 1 HB1 MET 1 36.467 -1.540 6.210 5 HG2 MET 1 HG2 MET 1 37.454 0.091 7.641 6 HG3 MET 1 HG1 MET 1 38.220 -1.142 8.636 7 HE1 MET 1 HE1 MET 1 39.729 1.381 7.424 8 HE2 MET 1 HE2 MET 1 41.256 0.600 7.022 9 HE3 MET 1 HE3 MET 1 40.409 0.151 8.499 10 H ALA 2 HN ALA 2 34.824 -2.177 5.845 11 HA ALA 2 HA ALA 2 33.736 -4.790 5.701 12 HB1 ALA 2 HB1 ALA 2 32.170 -4.310 7.414 13 HB2 ALA 2 HB2 ALA 2 31.270 -4.042 5.924 14 HB3 ALA 2 HB3 ALA 2 31.908 -2.668 6.828 15 H LEU 3 HN LEU 3 34.694 -4.266 3.642 16 HA LEU 3 HA LEU 3 34.826 -3.254 1.521 17 HB2 LEU 3 HB2 LEU 3 32.120 -4.489 1.916 18 HB3 LEU 3 HB1 LEU 3 32.702 -3.971 0.343 19 HG LEU 3 HG LEU 3 34.456 -5.748 2.024 20 HD11 LEU 3 HD11 LEU 3 33.345 -7.702 0.784 21 HD12 LEU 3 HD12 LEU 3 31.998 -6.599 0.496 22 HD13 LEU 3 HD13 LEU 3 32.465 -7.009 2.146 23 HD21 LEU 3 HD21 LEU 3 35.089 -6.585 -0.252 24 HD22 LEU 3 HD22 LEU 3 35.382 -4.861 -0.045 25 HD23 LEU 3 HD23 LEU 3 33.977 -5.413 -0.956 26 H ASP 4 HN ASP 4 31.400 -2.692 1.688 27 HA ASP 4 HA ASP 4 31.494 0.090 2.348 28 HB2 ASP 4 HB2 ASP 4 32.571 0.517 0.305 29 HB3 ASP 4 HB1 ASP 4 31.705 -0.773 -0.521 30 H GLY 5 HN GLY 5 29.652 -1.322 -0.298 31 HA2 GLY 5 HA2 GLY 5 27.402 -2.035 -0.399 32 HA3 GLY 5 HA1 GLY 5 27.386 -2.064 1.370 33 H ILE 6 HN ILE 6 28.315 0.572 1.720 34 HA ILE 6 HA ILE 6 26.094 2.136 2.044 35 HB ILE 6 HB ILE 6 28.865 3.018 1.206 36 HG12 ILE 6 HG12 ILE 6 27.606 2.560 3.927 37 HG13 ILE 6 HG11 ILE 6 28.825 1.547 3.172 38 HG21 ILE 6 HG21 ILE 6 27.248 4.864 0.998 39 HG22 ILE 6 HG22 ILE 6 28.254 5.135 2.414 40 HG23 ILE 6 HG23 ILE 6 26.614 4.518 2.605 41 HD11 ILE 6 HD11 ILE 6 30.302 3.631 3.066 42 HD12 ILE 6 HD12 ILE 6 30.025 2.954 4.671 43 HD13 ILE 6 HD13 ILE 6 29.136 4.386 4.153 44 H ARG 7 HN ARG 7 27.566 1.279 -0.943 45 HA ARG 7 HA ARG 7 26.441 3.500 -2.473 46 HB2 ARG 7 HB2 ARG 7 28.494 2.465 -3.262 47 HB3 ARG 7 HB1 ARG 7 27.735 0.887 -3.267 48 HG2 ARG 7 HG2 ARG 7 27.922 1.935 -5.544 49 HG3 ARG 7 HG1 ARG 7 26.278 1.493 -5.083 50 HD2 ARG 7 HD2 ARG 7 26.652 3.839 -6.109 51 HD3 ARG 7 HD1 ARG 7 25.681 3.722 -4.645 52 HE ARG 7 HE ARG 7 27.391 4.860 -3.467 53 HH11 ARG 7 HH21 ARG 7 28.418 3.747 -6.565 54 HH12 ARG 7 HH22 ARG 7 29.932 4.586 -6.512 55 HH21 ARG 7 HH11 ARG 7 29.363 5.960 -3.380 56 HH22 ARG 7 HH12 ARG 7 30.466 5.841 -4.710 57 H MET 8 HN MET 8 25.805 0.058 -2.071 58 HA MET 8 HA MET 8 23.237 0.311 -3.549 59 HB2 MET 8 HB2 MET 8 23.369 -2.299 -3.029 60 HB3 MET 8 HB1 MET 8 24.358 -1.602 -4.300 61 HG2 MET 8 HG2 MET 8 26.292 -1.602 -2.954 62 HG3 MET 8 HG1 MET 8 25.357 -1.779 -1.473 63 HE1 MET 8 HE1 MET 8 26.728 -3.319 -4.648 64 HE2 MET 8 HE2 MET 8 27.091 -4.962 -4.125 65 HE3 MET 8 HE3 MET 8 27.851 -3.598 -3.310 66 HA PRO 9 HA PRO 9 20.672 0.216 0.083 67 HB2 PRO 9 HB2 PRO 9 19.693 -2.512 -0.729 68 HB3 PRO 9 HB1 PRO 9 18.760 -1.081 -0.239 69 HG2 PRO 9 HG2 PRO 9 18.897 -1.725 -2.781 70 HG3 PRO 9 HG1 PRO 9 19.066 -0.030 -2.288 71 HD2 PRO 9 HD2 PRO 9 21.194 -1.948 -3.149 72 HD3 PRO 9 HD1 PRO 9 21.032 -0.216 -3.511 73 H ASP 10 HN ASP 10 23.217 -1.830 -0.427 74 HA ASP 10 HA ASP 10 22.885 -3.547 1.921 75 HB2 ASP 10 HB2 ASP 10 24.255 -4.107 -0.193 76 HB3 ASP 10 HB1 ASP 10 25.476 -3.028 0.472 77 H GLY 11 HN GLY 11 22.940 -0.494 1.870 78 HA2 GLY 11 HA2 GLY 11 23.805 0.101 4.410 79 HA3 GLY 11 HA1 GLY 11 25.270 0.268 3.437 80 H CYS 12 HN CYS 12 23.552 1.001 1.084 81 HA CYS 12 HA CYS 12 23.751 3.820 1.236 82 HB2 CYS 12 HB2 CYS 12 23.560 2.867 -0.932 83 HB3 CYS 12 HB1 CYS 12 22.102 1.978 -0.503 84 HG CYS 12 HG CYS 12 22.139 4.772 -1.598 85 H TYR 13 HN TYR 13 20.513 2.603 0.617 86 HA TYR 13 HA TYR 13 19.414 4.563 2.496 87 HB2 TYR 13 HB2 TYR 13 18.384 3.891 0.238 88 HB3 TYR 13 HB1 TYR 13 17.864 2.409 1.042 89 HD1 TYR 13 HD2 TYR 13 17.602 6.118 1.109 90 HD2 TYR 13 HD1 TYR 13 16.028 2.400 2.574 91 HE1 TYR 13 HE2 TYR 13 15.662 7.321 2.079 92 HE2 TYR 13 HE1 TYR 13 14.088 3.603 3.543 93 HH TYR 13 HH TYR 13 13.134 6.538 2.688 94 H ALA 14 HN ALA 14 17.464 3.589 3.901 95 HA ALA 14 HA ALA 14 18.639 1.991 5.942 96 HB1 ALA 14 HB1 ALA 14 16.737 3.382 6.469 97 HB2 ALA 14 HB2 ALA 14 16.255 1.706 6.737 98 HB3 ALA 14 HB3 ALA 14 15.736 2.552 5.278 99 H ASP 15 HN ASP 15 15.662 0.575 5.178 100 HA ASP 15 HA ASP 15 16.969 -1.999 4.638 101 HB2 ASP 15 HB2 ASP 15 14.893 -1.684 6.094 102 HB3 ASP 15 HB1 ASP 15 14.000 -1.410 4.597 103 H GLY 16 HN GLY 16 16.169 0.602 2.750 104 HA2 GLY 16 HA2 GLY 16 16.139 0.830 0.407 105 HA3 GLY 16 HA1 GLY 16 16.491 -0.894 0.293 106 H THR 17 HN THR 17 13.857 -0.571 2.285 107 HA THR 17 HA THR 17 11.769 -0.194 0.308 108 HB THR 17 HB THR 17 12.092 -2.322 -0.549 109 HG1 THR 17 HG1 THR 17 10.653 -2.959 1.792 110 HG21 THR 17 HG21 THR 17 12.804 -4.256 0.947 111 HG22 THR 17 HG22 THR 17 13.077 -3.050 2.204 112 HG23 THR 17 HG23 THR 17 14.007 -2.989 0.706 113 H TRP 18 HN TRP 18 9.648 -1.359 1.373 114 HA TRP 18 HA TRP 18 9.708 -1.356 4.293 115 HB2 TRP 18 HB2 TRP 18 7.917 0.592 4.299 116 HB3 TRP 18 HB1 TRP 18 9.634 0.959 4.344 117 HD1 TRP 18 HD1 TRP 18 10.546 2.474 2.518 118 HE1 TRP 18 HE1 TRP 18 9.594 3.516 0.346 119 HE3 TRP 18 HE3 TRP 18 6.122 -0.075 2.135 120 HZ2 TRP 18 HZ2 TRP 18 7.304 3.334 -1.275 121 HZ3 TRP 18 HZ3 TRP 18 4.593 0.394 0.221 122 HH2 TRP 18 HH2 TRP 18 5.181 2.091 -1.457 123 H GLU 19 HN GLU 19 7.066 -0.990 4.916 124 HA GLU 19 HA GLU 19 5.590 -2.835 3.109 125 HB2 GLU 19 HB2 GLU 19 4.561 -3.870 5.055 126 HB3 GLU 19 HB1 GLU 19 6.307 -4.016 5.181 127 HG2 GLU 19 HG2 GLU 19 4.611 -1.928 6.573 128 HG3 GLU 19 HG1 GLU 19 5.320 -3.345 7.338 129 H LEU 20 HN LEU 20 3.245 -2.752 4.008 130 HA LEU 20 HA LEU 20 2.380 0.039 4.536 131 HB2 LEU 20 HB2 LEU 20 2.245 -1.351 2.002 132 HB3 LEU 20 HB1 LEU 20 0.602 -1.064 2.581 133 HG LEU 20 HG LEU 20 1.421 0.792 1.177 134 HD11 LEU 20 HD11 LEU 20 -0.061 1.044 3.378 135 HD12 LEU 20 HD12 LEU 20 0.470 2.457 2.468 136 HD13 LEU 20 HD13 LEU 20 1.330 1.981 3.927 137 HD21 LEU 20 HD21 LEU 20 3.848 0.392 2.262 138 HD22 LEU 20 HD22 LEU 20 3.328 1.732 3.274 139 HD23 LEU 20 HD23 LEU 20 3.388 1.916 1.522 140 H SER 21 HN SER 21 0.235 0.157 5.370 141 HA SER 21 HA SER 21 -0.892 -2.413 6.360 142 HB2 SER 21 HB2 SER 21 -1.749 -0.858 8.274 143 HB3 SER 21 HB1 SER 21 -0.082 -1.409 8.293 144 HG SER 21 HG SER 21 0.530 0.560 7.371 145 H VAL 22 HN VAL 22 -2.908 -2.783 5.927 146 HA VAL 22 HA VAL 22 -4.589 -0.590 4.797 147 HB VAL 22 HB VAL 22 -4.177 -3.420 3.950 148 HG11 VAL 22 HG11 VAL 22 -6.908 -2.092 3.847 149 HG12 VAL 22 HG12 VAL 22 -6.515 -3.610 4.655 150 HG13 VAL 22 HG13 VAL 22 -6.451 -3.502 2.898 151 HG21 VAL 22 HG21 VAL 22 -4.617 -2.402 1.749 152 HG22 VAL 22 HG22 VAL 22 -3.403 -1.482 2.642 153 HG23 VAL 22 HG23 VAL 22 -5.061 -0.886 2.537 154 H HIS 23 HN HIS 23 -6.771 -0.743 5.230 155 HA HIS 23 HA HIS 23 -7.624 -2.063 7.756 156 HB2 HIS 23 HB2 HIS 23 -6.878 0.633 7.549 157 HB3 HIS 23 HB1 HIS 23 -8.625 0.709 7.468 158 HD1 HIS 23 HD1 HIS 23 -9.930 0.206 9.605 159 HD2 HIS 23 HD2 HIS 23 -5.844 -0.511 10.018 160 HE1 HIS 23 HE1 HIS 23 -9.519 -0.194 12.072 161 H VAL 24 HN VAL 24 -9.558 -3.046 7.373 162 HA VAL 24 HA VAL 24 -11.105 -2.250 5.013 163 HB VAL 24 HB VAL 24 -11.832 -4.443 6.920 164 HG11 VAL 24 HG11 VAL 24 -12.210 -4.276 3.921 165 HG12 VAL 24 HG12 VAL 24 -13.399 -3.665 5.066 166 HG13 VAL 24 HG13 VAL 24 -12.987 -5.379 5.050 167 HG21 VAL 24 HG21 VAL 24 -9.641 -5.089 6.438 168 HG22 VAL 24 HG22 VAL 24 -9.650 -4.342 4.841 169 HG23 VAL 24 HG23 VAL 24 -10.512 -5.856 5.116 170 H THR 25 HN THR 25 -12.266 -0.418 5.397 171 HA THR 25 HA THR 25 -13.613 0.021 7.943 172 HB THR 25 HB THR 25 -14.192 2.111 7.077 173 HG1 THR 25 HG1 THR 25 -14.636 2.445 4.922 174 HG21 THR 25 HG21 THR 25 -11.942 1.396 5.192 175 HG22 THR 25 HG22 THR 25 -11.694 1.640 6.920 176 HG23 THR 25 HG23 THR 25 -12.287 2.965 5.920 177 H ASP 26 HN ASP 26 -16.054 0.342 7.959 178 HA ASP 26 HA ASP 26 -18.217 -0.466 7.566 179 HB2 ASP 26 HB2 ASP 26 -17.458 0.134 5.111 180 HB3 ASP 26 HB1 ASP 26 -17.352 -1.614 4.911 181 H VAL 27 HN VAL 27 -15.414 -2.427 7.413 182 HA VAL 27 HA VAL 27 -17.033 -4.882 8.038 183 HB VAL 27 HB VAL 27 -14.231 -4.843 6.910 184 HG11 VAL 27 HG11 VAL 27 -16.392 -6.970 6.949 185 HG12 VAL 27 HG12 VAL 27 -15.046 -6.893 8.085 186 HG13 VAL 27 HG13 VAL 27 -14.739 -7.172 6.369 187 HG21 VAL 27 HG21 VAL 27 -16.878 -5.062 5.441 188 HG22 VAL 27 HG22 VAL 27 -15.299 -5.353 4.714 189 HG23 VAL 27 HG23 VAL 27 -15.720 -3.742 5.294 190 H ASN 28 HN ASN 28 -14.374 -2.780 8.812 191 HA ASN 28 HA ASN 28 -13.316 -2.373 10.816 192 HB2 ASN 28 HB2 ASN 28 -15.710 -3.159 11.525 193 HB3 ASN 28 HB1 ASN 28 -14.846 -4.557 12.146 194 HD21 ASN 28 HD21 ASN 28 -12.469 -3.386 13.094 195 HD22 ASN 28 HD22 ASN 28 -12.827 -2.295 14.344 196 H ARG 29 HN ARG 29 -12.599 -4.795 8.982 197 HA ARG 29 HA ARG 29 -10.819 -6.174 10.991 198 HB2 ARG 29 HB2 ARG 29 -10.398 -7.814 9.082 199 HB3 ARG 29 HB1 ARG 29 -11.998 -7.891 9.821 200 HG2 ARG 29 HG2 ARG 29 -12.774 -6.331 7.955 201 HG3 ARG 29 HG1 ARG 29 -11.219 -6.643 7.193 202 HD2 ARG 29 HD2 ARG 29 -11.806 -9.156 7.510 203 HD3 ARG 29 HD1 ARG 29 -13.459 -8.578 7.723 204 HE ARG 29 HE ARG 29 -13.525 -8.114 5.407 205 HH11 ARG 29 HH21 ARG 29 -10.305 -8.503 6.577 206 HH12 ARG 29 HH22 ARG 29 -9.584 -8.451 5.003 207 HH21 ARG 29 HH11 ARG 29 -12.601 -8.042 3.343 208 HH22 ARG 29 HH12 ARG 29 -10.883 -8.190 3.172 209 H ASP 30 HN ASP 30 -8.618 -6.799 9.583 210 HA ASP 30 HA ASP 30 -7.912 -4.515 7.844 211 HB2 ASP 30 HB2 ASP 30 -5.753 -4.329 9.479 212 HB3 ASP 30 HB1 ASP 30 -7.191 -3.329 9.680 213 H VAL 31 HN VAL 31 -6.046 -4.798 6.697 214 HA VAL 31 HA VAL 31 -4.618 -7.383 6.885 215 HB VAL 31 HB VAL 31 -5.700 -6.333 4.249 216 HG11 VAL 31 HG11 VAL 31 -5.358 -8.793 3.666 217 HG12 VAL 31 HG12 VAL 31 -4.521 -8.952 5.206 218 HG13 VAL 31 HG13 VAL 31 -3.888 -7.870 3.966 219 HG21 VAL 31 HG21 VAL 31 -7.469 -8.072 4.441 220 HG22 VAL 31 HG22 VAL 31 -7.633 -6.824 5.674 221 HG23 VAL 31 HG23 VAL 31 -6.948 -8.394 6.094 222 H THR 32 HN THR 32 -2.499 -7.101 5.574 223 HA THR 32 HA THR 32 -1.865 -4.211 5.131 224 HB THR 32 HB THR 32 0.248 -4.514 6.283 225 HG1 THR 32 HG1 THR 32 -0.294 -7.061 5.899 226 HG21 THR 32 HG21 THR 32 -1.770 -5.674 8.168 227 HG22 THR 32 HG22 THR 32 -2.015 -4.053 7.518 228 HG23 THR 32 HG23 THR 32 -0.571 -4.415 8.462 229 H LEU 33 HN LEU 33 -0.306 -3.771 3.586 230 HA LEU 33 HA LEU 33 0.177 -6.005 1.681 231 HB2 LEU 33 HB2 LEU 33 0.148 -3.010 1.413 232 HB3 LEU 33 HB1 LEU 33 1.061 -3.957 0.255 233 HG LEU 33 HG LEU 33 -1.156 -3.486 -0.598 234 HD11 LEU 33 HD11 LEU 33 -1.551 -5.564 -1.473 235 HD12 LEU 33 HD12 LEU 33 -1.415 -6.383 0.075 236 HD13 LEU 33 HD13 LEU 33 0.039 -5.865 -0.780 237 HD21 LEU 33 HD21 LEU 33 -2.036 -3.634 1.984 238 HD22 LEU 33 HD22 LEU 33 -2.592 -5.180 1.352 239 HD23 LEU 33 HD23 LEU 33 -3.074 -3.680 0.565 240 H ARG 34 HN ARG 34 2.148 -6.558 1.082 241 HA ARG 34 HA ARG 34 4.485 -5.399 2.591 242 HB2 ARG 34 HB2 ARG 34 3.926 -7.949 2.688 243 HB3 ARG 34 HB1 ARG 34 4.473 -7.979 1.017 244 HG2 ARG 34 HG2 ARG 34 6.372 -8.534 2.386 245 HG3 ARG 34 HG1 ARG 34 6.620 -6.904 1.766 246 HD2 ARG 34 HD2 ARG 34 6.401 -5.936 3.851 247 HD3 ARG 34 HD1 ARG 34 5.226 -7.127 4.406 248 HE ARG 34 HE ARG 34 7.021 -8.337 5.306 249 HH11 ARG 34 HH21 ARG 34 8.042 -6.292 2.724 250 HH12 ARG 34 HH22 ARG 34 9.716 -6.705 2.882 251 HH21 ARG 34 HH11 ARG 34 9.201 -8.892 5.524 252 HH22 ARG 34 HH12 ARG 34 10.373 -8.177 4.467 253 H VAL 35 HN VAL 35 4.836 -3.632 1.125 254 HA VAL 35 HA VAL 35 5.880 -4.422 -1.534 255 HB VAL 35 HB VAL 35 4.401 -2.733 -2.633 256 HG11 VAL 35 HG11 VAL 35 2.753 -4.838 -1.230 257 HG12 VAL 35 HG12 VAL 35 3.913 -5.238 -2.500 258 HG13 VAL 35 HG13 VAL 35 2.540 -4.195 -2.858 259 HG21 VAL 35 HG21 VAL 35 2.203 -2.375 -1.125 260 HG22 VAL 35 HG22 VAL 35 3.563 -1.261 -1.048 261 HG23 VAL 35 HG23 VAL 35 3.376 -2.504 0.181 262 H THR 36 HN THR 36 6.157 -2.134 -2.796 263 HA THR 36 HA THR 36 7.512 -0.204 -0.959 264 HB THR 36 HB THR 36 9.353 -0.050 -2.670 265 HG1 THR 36 HG1 THR 36 9.231 -1.244 -4.378 266 HG21 THR 36 HG21 THR 36 8.857 -2.560 -1.076 267 HG22 THR 36 HG22 THR 36 9.963 -1.231 -0.734 268 HG23 THR 36 HG23 THR 36 10.327 -2.371 -2.030 269 H GLY 37 HN GLY 37 8.235 1.715 -2.401 270 HA2 GLY 37 HA2 GLY 37 6.030 3.119 -3.393 271 HA3 GLY 37 HA1 GLY 37 7.692 3.507 -3.776 272 H GLU 38 HN GLU 38 7.092 0.371 -4.774 273 HA GLU 38 HA GLU 38 6.879 1.286 -7.599 274 HB2 GLU 38 HB2 GLU 38 7.973 -0.774 -8.144 275 HB3 GLU 38 HB1 GLU 38 8.783 -0.121 -6.722 276 HG2 GLU 38 HG2 GLU 38 8.476 -2.318 -6.026 277 HG3 GLU 38 HG1 GLU 38 7.003 -1.567 -5.397 278 H VAL 39 HN VAL 39 4.974 -0.425 -5.239 279 HA VAL 39 HA VAL 39 3.562 -2.096 -7.129 280 HB VAL 39 HB VAL 39 3.567 -2.654 -4.779 281 HG11 VAL 39 HG11 VAL 39 1.929 -0.145 -4.365 282 HG12 VAL 39 HG12 VAL 39 3.640 -0.296 -3.992 283 HG13 VAL 39 HG13 VAL 39 2.467 -1.272 -3.128 284 HG21 VAL 39 HG21 VAL 39 0.766 -1.838 -5.591 285 HG22 VAL 39 HG22 VAL 39 1.218 -3.127 -4.479 286 HG23 VAL 39 HG23 VAL 39 1.593 -3.272 -6.195 287 H HIS 40 HN HIS 40 1.908 -1.643 -8.427 288 HA HIS 40 HA HIS 40 1.064 1.069 -8.881 289 HB2 HIS 40 HB2 HIS 40 0.103 -1.628 -9.827 290 HB3 HIS 40 HB1 HIS 40 -0.744 -0.153 -10.267 291 HD1 HIS 40 HD1 HIS 40 1.719 1.705 -10.654 292 HD2 HIS 40 HD2 HIS 40 1.417 -2.135 -12.247 293 HE1 HIS 40 HE1 HIS 40 3.305 1.621 -12.626 294 H ILE 41 HN ILE 41 -0.917 2.076 -8.235 295 HA ILE 41 HA ILE 41 -2.066 1.230 -5.766 296 HB ILE 41 HB ILE 41 -3.500 2.796 -7.921 297 HG12 ILE 41 HG12 ILE 41 -1.550 3.754 -5.803 298 HG13 ILE 41 HG11 ILE 41 -1.250 3.732 -7.535 299 HG21 ILE 41 HG21 ILE 41 -3.692 3.109 -4.918 300 HG22 ILE 41 HG22 ILE 41 -4.678 1.925 -5.776 301 HG23 ILE 41 HG23 ILE 41 -4.835 3.637 -6.154 302 HD11 ILE 41 HD11 ILE 41 -2.410 5.823 -6.050 303 HD12 ILE 41 HD12 ILE 41 -3.736 5.133 -6.980 304 HD13 ILE 41 HD13 ILE 41 -2.289 5.700 -7.799 305 H GLY 42 HN GLY 42 -3.057 0.885 -9.129 306 HA2 GLY 42 HA2 GLY 42 -5.304 -0.838 -8.642 307 HA3 GLY 42 HA1 GLY 42 -4.423 -0.690 -10.173 308 H GLY 43 HN GLY 43 -2.111 -1.252 -7.921 309 HA2 GLY 43 HA2 GLY 43 -2.169 -4.222 -8.353 310 HA3 GLY 43 HA1 GLY 43 -0.688 -3.263 -8.228 311 H VAL 44 HN VAL 44 -1.963 -1.574 -6.152 312 HA VAL 44 HA VAL 44 -1.034 -2.949 -3.826 313 HB VAL 44 HB VAL 44 -2.689 -0.499 -4.400 314 HG11 VAL 44 HG11 VAL 44 -3.736 -1.227 -2.399 315 HG12 VAL 44 HG12 VAL 44 -2.548 -0.031 -1.883 316 HG13 VAL 44 HG13 VAL 44 -2.208 -1.749 -1.700 317 HG21 VAL 44 HG21 VAL 44 0.058 -1.029 -3.262 318 HG22 VAL 44 HG22 VAL 44 -0.734 0.530 -3.048 319 HG23 VAL 44 HG23 VAL 44 -0.392 -0.064 -4.668 320 H MET 45 HN MET 45 -4.209 -2.449 -5.303 321 HA MET 45 HA MET 45 -5.650 -3.899 -3.238 322 HB2 MET 45 HB2 MET 45 -7.243 -4.016 -5.547 323 HB3 MET 45 HB1 MET 45 -7.314 -2.775 -4.303 324 HG2 MET 45 HG2 MET 45 -5.857 -1.327 -5.519 325 HG3 MET 45 HG1 MET 45 -5.395 -2.613 -6.629 326 HE1 MET 45 HE1 MET 45 -7.237 0.454 -6.293 327 HE2 MET 45 HE2 MET 45 -8.358 -0.459 -5.287 328 HE3 MET 45 HE3 MET 45 -8.907 0.206 -6.823 329 H LEU 46 HN LEU 46 -4.388 -4.745 -6.459 330 HA LEU 46 HA LEU 46 -5.341 -7.456 -6.354 331 HB2 LEU 46 HB2 LEU 46 -2.906 -6.407 -7.820 332 HB3 LEU 46 HB1 LEU 46 -3.810 -7.872 -8.198 333 HG LEU 46 HG LEU 46 -5.004 -5.090 -8.247 334 HD11 LEU 46 HD11 LEU 46 -4.733 -5.075 -10.616 335 HD12 LEU 46 HD12 LEU 46 -4.261 -6.773 -10.647 336 HD13 LEU 46 HD13 LEU 46 -3.167 -5.567 -9.974 337 HD21 LEU 46 HD21 LEU 46 -6.765 -6.635 -7.972 338 HD22 LEU 46 HD22 LEU 46 -5.992 -7.844 -8.997 339 HD23 LEU 46 HD23 LEU 46 -6.700 -6.399 -9.716 340 H LYS 47 HN LYS 47 -2.096 -6.102 -5.784 341 HA LYS 47 HA LYS 47 -0.863 -8.405 -4.825 342 HB2 LYS 47 HB2 LYS 47 0.140 -6.066 -5.089 343 HB3 LYS 47 HB1 LYS 47 -0.556 -5.686 -3.526 344 HG2 LYS 47 HG2 LYS 47 1.562 -6.413 -2.881 345 HG3 LYS 47 HG1 LYS 47 0.628 -7.904 -2.758 346 HD2 LYS 47 HD2 LYS 47 2.425 -8.674 -4.031 347 HD3 LYS 47 HD1 LYS 47 1.348 -8.162 -5.328 348 HE2 LYS 47 HE2 LYS 47 3.250 -7.040 -6.004 349 HE3 LYS 47 HE1 LYS 47 2.619 -5.816 -4.901 350 HZ1 LYS 47 HZ1 LYS 47 4.901 -7.589 -4.607 351 HZ2 LYS 47 HZ2 LYS 47 3.966 -7.357 -3.208 352 HZ3 LYS 47 HZ3 LYS 47 4.657 -6.024 -4.003 353 H LEU 48 HN LEU 48 -3.292 -6.405 -3.350 354 HA LEU 48 HA LEU 48 -3.123 -7.762 -0.752 355 HB2 LEU 48 HB2 LEU 48 -3.722 -5.469 -0.655 356 HB3 LEU 48 HB1 LEU 48 -4.912 -5.640 -1.918 357 HG LEU 48 HG LEU 48 -6.375 -6.893 -0.493 358 HD11 LEU 48 HD11 LEU 48 -5.576 -7.200 1.979 359 HD12 LEU 48 HD12 LEU 48 -3.959 -7.023 1.306 360 HD13 LEU 48 HD13 LEU 48 -4.996 -8.330 0.764 361 HD21 LEU 48 HD21 LEU 48 -5.141 -4.542 0.956 362 HD22 LEU 48 HD22 LEU 48 -6.667 -5.280 1.400 363 HD23 LEU 48 HD23 LEU 48 -6.494 -4.490 -0.169 364 H VAL 49 HN VAL 49 -5.633 -7.422 -3.312 365 HA VAL 49 HA VAL 49 -7.360 -9.420 -2.265 366 HB VAL 49 HB VAL 49 -6.831 -8.740 -5.173 367 HG11 VAL 49 HG11 VAL 49 -8.024 -10.786 -5.147 368 HG12 VAL 49 HG12 VAL 49 -9.262 -9.549 -5.359 369 HG13 VAL 49 HG13 VAL 49 -9.015 -10.285 -3.776 370 HG21 VAL 49 HG21 VAL 49 -9.187 -7.725 -3.600 371 HG22 VAL 49 HG22 VAL 49 -8.360 -6.988 -4.970 372 HG23 VAL 49 HG23 VAL 49 -7.629 -6.929 -3.367 373 H GLU 50 HN GLU 50 -4.490 -9.602 -4.293 374 HA GLU 50 HA GLU 50 -4.582 -12.406 -4.819 375 HB2 GLU 50 HB2 GLU 50 -2.293 -10.437 -4.605 376 HB3 GLU 50 HB1 GLU 50 -2.063 -12.126 -5.070 377 HG2 GLU 50 HG2 GLU 50 -3.585 -11.854 -6.946 378 HG3 GLU 50 HG1 GLU 50 -3.942 -10.209 -6.467 379 H LYS 51 HN LYS 51 -3.116 -10.491 -2.148 380 HA LYS 51 HA LYS 51 -1.956 -12.670 -0.750 381 HB2 LYS 51 HB2 LYS 51 -2.886 -9.930 -0.071 382 HB3 LYS 51 HB1 LYS 51 -2.778 -11.027 1.287 383 HG2 LYS 51 HG2 LYS 51 -0.432 -11.533 0.695 384 HG3 LYS 51 HG1 LYS 51 -0.553 -10.446 -0.685 385 HD2 LYS 51 HD2 LYS 51 0.538 -9.321 1.219 386 HD3 LYS 51 HD1 LYS 51 -0.997 -8.550 0.823 387 HE2 LYS 51 HE2 LYS 51 -0.414 -9.120 3.339 388 HE3 LYS 51 HE1 LYS 51 -2.054 -9.357 2.740 389 HZ1 LYS 51 HZ1 LYS 51 0.062 -11.406 3.075 390 HZ2 LYS 51 HZ2 LYS 51 -1.383 -11.691 2.229 391 HZ3 LYS 51 HZ3 LYS 51 -1.425 -11.313 3.885 392 H LEU 52 HN LEU 52 -5.194 -11.181 -0.226 393 HA LEU 52 HA LEU 52 -6.143 -13.229 1.528 394 HB2 LEU 52 HB2 LEU 52 -7.752 -11.555 -0.430 395 HB3 LEU 52 HB1 LEU 52 -8.393 -12.397 0.980 396 HG LEU 52 HG LEU 52 -6.240 -10.270 1.141 397 HD11 LEU 52 HD11 LEU 52 -7.944 -8.683 1.748 398 HD12 LEU 52 HD12 LEU 52 -9.186 -9.934 1.754 399 HD13 LEU 52 HD13 LEU 52 -8.452 -9.428 0.233 400 HD21 LEU 52 HD21 LEU 52 -7.895 -11.801 3.154 401 HD22 LEU 52 HD22 LEU 52 -7.223 -10.225 3.560 402 HD23 LEU 52 HD23 LEU 52 -6.150 -11.549 3.122 403 H ASP 53 HN ASP 53 -8.373 -14.431 0.495 404 HA ASP 53 HA ASP 53 -7.744 -15.615 -2.126 405 HB2 ASP 53 HB2 ASP 53 -7.741 -17.335 0.371 406 HB3 ASP 53 HB1 ASP 53 -7.572 -17.911 -1.287 407 H VAL 54 HN VAL 54 -9.957 -14.664 0.198 408 HA VAL 54 HA VAL 54 -12.025 -16.638 -0.355 409 HB VAL 54 HB VAL 54 -12.583 -13.865 0.698 410 HG11 VAL 54 HG11 VAL 54 -13.680 -16.628 1.302 411 HG12 VAL 54 HG12 VAL 54 -14.487 -15.368 0.368 412 HG13 VAL 54 HG13 VAL 54 -14.202 -15.141 2.092 413 HG21 VAL 54 HG21 VAL 54 -10.618 -14.532 1.929 414 HG22 VAL 54 HG22 VAL 54 -11.247 -16.166 2.147 415 HG23 VAL 54 HG23 VAL 54 -12.012 -14.808 2.973 416 H LYS 55 HN LYS 55 -10.734 -15.151 -2.638 417 HA LYS 55 HA LYS 55 -11.392 -14.161 -4.662 418 HB2 LYS 55 HB2 LYS 55 -12.846 -16.236 -4.561 419 HB3 LYS 55 HB1 LYS 55 -14.136 -15.211 -3.929 420 HG2 LYS 55 HG2 LYS 55 -13.790 -13.731 -5.976 421 HG3 LYS 55 HG1 LYS 55 -12.775 -15.018 -6.625 422 HD2 LYS 55 HD2 LYS 55 -15.651 -15.390 -5.730 423 HD3 LYS 55 HD1 LYS 55 -15.152 -15.159 -7.405 424 HE2 LYS 55 HE2 LYS 55 -15.281 -17.496 -7.222 425 HE3 LYS 55 HE1 LYS 55 -13.564 -17.189 -6.964 426 HZ1 LYS 55 HZ1 LYS 55 -15.452 -18.335 -5.198 427 HZ2 LYS 55 HZ2 LYS 55 -14.782 -16.940 -4.495 428 HZ3 LYS 55 HZ3 LYS 55 -13.771 -18.200 -5.020 429 H LYS 56 HN LYS 56 -11.077 -12.012 -3.657 430 HA LYS 56 HA LYS 56 -13.625 -10.578 -2.994 431 HB2 LYS 56 HB2 LYS 56 -10.768 -10.295 -2.186 432 HB3 LYS 56 HB1 LYS 56 -11.620 -8.782 -2.435 433 HG2 LYS 56 HG2 LYS 56 -11.906 -9.318 -0.128 434 HG3 LYS 56 HG1 LYS 56 -13.445 -9.686 -0.897 435 HD2 LYS 56 HD2 LYS 56 -13.097 -11.617 0.367 436 HD3 LYS 56 HD1 LYS 56 -12.410 -12.098 -1.184 437 HE2 LYS 56 HE2 LYS 56 -10.633 -12.690 0.177 438 HE3 LYS 56 HE1 LYS 56 -10.201 -10.998 -0.069 439 HZ1 LYS 56 HZ1 LYS 56 -10.314 -11.915 2.310 440 HZ2 LYS 56 HZ2 LYS 56 -11.999 -11.780 2.133 441 HZ3 LYS 56 HZ3 LYS 56 -11.014 -10.403 1.993 442 H ASP 57 HN ASP 57 -14.253 -8.813 -4.206 443 HA ASP 57 HA ASP 57 -13.584 -8.705 -6.941 444 HB2 ASP 57 HB2 ASP 57 -14.461 -6.244 -5.449 445 HB3 ASP 57 HB1 ASP 57 -14.930 -6.791 -7.056 446 H TRP 58 HN TRP 58 -12.281 -7.182 -8.123 447 HA TRP 58 HA TRP 58 -9.853 -6.360 -6.648 448 HB2 TRP 58 HB2 TRP 58 -10.435 -6.439 -9.616 449 HB3 TRP 58 HB1 TRP 58 -8.865 -6.178 -8.869 450 HD1 TRP 58 HD1 TRP 58 -8.159 -8.275 -7.067 451 HE1 TRP 58 HE1 TRP 58 -8.357 -10.808 -7.503 452 HE3 TRP 58 HE3 TRP 58 -11.586 -8.251 -10.852 453 HZ2 TRP 58 HZ2 TRP 58 -9.784 -12.589 -9.229 454 HZ3 TRP 58 HZ3 TRP 58 -12.348 -10.377 -11.872 455 HH2 TRP 58 HH2 TRP 58 -11.453 -12.545 -11.066 456 H SER 59 HN SER 59 -11.259 -4.829 -9.516 457 HA SER 59 HA SER 59 -10.560 -2.195 -8.560 458 HB2 SER 59 HB2 SER 59 -12.261 -3.119 -10.884 459 HB3 SER 59 HB1 SER 59 -11.850 -1.433 -10.585 460 HG SER 59 HG SER 59 -9.909 -3.489 -10.753 461 H ASP 60 HN ASP 60 -13.618 -4.007 -8.675 462 HA ASP 60 HA ASP 60 -15.444 -1.973 -8.144 463 HB2 ASP 60 HB2 ASP 60 -15.841 -4.525 -8.367 464 HB3 ASP 60 HB1 ASP 60 -15.567 -4.579 -6.627 465 H HIS 61 HN HIS 61 -13.316 -3.604 -5.786 466 HA HIS 61 HA HIS 61 -14.354 -2.046 -3.571 467 HB2 HIS 61 HB2 HIS 61 -11.837 -3.719 -3.774 468 HB3 HIS 61 HB1 HIS 61 -12.546 -3.091 -2.289 469 HD1 HIS 61 HD1 HIS 61 -12.257 -6.154 -2.758 470 HD2 HIS 61 HD2 HIS 61 -15.707 -3.965 -3.588 471 HE1 HIS 61 HE1 HIS 61 -14.180 -7.801 -2.703 472 H ALA 62 HN ALA 62 -12.508 -0.876 -2.192 473 HA ALA 62 HA ALA 62 -10.577 0.598 -3.887 474 HB1 ALA 62 HB1 ALA 62 -12.563 1.900 -4.321 475 HB2 ALA 62 HB2 ALA 62 -11.572 2.808 -3.177 476 HB3 ALA 62 HB3 ALA 62 -12.981 1.913 -2.606 477 H LEU 63 HN LEU 63 -9.088 1.927 -2.562 478 HA LEU 63 HA LEU 63 -9.039 1.021 0.260 479 HB2 LEU 63 HB2 LEU 63 -6.893 2.456 -1.295 480 HB3 LEU 63 HB1 LEU 63 -6.715 1.683 0.270 481 HG LEU 63 HG LEU 63 -5.780 0.184 -1.302 482 HD11 LEU 63 HD11 LEU 63 -8.555 -0.904 -0.924 483 HD12 LEU 63 HD12 LEU 63 -7.416 -0.733 0.413 484 HD13 LEU 63 HD13 LEU 63 -7.030 -1.787 -0.945 485 HD21 LEU 63 HD21 LEU 63 -7.226 1.316 -3.255 486 HD22 LEU 63 HD22 LEU 63 -8.254 -0.088 -2.975 487 HD23 LEU 63 HD23 LEU 63 -6.564 -0.311 -3.427 488 H TRP 64 HN TRP 64 -9.809 2.419 1.794 489 HA TRP 64 HA TRP 64 -10.048 5.266 1.051 490 HB2 TRP 64 HB2 TRP 64 -11.485 3.549 2.766 491 HB3 TRP 64 HB1 TRP 64 -10.630 4.606 3.862 492 HD1 TRP 64 HD1 TRP 64 -12.230 5.517 0.442 493 HE1 TRP 64 HE1 TRP 64 -13.913 7.420 0.831 494 HE3 TRP 64 HE3 TRP 64 -11.955 5.919 5.526 495 HZ2 TRP 64 HZ2 TRP 64 -15.005 8.918 3.001 496 HZ3 TRP 64 HZ3 TRP 64 -13.330 7.593 6.728 497 HH2 TRP 64 HH2 TRP 64 -14.855 9.092 5.472 498 H TRP 65 HN TRP 65 -8.538 6.778 1.595 499 HA TRP 65 HA TRP 65 -6.188 5.858 3.172 500 HB2 TRP 65 HB2 TRP 65 -5.987 6.973 0.911 501 HB3 TRP 65 HB1 TRP 65 -6.557 8.452 1.664 502 HD1 TRP 65 HD1 TRP 65 -4.544 6.935 4.263 503 HE1 TRP 65 HE1 TRP 65 -2.138 7.830 4.249 504 HE3 TRP 65 HE3 TRP 65 -4.446 9.149 -0.344 505 HZ2 TRP 65 HZ2 TRP 65 -0.394 9.296 2.528 506 HZ3 TRP 65 HZ3 TRP 65 -2.397 10.292 -1.139 507 HH2 TRP 65 HH2 TRP 65 -0.373 10.371 0.290 508 H GLU 66 HN GLU 66 -6.224 6.329 5.347 509 HA GLU 66 HA GLU 66 -8.001 8.014 6.676 510 HB2 GLU 66 HB2 GLU 66 -5.160 7.273 7.419 511 HB3 GLU 66 HB1 GLU 66 -6.402 7.838 8.512 512 HG2 GLU 66 HG2 GLU 66 -7.815 5.882 7.822 513 HG3 GLU 66 HG1 GLU 66 -6.413 5.268 6.948 514 H LYS 67 HN LYS 67 -5.010 8.814 4.982 515 HA LYS 67 HA LYS 67 -4.363 11.251 6.238 516 HB2 LYS 67 HB2 LYS 67 -2.992 10.123 4.515 517 HB3 LYS 67 HB1 LYS 67 -4.158 10.645 3.294 518 HG2 LYS 67 HG2 LYS 67 -3.767 12.980 3.870 519 HG3 LYS 67 HG1 LYS 67 -2.666 12.500 5.162 520 HD2 LYS 67 HD2 LYS 67 -1.047 11.687 3.636 521 HD3 LYS 67 HD1 LYS 67 -2.207 11.660 2.311 522 HE2 LYS 67 HE2 LYS 67 -2.166 13.997 2.053 523 HE3 LYS 67 HE1 LYS 67 -1.516 14.254 3.672 524 HZ1 LYS 67 HZ1 LYS 67 0.486 14.296 2.760 525 HZ2 LYS 67 HZ2 LYS 67 -0.128 13.863 1.236 526 HZ3 LYS 67 HZ3 LYS 67 0.311 12.659 2.352 527 H LYS 68 HN LYS 68 -6.403 10.843 3.318 528 HA LYS 68 HA LYS 68 -7.756 13.436 4.020 529 HB2 LYS 68 HB2 LYS 68 -7.384 12.444 1.186 530 HB3 LYS 68 HB1 LYS 68 -7.825 14.060 1.737 531 HG2 LYS 68 HG2 LYS 68 -5.549 14.183 2.860 532 HG3 LYS 68 HG1 LYS 68 -5.130 12.698 2.014 533 HD2 LYS 68 HD2 LYS 68 -6.231 14.954 0.359 534 HD3 LYS 68 HD1 LYS 68 -4.592 15.125 0.972 535 HE2 LYS 68 HE2 LYS 68 -4.977 13.980 -1.356 536 HE3 LYS 68 HE1 LYS 68 -3.798 13.293 -0.242 537 HZ1 LYS 68 HZ1 LYS 68 -5.162 11.546 -1.063 538 HZ2 LYS 68 HZ2 LYS 68 -6.588 12.386 -0.681 539 HZ3 LYS 68 HZ3 LYS 68 -5.587 11.799 0.558 540 H ARG 69 HN ARG 69 -8.170 10.335 4.193 541 HA ARG 69 HA ARG 69 -9.994 8.850 3.979 542 HB2 ARG 69 HB2 ARG 69 -11.410 11.514 4.325 543 HB3 ARG 69 HB1 ARG 69 -12.227 9.955 4.390 544 HG2 ARG 69 HG2 ARG 69 -11.798 10.250 6.653 545 HG3 ARG 69 HG1 ARG 69 -10.319 9.414 6.193 546 HD2 ARG 69 HD2 ARG 69 -9.382 11.217 7.297 547 HD3 ARG 69 HD1 ARG 69 -9.523 11.946 5.697 548 HE ARG 69 HE ARG 69 -11.939 12.571 6.819 549 HH11 ARG 69 HH21 ARG 69 -8.668 12.762 7.903 550 HH12 ARG 69 HH22 ARG 69 -8.945 14.139 8.914 551 HH21 ARG 69 HH11 ARG 69 -12.315 14.369 8.139 552 HH22 ARG 69 HH12 ARG 69 -11.007 15.049 9.049 553 H THR 70 HN THR 70 -8.869 9.712 1.488 554 HA THR 70 HA THR 70 -11.260 10.010 -0.277 555 HB THR 70 HB THR 70 -9.282 11.606 -0.488 556 HG1 THR 70 HG1 THR 70 -9.364 11.489 -2.737 557 HG21 THR 70 HG21 THR 70 -7.913 9.228 -1.769 558 HG22 THR 70 HG22 THR 70 -7.579 9.746 -0.117 559 HG23 THR 70 HG23 THR 70 -7.243 10.830 -1.466 560 H TRP 71 HN TRP 71 -10.063 8.825 -2.560 561 HA TRP 71 HA TRP 71 -9.650 5.990 -1.709 562 HB2 TRP 71 HB2 TRP 71 -11.088 6.647 -4.257 563 HB3 TRP 71 HB1 TRP 71 -11.218 5.230 -3.235 564 HD1 TRP 71 HD1 TRP 71 -13.212 5.140 -1.661 565 HE1 TRP 71 HE1 TRP 71 -14.956 6.836 -0.812 566 HE3 TRP 71 HE3 TRP 71 -11.325 9.432 -3.683 567 HZ2 TRP 71 HZ2 TRP 71 -15.484 9.641 -0.972 568 HZ3 TRP 71 HZ3 TRP 71 -12.469 11.600 -3.320 569 HH2 TRP 71 HH2 TRP 71 -14.544 11.709 -1.970 570 H LEU 72 HN LEU 72 -8.341 4.757 -3.109 571 HA LEU 72 HA LEU 72 -6.626 6.346 -4.992 572 HB2 LEU 72 HB2 LEU 72 -5.774 3.650 -3.969 573 HB3 LEU 72 HB1 LEU 72 -4.799 5.064 -4.364 574 HG LEU 72 HG LEU 72 -6.632 4.962 -1.966 575 HD11 LEU 72 HD11 LEU 72 -4.808 3.238 -1.910 576 HD12 LEU 72 HD12 LEU 72 -4.734 4.439 -0.624 577 HD13 LEU 72 HD13 LEU 72 -3.647 4.562 -2.007 578 HD21 LEU 72 HD21 LEU 72 -4.290 6.748 -2.685 579 HD22 LEU 72 HD22 LEU 72 -5.348 6.924 -1.290 580 HD23 LEU 72 HD23 LEU 72 -5.980 7.194 -2.912 581 H LEU 73 HN LEU 73 -7.273 5.976 -7.051 582 HA LEU 73 HA LEU 73 -8.393 3.298 -7.765 583 HB2 LEU 73 HB2 LEU 73 -8.728 5.957 -9.169 584 HB3 LEU 73 HB1 LEU 73 -9.525 4.452 -9.583 585 HG LEU 73 HG LEU 73 -11.095 5.790 -8.340 586 HD11 LEU 73 HD11 LEU 73 -11.765 4.231 -6.727 587 HD12 LEU 73 HD12 LEU 73 -10.108 3.836 -6.273 588 HD13 LEU 73 HD13 LEU 73 -10.762 3.264 -7.809 589 HD21 LEU 73 HD21 LEU 73 -8.951 6.944 -7.085 590 HD22 LEU 73 HD22 LEU 73 -9.532 5.879 -5.810 591 HD23 LEU 73 HD23 LEU 73 -10.610 7.075 -6.513 592 H LYS 74 HN LYS 74 -6.880 5.902 -9.670 593 HA LYS 74 HA LYS 74 -5.869 4.111 -11.573 594 HB2 LYS 74 HB2 LYS 74 -4.952 5.944 -12.670 595 HB3 LYS 74 HB1 LYS 74 -6.345 6.577 -11.810 596 HG2 LYS 74 HG2 LYS 74 -3.613 6.701 -10.529 597 HG3 LYS 74 HG1 LYS 74 -4.090 7.878 -11.726 598 HD2 LYS 74 HD2 LYS 74 -4.701 8.878 -9.705 599 HD3 LYS 74 HD1 LYS 74 -6.206 8.245 -10.309 600 HE2 LYS 74 HE2 LYS 74 -6.450 6.989 -8.432 601 HE3 LYS 74 HE1 LYS 74 -4.879 6.252 -8.674 602 HZ1 LYS 74 HZ1 LYS 74 -3.822 8.014 -7.544 603 HZ2 LYS 74 HZ2 LYS 74 -5.133 7.533 -6.577 604 HZ3 LYS 74 HZ3 LYS 74 -5.238 8.946 -7.515 605 H THR 75 HN THR 75 -3.861 3.399 -12.113 606 HA THR 75 HA THR 75 -2.070 2.840 -9.860 607 HB THR 75 HB THR 75 -2.371 1.024 -11.379 608 HG1 THR 75 HG1 THR 75 -0.288 0.722 -12.089 609 HG21 THR 75 HG21 THR 75 -1.950 3.138 -13.496 610 HG22 THR 75 HG22 THR 75 -3.338 2.074 -13.265 611 HG23 THR 75 HG23 THR 75 -1.814 1.418 -13.860 612 H HIS 76 HN HIS 76 -2.270 4.943 -12.624 613 HA HIS 76 HA HIS 76 0.323 5.761 -13.133 614 HB2 HIS 76 HB2 HIS 76 -1.728 6.618 -14.264 615 HB3 HIS 76 HB1 HIS 76 -2.048 7.611 -12.841 616 HD1 HIS 76 HD1 HIS 76 -0.473 9.630 -12.401 617 HD2 HIS 76 HD2 HIS 76 0.439 7.522 -15.880 618 HE1 HIS 76 HE1 HIS 76 1.152 11.069 -13.706 619 H TRP 77 HN TRP 77 -1.426 6.259 -10.194 620 HA TRP 77 HA TRP 77 0.687 8.165 -9.226 621 HB2 TRP 77 HB2 TRP 77 -2.232 7.868 -8.624 622 HB3 TRP 77 HB1 TRP 77 -1.167 8.519 -7.387 623 HD1 TRP 77 HD1 TRP 77 -2.352 9.219 -10.970 624 HE1 TRP 77 HE1 TRP 77 -2.004 11.720 -11.481 625 HE3 TRP 77 HE3 TRP 77 0.100 10.648 -6.728 626 HZ2 TRP 77 HZ2 TRP 77 -0.836 14.022 -10.255 627 HZ3 TRP 77 HZ3 TRP 77 0.821 13.000 -6.426 628 HH2 TRP 77 HH2 TRP 77 0.356 14.688 -8.183 629 H THR 78 HN THR 78 1.793 5.979 -9.055 630 HA THR 78 HA THR 78 1.237 3.940 -7.261 631 HB THR 78 HB THR 78 4.042 4.922 -7.110 632 HG1 THR 78 HG1 THR 78 2.607 4.882 -9.487 633 HG21 THR 78 HG21 THR 78 3.930 2.626 -6.753 634 HG22 THR 78 HG22 THR 78 4.322 2.684 -8.460 635 HG23 THR 78 HG23 THR 78 2.672 2.390 -7.955 636 H LEU 79 HN LEU 79 2.143 3.662 -5.005 637 HA LEU 79 HA LEU 79 1.193 5.637 -3.229 638 HB2 LEU 79 HB2 LEU 79 3.527 4.201 -2.122 639 HB3 LEU 79 HB1 LEU 79 1.850 4.172 -1.602 640 HG LEU 79 HG LEU 79 1.398 2.648 -3.606 641 HD11 LEU 79 HD11 LEU 79 3.897 3.324 -4.450 642 HD12 LEU 79 HD12 LEU 79 3.105 1.816 -4.866 643 HD13 LEU 79 HD13 LEU 79 4.253 1.857 -3.567 644 HD21 LEU 79 HD21 LEU 79 2.339 2.033 -0.989 645 HD22 LEU 79 HD22 LEU 79 3.230 0.966 -2.073 646 HD23 LEU 79 HD23 LEU 79 1.466 0.969 -2.087 647 H ASP 80 HN ASP 80 4.518 4.996 -4.237 648 HA ASP 80 HA ASP 80 5.696 7.201 -2.933 649 HB2 ASP 80 HB2 ASP 80 7.318 5.815 -3.763 650 HB3 ASP 80 HB1 ASP 80 6.422 5.434 -5.211 651 H LYS 81 HN LYS 81 4.199 7.042 -6.192 652 HA LYS 81 HA LYS 81 4.806 9.621 -7.094 653 HB2 LYS 81 HB2 LYS 81 2.630 7.713 -7.580 654 HB3 LYS 81 HB1 LYS 81 2.069 9.365 -7.727 655 HG2 LYS 81 HG2 LYS 81 2.788 8.884 -9.889 656 HG3 LYS 81 HG1 LYS 81 4.173 9.715 -9.231 657 HD2 LYS 81 HD2 LYS 81 5.490 7.896 -9.627 658 HD3 LYS 81 HD1 LYS 81 4.461 6.904 -8.612 659 HE2 LYS 81 HE2 LYS 81 4.509 5.949 -10.849 660 HE3 LYS 81 HE1 LYS 81 2.900 6.611 -10.523 661 HZ1 LYS 81 HZ1 LYS 81 4.945 7.517 -12.386 662 HZ2 LYS 81 HZ2 LYS 81 4.084 8.734 -11.569 663 HZ3 LYS 81 HZ3 LYS 81 3.255 7.587 -12.510 664 H TYR 82 HN TYR 82 2.281 8.625 -4.849 665 HA TYR 82 HA TYR 82 1.341 11.341 -4.388 666 HB2 TYR 82 HB2 TYR 82 0.646 8.636 -3.527 667 HB3 TYR 82 HB1 TYR 82 0.639 9.726 -2.146 668 HD1 TYR 82 HD1 TYR 82 -0.587 12.031 -2.513 669 HD2 TYR 82 HD2 TYR 82 -1.247 8.529 -4.914 670 HE1 TYR 82 HE1 TYR 82 -2.781 12.937 -3.234 671 HE2 TYR 82 HE2 TYR 82 -3.440 9.436 -5.633 672 HH TYR 82 HH TYR 82 -4.309 12.536 -5.407 673 H GLY 83 HN GLY 83 3.992 9.458 -3.299 674 HA2 GLY 83 HA2 GLY 83 5.848 10.324 -2.044 675 HA3 GLY 83 HA1 GLY 83 4.830 11.657 -1.490 676 H ILE 84 HN ILE 84 3.856 8.321 -1.505 677 HA ILE 84 HA ILE 84 3.320 8.467 1.397 678 HB ILE 84 HB ILE 84 2.406 6.856 -0.912 679 HG12 ILE 84 HG12 ILE 84 1.032 7.353 1.732 680 HG13 ILE 84 HG11 ILE 84 1.086 8.558 0.447 681 HG21 ILE 84 HG21 ILE 84 2.818 5.533 1.770 682 HG22 ILE 84 HG22 ILE 84 3.385 4.985 0.192 683 HG23 ILE 84 HG23 ILE 84 1.664 4.948 0.575 684 HD11 ILE 84 HD11 ILE 84 -0.988 7.185 0.354 685 HD12 ILE 84 HD12 ILE 84 0.004 5.744 0.134 686 HD13 ILE 84 HD13 ILE 84 -0.004 7.005 -1.099 687 H GLN 85 HN GLN 85 4.253 7.137 2.932 688 HA GLN 85 HA GLN 85 6.635 5.516 2.105 689 HB2 GLN 85 HB2 GLN 85 6.329 7.360 4.497 690 HB3 GLN 85 HB1 GLN 85 7.682 6.253 4.259 691 HG2 GLN 85 HG2 GLN 85 8.440 7.409 2.336 692 HG3 GLN 85 HG1 GLN 85 6.911 8.271 2.157 693 HE21 GLN 85 HE21 GLN 85 6.422 9.965 3.828 694 HE22 GLN 85 HE22 GLN 85 7.704 10.726 4.639 695 H ALA 86 HN ALA 86 7.122 4.652 4.813 696 HA ALA 86 HA ALA 86 5.043 2.600 4.996 697 HB1 ALA 86 HB1 ALA 86 6.554 1.449 6.311 698 HB2 ALA 86 HB2 ALA 86 7.106 2.905 7.142 699 HB3 ALA 86 HB3 ALA 86 7.684 2.546 5.519 700 H ASP 87 HN ASP 87 5.360 5.731 6.101 701 HA ASP 87 HA ASP 87 3.996 5.314 8.686 702 HB2 ASP 87 HB2 ASP 87 5.760 7.119 8.228 703 HB3 ASP 87 HB1 ASP 87 4.519 7.937 7.282 704 H ALA 88 HN ALA 88 3.049 5.013 5.704 705 HA ALA 88 HA ALA 88 0.559 6.633 5.845 706 HB1 ALA 88 HB1 ALA 88 1.457 4.781 3.627 707 HB2 ALA 88 HB2 ALA 88 1.967 6.466 3.738 708 HB3 ALA 88 HB3 ALA 88 0.259 6.073 3.534 709 H LYS 89 HN LYS 89 -1.114 5.690 6.905 710 HA LYS 89 HA LYS 89 -1.328 2.721 6.979 711 HB2 LYS 89 HB2 LYS 89 -2.484 4.988 8.594 712 HB3 LYS 89 HB1 LYS 89 -3.340 3.466 8.548 713 HG2 LYS 89 HG2 LYS 89 -1.807 3.522 10.469 714 HG3 LYS 89 HG1 LYS 89 -1.333 2.274 9.323 715 HD2 LYS 89 HD2 LYS 89 0.629 3.554 10.097 716 HD3 LYS 89 HD1 LYS 89 0.370 3.774 8.370 717 HE2 LYS 89 HE2 LYS 89 0.851 5.876 9.833 718 HE3 LYS 89 HE1 LYS 89 -0.444 5.961 8.643 719 HZ1 LYS 89 HZ1 LYS 89 -0.972 5.115 11.421 720 HZ2 LYS 89 HZ2 LYS 89 -2.064 5.723 10.270 721 HZ3 LYS 89 HZ3 LYS 89 -0.931 6.757 11.001 722 H LEU 90 HN LEU 90 -2.434 1.910 5.227 723 HA LEU 90 HA LEU 90 -4.477 3.578 3.904 724 HB2 LEU 90 HB2 LEU 90 -3.452 0.813 3.244 725 HB3 LEU 90 HB1 LEU 90 -4.502 1.797 2.228 726 HG LEU 90 HG LEU 90 -1.741 2.627 3.151 727 HD11 LEU 90 HD11 LEU 90 -1.558 0.764 1.599 728 HD12 LEU 90 HD12 LEU 90 -1.117 2.248 0.756 729 HD13 LEU 90 HD13 LEU 90 -2.704 1.525 0.496 730 HD21 LEU 90 HD21 LEU 90 -3.888 3.921 1.489 731 HD22 LEU 90 HD22 LEU 90 -2.201 4.250 1.099 732 HD23 LEU 90 HD23 LEU 90 -2.825 4.640 2.699 733 H GLN 91 HN GLN 91 -6.438 2.387 3.201 734 HA GLN 91 HA GLN 91 -7.562 0.598 5.229 735 HB2 GLN 91 HB2 GLN 91 -9.276 2.763 4.123 736 HB3 GLN 91 HB1 GLN 91 -9.497 1.807 5.560 737 HG2 GLN 91 HG2 GLN 91 -7.921 3.009 6.803 738 HG3 GLN 91 HG1 GLN 91 -7.143 3.679 5.386 739 HE21 GLN 91 HE21 GLN 91 -10.365 3.710 6.983 740 HE22 GLN 91 HE22 GLN 91 -10.686 5.329 6.605 741 H PHE 92 HN PHE 92 -9.688 -0.242 4.303 742 HA PHE 92 HA PHE 92 -9.545 -0.634 1.367 743 HB2 PHE 92 HB2 PHE 92 -9.083 -2.643 3.169 744 HB3 PHE 92 HB1 PHE 92 -10.802 -2.773 2.978 745 HD1 PHE 92 HD1 PHE 92 -10.585 -1.797 -0.127 746 HD2 PHE 92 HD2 PHE 92 -8.804 -4.876 2.278 747 HE1 PHE 92 HE1 PHE 92 -10.250 -3.171 -2.139 748 HE2 PHE 92 HE2 PHE 92 -8.487 -6.255 0.250 749 HZ PHE 92 HZ PHE 92 -9.209 -5.405 -1.958 750 H THR 93 HN THR 93 -11.636 -0.612 0.444 751 HA THR 93 HA THR 93 -13.999 -0.497 2.120 752 HB THR 93 HB THR 93 -13.327 1.692 2.651 753 HG1 THR 93 HG1 THR 93 -14.744 2.963 1.095 754 HG21 THR 93 HG21 THR 93 -12.664 3.296 0.833 755 HG22 THR 93 HG22 THR 93 -12.689 1.948 -0.290 756 HG23 THR 93 HG23 THR 93 -11.549 1.951 1.054 757 HA PRO 94 HA PRO 94 -15.746 -1.716 -1.760 758 HB2 PRO 94 HB2 PRO 94 -18.401 -1.158 -1.364 759 HB3 PRO 94 HB1 PRO 94 -17.571 -2.514 -0.574 760 HG2 PRO 94 HG2 PRO 94 -18.212 0.196 0.514 761 HG3 PRO 94 HG1 PRO 94 -18.366 -1.392 1.289 762 HD2 PRO 94 HD2 PRO 94 -16.264 0.261 1.794 763 HD3 PRO 94 HD1 PRO 94 -16.101 -1.507 1.817 Start of MODEL 2 1 H MET 1 HT1 MET 1 36.314 -9.978 5.013 2 HA MET 1 HA MET 1 33.957 -9.988 5.320 3 HB2 MET 1 HB2 MET 1 34.894 -7.922 3.310 4 HB3 MET 1 HB1 MET 1 33.435 -7.781 4.291 5 HG2 MET 1 HG2 MET 1 34.676 -7.700 6.317 6 HG3 MET 1 HG1 MET 1 36.151 -8.242 5.523 7 HE1 MET 1 HE1 MET 1 38.049 -6.402 4.878 8 HE2 MET 1 HE2 MET 1 37.469 -5.428 3.529 9 HE3 MET 1 HE3 MET 1 37.118 -7.153 3.574 10 H ALA 2 HN ALA 2 32.258 -8.694 3.309 11 HA ALA 2 HA ALA 2 32.091 -10.283 0.931 12 HB1 ALA 2 HB1 ALA 2 30.336 -11.109 3.256 13 HB2 ALA 2 HB2 ALA 2 31.482 -12.118 2.375 14 HB3 ALA 2 HB3 ALA 2 30.013 -11.552 1.581 15 H LEU 3 HN LEU 3 31.660 -8.224 0.076 16 HA LEU 3 HA LEU 3 29.768 -6.364 1.004 17 HB2 LEU 3 HB2 LEU 3 30.610 -6.974 -1.842 18 HB3 LEU 3 HB1 LEU 3 29.789 -5.513 -1.308 19 HG LEU 3 HG LEU 3 31.717 -5.172 0.328 20 HD11 LEU 3 HD11 LEU 3 32.742 -7.536 -1.210 21 HD12 LEU 3 HD12 LEU 3 32.978 -7.106 0.486 22 HD13 LEU 3 HD13 LEU 3 33.893 -6.278 -0.764 23 HD21 LEU 3 HD21 LEU 3 33.180 -4.237 -1.471 24 HD22 LEU 3 HD22 LEU 3 31.477 -3.830 -1.684 25 HD23 LEU 3 HD23 LEU 3 32.208 -5.109 -2.654 26 H ASP 4 HN ASP 4 29.232 -8.312 -1.917 27 HA ASP 4 HA ASP 4 27.292 -9.212 -2.830 28 HB2 ASP 4 HB2 ASP 4 27.389 -10.881 -1.186 29 HB3 ASP 4 HB1 ASP 4 27.091 -9.738 0.111 30 H GLY 5 HN GLY 5 27.441 -6.379 -1.362 31 HA2 GLY 5 HA2 GLY 5 25.915 -4.597 -2.104 32 HA3 GLY 5 HA1 GLY 5 24.582 -5.725 -1.900 33 H ILE 6 HN ILE 6 25.443 -6.779 0.634 34 HA ILE 6 HA ILE 6 24.133 -5.202 2.497 35 HB ILE 6 HB ILE 6 26.640 -6.791 3.091 36 HG12 ILE 6 HG12 ILE 6 23.755 -7.710 2.839 37 HG13 ILE 6 HG11 ILE 6 25.066 -8.122 1.737 38 HG21 ILE 6 HG21 ILE 6 24.183 -6.209 4.777 39 HG22 ILE 6 HG22 ILE 6 25.734 -5.387 4.944 40 HG23 ILE 6 HG23 ILE 6 25.610 -7.107 5.293 41 HD11 ILE 6 HD11 ILE 6 26.282 -9.105 3.749 42 HD12 ILE 6 HD12 ILE 6 24.848 -9.984 3.218 43 HD13 ILE 6 HD13 ILE 6 24.766 -8.934 4.633 44 H ARG 7 HN ARG 7 27.245 -4.662 1.107 45 HA ARG 7 HA ARG 7 28.376 -2.963 3.100 46 HB2 ARG 7 HB2 ARG 7 29.748 -3.822 1.297 47 HB3 ARG 7 HB1 ARG 7 28.733 -3.050 0.095 48 HG2 ARG 7 HG2 ARG 7 30.886 -1.824 0.565 49 HG3 ARG 7 HG1 ARG 7 29.438 -0.848 0.797 50 HD2 ARG 7 HD2 ARG 7 29.610 -0.923 3.136 51 HD3 ARG 7 HD1 ARG 7 30.615 -2.370 3.106 52 HE ARG 7 HE ARG 7 31.949 -0.148 1.823 53 HH11 ARG 7 HH21 ARG 7 31.048 -1.554 4.840 54 HH12 ARG 7 HH22 ARG 7 32.379 -0.866 5.709 55 HH21 ARG 7 HH11 ARG 7 33.694 0.757 2.943 56 HH22 ARG 7 HH12 ARG 7 33.875 0.442 4.636 57 H MET 8 HN MET 8 26.502 -2.220 0.197 58 HA MET 8 HA MET 8 26.067 0.560 1.194 59 HB2 MET 8 HB2 MET 8 25.913 1.201 -1.063 60 HB3 MET 8 HB1 MET 8 27.095 -0.083 -1.110 61 HG2 MET 8 HG2 MET 8 25.388 -1.701 -1.766 62 HG3 MET 8 HG1 MET 8 24.155 -0.449 -1.711 63 HE1 MET 8 HE1 MET 8 27.441 -1.555 -2.913 64 HE2 MET 8 HE2 MET 8 27.636 -0.988 -4.570 65 HE3 MET 8 HE3 MET 8 26.508 -2.295 -4.221 66 HA PRO 9 HA PRO 9 21.723 0.129 1.836 67 HB2 PRO 9 HB2 PRO 9 20.980 1.415 -0.775 68 HB3 PRO 9 HB1 PRO 9 20.442 1.811 0.872 69 HG2 PRO 9 HG2 PRO 9 22.206 3.354 -0.309 70 HG3 PRO 9 HG1 PRO 9 22.437 2.897 1.390 71 HD2 PRO 9 HD2 PRO 9 23.769 1.765 -1.050 72 HD3 PRO 9 HD1 PRO 9 24.505 2.220 0.510 73 H ASP 10 HN ASP 10 23.238 -1.471 -0.562 74 HA ASP 10 HA ASP 10 20.936 -2.750 -1.843 75 HB2 ASP 10 HB2 ASP 10 23.880 -3.450 -1.804 76 HB3 ASP 10 HB1 ASP 10 22.677 -4.311 -2.757 77 H GLY 11 HN GLY 11 21.667 -2.712 1.163 78 HA2 GLY 11 HA2 GLY 11 20.338 -4.861 2.158 79 HA3 GLY 11 HA1 GLY 11 21.925 -5.558 1.824 80 H CYS 12 HN CYS 12 22.937 -2.662 2.332 81 HA CYS 12 HA CYS 12 23.971 -3.022 4.920 82 HB2 CYS 12 HB2 CYS 12 24.957 -1.339 3.539 83 HB3 CYS 12 HB1 CYS 12 23.416 -0.518 3.315 84 HG CYS 12 HG CYS 12 24.905 -0.567 6.072 85 H TYR 13 HN TYR 13 21.551 -0.490 4.253 86 HA TYR 13 HA TYR 13 19.998 -1.388 6.637 87 HB2 TYR 13 HB2 TYR 13 21.762 0.538 7.036 88 HB3 TYR 13 HB1 TYR 13 20.563 1.550 6.238 89 HD1 TYR 13 HD1 TYR 13 20.967 -0.925 9.016 90 HD2 TYR 13 HD2 TYR 13 18.709 2.377 7.448 91 HE1 TYR 13 HE1 TYR 13 19.677 -0.802 11.131 92 HE2 TYR 13 HE2 TYR 13 17.419 2.498 9.563 93 HH TYR 13 HH TYR 13 18.285 0.544 12.358 94 H ALA 14 HN ALA 14 19.394 -1.647 3.821 95 HA ALA 14 HA ALA 14 17.679 -1.155 2.286 96 HB1 ALA 14 HB1 ALA 14 15.483 -0.561 3.421 97 HB2 ALA 14 HB2 ALA 14 16.368 -0.562 4.946 98 HB3 ALA 14 HB3 ALA 14 16.249 -2.042 3.995 99 H ASP 15 HN ASP 15 16.169 1.241 4.184 100 HA ASP 15 HA ASP 15 15.847 3.502 3.882 101 HB2 ASP 15 HB2 ASP 15 18.202 3.460 4.709 102 HB3 ASP 15 HB1 ASP 15 18.740 3.433 3.035 103 H GLY 16 HN GLY 16 15.761 5.181 2.190 104 HA2 GLY 16 HA2 GLY 16 15.568 5.877 -0.045 105 HA3 GLY 16 HA1 GLY 16 16.348 4.387 -0.563 106 H THR 17 HN THR 17 14.058 3.362 1.511 107 HA THR 17 HA THR 17 11.787 3.437 -0.423 108 HB THR 17 HB THR 17 11.496 0.947 -0.077 109 HG1 THR 17 HG1 THR 17 13.791 0.100 0.469 110 HG21 THR 17 HG21 THR 17 14.187 1.490 -1.310 111 HG22 THR 17 HG22 THR 17 12.713 2.096 -2.065 112 HG23 THR 17 HG23 THR 17 12.939 0.363 -1.835 113 H TRP 18 HN TRP 18 9.876 2.063 0.767 114 HA TRP 18 HA TRP 18 10.020 2.266 3.686 115 HB2 TRP 18 HB2 TRP 18 7.943 3.868 3.668 116 HB3 TRP 18 HB1 TRP 18 9.559 4.539 3.531 117 HD1 TRP 18 HD1 TRP 18 9.998 6.065 1.568 118 HE1 TRP 18 HE1 TRP 18 8.747 6.696 -0.604 119 HE3 TRP 18 HE3 TRP 18 6.197 2.625 1.655 120 HZ2 TRP 18 HZ2 TRP 18 6.468 5.904 -2.062 121 HZ3 TRP 18 HZ3 TRP 18 4.521 2.598 -0.184 122 HH2 TRP 18 HH2 TRP 18 4.650 4.230 -2.020 123 H GLU 19 HN GLU 19 7.352 2.260 4.353 124 HA GLU 19 HA GLU 19 6.183 0.025 2.782 125 HB2 GLU 19 HB2 GLU 19 5.389 -0.979 4.857 126 HB3 GLU 19 HB1 GLU 19 7.138 -0.833 4.911 127 HG2 GLU 19 HG2 GLU 19 5.179 1.091 6.192 128 HG3 GLU 19 HG1 GLU 19 6.111 -0.132 7.047 129 H LEU 20 HN LEU 20 3.881 -0.203 3.772 130 HA LEU 20 HA LEU 20 2.553 2.439 4.051 131 HB2 LEU 20 HB2 LEU 20 2.583 0.778 1.693 132 HB3 LEU 20 HB1 LEU 20 0.941 0.780 2.339 133 HG LEU 20 HG LEU 20 1.329 2.594 0.688 134 HD11 LEU 20 HD11 LEU 20 0.953 3.932 3.358 135 HD12 LEU 20 HD12 LEU 20 -0.227 2.749 2.794 136 HD13 LEU 20 HD13 LEU 20 0.092 4.199 1.845 137 HD21 LEU 20 HD21 LEU 20 3.776 2.884 1.838 138 HD22 LEU 20 HD22 LEU 20 2.930 4.224 2.587 139 HD23 LEU 20 HD23 LEU 20 3.027 4.106 0.830 140 H SER 21 HN SER 21 0.446 2.277 4.979 141 HA SER 21 HA SER 21 -0.153 -0.306 6.326 142 HB2 SER 21 HB2 SER 21 -1.213 1.272 8.093 143 HB3 SER 21 HB1 SER 21 0.533 1.088 8.059 144 HG SER 21 HG SER 21 0.732 3.036 7.081 145 H VAL 22 HN VAL 22 -2.068 -1.089 6.044 146 HA VAL 22 HA VAL 22 -4.179 0.607 4.784 147 HB VAL 22 HB VAL 22 -3.306 -2.207 4.228 148 HG11 VAL 22 HG11 VAL 22 -5.578 -2.700 3.257 149 HG12 VAL 22 HG12 VAL 22 -6.186 -1.285 4.110 150 HG13 VAL 22 HG13 VAL 22 -5.565 -2.663 5.022 151 HG21 VAL 22 HG21 VAL 22 -3.944 -1.524 1.949 152 HG22 VAL 22 HG22 VAL 22 -2.857 -0.341 2.681 153 HG23 VAL 22 HG23 VAL 22 -4.588 -0.007 2.581 154 H HIS 23 HN HIS 23 -6.267 0.098 5.364 155 HA HIS 23 HA HIS 23 -6.751 -1.064 8.058 156 HB2 HIS 23 HB2 HIS 23 -6.547 1.688 7.507 157 HB3 HIS 23 HB1 HIS 23 -8.277 1.419 7.559 158 HD1 HIS 23 HD1 HIS 23 -5.315 1.776 9.711 159 HD2 HIS 23 HD2 HIS 23 -9.158 0.213 10.113 160 HE1 HIS 23 HE1 HIS 23 -5.730 1.528 12.197 161 H VAL 24 HN VAL 24 -8.526 -2.374 7.957 162 HA VAL 24 HA VAL 24 -10.312 -2.147 5.631 163 HB VAL 24 HB VAL 24 -10.586 -4.247 7.751 164 HG11 VAL 24 HG11 VAL 24 -11.506 -5.556 5.976 165 HG12 VAL 24 HG12 VAL 24 -10.877 -4.466 4.746 166 HG13 VAL 24 HG13 VAL 24 -12.205 -3.949 5.782 167 HG21 VAL 24 HG21 VAL 24 -8.437 -3.991 5.643 168 HG22 VAL 24 HG22 VAL 24 -8.976 -5.581 6.191 169 HG23 VAL 24 HG23 VAL 24 -8.278 -4.446 7.339 170 H THR 25 HN THR 25 -11.832 -0.624 5.862 171 HA THR 25 HA THR 25 -13.060 -0.100 8.477 172 HB THR 25 HB THR 25 -12.579 1.687 6.733 173 HG1 THR 25 HG1 THR 25 -15.138 1.260 7.836 174 HG21 THR 25 HG21 THR 25 -15.143 0.902 5.402 175 HG22 THR 25 HG22 THR 25 -13.672 0.056 4.924 176 HG23 THR 25 HG23 THR 25 -13.779 1.809 4.749 177 H ASP 26 HN ASP 26 -15.475 -0.216 8.707 178 HA ASP 26 HA ASP 26 -17.507 -1.370 8.543 179 HB2 ASP 26 HB2 ASP 26 -17.051 -0.803 6.003 180 HB3 ASP 26 HB1 ASP 26 -16.690 -2.524 5.875 181 H VAL 27 HN VAL 27 -14.448 -2.843 8.264 182 HA VAL 27 HA VAL 27 -15.577 -5.485 9.137 183 HB VAL 27 HB VAL 27 -12.914 -5.102 7.763 184 HG11 VAL 27 HG11 VAL 27 -13.571 -7.200 9.137 185 HG12 VAL 27 HG12 VAL 27 -12.969 -7.460 7.499 186 HG13 VAL 27 HG13 VAL 27 -14.699 -7.542 7.827 187 HG21 VAL 27 HG21 VAL 27 -14.166 -6.000 5.718 188 HG22 VAL 27 HG22 VAL 27 -14.488 -4.320 6.140 189 HG23 VAL 27 HG23 VAL 27 -15.652 -5.572 6.564 190 H ASN 28 HN ASN 28 -13.312 -2.903 9.606 191 HA ASN 28 HA ASN 28 -12.180 -2.214 11.489 192 HB2 ASN 28 HB2 ASN 28 -14.311 -3.378 12.438 193 HB3 ASN 28 HB1 ASN 28 -13.168 -4.586 13.004 194 HD21 ASN 28 HD21 ASN 28 -10.951 -2.894 13.633 195 HD22 ASN 28 HD22 ASN 28 -11.388 -1.881 14.923 196 H ARG 29 HN ARG 29 -11.194 -4.558 9.688 197 HA ARG 29 HA ARG 29 -9.095 -5.622 11.553 198 HB2 ARG 29 HB2 ARG 29 -8.977 -6.482 8.699 199 HB3 ARG 29 HB1 ARG 29 -8.850 -7.440 10.174 200 HG2 ARG 29 HG2 ARG 29 -11.314 -7.248 10.482 201 HG3 ARG 29 HG1 ARG 29 -11.403 -6.384 8.949 202 HD2 ARG 29 HD2 ARG 29 -10.786 -8.278 7.695 203 HD3 ARG 29 HD1 ARG 29 -10.078 -9.091 9.090 204 HE ARG 29 HE ARG 29 -12.825 -8.772 9.649 205 HH11 ARG 29 HH21 ARG 29 -10.744 -10.304 7.367 206 HH12 ARG 29 HH22 ARG 29 -11.827 -11.621 7.062 207 HH21 ARG 29 HH11 ARG 29 -14.251 -10.484 9.265 208 HH22 ARG 29 HH12 ARG 29 -13.813 -11.722 8.137 209 H ASP 30 HN ASP 30 -6.885 -5.773 10.071 210 HA ASP 30 HA ASP 30 -6.531 -3.394 8.424 211 HB2 ASP 30 HB2 ASP 30 -4.456 -2.955 10.260 212 HB3 ASP 30 HB1 ASP 30 -5.925 -1.993 10.102 213 H VAL 31 HN VAL 31 -4.804 -3.550 7.142 214 HA VAL 31 HA VAL 31 -2.893 -5.788 7.523 215 HB VAL 31 HB VAL 31 -4.254 -5.177 4.878 216 HG11 VAL 31 HG11 VAL 31 -3.394 -7.515 4.401 217 HG12 VAL 31 HG12 VAL 31 -2.515 -7.422 5.925 218 HG13 VAL 31 HG13 VAL 31 -2.143 -6.294 4.622 219 HG21 VAL 31 HG21 VAL 31 -5.636 -7.175 5.255 220 HG22 VAL 31 HG22 VAL 31 -5.940 -5.979 6.513 221 HG23 VAL 31 HG23 VAL 31 -4.926 -7.380 6.856 222 H THR 32 HN THR 32 -0.907 -5.281 6.106 223 HA THR 32 HA THR 32 -0.799 -2.390 5.351 224 HB THR 32 HB THR 32 1.365 -2.194 6.421 225 HG1 THR 32 HG1 THR 32 1.988 -4.377 6.199 226 HG21 THR 32 HG21 THR 32 0.604 -1.985 8.614 227 HG22 THR 32 HG22 THR 32 -0.364 -3.456 8.516 228 HG23 THR 32 HG23 THR 32 -0.907 -1.987 7.706 229 H LEU 33 HN LEU 33 0.546 -1.879 3.668 230 HA LEU 33 HA LEU 33 1.389 -4.195 2.004 231 HB2 LEU 33 HB2 LEU 33 0.742 -1.320 1.414 232 HB3 LEU 33 HB1 LEU 33 1.763 -2.213 0.302 233 HG LEU 33 HG LEU 33 -0.590 -2.262 -0.370 234 HD11 LEU 33 HD11 LEU 33 1.117 -4.300 -0.542 235 HD12 LEU 33 HD12 LEU 33 -0.552 -4.439 -1.083 236 HD13 LEU 33 HD13 LEU 33 -0.089 -5.075 0.485 237 HD21 LEU 33 HD21 LEU 33 -1.233 -2.384 2.261 238 HD22 LEU 33 HD22 LEU 33 -1.381 -4.085 1.831 239 HD23 LEU 33 HD23 LEU 33 -2.324 -2.873 0.970 240 H ARG 34 HN ARG 34 3.435 -4.428 1.371 241 HA ARG 34 HA ARG 34 5.505 -2.623 2.604 242 HB2 ARG 34 HB2 ARG 34 5.441 -5.248 2.993 243 HB3 ARG 34 HB1 ARG 34 6.113 -5.306 1.368 244 HG2 ARG 34 HG2 ARG 34 8.065 -5.217 2.641 245 HG3 ARG 34 HG1 ARG 34 7.805 -3.507 2.306 246 HD2 ARG 34 HD2 ARG 34 8.189 -3.520 4.622 247 HD3 ARG 34 HD1 ARG 34 6.429 -3.537 4.535 248 HE ARG 34 HE ARG 34 7.300 -6.233 4.572 249 HH11 ARG 34 HH21 ARG 34 7.304 -3.388 6.521 250 HH12 ARG 34 HH22 ARG 34 7.279 -4.255 8.021 251 HH21 ARG 34 HH11 ARG 34 7.266 -7.381 6.520 252 HH22 ARG 34 HH12 ARG 34 7.257 -6.515 8.020 253 H VAL 35 HN VAL 35 5.507 -1.038 0.950 254 HA VAL 35 HA VAL 35 6.638 -1.908 -1.646 255 HB VAL 35 HB VAL 35 4.861 -0.664 -2.870 256 HG11 VAL 35 HG11 VAL 35 3.627 -2.807 -1.137 257 HG12 VAL 35 HG12 VAL 35 4.801 -3.168 -2.404 258 HG13 VAL 35 HG13 VAL 35 3.262 -2.422 -2.817 259 HG21 VAL 35 HG21 VAL 35 2.675 -0.516 -1.237 260 HG22 VAL 35 HG22 VAL 35 3.761 0.841 -1.509 261 HG23 VAL 35 HG23 VAL 35 3.941 -0.152 -0.068 262 H THR 36 HN THR 36 6.430 0.279 -3.117 263 HA THR 36 HA THR 36 7.427 2.583 -1.503 264 HB THR 36 HB THR 36 9.132 2.933 -3.372 265 HG1 THR 36 HG1 THR 36 7.996 0.517 -4.060 266 HG21 THR 36 HG21 THR 36 9.256 0.660 -1.389 267 HG22 THR 36 HG22 THR 36 9.972 2.266 -1.271 268 HG23 THR 36 HG23 THR 36 10.643 1.083 -2.393 269 H GLY 37 HN GLY 37 7.684 4.501 -3.187 270 HA2 GLY 37 HA2 GLY 37 5.072 5.074 -4.168 271 HA3 GLY 37 HA1 GLY 37 6.521 5.994 -4.551 272 H GLU 38 HN GLU 38 6.776 2.699 -5.312 273 HA GLU 38 HA GLU 38 6.507 3.342 -8.207 274 HB2 GLU 38 HB2 GLU 38 8.072 1.567 -8.575 275 HB3 GLU 38 HB1 GLU 38 8.662 2.464 -7.177 276 HG2 GLU 38 HG2 GLU 38 8.826 0.288 -6.365 277 HG3 GLU 38 HG1 GLU 38 7.211 0.732 -5.804 278 H VAL 39 HN VAL 39 5.047 1.428 -5.701 279 HA VAL 39 HA VAL 39 3.980 -0.604 -7.469 280 HB VAL 39 HB VAL 39 4.166 -1.085 -5.084 281 HG11 VAL 39 HG11 VAL 39 2.668 0.040 -3.484 282 HG12 VAL 39 HG12 VAL 39 2.103 1.095 -4.760 283 HG13 VAL 39 HG13 VAL 39 3.770 1.178 -4.234 284 HG21 VAL 39 HG21 VAL 39 1.234 -0.867 -5.793 285 HG22 VAL 39 HG22 VAL 39 2.010 -2.071 -4.764 286 HG23 VAL 39 HG23 VAL 39 2.306 -2.075 -6.502 287 H HIS 40 HN HIS 40 2.143 -0.592 -8.622 288 HA HIS 40 HA HIS 40 0.808 1.922 -9.120 289 HB2 HIS 40 HB2 HIS 40 0.387 -0.931 -10.003 290 HB3 HIS 40 HB1 HIS 40 -0.757 0.330 -10.437 291 HD1 HIS 40 HD1 HIS 40 0.937 2.667 -11.171 292 HD2 HIS 40 HD2 HIS 40 2.048 -1.220 -12.190 293 HE1 HIS 40 HE1 HIS 40 2.555 2.870 -13.109 294 H ILE 41 HN ILE 41 -1.364 2.490 -8.530 295 HA ILE 41 HA ILE 41 -2.280 1.618 -5.988 296 HB ILE 41 HB ILE 41 -4.054 2.602 -8.231 297 HG12 ILE 41 HG12 ILE 41 -2.415 4.207 -6.248 298 HG13 ILE 41 HG11 ILE 41 -2.050 4.052 -7.961 299 HG21 ILE 41 HG21 ILE 41 -4.986 1.687 -5.993 300 HG22 ILE 41 HG22 ILE 41 -5.527 3.283 -6.501 301 HG23 ILE 41 HG23 ILE 41 -4.281 3.128 -5.261 302 HD11 ILE 41 HD11 ILE 41 -3.657 6.009 -6.815 303 HD12 ILE 41 HD12 ILE 41 -4.822 4.892 -7.518 304 HD13 ILE 41 HD13 ILE 41 -3.567 5.605 -8.523 305 H GLY 42 HN GLY 42 -3.234 0.760 -9.280 306 HA2 GLY 42 HA2 GLY 42 -5.010 -1.375 -8.568 307 HA3 GLY 42 HA1 GLY 42 -4.218 -1.177 -10.139 308 H GLY 43 HN GLY 43 -1.771 -0.990 -7.992 309 HA2 GLY 43 HA2 GLY 43 -1.158 -3.920 -8.190 310 HA3 GLY 43 HA1 GLY 43 0.060 -2.639 -8.121 311 H VAL 44 HN VAL 44 -1.514 -1.146 -6.137 312 HA VAL 44 HA VAL 44 -0.371 -2.216 -3.742 313 HB VAL 44 HB VAL 44 -2.355 -0.102 -4.502 314 HG11 VAL 44 HG11 VAL 44 -2.460 0.432 -1.933 315 HG12 VAL 44 HG12 VAL 44 -2.103 -1.283 -1.759 316 HG13 VAL 44 HG13 VAL 44 -3.548 -0.774 -2.618 317 HG21 VAL 44 HG21 VAL 44 0.298 -0.172 -3.061 318 HG22 VAL 44 HG22 VAL 44 -0.735 1.249 -3.005 319 HG23 VAL 44 HG23 VAL 44 -0.137 0.661 -4.552 320 H MET 45 HN MET 45 -3.591 -2.330 -5.193 321 HA MET 45 HA MET 45 -4.824 -3.864 -3.112 322 HB2 MET 45 HB2 MET 45 -6.005 -4.499 -5.683 323 HB3 MET 45 HB1 MET 45 -6.657 -3.490 -4.399 324 HG2 MET 45 HG2 MET 45 -5.416 -1.551 -5.267 325 HG3 MET 45 HG1 MET 45 -4.711 -2.562 -6.524 326 HE1 MET 45 HE1 MET 45 -8.616 -0.376 -6.565 327 HE2 MET 45 HE2 MET 45 -7.043 0.014 -5.874 328 HE3 MET 45 HE3 MET 45 -8.094 -1.141 -5.060 329 H LEU 46 HN LEU 46 -3.135 -4.807 -6.101 330 HA LEU 46 HA LEU 46 -3.588 -7.627 -5.695 331 HB2 LEU 46 HB2 LEU 46 -1.290 -6.330 -7.180 332 HB3 LEU 46 HB1 LEU 46 -1.909 -7.963 -7.411 333 HG LEU 46 HG LEU 46 -3.542 -5.454 -7.859 334 HD11 LEU 46 HD11 LEU 46 -2.421 -7.260 -10.009 335 HD12 LEU 46 HD12 LEU 46 -1.537 -5.847 -9.438 336 HD13 LEU 46 HD13 LEU 46 -3.119 -5.651 -10.189 337 HD21 LEU 46 HD21 LEU 46 -4.021 -8.407 -8.282 338 HD22 LEU 46 HD22 LEU 46 -4.913 -7.202 -9.210 339 HD23 LEU 46 HD23 LEU 46 -5.040 -7.230 -7.454 340 H LYS 47 HN LYS 47 -0.679 -5.622 -5.184 341 HA LYS 47 HA LYS 47 0.871 -7.538 -3.888 342 HB2 LYS 47 HB2 LYS 47 1.503 -5.134 -4.445 343 HB3 LYS 47 HB1 LYS 47 0.658 -4.653 -2.989 344 HG2 LYS 47 HG2 LYS 47 2.821 -4.916 -2.159 345 HG3 LYS 47 HG1 LYS 47 2.132 -6.508 -1.845 346 HD2 LYS 47 HD2 LYS 47 4.117 -7.123 -2.910 347 HD3 LYS 47 HD1 LYS 47 3.039 -7.030 -4.301 348 HE2 LYS 47 HE2 LYS 47 4.701 -5.679 -5.137 349 HE3 LYS 47 HE1 LYS 47 3.886 -4.436 -4.186 350 HZ1 LYS 47 HZ1 LYS 47 6.183 -6.107 -3.313 351 HZ2 LYS 47 HZ2 LYS 47 5.368 -4.986 -2.329 352 HZ3 LYS 47 HZ3 LYS 47 6.227 -4.455 -3.696 353 H LEU 48 HN LEU 48 -1.940 -5.811 -2.775 354 HA LEU 48 HA LEU 48 -1.679 -6.790 -0.019 355 HB2 LEU 48 HB2 LEU 48 -2.686 -4.654 -0.250 356 HB3 LEU 48 HB1 LEU 48 -3.776 -5.204 -1.496 357 HG LEU 48 HG LEU 48 -5.030 -6.518 0.064 358 HD11 LEU 48 HD11 LEU 48 -4.297 -6.419 2.548 359 HD12 LEU 48 HD12 LEU 48 -2.726 -5.929 1.925 360 HD13 LEU 48 HD13 LEU 48 -3.392 -7.489 1.488 361 HD21 LEU 48 HD21 LEU 48 -4.335 -3.943 1.500 362 HD22 LEU 48 HD22 LEU 48 -5.872 -4.804 1.517 363 HD23 LEU 48 HD23 LEU 48 -5.329 -3.997 0.044 364 H VAL 49 HN VAL 49 -4.044 -7.251 -2.694 365 HA VAL 49 HA VAL 49 -5.461 -9.395 -1.497 366 HB VAL 49 HB VAL 49 -4.767 -9.165 -4.443 367 HG11 VAL 49 HG11 VAL 49 -5.741 -11.283 -3.993 368 HG12 VAL 49 HG12 VAL 49 -7.051 -10.287 -4.630 369 HG13 VAL 49 HG13 VAL 49 -6.935 -10.587 -2.896 370 HG21 VAL 49 HG21 VAL 49 -7.423 -8.155 -3.767 371 HG22 VAL 49 HG22 VAL 49 -6.121 -7.327 -4.610 372 HG23 VAL 49 HG23 VAL 49 -6.202 -7.267 -2.849 373 H GLU 50 HN GLU 50 -2.485 -9.328 -3.382 374 HA GLU 50 HA GLU 50 -2.029 -12.133 -3.479 375 HB2 GLU 50 HB2 GLU 50 -0.150 -9.762 -3.490 376 HB3 GLU 50 HB1 GLU 50 0.401 -11.424 -3.714 377 HG2 GLU 50 HG2 GLU 50 -1.077 -11.683 -5.638 378 HG3 GLU 50 HG1 GLU 50 -1.713 -10.067 -5.401 379 H LYS 51 HN LYS 51 -1.123 -9.645 -1.066 380 HA LYS 51 HA LYS 51 0.370 -11.401 0.623 381 HB2 LYS 51 HB2 LYS 51 -0.962 -8.751 0.897 382 HB3 LYS 51 HB1 LYS 51 -0.613 -9.595 2.391 383 HG2 LYS 51 HG2 LYS 51 1.759 -9.828 1.698 384 HG3 LYS 51 HG1 LYS 51 1.395 -8.965 0.208 385 HD2 LYS 51 HD2 LYS 51 2.382 -7.438 1.863 386 HD3 LYS 51 HD1 LYS 51 0.718 -6.983 1.509 387 HE2 LYS 51 HE2 LYS 51 1.545 -7.113 4.014 388 HE3 LYS 51 HE1 LYS 51 -0.066 -7.686 3.588 389 HZ1 LYS 51 HZ1 LYS 51 2.380 -9.342 3.897 390 HZ2 LYS 51 HZ2 LYS 51 0.877 -9.930 3.366 391 HZ3 LYS 51 HZ3 LYS 51 1.042 -9.310 4.939 392 H LEU 52 HN LEU 52 -3.050 -10.306 0.972 393 HA LEU 52 HA LEU 52 -3.703 -12.064 3.095 394 HB2 LEU 52 HB2 LEU 52 -5.411 -10.953 0.856 395 HB3 LEU 52 HB1 LEU 52 -6.072 -11.837 2.229 396 HG LEU 52 HG LEU 52 -4.354 -9.355 2.480 397 HD11 LEU 52 HD11 LEU 52 -7.365 -9.683 2.554 398 HD12 LEU 52 HD12 LEU 52 -6.431 -8.769 1.369 399 HD13 LEU 52 HD13 LEU 52 -6.511 -8.219 3.043 400 HD21 LEU 52 HD21 LEU 52 -4.190 -10.355 4.567 401 HD22 LEU 52 HD22 LEU 52 -5.739 -11.184 4.422 402 HD23 LEU 52 HD23 LEU 52 -5.690 -9.464 4.799 403 H ASP 53 HN ASP 53 -5.733 -13.721 2.399 404 HA ASP 53 HA ASP 53 -5.033 -15.395 0.113 405 HB2 ASP 53 HB2 ASP 53 -3.299 -16.083 1.736 406 HB3 ASP 53 HB1 ASP 53 -4.555 -16.443 2.921 407 H VAL 54 HN VAL 54 -7.416 -14.070 0.925 408 HA VAL 54 HA VAL 54 -9.224 -16.407 1.115 409 HB VAL 54 HB VAL 54 -10.556 -15.351 2.924 410 HG11 VAL 54 HG11 VAL 54 -9.117 -16.001 4.726 411 HG12 VAL 54 HG12 VAL 54 -7.669 -15.644 3.785 412 HG13 VAL 54 HG13 VAL 54 -8.682 -17.022 3.355 413 HG21 VAL 54 HG21 VAL 54 -9.291 -13.533 4.249 414 HG22 VAL 54 HG22 VAL 54 -10.041 -13.036 2.733 415 HG23 VAL 54 HG23 VAL 54 -8.305 -13.333 2.801 416 H LYS 55 HN LYS 55 -10.857 -16.118 -0.318 417 HA LYS 55 HA LYS 55 -12.193 -15.062 -1.936 418 HB2 LYS 55 HB2 LYS 55 -12.184 -12.926 0.219 419 HB3 LYS 55 HB1 LYS 55 -13.291 -12.966 -1.155 420 HG2 LYS 55 HG2 LYS 55 -13.918 -15.335 -0.367 421 HG3 LYS 55 HG1 LYS 55 -13.089 -14.926 1.136 422 HD2 LYS 55 HD2 LYS 55 -14.565 -13.008 1.471 423 HD3 LYS 55 HD1 LYS 55 -15.351 -13.312 -0.079 424 HE2 LYS 55 HE2 LYS 55 -16.735 -14.236 1.700 425 HE3 LYS 55 HE1 LYS 55 -16.044 -15.561 0.765 426 HZ1 LYS 55 HZ1 LYS 55 -14.269 -15.710 2.444 427 HZ2 LYS 55 HZ2 LYS 55 -15.809 -16.024 3.089 428 HZ3 LYS 55 HZ3 LYS 55 -15.058 -14.525 3.366 429 H LYS 56 HN LYS 56 -10.857 -14.652 -3.682 430 HA LYS 56 HA LYS 56 -8.935 -12.440 -3.614 431 HB2 LYS 56 HB2 LYS 56 -9.253 -14.824 -5.116 432 HB3 LYS 56 HB1 LYS 56 -9.451 -13.530 -6.284 433 HG2 LYS 56 HG2 LYS 56 -7.135 -13.903 -6.319 434 HG3 LYS 56 HG1 LYS 56 -7.288 -12.535 -5.225 435 HD2 LYS 56 HD2 LYS 56 -5.900 -13.932 -3.972 436 HD3 LYS 56 HD1 LYS 56 -7.482 -14.422 -3.370 437 HE2 LYS 56 HE2 LYS 56 -6.487 -16.486 -3.860 438 HE3 LYS 56 HE1 LYS 56 -7.391 -16.167 -5.340 439 HZ1 LYS 56 HZ1 LYS 56 -4.830 -16.779 -5.345 440 HZ2 LYS 56 HZ2 LYS 56 -4.686 -15.094 -5.186 441 HZ3 LYS 56 HZ3 LYS 56 -5.520 -15.757 -6.509 442 H ASP 57 HN ASP 57 -9.274 -10.412 -4.437 443 HA ASP 57 HA ASP 57 -11.570 -9.905 -6.229 444 HB2 ASP 57 HB2 ASP 57 -11.238 -8.033 -3.912 445 HB3 ASP 57 HB1 ASP 57 -12.689 -8.450 -4.809 446 H TRP 58 HN TRP 58 -11.268 -7.922 -7.419 447 HA TRP 58 HA TRP 58 -8.655 -6.554 -7.101 448 HB2 TRP 58 HB2 TRP 58 -9.750 -7.501 -9.751 449 HB3 TRP 58 HB1 TRP 58 -8.171 -6.820 -9.416 450 HD1 TRP 58 HD1 TRP 58 -7.031 -8.391 -7.137 451 HE1 TRP 58 HE1 TRP 58 -6.645 -10.938 -7.233 452 HE3 TRP 58 HE3 TRP 58 -10.267 -9.630 -10.886 453 HZ2 TRP 58 HZ2 TRP 58 -7.586 -13.202 -8.706 454 HZ3 TRP 58 HZ3 TRP 58 -10.504 -11.986 -11.615 455 HH2 TRP 58 HH2 TRP 58 -9.169 -13.773 -10.531 456 H SER 59 HN SER 59 -11.037 -6.316 -9.729 457 HA SER 59 HA SER 59 -11.150 -3.430 -9.397 458 HB2 SER 59 HB2 SER 59 -12.703 -5.342 -11.159 459 HB3 SER 59 HB1 SER 59 -12.893 -3.592 -11.215 460 HG SER 59 HG SER 59 -11.196 -4.914 -12.571 461 H ASP 60 HN ASP 60 -12.445 -5.755 -7.544 462 HA ASP 60 HA ASP 60 -15.121 -4.475 -7.227 463 HB2 ASP 60 HB2 ASP 60 -15.169 -6.891 -7.386 464 HB3 ASP 60 HB1 ASP 60 -13.955 -7.039 -6.121 465 H HIS 61 HN HIS 61 -12.305 -5.451 -5.169 466 HA HIS 61 HA HIS 61 -13.375 -3.991 -2.914 467 HB2 HIS 61 HB2 HIS 61 -11.176 -4.447 -1.887 468 HB3 HIS 61 HB1 HIS 61 -11.916 -5.902 -2.539 469 HD1 HIS 61 HD1 HIS 61 -10.340 -3.438 -4.866 470 HD2 HIS 61 HD2 HIS 61 -9.339 -7.060 -3.068 471 HE1 HIS 61 HE1 HIS 61 -8.278 -4.282 -6.047 472 H ALA 62 HN ALA 62 -11.748 -2.337 -1.829 473 HA ALA 62 HA ALA 62 -10.350 -0.594 -3.748 474 HB1 ALA 62 HB1 ALA 62 -11.815 1.372 -3.252 475 HB2 ALA 62 HB2 ALA 62 -12.928 0.283 -2.422 476 HB3 ALA 62 HB3 ALA 62 -12.647 0.105 -4.156 477 H LEU 63 HN LEU 63 -9.380 1.360 -2.590 478 HA LEU 63 HA LEU 63 -8.934 0.725 0.295 479 HB2 LEU 63 HB2 LEU 63 -7.247 2.412 -1.554 480 HB3 LEU 63 HB1 LEU 63 -6.834 1.912 0.077 481 HG LEU 63 HG LEU 63 -5.626 0.498 -1.382 482 HD11 LEU 63 HD11 LEU 63 -6.896 -0.547 0.557 483 HD12 LEU 63 HD12 LEU 63 -6.309 -1.645 -0.690 484 HD13 LEU 63 HD13 LEU 63 -8.010 -1.182 -0.657 485 HD21 LEU 63 HD21 LEU 63 -7.386 0.969 -3.337 486 HD22 LEU 63 HD22 LEU 63 -8.027 -0.585 -2.806 487 HD23 LEU 63 HD23 LEU 63 -6.354 -0.466 -3.361 488 H TRP 64 HN TRP 64 -9.998 2.120 1.691 489 HA TRP 64 HA TRP 64 -10.832 4.755 0.597 490 HB2 TRP 64 HB2 TRP 64 -12.042 3.101 2.429 491 HB3 TRP 64 HB1 TRP 64 -11.207 4.193 3.512 492 HD1 TRP 64 HD1 TRP 64 -11.443 6.859 1.858 493 HE1 TRP 64 HE1 TRP 64 -13.730 8.023 1.624 494 HE3 TRP 64 HE3 TRP 64 -14.545 2.919 2.833 495 HZ2 TRP 64 HZ2 TRP 64 -16.508 7.372 1.825 496 HZ3 TRP 64 HZ3 TRP 64 -17.005 3.220 2.805 497 HH2 TRP 64 HH2 TRP 64 -17.989 5.440 2.302 498 H TRP 65 HN TRP 65 -9.603 6.560 0.872 499 HA TRP 65 HA TRP 65 -7.257 6.405 2.727 500 HB2 TRP 65 HB2 TRP 65 -6.988 6.787 0.216 501 HB3 TRP 65 HB1 TRP 65 -7.706 8.362 0.481 502 HD1 TRP 65 HD1 TRP 65 -5.067 8.584 -0.702 503 HE1 TRP 65 HE1 TRP 65 -2.967 9.415 0.513 504 HE3 TRP 65 HE3 TRP 65 -6.327 7.633 4.222 505 HZ2 TRP 65 HZ2 TRP 65 -1.953 9.664 3.141 506 HZ3 TRP 65 HZ3 TRP 65 -4.761 8.191 6.012 507 HH2 TRP 65 HH2 TRP 65 -2.591 9.209 5.500 508 H GLU 66 HN GLU 66 -8.281 7.150 4.623 509 HA GLU 66 HA GLU 66 -10.216 9.113 4.931 510 HB2 GLU 66 HB2 GLU 66 -9.217 9.491 7.213 511 HB3 GLU 66 HB1 GLU 66 -9.528 7.802 6.817 512 HG2 GLU 66 HG2 GLU 66 -7.231 7.374 6.367 513 HG3 GLU 66 HG1 GLU 66 -6.849 9.095 6.334 514 H LYS 67 HN LYS 67 -6.834 9.626 4.054 515 HA LYS 67 HA LYS 67 -6.175 12.132 4.899 516 HB2 LYS 67 HB2 LYS 67 -4.799 11.013 3.340 517 HB3 LYS 67 HB1 LYS 67 -6.051 11.044 2.097 518 HG2 LYS 67 HG2 LYS 67 -5.813 13.362 1.755 519 HG3 LYS 67 HG1 LYS 67 -4.991 13.597 3.298 520 HD2 LYS 67 HD2 LYS 67 -2.968 12.701 2.515 521 HD3 LYS 67 HD1 LYS 67 -3.751 11.863 1.179 522 HE2 LYS 67 HE2 LYS 67 -4.016 13.844 -0.072 523 HE3 LYS 67 HE1 LYS 67 -3.797 14.868 1.347 524 HZ1 LYS 67 HZ1 LYS 67 -1.542 14.600 1.312 525 HZ2 LYS 67 HZ2 LYS 67 -1.869 14.521 -0.353 526 HZ3 LYS 67 HZ3 LYS 67 -1.606 13.095 0.532 527 H LYS 68 HN LYS 68 -8.417 11.622 2.139 528 HA LYS 68 HA LYS 68 -9.704 14.228 2.816 529 HB2 LYS 68 HB2 LYS 68 -9.783 14.696 0.301 530 HB3 LYS 68 HB1 LYS 68 -8.217 14.914 1.081 531 HG2 LYS 68 HG2 LYS 68 -7.580 12.607 0.361 532 HG3 LYS 68 HG1 LYS 68 -9.111 12.487 -0.498 533 HD2 LYS 68 HD2 LYS 68 -6.939 14.538 -1.021 534 HD3 LYS 68 HD1 LYS 68 -7.309 13.145 -2.036 535 HE2 LYS 68 HE2 LYS 68 -8.502 14.815 -3.140 536 HE3 LYS 68 HE1 LYS 68 -9.746 14.200 -2.052 537 HZ1 LYS 68 HZ1 LYS 68 -9.812 16.127 -0.978 538 HZ2 LYS 68 HZ2 LYS 68 -8.849 16.782 -2.216 539 HZ3 LYS 68 HZ3 LYS 68 -8.126 16.184 -0.799 540 H ARG 69 HN ARG 69 -10.221 11.166 2.765 541 HA ARG 69 HA ARG 69 -12.099 9.818 2.489 542 HB2 ARG 69 HB2 ARG 69 -13.667 12.285 1.712 543 HB3 ARG 69 HB1 ARG 69 -14.240 10.832 2.523 544 HG2 ARG 69 HG2 ARG 69 -12.484 13.015 3.673 545 HG3 ARG 69 HG1 ARG 69 -14.087 12.520 4.213 546 HD2 ARG 69 HD2 ARG 69 -13.062 10.224 4.687 547 HD3 ARG 69 HD1 ARG 69 -11.493 10.996 4.465 548 HE ARG 69 HE ARG 69 -11.765 12.005 6.579 549 HH11 ARG 69 HH21 ARG 69 -14.765 10.911 5.278 550 HH12 ARG 69 HH22 ARG 69 -15.665 11.251 6.717 551 HH21 ARG 69 HH11 ARG 69 -12.925 12.452 8.468 552 HH22 ARG 69 HH12 ARG 69 -14.624 12.123 8.522 553 H THR 70 HN THR 70 -10.789 9.172 0.532 554 HA THR 70 HA THR 70 -12.499 9.364 -1.854 555 HB THR 70 HB THR 70 -10.597 11.200 -1.713 556 HG1 THR 70 HG1 THR 70 -12.019 10.344 -3.538 557 HG21 THR 70 HG21 THR 70 -8.852 9.355 -1.312 558 HG22 THR 70 HG22 THR 70 -8.467 10.548 -2.554 559 HG23 THR 70 HG23 THR 70 -9.055 8.949 -3.017 560 H TRP 71 HN TRP 71 -11.911 7.725 -3.425 561 HA TRP 71 HA TRP 71 -10.588 5.366 -2.176 562 HB2 TRP 71 HB2 TRP 71 -12.118 5.138 -4.743 563 HB3 TRP 71 HB1 TRP 71 -12.031 4.029 -3.386 564 HD1 TRP 71 HD1 TRP 71 -13.505 7.536 -4.127 565 HE1 TRP 71 HE1 TRP 71 -15.736 7.741 -2.856 566 HE3 TRP 71 HE3 TRP 71 -13.557 3.041 -1.703 567 HZ2 TRP 71 HZ2 TRP 71 -17.336 6.201 -1.054 568 HZ3 TRP 71 HZ3 TRP 71 -15.448 2.437 -0.223 569 HH2 TRP 71 HH2 TRP 71 -17.336 4.006 0.104 570 H LEU 72 HN LEU 72 -9.100 4.143 -3.487 571 HA LEU 72 HA LEU 72 -7.729 5.765 -5.605 572 HB2 LEU 72 HB2 LEU 72 -6.412 3.397 -4.301 573 HB3 LEU 72 HB1 LEU 72 -5.702 4.905 -4.879 574 HG LEU 72 HG LEU 72 -7.474 4.717 -2.437 575 HD11 LEU 72 HD11 LEU 72 -4.480 5.004 -2.533 576 HD12 LEU 72 HD12 LEU 72 -5.312 3.474 -2.245 577 HD13 LEU 72 HD13 LEU 72 -5.504 4.809 -1.111 578 HD21 LEU 72 HD21 LEU 72 -7.488 6.921 -3.450 579 HD22 LEU 72 HD22 LEU 72 -5.735 6.888 -3.640 580 HD23 LEU 72 HD23 LEU 72 -6.444 6.986 -2.030 581 H LEU 73 HN LEU 73 -8.327 5.057 -7.593 582 HA LEU 73 HA LEU 73 -8.919 2.151 -7.980 583 HB2 LEU 73 HB2 LEU 73 -9.840 4.499 -9.649 584 HB3 LEU 73 HB1 LEU 73 -10.329 2.830 -9.827 585 HG LEU 73 HG LEU 73 -12.111 3.912 -8.675 586 HD11 LEU 73 HD11 LEU 73 -10.582 2.644 -6.410 587 HD12 LEU 73 HD12 LEU 73 -11.195 1.681 -7.755 588 HD13 LEU 73 HD13 LEU 73 -12.313 2.591 -6.740 589 HD21 LEU 73 HD21 LEU 73 -10.456 4.835 -6.362 590 HD22 LEU 73 HD22 LEU 73 -11.914 5.530 -7.048 591 HD23 LEU 73 HD23 LEU 73 -10.365 5.790 -7.837 592 H LYS 74 HN LYS 74 -8.052 4.782 -10.233 593 HA LYS 74 HA LYS 74 -6.778 3.047 -12.010 594 HB2 LYS 74 HB2 LYS 74 -6.202 4.906 -13.287 595 HB3 LYS 74 HB1 LYS 74 -7.666 5.368 -12.438 596 HG2 LYS 74 HG2 LYS 74 -4.978 6.059 -11.254 597 HG3 LYS 74 HG1 LYS 74 -5.650 7.030 -12.537 598 HD2 LYS 74 HD2 LYS 74 -6.406 8.097 -10.604 599 HD3 LYS 74 HD1 LYS 74 -7.789 7.167 -11.105 600 HE2 LYS 74 HE2 LYS 74 -7.792 6.059 -9.122 601 HE3 LYS 74 HE1 LYS 74 -6.113 5.597 -9.328 602 HZ1 LYS 74 HZ1 LYS 74 -6.682 8.362 -8.597 603 HZ2 LYS 74 HZ2 LYS 74 -5.369 7.375 -8.167 604 HZ3 LYS 74 HZ3 LYS 74 -6.872 7.175 -7.401 605 H THR 75 HN THR 75 -4.681 2.660 -12.583 606 HA THR 75 HA THR 75 -2.776 2.581 -10.356 607 HB THR 75 HB THR 75 -2.665 0.632 -11.667 608 HG1 THR 75 HG1 THR 75 -0.654 0.711 -12.471 609 HG21 THR 75 HG21 THR 75 -2.504 0.852 -14.229 610 HG22 THR 75 HG22 THR 75 -3.054 2.512 -13.995 611 HG23 THR 75 HG23 THR 75 -4.070 1.163 -13.483 612 H HIS 76 HN HIS 76 -3.185 4.219 -13.443 613 HA HIS 76 HA HIS 76 -0.799 5.474 -13.935 614 HB2 HIS 76 HB2 HIS 76 -3.005 5.753 -15.164 615 HB3 HIS 76 HB1 HIS 76 -3.417 6.973 -13.957 616 HD1 HIS 76 HD1 HIS 76 0.064 7.325 -14.249 617 HD2 HIS 76 HD2 HIS 76 -3.098 8.399 -16.744 618 HE1 HIS 76 HE1 HIS 76 0.953 9.118 -15.801 619 H TRP 77 HN TRP 77 -2.752 6.002 -11.130 620 HA TRP 77 HA TRP 77 -1.150 8.437 -10.410 621 HB2 TRP 77 HB2 TRP 77 -3.923 7.519 -9.777 622 HB3 TRP 77 HB1 TRP 77 -3.084 8.482 -8.575 623 HD1 TRP 77 HD1 TRP 77 -2.611 9.046 -12.333 624 HE1 TRP 77 HE1 TRP 77 -3.509 11.383 -12.931 625 HE3 TRP 77 HE3 TRP 77 -4.726 10.345 -7.871 626 HZ2 TRP 77 HZ2 TRP 77 -4.937 13.524 -11.684 627 HZ3 TRP 77 HZ3 TRP 77 -5.848 12.538 -7.605 628 HH2 TRP 77 HH2 TRP 77 -5.956 14.128 -9.504 629 H THR 78 HN THR 78 0.472 6.578 -9.955 630 HA THR 78 HA THR 78 0.343 4.746 -7.875 631 HB THR 78 HB THR 78 2.829 6.416 -7.978 632 HG1 THR 78 HG1 THR 78 1.520 5.427 -10.203 633 HG21 THR 78 HG21 THR 78 2.412 3.483 -8.529 634 HG22 THR 78 HG22 THR 78 2.640 4.144 -6.913 635 HG23 THR 78 HG23 THR 78 3.919 4.289 -8.112 636 H LEU 79 HN LEU 79 1.502 5.147 -5.639 637 HA LEU 79 HA LEU 79 -0.036 7.181 -4.286 638 HB2 LEU 79 HB2 LEU 79 2.429 6.067 -2.985 639 HB3 LEU 79 HB1 LEU 79 0.839 6.364 -2.310 640 HG LEU 79 HG LEU 79 0.985 4.056 -2.402 641 HD11 LEU 79 HD11 LEU 79 -0.883 3.480 -3.590 642 HD12 LEU 79 HD12 LEU 79 -0.350 4.292 -5.052 643 HD13 LEU 79 HD13 LEU 79 -1.023 5.226 -3.717 644 HD21 LEU 79 HD21 LEU 79 2.788 4.495 -4.610 645 HD22 LEU 79 HD22 LEU 79 1.580 3.295 -5.059 646 HD23 LEU 79 HD23 LEU 79 2.561 3.060 -3.620 647 H ASP 80 HN ASP 80 3.373 6.845 -5.144 648 HA ASP 80 HA ASP 80 4.154 9.390 -4.134 649 HB2 ASP 80 HB2 ASP 80 6.006 8.204 -4.774 650 HB3 ASP 80 HB1 ASP 80 5.210 7.451 -6.134 651 H LYS 81 HN LYS 81 2.550 8.374 -7.119 652 HA LYS 81 HA LYS 81 2.735 10.859 -8.524 653 HB2 LYS 81 HB2 LYS 81 1.044 8.486 -8.662 654 HB3 LYS 81 HB1 LYS 81 0.095 9.916 -8.994 655 HG2 LYS 81 HG2 LYS 81 0.861 9.375 -11.112 656 HG3 LYS 81 HG1 LYS 81 2.069 10.529 -10.619 657 HD2 LYS 81 HD2 LYS 81 3.701 8.965 -10.914 658 HD3 LYS 81 HD1 LYS 81 2.949 7.944 -9.706 659 HE2 LYS 81 HE2 LYS 81 3.093 6.715 -11.798 660 HE3 LYS 81 HE1 LYS 81 1.401 7.071 -11.428 661 HZ1 LYS 81 HZ1 LYS 81 1.294 8.684 -13.047 662 HZ2 LYS 81 HZ2 LYS 81 2.297 7.529 -13.787 663 HZ3 LYS 81 HZ3 LYS 81 2.972 8.924 -13.090 664 H TYR 82 HN TYR 82 0.480 9.719 -6.082 665 HA TYR 82 HA TYR 82 -1.016 12.205 -5.980 666 HB2 TYR 82 HB2 TYR 82 -1.236 9.593 -4.854 667 HB3 TYR 82 HB1 TYR 82 -1.124 10.685 -3.479 668 HD1 TYR 82 HD2 TYR 82 -2.477 13.094 -4.303 669 HD2 TYR 82 HD1 TYR 82 -3.481 9.011 -5.192 670 HE1 TYR 82 HE2 TYR 82 -4.849 13.744 -4.620 671 HE2 TYR 82 HE1 TYR 82 -5.851 9.663 -5.508 672 HH TYR 82 HH TYR 82 -6.916 12.473 -6.142 673 H GLY 83 HN GLY 83 2.005 11.115 -4.803 674 HA2 GLY 83 HA2 GLY 83 3.679 12.528 -3.809 675 HA3 GLY 83 HA1 GLY 83 2.420 13.699 -3.396 676 H ILE 84 HN ILE 84 2.370 10.252 -2.880 677 HA ILE 84 HA ILE 84 1.838 10.700 0.019 678 HB ILE 84 HB ILE 84 1.204 8.633 -2.025 679 HG12 ILE 84 HG12 ILE 84 -0.328 9.363 0.473 680 HG13 ILE 84 HG11 ILE 84 -0.373 10.368 -0.976 681 HG21 ILE 84 HG21 ILE 84 0.669 6.990 -0.103 682 HG22 ILE 84 HG22 ILE 84 1.838 7.916 0.828 683 HG23 ILE 84 HG23 ILE 84 2.341 7.106 -0.653 684 HD11 ILE 84 HD11 ILE 84 -2.252 8.801 -1.008 685 HD12 ILE 84 HD12 ILE 84 -1.148 7.441 -0.807 686 HD13 ILE 84 HD13 ILE 84 -1.116 8.391 -2.292 687 H GLN 85 HN GLN 85 3.002 9.641 1.620 688 HA GLN 85 HA GLN 85 5.618 8.406 0.845 689 HB2 GLN 85 HB2 GLN 85 5.035 10.379 3.076 690 HB3 GLN 85 HB1 GLN 85 6.554 9.500 2.902 691 HG2 GLN 85 HG2 GLN 85 7.073 10.582 0.853 692 HG3 GLN 85 HG1 GLN 85 5.418 11.161 0.657 693 HE21 GLN 85 HE21 GLN 85 5.621 13.422 0.809 694 HE22 GLN 85 HE22 GLN 85 6.381 14.228 2.095 695 H ALA 86 HN ALA 86 6.295 7.875 3.602 696 HA ALA 86 HA ALA 86 4.578 5.538 4.031 697 HB1 ALA 86 HB1 ALA 86 7.200 5.920 4.440 698 HB2 ALA 86 HB2 ALA 86 6.275 4.765 5.400 699 HB3 ALA 86 HB3 ALA 86 6.634 6.367 6.047 700 H ASP 87 HN ASP 87 4.320 8.749 4.786 701 HA ASP 87 HA ASP 87 3.182 8.396 7.490 702 HB2 ASP 87 HB2 ASP 87 4.534 10.430 6.775 703 HB3 ASP 87 HB1 ASP 87 3.164 10.872 5.757 704 H ALA 88 HN ALA 88 2.191 7.593 4.613 705 HA ALA 88 HA ALA 88 -0.563 8.703 4.744 706 HB1 ALA 88 HB1 ALA 88 0.523 8.698 2.560 707 HB2 ALA 88 HB2 ALA 88 -0.836 7.571 2.547 708 HB3 ALA 88 HB3 ALA 88 0.813 6.961 2.686 709 H LYS 89 HN LYS 89 -1.963 7.585 6.014 710 HA LYS 89 HA LYS 89 -1.580 4.659 6.414 711 HB2 LYS 89 HB2 LYS 89 -3.094 6.833 7.855 712 HB3 LYS 89 HB1 LYS 89 -3.631 5.179 8.024 713 HG2 LYS 89 HG2 LYS 89 -2.060 5.753 9.825 714 HG3 LYS 89 HG1 LYS 89 -1.398 4.494 8.788 715 HD2 LYS 89 HD2 LYS 89 0.303 6.207 9.295 716 HD3 LYS 89 HD1 LYS 89 -0.067 6.172 7.574 717 HE2 LYS 89 HE2 LYS 89 0.053 8.482 8.769 718 HE3 LYS 89 HE1 LYS 89 -1.287 8.177 7.668 719 HZ1 LYS 89 HZ1 LYS 89 -1.719 9.109 10.044 720 HZ2 LYS 89 HZ2 LYS 89 -1.589 7.478 10.502 721 HZ3 LYS 89 HZ3 LYS 89 -2.769 7.956 9.377 722 H LEU 90 HN LEU 90 -2.535 3.518 4.743 723 HA LEU 90 HA LEU 90 -4.945 4.598 3.443 724 HB2 LEU 90 HB2 LEU 90 -3.408 2.040 2.964 725 HB3 LEU 90 HB1 LEU 90 -4.695 2.676 1.943 726 HG LEU 90 HG LEU 90 -2.109 4.126 2.569 727 HD11 LEU 90 HD11 LEU 90 -1.509 3.629 0.233 728 HD12 LEU 90 HD12 LEU 90 -3.007 2.720 0.036 729 HD13 LEU 90 HD13 LEU 90 -1.762 2.139 1.141 730 HD21 LEU 90 HD21 LEU 90 -3.584 5.853 2.054 731 HD22 LEU 90 HD22 LEU 90 -4.595 4.831 1.032 732 HD23 LEU 90 HD23 LEU 90 -3.047 5.423 0.431 733 H GLN 91 HN GLN 91 -6.630 2.949 2.959 734 HA GLN 91 HA GLN 91 -7.285 1.229 5.232 735 HB2 GLN 91 HB2 GLN 91 -9.452 2.847 4.016 736 HB3 GLN 91 HB1 GLN 91 -9.430 2.007 5.535 737 HG2 GLN 91 HG2 GLN 91 -8.020 3.600 6.560 738 HG3 GLN 91 HG1 GLN 91 -7.588 4.340 5.034 739 HE21 GLN 91 HE21 GLN 91 -8.898 6.019 4.286 740 HE22 GLN 91 HE22 GLN 91 -10.356 6.491 5.012 741 H PHE 92 HN PHE 92 -9.202 -0.137 4.528 742 HA PHE 92 HA PHE 92 -9.045 -0.857 1.649 743 HB2 PHE 92 HB2 PHE 92 -7.923 -2.480 3.323 744 HB3 PHE 92 HB1 PHE 92 -9.535 -2.858 3.820 745 HD1 PHE 92 HD2 PHE 92 -7.174 -2.954 1.022 746 HD2 PHE 92 HD1 PHE 92 -11.040 -4.132 2.446 747 HE1 PHE 92 HE2 PHE 92 -7.392 -4.536 -0.880 748 HE2 PHE 92 HE1 PHE 92 -11.258 -5.716 0.555 749 HZ PHE 92 HZ PHE 92 -9.431 -5.914 -1.100 750 H THR 93 HN THR 93 -11.023 -1.525 0.831 751 HA THR 93 HA THR 93 -13.361 -1.716 2.534 752 HB THR 93 HB THR 93 -13.281 0.605 2.727 753 HG1 THR 93 HG1 THR 93 -14.876 1.316 1.043 754 HG21 THR 93 HG21 THR 93 -12.430 0.553 -0.160 755 HG22 THR 93 HG22 THR 93 -11.546 1.159 1.237 756 HG23 THR 93 HG23 THR 93 -12.953 2.035 0.631 757 HA PRO 94 HA PRO 94 -14.721 -3.882 -1.069 758 HB2 PRO 94 HB2 PRO 94 -17.425 -3.963 -0.690 759 HB3 PRO 94 HB1 PRO 94 -16.292 -4.901 0.305 760 HG2 PRO 94 HG2 PRO 94 -17.611 -2.285 0.909 761 HG3 PRO 94 HG1 PRO 94 -17.400 -3.704 1.954 762 HD2 PRO 94 HD2 PRO 94 -15.766 -1.531 2.123 763 HD3 PRO 94 HD1 PRO 94 -15.186 -3.177 2.452 Start of MODEL 3 1 H MET 1 HT1 MET 1 37.650 -6.256 8.936 2 HA MET 1 HA MET 1 36.496 -4.515 8.220 3 HB2 MET 1 HB2 MET 1 37.575 -5.204 5.473 4 HB3 MET 1 HB1 MET 1 36.628 -3.762 5.844 5 HG2 MET 1 HG2 MET 1 38.307 -2.913 7.304 6 HG3 MET 1 HG1 MET 1 39.162 -4.451 7.336 7 HE1 MET 1 HE1 MET 1 41.230 -2.859 6.970 8 HE2 MET 1 HE2 MET 1 41.954 -3.076 5.379 9 HE3 MET 1 HE3 MET 1 41.380 -4.479 6.276 10 H ALA 2 HN ALA 2 34.880 -4.246 5.886 11 HA ALA 2 HA ALA 2 33.452 -6.650 5.244 12 HB1 ALA 2 HB1 ALA 2 32.370 -4.956 7.502 13 HB2 ALA 2 HB2 ALA 2 32.627 -6.701 7.478 14 HB3 ALA 2 HB3 ALA 2 31.326 -5.988 6.523 15 H LEU 3 HN LEU 3 31.814 -6.216 3.690 16 HA LEU 3 HA LEU 3 32.000 -3.609 2.425 17 HB2 LEU 3 HB2 LEU 3 30.111 -4.887 1.011 18 HB3 LEU 3 HB1 LEU 3 31.797 -5.248 0.800 19 HG LEU 3 HG LEU 3 30.286 -6.756 2.913 20 HD11 LEU 3 HD11 LEU 3 30.065 -7.225 -0.069 21 HD12 LEU 3 HD12 LEU 3 28.754 -6.992 1.087 22 HD13 LEU 3 HD13 LEU 3 29.715 -8.469 1.131 23 HD21 LEU 3 HD21 LEU 3 32.281 -7.848 0.921 24 HD22 LEU 3 HD22 LEU 3 31.932 -8.407 2.556 25 HD23 LEU 3 HD23 LEU 3 32.838 -6.916 2.309 26 H ASP 4 HN ASP 4 28.951 -5.131 2.372 27 HA ASP 4 HA ASP 4 26.809 -4.386 2.971 28 HB2 ASP 4 HB2 ASP 4 27.388 -5.211 5.118 29 HB3 ASP 4 HB1 ASP 4 28.504 -3.883 5.385 30 H GLY 5 HN GLY 5 29.184 -2.396 2.167 31 HA2 GLY 5 HA2 GLY 5 27.577 0.107 2.556 32 HA3 GLY 5 HA1 GLY 5 29.338 0.068 2.572 33 H ILE 6 HN ILE 6 27.987 -2.145 0.456 34 HA ILE 6 HA ILE 6 29.229 -1.224 -1.855 35 HB ILE 6 HB ILE 6 26.596 -2.681 -1.678 36 HG12 ILE 6 HG12 ILE 6 29.451 -3.680 -1.574 37 HG13 ILE 6 HG11 ILE 6 28.257 -3.770 -0.281 38 HG21 ILE 6 HG21 ILE 6 28.753 -2.899 -3.796 39 HG22 ILE 6 HG22 ILE 6 27.370 -1.821 -3.969 40 HG23 ILE 6 HG23 ILE 6 27.121 -3.561 -3.857 41 HD11 ILE 6 HD11 ILE 6 26.808 -5.109 -1.918 42 HD12 ILE 6 HD12 ILE 6 28.239 -5.926 -1.288 43 HD13 ILE 6 HD13 ILE 6 28.256 -5.248 -2.916 44 H ARG 7 HN ARG 7 25.869 -1.286 -2.456 45 HA ARG 7 HA ARG 7 25.524 1.626 -2.449 46 HB2 ARG 7 HB2 ARG 7 26.766 0.946 -4.571 47 HB3 ARG 7 HB1 ARG 7 25.311 0.078 -5.036 48 HG2 ARG 7 HG2 ARG 7 25.035 2.189 -6.059 49 HG3 ARG 7 HG1 ARG 7 24.055 2.291 -4.596 50 HD2 ARG 7 HD2 ARG 7 25.237 4.173 -4.080 51 HD3 ARG 7 HD1 ARG 7 26.626 3.130 -3.788 52 HE ARG 7 HE ARG 7 26.463 3.632 -6.586 53 HH11 ARG 7 HH21 ARG 7 27.043 5.196 -3.569 54 HH12 ARG 7 HH22 ARG 7 28.090 6.400 -4.243 55 HH21 ARG 7 HH11 ARG 7 27.826 5.194 -7.484 56 HH22 ARG 7 HH12 ARG 7 28.534 6.398 -6.460 57 H MET 8 HN MET 8 24.280 -1.412 -3.725 58 HA MET 8 HA MET 8 21.521 -0.674 -3.746 59 HB2 MET 8 HB2 MET 8 21.181 -2.991 -4.308 60 HB3 MET 8 HB1 MET 8 22.739 -2.572 -4.961 61 HG2 MET 8 HG2 MET 8 23.928 -3.677 -3.242 62 HG3 MET 8 HG1 MET 8 22.508 -3.830 -2.221 63 HE1 MET 8 HE1 MET 8 23.498 -4.548 -5.984 64 HE2 MET 8 HE2 MET 8 23.742 -6.287 -5.850 65 HE3 MET 8 HE3 MET 8 24.707 -5.191 -4.864 66 HA PRO 9 HA PRO 9 20.089 -1.379 0.465 67 HB2 PRO 9 HB2 PRO 9 19.910 -4.380 0.267 68 HB3 PRO 9 HB1 PRO 9 18.758 -3.229 0.983 69 HG2 PRO 9 HG2 PRO 9 18.246 -4.232 -1.380 70 HG3 PRO 9 HG1 PRO 9 18.016 -2.495 -1.101 71 HD2 PRO 9 HD2 PRO 9 20.246 -3.885 -2.534 72 HD3 PRO 9 HD1 PRO 9 19.423 -2.362 -2.958 73 H ASP 10 HN ASP 10 22.839 -2.807 -0.782 74 HA ASP 10 HA ASP 10 23.942 -3.601 1.866 75 HB2 ASP 10 HB2 ASP 10 24.803 -4.008 -0.998 76 HB3 ASP 10 HB1 ASP 10 25.964 -4.193 0.317 77 H GLY 11 HN GLY 11 23.243 -0.851 0.975 78 HA2 GLY 11 HA2 GLY 11 25.232 0.678 2.121 79 HA3 GLY 11 HA1 GLY 11 25.736 0.547 0.437 80 H CYS 12 HN CYS 12 22.752 0.323 -0.245 81 HA CYS 12 HA CYS 12 22.297 2.981 -1.064 82 HB2 CYS 12 HB2 CYS 12 20.839 1.518 -2.144 83 HB3 CYS 12 HB1 CYS 12 20.562 0.567 -0.693 84 HG CYS 12 HG CYS 12 18.552 1.940 -0.230 85 H TYR 13 HN TYR 13 20.221 1.465 1.385 86 HA TYR 13 HA TYR 13 20.703 3.748 3.231 87 HB2 TYR 13 HB2 TYR 13 18.633 3.992 1.573 88 HB3 TYR 13 HB1 TYR 13 17.854 2.905 2.718 89 HD1 TYR 13 HD1 TYR 13 19.817 6.089 2.544 90 HD2 TYR 13 HD2 TYR 13 16.932 3.764 4.717 91 HE1 TYR 13 HE1 TYR 13 19.429 8.001 4.074 92 HE2 TYR 13 HE2 TYR 13 16.544 5.677 6.247 93 HH TYR 13 HH TYR 13 17.715 8.827 5.581 94 H ALA 14 HN ALA 14 18.824 3.120 5.153 95 HA ALA 14 HA ALA 14 19.977 0.726 6.307 96 HB1 ALA 14 HB1 ALA 14 19.322 2.505 7.804 97 HB2 ALA 14 HB2 ALA 14 18.260 1.133 8.121 98 HB3 ALA 14 HB3 ALA 14 17.677 2.498 7.169 99 H ASP 15 HN ASP 15 17.223 1.408 4.354 100 HA ASP 15 HA ASP 15 16.462 -1.461 4.444 101 HB2 ASP 15 HB2 ASP 15 15.009 0.102 5.954 102 HB3 ASP 15 HB1 ASP 15 14.326 0.668 4.433 103 H GLY 16 HN GLY 16 16.268 1.663 2.849 104 HA2 GLY 16 HA2 GLY 16 16.265 2.169 0.547 105 HA3 GLY 16 HA1 GLY 16 16.584 0.462 0.238 106 H THR 17 HN THR 17 13.901 1.009 2.248 107 HA THR 17 HA THR 17 11.881 1.410 0.224 108 HB THR 17 HB THR 17 12.101 -0.750 -0.576 109 HG1 THR 17 HG1 THR 17 10.622 -2.102 0.805 110 HG21 THR 17 HG21 THR 17 12.583 -2.688 1.066 111 HG22 THR 17 HG22 THR 17 13.048 -1.417 2.196 112 HG23 THR 17 HG23 THR 17 13.905 -1.595 0.664 113 H TRP 18 HN TRP 18 9.671 0.367 1.289 114 HA TRP 18 HA TRP 18 9.747 0.595 4.231 115 HB2 TRP 18 HB2 TRP 18 7.816 2.407 4.018 116 HB3 TRP 18 HB1 TRP 18 9.504 2.890 4.062 117 HD1 TRP 18 HD1 TRP 18 10.408 4.222 2.077 118 HE1 TRP 18 HE1 TRP 18 9.427 5.014 -0.182 119 HE3 TRP 18 HE3 TRP 18 6.057 1.527 1.971 120 HZ2 TRP 18 HZ2 TRP 18 7.131 4.603 -1.774 121 HZ3 TRP 18 HZ3 TRP 18 4.510 1.760 0.034 122 HH2 TRP 18 HH2 TRP 18 5.036 3.288 -1.813 123 H GLU 19 HN GLU 19 7.120 0.770 4.868 124 HA GLU 19 HA GLU 19 5.781 -1.323 3.227 125 HB2 GLU 19 HB2 GLU 19 4.890 -2.302 5.269 126 HB3 GLU 19 HB1 GLU 19 6.644 -2.273 5.358 127 HG2 GLU 19 HG2 GLU 19 4.812 -0.223 6.632 128 HG3 GLU 19 HG1 GLU 19 5.595 -1.547 7.484 129 H LEU 20 HN LEU 20 3.456 -1.395 4.248 130 HA LEU 20 HA LEU 20 2.337 1.332 4.563 131 HB2 LEU 20 HB2 LEU 20 2.270 -0.273 2.150 132 HB3 LEU 20 HB1 LEU 20 0.624 -0.067 2.755 133 HG LEU 20 HG LEU 20 1.227 1.724 1.185 134 HD11 LEU 20 HD11 LEU 20 1.225 3.179 3.797 135 HD12 LEU 20 HD12 LEU 20 -0.115 2.075 3.484 136 HD13 LEU 20 HD13 LEU 20 0.212 3.406 2.376 137 HD21 LEU 20 HD21 LEU 20 3.731 1.565 2.071 138 HD22 LEU 20 HD22 LEU 20 3.208 2.891 3.105 139 HD23 LEU 20 HD23 LEU 20 3.108 3.047 1.354 140 H SER 21 HN SER 21 0.221 1.308 5.460 141 HA SER 21 HA SER 21 -0.630 -1.280 6.663 142 HB2 SER 21 HB2 SER 21 -1.603 0.335 8.479 143 HB3 SER 21 HB1 SER 21 0.107 -0.068 8.507 144 HG SER 21 HG SER 21 -0.029 1.945 6.907 145 H VAL 22 HN VAL 22 -2.597 -1.876 6.250 146 HA VAL 22 HA VAL 22 -4.491 0.085 5.033 147 HB VAL 22 HB VAL 22 -3.838 -2.746 4.327 148 HG11 VAL 22 HG11 VAL 22 -6.103 -3.057 3.296 149 HG12 VAL 22 HG12 VAL 22 -6.663 -1.646 4.183 150 HG13 VAL 22 HG13 VAL 22 -6.145 -3.088 5.057 151 HG21 VAL 22 HG21 VAL 22 -4.899 -0.343 2.808 152 HG22 VAL 22 HG22 VAL 22 -4.420 -1.874 2.077 153 HG23 VAL 22 HG23 VAL 22 -3.215 -0.868 2.885 154 H HIS 23 HN HIS 23 -6.637 -0.247 5.487 155 HA HIS 23 HA HIS 23 -7.362 -1.513 8.077 156 HB2 HIS 23 HB2 HIS 23 -6.918 1.247 7.701 157 HB3 HIS 23 HB1 HIS 23 -8.663 1.107 7.664 158 HD1 HIS 23 HD1 HIS 23 -9.801 0.938 9.893 159 HD2 HIS 23 HD2 HIS 23 -5.748 -0.003 10.162 160 HE1 HIS 23 HE1 HIS 23 -9.302 0.615 12.355 161 H VAL 24 HN VAL 24 -9.206 -2.674 7.789 162 HA VAL 24 HA VAL 24 -10.834 -2.154 5.392 163 HB VAL 24 HB VAL 24 -11.452 -4.404 7.235 164 HG11 VAL 24 HG11 VAL 24 -12.599 -3.798 4.972 165 HG12 VAL 24 HG12 VAL 24 -12.176 -5.481 5.278 166 HG13 VAL 24 HG13 VAL 24 -11.156 -4.497 4.238 167 HG21 VAL 24 HG21 VAL 24 -9.622 -5.677 5.783 168 HG22 VAL 24 HG22 VAL 24 -9.156 -4.822 7.244 169 HG23 VAL 24 HG23 VAL 24 -8.900 -4.070 5.671 170 H THR 25 HN THR 25 -12.467 -0.828 5.509 171 HA THR 25 HA THR 25 -13.658 -0.184 8.120 172 HB THR 25 HB THR 25 -14.865 1.534 6.888 173 HG1 THR 25 HG1 THR 25 -14.130 -0.091 4.766 174 HG21 THR 25 HG21 THR 25 -12.078 1.386 5.734 175 HG22 THR 25 HG22 THR 25 -12.386 1.784 7.424 176 HG23 THR 25 HG23 THR 25 -13.004 2.830 6.145 177 H ASP 26 HN ASP 26 -14.871 -1.464 4.992 178 HA ASP 26 HA ASP 26 -17.521 -1.952 5.997 179 HB2 ASP 26 HB2 ASP 26 -17.930 -3.091 3.939 180 HB3 ASP 26 HB1 ASP 26 -16.812 -1.784 3.551 181 H VAL 27 HN VAL 27 -14.902 -3.237 7.261 182 HA VAL 27 HA VAL 27 -16.282 -5.795 7.923 183 HB VAL 27 HB VAL 27 -13.351 -5.762 7.229 184 HG11 VAL 27 HG11 VAL 27 -15.338 -8.041 7.224 185 HG12 VAL 27 HG12 VAL 27 -14.426 -7.589 8.664 186 HG13 VAL 27 HG13 VAL 27 -13.578 -8.143 7.221 187 HG21 VAL 27 HG21 VAL 27 -14.081 -6.825 5.061 188 HG22 VAL 27 HG22 VAL 27 -14.491 -5.116 5.202 189 HG23 VAL 27 HG23 VAL 27 -15.732 -6.343 5.452 190 H ASN 28 HN ASN 28 -13.999 -3.287 8.705 191 HA ASN 28 HA ASN 28 -13.377 -2.461 10.772 192 HB2 ASN 28 HB2 ASN 28 -15.663 -3.639 11.305 193 HB3 ASN 28 HB1 ASN 28 -14.637 -4.758 12.190 194 HD21 ASN 28 HD21 ASN 28 -16.564 -2.812 13.369 195 HD22 ASN 28 HD22 ASN 28 -15.649 -1.784 14.362 196 H ARG 29 HN ARG 29 -12.045 -4.862 9.312 197 HA ARG 29 HA ARG 29 -10.238 -5.642 11.604 198 HB2 ARG 29 HB2 ARG 29 -9.414 -7.416 9.885 199 HB3 ARG 29 HB1 ARG 29 -10.942 -7.708 10.712 200 HG2 ARG 29 HG2 ARG 29 -12.187 -6.919 8.803 201 HG3 ARG 29 HG1 ARG 29 -10.706 -6.429 7.984 202 HD2 ARG 29 HD2 ARG 29 -11.285 -8.531 7.029 203 HD3 ARG 29 HD1 ARG 29 -9.972 -8.873 8.149 204 HE ARG 29 HE ARG 29 -12.807 -9.639 8.505 205 HH11 ARG 29 HH21 ARG 29 -9.623 -9.311 9.821 206 HH12 ARG 29 HH22 ARG 29 -9.889 -10.469 11.079 207 HH21 ARG 29 HH11 ARG 29 -13.155 -11.147 10.144 208 HH22 ARG 29 HH12 ARG 29 -11.881 -11.505 11.263 209 H ASP 30 HN ASP 30 -7.872 -6.089 10.382 210 HA ASP 30 HA ASP 30 -7.428 -3.896 8.425 211 HB2 ASP 30 HB2 ASP 30 -5.306 -3.408 10.092 212 HB3 ASP 30 HB1 ASP 30 -6.814 -2.496 10.133 213 H VAL 31 HN VAL 31 -5.567 -4.096 7.252 214 HA VAL 31 HA VAL 31 -3.848 -6.480 7.655 215 HB VAL 31 HB VAL 31 -5.006 -5.814 4.934 216 HG11 VAL 31 HG11 VAL 31 -3.847 -8.327 6.172 217 HG12 VAL 31 HG12 VAL 31 -3.014 -7.253 5.048 218 HG13 VAL 31 HG13 VAL 31 -4.415 -8.178 4.510 219 HG21 VAL 31 HG21 VAL 31 -6.652 -7.656 5.331 220 HG22 VAL 31 HG22 VAL 31 -6.937 -6.255 6.362 221 HG23 VAL 31 HG23 VAL 31 -6.157 -7.692 7.023 222 H THR 32 HN THR 32 -1.786 -6.108 6.340 223 HA THR 32 HA THR 32 -1.442 -3.224 5.621 224 HB THR 32 HB THR 32 0.728 -3.251 6.706 225 HG1 THR 32 HG1 THR 32 1.588 -5.036 7.470 226 HG21 THR 32 HG21 THR 32 -1.542 -2.921 8.000 227 HG22 THR 32 HG22 THR 32 -0.028 -3.036 8.894 228 HG23 THR 32 HG23 THR 32 -1.086 -4.442 8.768 229 H LEU 33 HN LEU 33 0.000 -2.773 3.996 230 HA LEU 33 HA LEU 33 0.619 -5.085 2.230 231 HB2 LEU 33 HB2 LEU 33 0.217 -2.140 1.786 232 HB3 LEU 33 HB1 LEU 33 1.169 -3.054 0.627 233 HG LEU 33 HG LEU 33 -1.195 -2.880 -0.033 234 HD11 LEU 33 HD11 LEU 33 0.368 -5.025 -0.335 235 HD12 LEU 33 HD12 LEU 33 -1.305 -5.005 -0.879 236 HD13 LEU 33 HD13 LEU 33 -0.894 -5.774 0.645 237 HD21 LEU 33 HD21 LEU 33 -2.080 -4.778 2.079 238 HD22 LEU 33 HD22 LEU 33 -2.961 -3.482 1.278 239 HD23 LEU 33 HD23 LEU 33 -1.845 -3.103 2.580 240 H ARG 34 HN ARG 34 2.629 -5.478 1.588 241 HA ARG 34 HA ARG 34 4.877 -3.965 2.903 242 HB2 ARG 34 HB2 ARG 34 4.599 -6.541 3.195 243 HB3 ARG 34 HB1 ARG 34 5.088 -6.637 1.507 244 HG2 ARG 34 HG2 ARG 34 7.078 -6.891 2.845 245 HG3 ARG 34 HG1 ARG 34 7.135 -5.304 2.082 246 HD2 ARG 34 HD2 ARG 34 6.898 -4.189 4.084 247 HD3 ARG 34 HD1 ARG 34 5.851 -5.422 4.781 248 HE ARG 34 HE ARG 34 8.752 -5.331 4.991 249 HH11 ARG 34 HH21 ARG 34 5.928 -7.306 4.873 250 HH12 ARG 34 HH22 ARG 34 6.633 -8.600 5.782 251 HH21 ARG 34 HH11 ARG 34 9.688 -7.012 6.181 252 HH22 ARG 34 HH12 ARG 34 8.760 -8.434 6.522 253 H VAL 35 HN VAL 35 5.034 -2.277 1.318 254 HA VAL 35 HA VAL 35 6.046 -3.161 -1.329 255 HB VAL 35 HB VAL 35 4.430 -1.680 -2.488 256 HG11 VAL 35 HG11 VAL 35 2.961 -3.695 -0.786 257 HG12 VAL 35 HG12 VAL 35 4.053 -4.160 -2.090 258 HG13 VAL 35 HG13 VAL 35 2.615 -3.216 -2.442 259 HG21 VAL 35 HG21 VAL 35 3.573 -1.167 0.340 260 HG22 VAL 35 HG22 VAL 35 2.297 -1.266 -0.868 261 HG23 VAL 35 HG23 VAL 35 3.585 -0.079 -1.045 262 H THR 36 HN THR 36 6.160 -0.981 -2.738 263 HA THR 36 HA THR 36 7.433 1.182 -1.124 264 HB THR 36 HB THR 36 9.242 1.247 -2.919 265 HG1 THR 36 HG1 THR 36 9.104 -0.163 -4.442 266 HG21 THR 36 HG21 THR 36 10.099 0.431 -0.928 267 HG22 THR 36 HG22 THR 36 10.299 -0.990 -1.953 268 HG23 THR 36 HG23 THR 36 8.939 -0.896 -0.840 269 H GLY 37 HN GLY 37 8.038 2.991 -2.822 270 HA2 GLY 37 HA2 GLY 37 5.645 4.001 -3.941 271 HA3 GLY 37 HA1 GLY 37 7.252 4.590 -4.330 272 H GLU 38 HN GLU 38 6.955 1.285 -4.957 273 HA GLU 38 HA GLU 38 6.794 1.840 -7.877 274 HB2 GLU 38 HB2 GLU 38 8.028 -0.189 -8.157 275 HB3 GLU 38 HB1 GLU 38 8.762 0.657 -6.798 276 HG2 GLU 38 HG2 GLU 38 8.556 -1.475 -5.884 277 HG3 GLU 38 HG1 GLU 38 7.037 -0.742 -5.361 278 H VAL 39 HN VAL 39 4.970 0.345 -5.323 279 HA VAL 39 HA VAL 39 3.627 -1.561 -7.073 280 HB VAL 39 HB VAL 39 3.741 -2.056 -4.701 281 HG11 VAL 39 HG11 VAL 39 2.156 0.503 -4.375 282 HG12 VAL 39 HG12 VAL 39 3.755 0.153 -3.750 283 HG13 VAL 39 HG13 VAL 39 2.362 -0.695 -3.108 284 HG21 VAL 39 HG21 VAL 39 1.751 -2.776 -6.074 285 HG22 VAL 39 HG22 VAL 39 0.874 -1.392 -5.423 286 HG23 VAL 39 HG23 VAL 39 1.436 -2.665 -4.346 287 H HIS 40 HN HIS 40 1.844 -1.281 -8.264 288 HA HIS 40 HA HIS 40 0.839 1.399 -8.722 289 HB2 HIS 40 HB2 HIS 40 0.071 -1.355 -9.686 290 HB3 HIS 40 HB1 HIS 40 -0.922 0.045 -10.071 291 HD1 HIS 40 HD1 HIS 40 1.521 2.058 -10.372 292 HD2 HIS 40 HD2 HIS 40 1.174 -1.631 -12.282 293 HE1 HIS 40 HE1 HIS 40 3.005 2.170 -12.421 294 H ILE 41 HN ILE 41 -1.233 2.219 -8.091 295 HA ILE 41 HA ILE 41 -2.230 1.390 -5.562 296 HB ILE 41 HB ILE 41 -3.855 2.685 -7.762 297 HG12 ILE 41 HG12 ILE 41 -2.009 3.960 -5.719 298 HG13 ILE 41 HG11 ILE 41 -1.675 3.839 -7.442 299 HG21 ILE 41 HG21 ILE 41 -4.019 3.121 -4.776 300 HG22 ILE 41 HG22 ILE 41 -4.915 1.821 -5.561 301 HG23 ILE 41 HG23 ILE 41 -5.225 3.495 -6.009 302 HD11 ILE 41 HD11 ILE 41 -2.982 5.595 -7.922 303 HD12 ILE 41 HD12 ILE 41 -2.960 5.953 -6.202 304 HD13 ILE 41 HD13 ILE 41 -4.300 5.048 -6.897 305 H GLY 42 HN GLY 42 -3.380 0.798 -8.856 306 HA2 GLY 42 HA2 GLY 42 -5.378 -1.134 -8.154 307 HA3 GLY 42 HA1 GLY 42 -4.603 -0.987 -9.742 308 H GLY 43 HN GLY 43 -2.091 -1.148 -7.677 309 HA2 GLY 43 HA2 GLY 43 -1.802 -4.105 -8.012 310 HA3 GLY 43 HA1 GLY 43 -0.462 -2.964 -7.863 311 H VAL 44 HN VAL 44 -1.717 -1.423 -5.741 312 HA VAL 44 HA VAL 44 -0.738 -2.824 -3.464 313 HB VAL 44 HB VAL 44 -2.276 -0.360 -4.054 314 HG11 VAL 44 HG11 VAL 44 -3.893 -1.123 -2.498 315 HG12 VAL 44 HG12 VAL 44 -2.849 -0.044 -1.571 316 HG13 VAL 44 HG13 VAL 44 -2.668 -1.790 -1.426 317 HG21 VAL 44 HG21 VAL 44 -0.080 -1.088 -2.096 318 HG22 VAL 44 HG22 VAL 44 -0.769 0.528 -2.219 319 HG23 VAL 44 HG23 VAL 44 0.072 -0.176 -3.597 320 H MET 45 HN MET 45 -3.933 -2.577 -4.951 321 HA MET 45 HA MET 45 -5.339 -4.080 -2.961 322 HB2 MET 45 HB2 MET 45 -6.413 -4.537 -5.644 323 HB3 MET 45 HB1 MET 45 -7.120 -3.647 -4.304 324 HG2 MET 45 HG2 MET 45 -5.763 -1.667 -4.917 325 HG3 MET 45 HG1 MET 45 -5.107 -2.560 -6.286 326 HE1 MET 45 HE1 MET 45 -8.378 0.190 -6.625 327 HE2 MET 45 HE2 MET 45 -6.752 0.193 -5.947 328 HE3 MET 45 HE3 MET 45 -8.098 -0.410 -4.986 329 H LEU 46 HN LEU 46 -3.667 -5.049 -5.952 330 HA LEU 46 HA LEU 46 -4.271 -7.833 -5.696 331 HB2 LEU 46 HB2 LEU 46 -1.747 -6.672 -6.900 332 HB3 LEU 46 HB1 LEU 46 -2.493 -8.222 -7.284 333 HG LEU 46 HG LEU 46 -3.803 -5.535 -7.747 334 HD11 LEU 46 HD11 LEU 46 -3.179 -5.684 -10.028 335 HD12 LEU 46 HD12 LEU 46 -2.716 -7.379 -9.881 336 HD13 LEU 46 HD13 LEU 46 -1.710 -6.125 -9.160 337 HD21 LEU 46 HD21 LEU 46 -4.566 -8.399 -8.329 338 HD22 LEU 46 HD22 LEU 46 -5.223 -7.077 -9.291 339 HD23 LEU 46 HD23 LEU 46 -5.525 -7.137 -7.555 340 H LYS 47 HN LYS 47 -1.239 -6.109 -4.904 341 HA LYS 47 HA LYS 47 0.019 -8.221 -3.602 342 HB2 LYS 47 HB2 LYS 47 0.944 -5.897 -4.049 343 HB3 LYS 47 HB1 LYS 47 0.085 -5.358 -2.625 344 HG2 LYS 47 HG2 LYS 47 2.167 -5.882 -1.709 345 HG3 LYS 47 HG1 LYS 47 1.274 -7.380 -1.455 346 HD2 LYS 47 HD2 LYS 47 3.211 -8.233 -2.440 347 HD3 LYS 47 HD1 LYS 47 2.233 -7.973 -3.883 348 HE2 LYS 47 HE2 LYS 47 4.206 -6.922 -4.513 349 HE3 LYS 47 HE1 LYS 47 3.333 -5.561 -3.808 350 HZ1 LYS 47 HZ1 LYS 47 5.261 -7.283 -2.345 351 HZ2 LYS 47 HZ2 LYS 47 4.484 -5.899 -1.740 352 HZ3 LYS 47 HZ3 LYS 47 5.626 -5.758 -2.990 353 H LEU 48 HN LEU 48 -2.666 -6.276 -2.582 354 HA LEU 48 HA LEU 48 -2.632 -7.331 0.162 355 HB2 LEU 48 HB2 LEU 48 -3.454 -5.115 -0.074 356 HB3 LEU 48 HB1 LEU 48 -4.516 -5.559 -1.380 357 HG LEU 48 HG LEU 48 -5.947 -6.798 0.087 358 HD11 LEU 48 HD11 LEU 48 -3.697 -6.414 2.065 359 HD12 LEU 48 HD12 LEU 48 -4.468 -7.911 1.574 360 HD13 LEU 48 HD13 LEU 48 -5.329 -6.783 2.610 361 HD21 LEU 48 HD21 LEU 48 -6.074 -4.270 0.090 362 HD22 LEU 48 HD22 LEU 48 -5.130 -4.293 1.579 363 HD23 LEU 48 HD23 LEU 48 -6.726 -5.041 1.537 364 H VAL 49 HN VAL 49 -4.889 -7.523 -2.627 365 HA VAL 49 HA VAL 49 -6.514 -9.582 -1.525 366 HB VAL 49 HB VAL 49 -5.801 -9.034 -4.425 367 HG11 VAL 49 HG11 VAL 49 -7.958 -10.738 -3.157 368 HG12 VAL 49 HG12 VAL 49 -6.695 -11.263 -4.271 369 HG13 VAL 49 HG13 VAL 49 -7.998 -10.220 -4.842 370 HG21 VAL 49 HG21 VAL 49 -6.946 -7.220 -2.940 371 HG22 VAL 49 HG22 VAL 49 -8.354 -8.281 -2.994 372 HG23 VAL 49 HG23 VAL 49 -7.696 -7.616 -4.489 373 H GLU 50 HN GLU 50 -3.529 -9.678 -3.402 374 HA GLU 50 HA GLU 50 -3.343 -12.514 -3.635 375 HB2 GLU 50 HB2 GLU 50 -1.213 -10.363 -3.521 376 HB3 GLU 50 HB1 GLU 50 -0.881 -12.054 -3.904 377 HG2 GLU 50 HG2 GLU 50 -2.312 -11.971 -5.836 378 HG3 GLU 50 HG1 GLU 50 -2.903 -10.378 -5.403 379 H LYS 51 HN LYS 51 -2.147 -10.220 -1.150 380 HA LYS 51 HA LYS 51 -0.836 -12.129 0.488 381 HB2 LYS 51 HB2 LYS 51 -2.030 -9.428 0.856 382 HB3 LYS 51 HB1 LYS 51 -1.812 -10.362 2.323 383 HG2 LYS 51 HG2 LYS 51 0.578 -10.705 1.738 384 HG3 LYS 51 HG1 LYS 51 0.344 -9.747 0.280 385 HD2 LYS 51 HD2 LYS 51 1.327 -8.376 2.075 386 HD3 LYS 51 HD1 LYS 51 -0.279 -7.794 1.641 387 HE2 LYS 51 HE2 LYS 51 0.384 -8.116 4.190 388 HE3 LYS 51 HE1 LYS 51 -1.236 -8.529 3.632 389 HZ1 LYS 51 HZ1 LYS 51 -0.353 -10.834 3.275 390 HZ2 LYS 51 HZ2 LYS 51 -0.467 -10.343 4.896 391 HZ3 LYS 51 HZ3 LYS 51 1.041 -10.362 4.116 392 H LEU 52 HN LEU 52 -4.199 -10.870 0.813 393 HA LEU 52 HA LEU 52 -4.934 -12.891 2.741 394 HB2 LEU 52 HB2 LEU 52 -6.725 -11.297 0.880 395 HB3 LEU 52 HB1 LEU 52 -7.240 -12.148 2.334 396 HG LEU 52 HG LEU 52 -5.123 -9.989 2.393 397 HD11 LEU 52 HD11 LEU 52 -7.175 -9.006 1.477 398 HD12 LEU 52 HD12 LEU 52 -6.926 -8.449 3.132 399 HD13 LEU 52 HD13 LEU 52 -8.116 -9.706 2.794 400 HD21 LEU 52 HD21 LEU 52 -6.023 -9.852 4.797 401 HD22 LEU 52 HD22 LEU 52 -5.087 -11.286 4.394 402 HD23 LEU 52 HD23 LEU 52 -6.847 -11.372 4.464 403 H ASP 53 HN ASP 53 -7.495 -13.442 1.088 404 HA ASP 53 HA ASP 53 -6.470 -15.936 -0.110 405 HB2 ASP 53 HB2 ASP 53 -8.514 -16.002 1.261 406 HB3 ASP 53 HB1 ASP 53 -9.296 -14.865 0.162 407 H VAL 54 HN VAL 54 -6.743 -16.481 -2.330 408 HA VAL 54 HA VAL 54 -6.734 -14.157 -4.144 409 HB VAL 54 HB VAL 54 -6.296 -15.968 -5.884 410 HG11 VAL 54 HG11 VAL 54 -3.989 -16.363 -5.082 411 HG12 VAL 54 HG12 VAL 54 -4.463 -15.828 -3.469 412 HG13 VAL 54 HG13 VAL 54 -4.479 -14.690 -4.816 413 HG21 VAL 54 HG21 VAL 54 -5.821 -18.201 -5.118 414 HG22 VAL 54 HG22 VAL 54 -7.399 -17.766 -4.464 415 HG23 VAL 54 HG23 VAL 54 -5.972 -17.717 -3.429 416 H LYS 55 HN LYS 55 -9.182 -14.055 -3.219 417 HA LYS 55 HA LYS 55 -10.863 -15.066 -5.452 418 HB2 LYS 55 HB2 LYS 55 -10.952 -16.692 -3.477 419 HB3 LYS 55 HB1 LYS 55 -11.734 -15.395 -2.571 420 HG2 LYS 55 HG2 LYS 55 -13.548 -15.290 -4.184 421 HG3 LYS 55 HG1 LYS 55 -12.738 -16.460 -5.227 422 HD2 LYS 55 HD2 LYS 55 -13.018 -18.218 -3.623 423 HD3 LYS 55 HD1 LYS 55 -13.529 -17.083 -2.373 424 HE2 LYS 55 HE2 LYS 55 -15.400 -18.395 -3.515 425 HE3 LYS 55 HE1 LYS 55 -15.598 -16.643 -3.482 426 HZ1 LYS 55 HZ1 LYS 55 -14.119 -17.543 -5.760 427 HZ2 LYS 55 HZ2 LYS 55 -15.481 -16.531 -5.684 428 HZ3 LYS 55 HZ3 LYS 55 -15.673 -18.219 -5.700 429 H LYS 56 HN LYS 56 -9.984 -12.666 -3.240 430 HA LYS 56 HA LYS 56 -12.538 -11.239 -3.225 431 HB2 LYS 56 HB2 LYS 56 -9.989 -11.049 -1.872 432 HB3 LYS 56 HB1 LYS 56 -10.346 -9.479 -2.567 433 HG2 LYS 56 HG2 LYS 56 -11.342 -9.385 -0.432 434 HG3 LYS 56 HG1 LYS 56 -12.695 -9.746 -1.499 435 HD2 LYS 56 HD2 LYS 56 -13.021 -11.350 0.163 436 HD3 LYS 56 HD1 LYS 56 -12.040 -12.266 -0.979 437 HE2 LYS 56 HE2 LYS 56 -10.911 -12.672 1.028 438 HE3 LYS 56 HE1 LYS 56 -10.021 -11.276 0.420 439 HZ1 LYS 56 HZ1 LYS 56 -11.369 -9.837 1.777 440 HZ2 LYS 56 HZ2 LYS 56 -10.665 -11.036 2.753 441 HZ3 LYS 56 HZ3 LYS 56 -12.303 -11.146 2.316 442 H ASP 57 HN ASP 57 -13.120 -9.536 -4.531 443 HA ASP 57 HA ASP 57 -12.241 -9.417 -7.179 444 HB2 ASP 57 HB2 ASP 57 -13.181 -6.919 -5.797 445 HB3 ASP 57 HB1 ASP 57 -13.582 -7.515 -7.405 446 H TRP 58 HN TRP 58 -10.858 -7.916 -8.295 447 HA TRP 58 HA TRP 58 -8.504 -7.122 -6.704 448 HB2 TRP 58 HB2 TRP 58 -9.025 -7.154 -9.686 449 HB3 TRP 58 HB1 TRP 58 -7.489 -6.750 -8.933 450 HD1 TRP 58 HD1 TRP 58 -6.955 -8.861 -6.880 451 HE1 TRP 58 HE1 TRP 58 -6.774 -11.368 -7.444 452 HE3 TRP 58 HE3 TRP 58 -9.490 -8.955 -11.312 453 HZ2 TRP 58 HZ2 TRP 58 -7.595 -13.177 -9.501 454 HZ3 TRP 58 HZ3 TRP 58 -9.775 -11.082 -12.551 455 HH2 TRP 58 HH2 TRP 58 -8.831 -13.191 -11.653 456 H SER 59 HN SER 59 -10.069 -5.521 -9.476 457 HA SER 59 HA SER 59 -9.337 -2.903 -8.401 458 HB2 SER 59 HB2 SER 59 -10.239 -2.027 -10.472 459 HB3 SER 59 HB1 SER 59 -9.283 -3.460 -10.839 460 HG SER 59 HG SER 59 -11.281 -3.547 -11.898 461 H ASP 60 HN ASP 60 -12.383 -4.708 -8.851 462 HA ASP 60 HA ASP 60 -14.246 -2.717 -8.329 463 HB2 ASP 60 HB2 ASP 60 -14.626 -5.250 -8.703 464 HB3 ASP 60 HB1 ASP 60 -14.467 -5.393 -6.955 465 H HIS 61 HN HIS 61 -12.057 -4.235 -6.003 466 HA HIS 61 HA HIS 61 -13.327 -3.062 -3.677 467 HB2 HIS 61 HB2 HIS 61 -10.557 -4.218 -4.106 468 HB3 HIS 61 HB1 HIS 61 -11.209 -3.743 -2.542 469 HD1 HIS 61 HD1 HIS 61 -14.172 -4.836 -3.610 470 HD2 HIS 61 HD2 HIS 61 -10.629 -6.966 -3.076 471 HE1 HIS 61 HE1 HIS 61 -14.834 -7.260 -3.295 472 H ALA 62 HN ALA 62 -11.753 -1.594 -2.242 473 HA ALA 62 HA ALA 62 -10.101 0.252 -3.831 474 HB1 ALA 62 HB1 ALA 62 -11.464 2.235 -3.410 475 HB2 ALA 62 HB2 ALA 62 -12.663 1.257 -2.565 476 HB3 ALA 62 HB3 ALA 62 -12.415 1.045 -4.299 477 H LEU 63 HN LEU 63 -9.022 1.862 -2.450 478 HA LEU 63 HA LEU 63 -8.934 1.007 0.397 479 HB2 LEU 63 HB2 LEU 63 -6.887 2.568 -1.168 480 HB3 LEU 63 HB1 LEU 63 -6.686 1.905 0.445 481 HG LEU 63 HG LEU 63 -5.553 0.450 -1.074 482 HD11 LEU 63 HD11 LEU 63 -7.064 -0.522 0.756 483 HD12 LEU 63 HD12 LEU 63 -6.525 -1.623 -0.510 484 HD13 LEU 63 HD13 LEU 63 -8.159 -0.966 -0.554 485 HD21 LEU 63 HD21 LEU 63 -7.233 1.256 -3.038 486 HD22 LEU 63 HD22 LEU 63 -7.971 -0.301 -2.657 487 HD23 LEU 63 HD23 LEU 63 -6.279 -0.228 -3.148 488 H TRP 64 HN TRP 64 -9.916 2.418 1.833 489 HA TRP 64 HA TRP 64 -10.379 5.187 0.894 490 HB2 TRP 64 HB2 TRP 64 -11.821 3.554 2.607 491 HB3 TRP 64 HB1 TRP 64 -10.958 4.557 3.749 492 HD1 TRP 64 HD1 TRP 64 -10.928 7.308 2.393 493 HE1 TRP 64 HE1 TRP 64 -13.105 8.631 1.996 494 HE3 TRP 64 HE3 TRP 64 -14.323 3.497 2.574 495 HZ2 TRP 64 HZ2 TRP 64 -15.913 8.139 1.784 496 HZ3 TRP 64 HZ3 TRP 64 -16.741 3.953 2.273 497 HH2 TRP 64 HH2 TRP 64 -17.539 6.267 1.879 498 H TRP 65 HN TRP 65 -9.021 6.876 1.424 499 HA TRP 65 HA TRP 65 -6.678 6.231 3.162 500 HB2 TRP 65 HB2 TRP 65 -6.412 7.113 0.790 501 HB3 TRP 65 HB1 TRP 65 -7.059 8.640 1.375 502 HD1 TRP 65 HD1 TRP 65 -5.153 7.474 4.213 503 HE1 TRP 65 HE1 TRP 65 -2.766 8.412 4.222 504 HE3 TRP 65 HE3 TRP 65 -4.841 9.165 -0.602 505 HZ2 TRP 65 HZ2 TRP 65 -0.954 9.713 2.441 506 HZ3 TRP 65 HZ3 TRP 65 -2.770 10.254 -1.412 507 HH2 TRP 65 HH2 TRP 65 -0.829 10.535 0.104 508 H GLU 66 HN GLU 66 -6.853 6.939 5.256 509 HA GLU 66 HA GLU 66 -8.805 8.673 6.259 510 HB2 GLU 66 HB2 GLU 66 -6.027 8.176 7.350 511 HB3 GLU 66 HB1 GLU 66 -7.444 8.671 8.247 512 HG2 GLU 66 HG2 GLU 66 -8.576 6.565 7.657 513 HG3 GLU 66 HG1 GLU 66 -7.132 6.049 6.788 514 H LYS 67 HN LYS 67 -5.655 9.391 4.806 515 HA LYS 67 HA LYS 67 -5.208 11.969 5.833 516 HB2 LYS 67 HB2 LYS 67 -3.633 10.761 4.390 517 HB3 LYS 67 HB1 LYS 67 -4.720 11.015 3.018 518 HG2 LYS 67 HG2 LYS 67 -4.454 13.381 3.121 519 HG3 LYS 67 HG1 LYS 67 -3.658 13.296 4.694 520 HD2 LYS 67 HD2 LYS 67 -1.731 12.213 3.744 521 HD3 LYS 67 HD1 LYS 67 -2.552 12.031 2.199 522 HE2 LYS 67 HE2 LYS 67 -2.446 14.345 1.728 523 HE3 LYS 67 HE1 LYS 67 -2.107 14.752 3.411 524 HZ1 LYS 67 HZ1 LYS 67 0.005 13.438 3.116 525 HZ2 LYS 67 HZ2 LYS 67 -0.071 14.918 2.285 526 HZ3 LYS 67 HZ3 LYS 67 -0.307 13.457 1.449 527 H LYS 68 HN LYS 68 -6.945 11.177 2.801 528 HA LYS 68 HA LYS 68 -8.300 13.858 2.978 529 HB2 LYS 68 HB2 LYS 68 -7.855 12.162 0.502 530 HB3 LYS 68 HB1 LYS 68 -8.484 13.808 0.564 531 HG2 LYS 68 HG2 LYS 68 -6.272 14.470 1.655 532 HG3 LYS 68 HG1 LYS 68 -5.680 12.871 1.198 533 HD2 LYS 68 HD2 LYS 68 -6.091 13.323 -1.149 534 HD3 LYS 68 HD1 LYS 68 -6.868 14.858 -0.759 535 HE2 LYS 68 HE2 LYS 68 -4.003 14.239 -0.015 536 HE3 LYS 68 HE1 LYS 68 -4.449 15.030 -1.526 537 HZ1 LYS 68 HZ1 LYS 68 -5.758 16.234 0.688 538 HZ2 LYS 68 HZ2 LYS 68 -4.744 16.942 -0.477 539 HZ3 LYS 68 HZ3 LYS 68 -4.077 16.235 0.917 540 H ARG 69 HN ARG 69 -8.787 10.781 3.726 541 HA ARG 69 HA ARG 69 -10.659 9.360 3.815 542 HB2 ARG 69 HB2 ARG 69 -12.005 12.083 3.762 543 HB3 ARG 69 HB1 ARG 69 -12.842 10.577 4.122 544 HG2 ARG 69 HG2 ARG 69 -12.323 11.204 6.290 545 HG3 ARG 69 HG1 ARG 69 -10.840 10.332 5.914 546 HD2 ARG 69 HD2 ARG 69 -10.063 12.374 6.794 547 HD3 ARG 69 HD1 ARG 69 -9.975 12.634 5.053 548 HE ARG 69 HE ARG 69 -12.511 13.473 6.255 549 HH11 ARG 69 HH21 ARG 69 -9.270 14.273 5.393 550 HH12 ARG 69 HH22 ARG 69 -9.571 15.977 5.315 551 HH21 ARG 69 HH11 ARG 69 -12.922 15.693 6.158 552 HH22 ARG 69 HH12 ARG 69 -11.639 16.781 5.748 553 H THR 70 HN THR 70 -9.582 9.810 1.202 554 HA THR 70 HA THR 70 -12.037 9.765 -0.518 555 HB THR 70 HB THR 70 -10.295 11.560 -0.982 556 HG1 THR 70 HG1 THR 70 -11.734 10.466 -2.565 557 HG21 THR 70 HG21 THR 70 -8.165 10.957 -1.860 558 HG22 THR 70 HG22 THR 70 -8.625 9.261 -2.017 559 HG23 THR 70 HG23 THR 70 -8.371 9.963 -0.418 560 H TRP 71 HN TRP 71 -10.746 8.530 -2.712 561 HA TRP 71 HA TRP 71 -9.944 5.867 -1.622 562 HB2 TRP 71 HB2 TRP 71 -11.607 6.212 -4.103 563 HB3 TRP 71 HB1 TRP 71 -11.360 4.772 -3.137 564 HD1 TRP 71 HD1 TRP 71 -12.745 4.489 -0.917 565 HE1 TRP 71 HE1 TRP 71 -14.835 5.691 -0.004 566 HE3 TRP 71 HE3 TRP 71 -12.858 8.544 -4.021 567 HZ2 TRP 71 HZ2 TRP 71 -16.354 8.058 -0.521 568 HZ3 TRP 71 HZ3 TRP 71 -14.636 10.254 -3.789 569 HH2 TRP 71 HH2 TRP 71 -16.383 10.016 -2.044 570 H LEU 72 HN LEU 72 -8.607 4.641 -3.040 571 HA LEU 72 HA LEU 72 -7.060 6.293 -5.006 572 HB2 LEU 72 HB2 LEU 72 -6.062 3.697 -3.847 573 HB3 LEU 72 HB1 LEU 72 -5.147 5.110 -4.381 574 HG LEU 72 HG LEU 72 -6.902 5.027 -1.919 575 HD11 LEU 72 HD11 LEU 72 -4.845 4.938 -0.670 576 HD12 LEU 72 HD12 LEU 72 -3.897 4.983 -2.155 577 HD13 LEU 72 HD13 LEU 72 -4.902 3.579 -1.790 578 HD21 LEU 72 HD21 LEU 72 -6.695 7.266 -2.905 579 HD22 LEU 72 HD22 LEU 72 -4.945 7.075 -3.007 580 HD23 LEU 72 HD23 LEU 72 -5.732 7.174 -1.433 581 H LEU 73 HN LEU 73 -8.086 5.854 -6.942 582 HA LEU 73 HA LEU 73 -8.925 3.077 -7.529 583 HB2 LEU 73 HB2 LEU 73 -9.410 5.433 -9.325 584 HB3 LEU 73 HB1 LEU 73 -10.403 4.003 -9.068 585 HG LEU 73 HG LEU 73 -9.972 6.262 -7.090 586 HD11 LEU 73 HD11 LEU 73 -12.485 6.472 -7.439 587 HD12 LEU 73 HD12 LEU 73 -12.283 5.407 -8.830 588 HD13 LEU 73 HD13 LEU 73 -11.466 6.970 -8.789 589 HD21 LEU 73 HD21 LEU 73 -11.222 3.534 -6.837 590 HD22 LEU 73 HD22 LEU 73 -11.967 4.877 -5.974 591 HD23 LEU 73 HD23 LEU 73 -10.291 4.450 -5.653 592 H LYS 74 HN LYS 74 -7.546 5.601 -9.650 593 HA LYS 74 HA LYS 74 -6.576 3.722 -11.486 594 HB2 LYS 74 HB2 LYS 74 -5.710 5.503 -12.709 595 HB3 LYS 74 HB1 LYS 74 -7.080 6.168 -11.839 596 HG2 LYS 74 HG2 LYS 74 -4.313 6.385 -10.652 597 HG3 LYS 74 HG1 LYS 74 -4.829 7.492 -11.898 598 HD2 LYS 74 HD2 LYS 74 -5.401 8.600 -9.925 599 HD3 LYS 74 HD1 LYS 74 -6.915 7.913 -10.440 600 HE2 LYS 74 HE2 LYS 74 -7.079 6.764 -8.486 601 HE3 LYS 74 HE1 LYS 74 -5.502 6.039 -8.732 602 HZ1 LYS 74 HZ1 LYS 74 -6.182 8.546 -7.361 603 HZ2 LYS 74 HZ2 LYS 74 -4.626 8.319 -8.006 604 HZ3 LYS 74 HZ3 LYS 74 -5.219 7.258 -6.819 605 H THR 75 HN THR 75 -4.547 3.039 -12.084 606 HA THR 75 HA THR 75 -2.678 2.614 -9.857 607 HB THR 75 HB THR 75 -2.826 0.699 -11.211 608 HG1 THR 75 HG1 THR 75 -0.816 0.525 -11.917 609 HG21 THR 75 HG21 THR 75 -2.996 2.673 -13.488 610 HG22 THR 75 HG22 THR 75 -4.166 1.444 -13.002 611 HG23 THR 75 HG23 THR 75 -2.656 0.966 -13.776 612 H HIS 76 HN HIS 76 -2.882 4.374 -12.891 613 HA HIS 76 HA HIS 76 -0.367 5.318 -13.408 614 HB2 HIS 76 HB2 HIS 76 -2.553 5.956 -14.542 615 HB3 HIS 76 HB1 HIS 76 -2.746 7.171 -13.277 616 HD1 HIS 76 HD1 HIS 76 -1.095 9.182 -13.282 617 HD2 HIS 76 HD2 HIS 76 -0.491 6.514 -16.428 618 HE1 HIS 76 HE1 HIS 76 0.468 10.334 -14.908 619 H TRP 77 HN TRP 77 -2.141 5.966 -10.522 620 HA TRP 77 HA TRP 77 -0.203 8.112 -9.738 621 HB2 TRP 77 HB2 TRP 77 -3.059 7.561 -9.071 622 HB3 TRP 77 HB1 TRP 77 -2.065 8.310 -7.833 623 HD1 TRP 77 HD1 TRP 77 -1.380 9.106 -11.484 624 HE1 TRP 77 HE1 TRP 77 -2.028 11.553 -11.949 625 HE3 TRP 77 HE3 TRP 77 -3.701 10.255 -7.083 626 HZ2 TRP 77 HZ2 TRP 77 -3.356 13.715 -10.633 627 HZ3 TRP 77 HZ3 TRP 77 -4.650 12.516 -6.717 628 HH2 TRP 77 HH2 TRP 77 -4.480 14.246 -8.485 629 H THR 78 HN THR 78 1.153 6.058 -9.472 630 HA THR 78 HA THR 78 0.863 4.087 -7.559 631 HB THR 78 HB THR 78 3.531 5.465 -7.639 632 HG1 THR 78 HG1 THR 78 2.039 5.017 -9.830 633 HG21 THR 78 HG21 THR 78 2.721 2.620 -8.233 634 HG22 THR 78 HG22 THR 78 3.177 3.209 -6.638 635 HG23 THR 78 HG23 THR 78 4.350 3.217 -7.949 636 H LEU 79 HN LEU 79 2.197 4.091 -5.450 637 HA LEU 79 HA LEU 79 1.013 5.866 -3.583 638 HB2 LEU 79 HB2 LEU 79 3.385 4.021 -3.573 639 HB3 LEU 79 HB1 LEU 79 3.013 4.992 -2.157 640 HG LEU 79 HG LEU 79 0.861 3.997 -1.949 641 HD11 LEU 79 HD11 LEU 79 1.466 2.726 -4.619 642 HD12 LEU 79 HD12 LEU 79 0.128 3.803 -4.220 643 HD13 LEU 79 HD13 LEU 79 0.168 2.168 -3.571 644 HD21 LEU 79 HD21 LEU 79 1.519 1.530 -1.812 645 HD22 LEU 79 HD22 LEU 79 2.586 2.649 -0.963 646 HD23 LEU 79 HD23 LEU 79 3.062 1.999 -2.534 647 H ASP 80 HN ASP 80 4.345 5.659 -4.742 648 HA ASP 80 HA ASP 80 5.216 8.071 -3.554 649 HB2 ASP 80 HB2 ASP 80 7.005 6.893 -4.361 650 HB3 ASP 80 HB1 ASP 80 6.140 6.297 -5.758 651 H LYS 81 HN LYS 81 3.572 7.451 -6.646 652 HA LYS 81 HA LYS 81 3.828 10.025 -7.786 653 HB2 LYS 81 HB2 LYS 81 1.954 7.797 -8.050 654 HB3 LYS 81 HB1 LYS 81 1.139 9.327 -8.283 655 HG2 LYS 81 HG2 LYS 81 1.843 8.876 -10.447 656 HG3 LYS 81 HG1 LYS 81 3.170 9.854 -9.890 657 HD2 LYS 81 HD2 LYS 81 4.615 8.150 -10.336 658 HD3 LYS 81 HD1 LYS 81 3.785 7.141 -9.170 659 HE2 LYS 81 HE2 LYS 81 3.759 6.029 -11.328 660 HE3 LYS 81 HE1 LYS 81 2.121 6.538 -10.902 661 HZ1 LYS 81 HZ1 LYS 81 3.867 8.285 -12.508 662 HZ2 LYS 81 HZ2 LYS 81 2.170 8.261 -12.416 663 HZ3 LYS 81 HZ3 LYS 81 2.997 7.031 -13.248 664 H TYR 82 HN TYR 82 1.532 8.860 -5.377 665 HA TYR 82 HA TYR 82 0.298 11.488 -5.071 666 HB2 TYR 82 HB2 TYR 82 -0.384 8.887 -4.322 667 HB3 TYR 82 HB1 TYR 82 0.041 9.617 -2.781 668 HD1 TYR 82 HD1 TYR 82 -0.842 12.309 -2.826 669 HD2 TYR 82 HD2 TYR 82 -2.695 8.905 -4.682 670 HE1 TYR 82 HE1 TYR 82 -3.033 13.467 -2.765 671 HE2 TYR 82 HE2 TYR 82 -4.884 10.064 -4.620 672 HH TYR 82 HH TYR 82 -5.968 11.918 -4.077 673 H GLY 83 HN GLY 83 3.110 9.873 -3.936 674 HA2 GLY 83 HA2 GLY 83 4.940 10.965 -2.808 675 HA3 GLY 83 HA1 GLY 83 3.838 12.255 -2.305 676 H ILE 84 HN ILE 84 3.351 8.815 -2.139 677 HA ILE 84 HA ILE 84 2.632 9.036 0.720 678 HB ILE 84 HB ILE 84 2.218 7.086 -1.505 679 HG12 ILE 84 HG12 ILE 84 0.385 7.819 0.778 680 HG13 ILE 84 HG11 ILE 84 0.561 8.831 -0.653 681 HG21 ILE 84 HG21 ILE 84 2.264 6.273 1.399 682 HG22 ILE 84 HG22 ILE 84 3.168 5.555 0.066 683 HG23 ILE 84 HG23 ILE 84 1.419 5.367 0.145 684 HD11 ILE 84 HD11 ILE 84 -0.065 5.890 -0.901 685 HD12 ILE 84 HD12 ILE 84 -0.319 7.172 -2.086 686 HD13 ILE 84 HD13 ILE 84 -1.345 7.078 -0.655 687 H GLN 85 HN GLN 85 3.653 7.939 2.370 688 HA GLN 85 HA GLN 85 6.247 6.576 1.765 689 HB2 GLN 85 HB2 GLN 85 5.675 8.585 3.967 690 HB3 GLN 85 HB1 GLN 85 7.156 7.635 3.832 691 HG2 GLN 85 HG2 GLN 85 7.800 8.710 1.823 692 HG3 GLN 85 HG1 GLN 85 6.179 9.348 1.553 693 HE21 GLN 85 HE21 GLN 85 5.414 10.926 3.392 694 HE22 GLN 85 HE22 GLN 85 6.587 11.990 4.003 695 H ALA 86 HN ALA 86 6.782 5.981 4.496 696 HA ALA 86 HA ALA 86 4.859 3.801 4.884 697 HB1 ALA 86 HB1 ALA 86 7.567 4.207 5.480 698 HB2 ALA 86 HB2 ALA 86 6.600 2.820 5.978 699 HB3 ALA 86 HB3 ALA 86 6.789 4.198 7.061 700 H ASP 87 HN ASP 87 4.952 7.025 5.730 701 HA ASP 87 HA ASP 87 3.675 6.706 8.376 702 HB2 ASP 87 HB2 ASP 87 5.299 8.584 7.787 703 HB3 ASP 87 HB1 ASP 87 4.017 9.244 6.773 704 H ALA 88 HN ALA 88 2.692 6.143 5.443 705 HA ALA 88 HA ALA 88 0.109 7.615 5.530 706 HB1 ALA 88 HB1 ALA 88 1.531 7.290 3.406 707 HB2 ALA 88 HB2 ALA 88 -0.193 6.937 3.278 708 HB3 ALA 88 HB3 ALA 88 0.969 5.618 3.431 709 H LYS 89 HN LYS 89 -1.481 6.673 6.714 710 HA LYS 89 HA LYS 89 -1.525 3.712 7.039 711 HB2 LYS 89 HB2 LYS 89 -2.769 6.044 8.490 712 HB3 LYS 89 HB1 LYS 89 -3.550 4.483 8.586 713 HG2 LYS 89 HG2 LYS 89 -1.986 4.771 10.461 714 HG3 LYS 89 HG1 LYS 89 -1.474 3.455 9.410 715 HD2 LYS 89 HD2 LYS 89 0.438 4.884 10.030 716 HD3 LYS 89 HD1 LYS 89 0.135 4.950 8.297 717 HE2 LYS 89 HE2 LYS 89 0.543 7.184 9.579 718 HE3 LYS 89 HE1 LYS 89 -0.773 7.112 8.411 719 HZ1 LYS 89 HZ1 LYS 89 -1.156 8.016 10.819 720 HZ2 LYS 89 HZ2 LYS 89 -1.331 6.367 11.187 721 HZ3 LYS 89 HZ3 LYS 89 -2.347 7.096 10.038 722 H LEU 90 HN LEU 90 -2.542 2.772 5.277 723 HA LEU 90 HA LEU 90 -4.742 4.188 3.939 724 HB2 LEU 90 HB2 LEU 90 -3.489 1.487 3.419 725 HB3 LEU 90 HB1 LEU 90 -4.655 2.294 2.373 726 HG LEU 90 HG LEU 90 -1.969 3.448 3.161 727 HD11 LEU 90 HD11 LEU 90 -1.408 2.984 0.739 728 HD12 LEU 90 HD12 LEU 90 -2.884 2.025 0.648 729 HD13 LEU 90 HD13 LEU 90 -1.584 1.541 1.737 730 HD21 LEU 90 HD21 LEU 90 -3.230 5.316 2.601 731 HD22 LEU 90 HD22 LEU 90 -4.285 4.417 1.513 732 HD23 LEU 90 HD23 LEU 90 -2.658 4.858 0.999 733 H GLN 91 HN GLN 91 -6.592 2.803 3.315 734 HA GLN 91 HA GLN 91 -7.558 1.025 5.433 735 HB2 GLN 91 HB2 GLN 91 -9.470 2.929 4.196 736 HB3 GLN 91 HB1 GLN 91 -9.599 2.062 5.697 737 HG2 GLN 91 HG2 GLN 91 -8.187 3.519 6.853 738 HG3 GLN 91 HG1 GLN 91 -7.449 4.147 5.394 739 HE21 GLN 91 HE21 GLN 91 -10.875 3.821 6.482 740 HE22 GLN 91 HE22 GLN 91 -11.278 5.435 6.154 741 H PHE 92 HN PHE 92 -9.548 -0.126 4.496 742 HA PHE 92 HA PHE 92 -9.262 -0.593 1.581 743 HB2 PHE 92 HB2 PHE 92 -8.338 -2.469 2.796 744 HB3 PHE 92 HB1 PHE 92 -9.776 -2.592 3.734 745 HD1 PHE 92 HD2 PHE 92 -11.995 -3.102 2.626 746 HD2 PHE 92 HD1 PHE 92 -8.209 -3.490 0.635 747 HE1 PHE 92 HE2 PHE 92 -13.035 -4.581 0.942 748 HE2 PHE 92 HE1 PHE 92 -9.254 -4.978 -1.051 749 HZ PHE 92 HZ PHE 92 -11.666 -5.523 -0.884 750 H THR 93 HN THR 93 -11.181 -0.991 0.570 751 HA THR 93 HA THR 93 -13.679 -1.183 1.975 752 HB THR 93 HB THR 93 -13.441 1.076 2.530 753 HG1 THR 93 HG1 THR 93 -14.749 2.082 0.612 754 HG21 THR 93 HG21 THR 93 -12.344 1.362 -0.263 755 HG22 THR 93 HG22 THR 93 -11.532 1.670 1.270 756 HG23 THR 93 HG23 THR 93 -12.808 2.754 0.710 757 HA PRO 94 HA PRO 94 -14.927 -2.830 -1.967 758 HB2 PRO 94 HB2 PRO 94 -17.436 -1.194 -1.769 759 HB3 PRO 94 HB1 PRO 94 -17.247 -2.937 -2.055 760 HG2 PRO 94 HG2 PRO 94 -18.028 -1.989 0.316 761 HG3 PRO 94 HG1 PRO 94 -16.977 -3.411 0.182 762 HD2 PRO 94 HD2 PRO 94 -16.273 -0.625 1.019 763 HD3 PRO 94 HD1 PRO 94 -15.571 -2.175 1.521 Start of MODEL 4 1 H MET 1 HT1 MET 1 37.480 -2.988 -4.690 2 HA MET 1 HA MET 1 35.292 -2.392 -3.984 3 HB2 MET 1 HB2 MET 1 35.786 -5.383 -3.990 4 HB3 MET 1 HB1 MET 1 34.205 -4.629 -4.202 5 HG2 MET 1 HG2 MET 1 34.852 -3.597 -6.242 6 HG3 MET 1 HG1 MET 1 36.558 -3.926 -5.956 7 HE1 MET 1 HE1 MET 1 34.208 -4.600 -8.331 8 HE2 MET 1 HE2 MET 1 34.967 -6.018 -9.050 9 HE3 MET 1 HE3 MET 1 35.949 -4.612 -8.647 10 H ALA 2 HN ALA 2 33.643 -4.288 -2.544 11 HA ALA 2 HA ALA 2 34.509 -4.728 0.131 12 HB1 ALA 2 HB1 ALA 2 34.578 -2.325 0.408 13 HB2 ALA 2 HB2 ALA 2 33.126 -2.910 1.217 14 HB3 ALA 2 HB3 ALA 2 33.004 -2.143 -0.366 15 H LEU 3 HN LEU 3 33.308 -6.586 0.050 16 HA LEU 3 HA LEU 3 30.893 -7.090 -1.185 17 HB2 LEU 3 HB2 LEU 3 31.454 -8.180 1.577 18 HB3 LEU 3 HB1 LEU 3 30.656 -8.964 0.223 19 HG LEU 3 HG LEU 3 33.591 -8.276 0.465 20 HD11 LEU 3 HD11 LEU 3 33.868 -10.704 0.202 21 HD12 LEU 3 HD12 LEU 3 32.118 -10.898 0.101 22 HD13 LEU 3 HD13 LEU 3 32.859 -10.334 1.599 23 HD21 LEU 3 HD21 LEU 3 33.672 -9.446 -1.820 24 HD22 LEU 3 HD22 LEU 3 33.034 -7.803 -1.801 25 HD23 LEU 3 HD23 LEU 3 31.931 -9.174 -1.896 26 H ASP 4 HN ASP 4 30.619 -6.881 2.319 27 HA ASP 4 HA ASP 4 27.992 -6.050 2.488 28 HB2 ASP 4 HB2 ASP 4 29.526 -6.637 4.422 29 HB3 ASP 4 HB1 ASP 4 30.173 -5.000 4.310 30 H GLY 5 HN GLY 5 30.736 -4.264 1.450 31 HA2 GLY 5 HA2 GLY 5 29.513 -1.628 1.760 32 HA3 GLY 5 HA1 GLY 5 30.996 -1.995 0.877 33 H ILE 6 HN ILE 6 28.188 -3.881 0.274 34 HA ILE 6 HA ILE 6 28.091 -3.777 -2.445 35 HB ILE 6 HB ILE 6 25.821 -3.807 -0.465 36 HG12 ILE 6 HG12 ILE 6 27.575 -5.888 -1.758 37 HG13 ILE 6 HG11 ILE 6 27.048 -5.748 -0.088 38 HG21 ILE 6 HG21 ILE 6 25.012 -3.094 -2.752 39 HG22 ILE 6 HG22 ILE 6 24.360 -4.641 -2.259 40 HG23 ILE 6 HG23 ILE 6 25.693 -4.577 -3.411 41 HD11 ILE 6 HD11 ILE 6 24.660 -6.220 -1.141 42 HD12 ILE 6 HD12 ILE 6 25.768 -7.542 -0.783 43 HD13 ILE 6 HD13 ILE 6 25.621 -6.937 -2.432 44 H ARG 7 HN ARG 7 25.649 -1.788 -0.837 45 HA ARG 7 HA ARG 7 26.481 0.546 -2.501 46 HB2 ARG 7 HB2 ARG 7 24.563 -0.938 -3.502 47 HB3 ARG 7 HB1 ARG 7 23.572 -0.215 -2.245 48 HG2 ARG 7 HG2 ARG 7 23.239 1.288 -4.004 49 HG3 ARG 7 HG1 ARG 7 24.572 2.056 -3.146 50 HD2 ARG 7 HD2 ARG 7 25.437 2.082 -5.298 51 HD3 ARG 7 HD1 ARG 7 26.025 0.505 -4.772 52 HE ARG 7 HE ARG 7 23.397 0.298 -5.965 53 HH11 ARG 7 HH21 ARG 7 26.770 0.674 -6.566 54 HH12 ARG 7 HH22 ARG 7 26.709 -0.057 -8.135 55 HH21 ARG 7 HH11 ARG 7 23.295 -0.656 -8.013 56 HH22 ARG 7 HH12 ARG 7 24.740 -0.810 -8.955 57 H MET 8 HN MET 8 23.864 -0.348 -0.294 58 HA MET 8 HA MET 8 24.762 1.158 1.857 59 HB2 MET 8 HB2 MET 8 22.538 2.774 1.431 60 HB3 MET 8 HB1 MET 8 24.202 3.232 1.179 61 HG2 MET 8 HG2 MET 8 24.100 3.087 -1.108 62 HG3 MET 8 HG1 MET 8 22.877 1.831 -1.102 63 HE1 MET 8 HE1 MET 8 22.135 3.304 -3.155 64 HE2 MET 8 HE2 MET 8 20.601 4.127 -2.883 65 HE3 MET 8 HE3 MET 8 20.808 2.462 -2.345 66 HA PRO 9 HA PRO 9 20.332 -0.361 3.080 67 HB2 PRO 9 HB2 PRO 9 19.673 -1.825 0.527 68 HB3 PRO 9 HB1 PRO 9 18.573 -1.125 1.739 69 HG2 PRO 9 HG2 PRO 9 18.980 0.180 -0.482 70 HG3 PRO 9 HG1 PRO 9 19.028 1.055 1.067 71 HD2 PRO 9 HD2 PRO 9 21.329 0.193 -0.663 72 HD3 PRO 9 HD1 PRO 9 21.066 1.703 0.233 73 H ASP 10 HN ASP 10 22.783 -1.894 1.167 74 HA ASP 10 HA ASP 10 22.551 -4.404 2.813 75 HB2 ASP 10 HB2 ASP 10 23.538 -3.895 0.000 76 HB3 ASP 10 HB1 ASP 10 24.040 -5.323 0.904 77 H GLY 11 HN GLY 11 23.957 -1.590 2.938 78 HA2 GLY 11 HA2 GLY 11 26.409 -2.618 4.198 79 HA3 GLY 11 HA1 GLY 11 26.661 -1.534 2.830 80 H CYS 12 HN CYS 12 24.389 0.095 3.272 81 HA CYS 12 HA CYS 12 25.449 1.882 5.245 82 HB2 CYS 12 HB2 CYS 12 24.324 2.876 3.376 83 HB3 CYS 12 HB1 CYS 12 22.840 1.976 3.710 84 HG CYS 12 HG CYS 12 23.949 4.182 5.639 85 H TYR 13 HN TYR 13 22.037 1.107 5.103 86 HA TYR 13 HA TYR 13 21.853 -0.468 7.477 87 HB2 TYR 13 HB2 TYR 13 22.316 2.313 7.907 88 HB3 TYR 13 HB1 TYR 13 20.617 2.057 8.273 89 HD1 TYR 13 HD1 TYR 13 20.093 -0.082 9.757 90 HD2 TYR 13 HD2 TYR 13 23.906 1.891 9.579 91 HE1 TYR 13 HE1 TYR 13 20.707 -1.069 11.948 92 HE2 TYR 13 HE2 TYR 13 24.519 0.903 11.770 93 HH TYR 13 HH TYR 13 23.150 0.024 13.835 94 H ALA 14 HN ALA 14 19.663 -1.194 7.680 95 HA ALA 14 HA ALA 14 18.003 -1.067 5.420 96 HB1 ALA 14 HB1 ALA 14 17.512 -2.728 7.074 97 HB2 ALA 14 HB2 ALA 14 16.114 -1.652 7.028 98 HB3 ALA 14 HB3 ALA 14 17.297 -1.508 8.329 99 H ASP 15 HN ASP 15 17.454 0.906 4.552 100 HA ASP 15 HA ASP 15 15.581 2.567 6.028 101 HB2 ASP 15 HB2 ASP 15 18.175 3.165 6.522 102 HB3 ASP 15 HB1 ASP 15 17.945 4.132 5.071 103 H GLY 16 HN GLY 16 14.401 3.874 4.640 104 HA2 GLY 16 HA2 GLY 16 14.168 5.070 2.485 105 HA3 GLY 16 HA1 GLY 16 15.113 3.798 1.722 106 H THR 17 HN THR 17 13.815 1.617 3.046 107 HA THR 17 HA THR 17 11.355 1.515 1.406 108 HB THR 17 HB THR 17 11.298 -0.877 2.144 109 HG1 THR 17 HG1 THR 17 12.318 -1.189 3.946 110 HG21 THR 17 HG21 THR 17 14.083 -0.219 1.214 111 HG22 THR 17 HG22 THR 17 12.692 0.066 0.170 112 HG23 THR 17 HG23 THR 17 13.048 -1.563 0.737 113 H TRP 18 HN TRP 18 9.409 0.345 2.564 114 HA TRP 18 HA TRP 18 9.182 0.768 5.424 115 HB2 TRP 18 HB2 TRP 18 7.237 2.543 4.996 116 HB3 TRP 18 HB1 TRP 18 8.906 3.053 5.192 117 HD1 TRP 18 HD1 TRP 18 9.999 4.316 3.258 118 HE1 TRP 18 HE1 TRP 18 9.244 5.025 0.888 119 HE3 TRP 18 HE3 TRP 18 5.691 1.591 2.822 120 HZ2 TRP 18 HZ2 TRP 18 7.115 4.537 -0.912 121 HZ3 TRP 18 HZ3 TRP 18 4.340 1.737 0.736 122 HH2 TRP 18 HH2 TRP 18 5.042 3.204 -1.110 123 H GLU 19 HN GLU 19 6.431 1.024 5.721 124 HA GLU 19 HA GLU 19 5.279 -1.138 4.042 125 HB2 GLU 19 HB2 GLU 19 4.189 -2.086 6.006 126 HB3 GLU 19 HB1 GLU 19 5.930 -2.088 6.244 127 HG2 GLU 19 HG2 GLU 19 4.013 -0.013 7.345 128 HG3 GLU 19 HG1 GLU 19 4.738 -1.322 8.272 129 H LEU 20 HN LEU 20 2.854 -1.180 4.858 130 HA LEU 20 HA LEU 20 1.746 1.567 5.020 131 HB2 LEU 20 HB2 LEU 20 1.865 -0.104 2.650 132 HB3 LEU 20 HB1 LEU 20 0.179 0.154 3.100 133 HG LEU 20 HG LEU 20 0.975 1.878 1.541 134 HD11 LEU 20 HD11 LEU 20 -0.595 2.305 3.675 135 HD12 LEU 20 HD12 LEU 20 -0.142 3.605 2.575 136 HD13 LEU 20 HD13 LEU 20 0.716 3.408 4.100 137 HD21 LEU 20 HD21 LEU 20 2.853 3.172 1.854 138 HD22 LEU 20 HD22 LEU 20 3.368 1.722 2.701 139 HD23 LEU 20 HD23 LEU 20 2.758 3.099 3.614 140 H SER 21 HN SER 21 -0.460 1.586 5.700 141 HA SER 21 HA SER 21 -1.444 -0.956 6.899 142 HB2 SER 21 HB2 SER 21 -2.579 0.712 8.556 143 HB3 SER 21 HB1 SER 21 -0.877 0.327 8.756 144 HG SER 21 HG SER 21 -2.101 2.671 7.944 145 H VAL 22 HN VAL 22 -3.383 -1.553 6.350 146 HA VAL 22 HA VAL 22 -5.131 0.364 4.876 147 HB VAL 22 HB VAL 22 -4.436 -2.495 4.332 148 HG11 VAL 22 HG11 VAL 22 -6.577 -2.765 3.037 149 HG12 VAL 22 HG12 VAL 22 -7.184 -1.322 3.842 150 HG13 VAL 22 HG13 VAL 22 -6.818 -2.768 4.785 151 HG21 VAL 22 HG21 VAL 22 -5.259 -0.125 2.629 152 HG22 VAL 22 HG22 VAL 22 -4.732 -1.685 2.007 153 HG23 VAL 22 HG23 VAL 22 -3.606 -0.674 2.916 154 H HIS 23 HN HIS 23 -7.311 0.037 5.109 155 HA HIS 23 HA HIS 23 -8.324 -1.140 7.644 156 HB2 HIS 23 HB2 HIS 23 -7.808 1.601 7.230 157 HB3 HIS 23 HB1 HIS 23 -9.540 1.478 7.008 158 HD1 HIS 23 HD1 HIS 23 -10.934 1.313 9.095 159 HD2 HIS 23 HD2 HIS 23 -6.914 0.510 9.853 160 HE1 HIS 23 HE1 HIS 23 -10.709 1.096 11.608 161 H VAL 24 HN VAL 24 -10.157 -2.298 7.179 162 HA VAL 24 HA VAL 24 -11.462 -1.870 4.584 163 HB VAL 24 HB VAL 24 -12.291 -3.952 6.574 164 HG11 VAL 24 HG11 VAL 24 -13.020 -5.154 4.628 165 HG12 VAL 24 HG12 VAL 24 -12.152 -4.070 3.548 166 HG13 VAL 24 HG13 VAL 24 -13.574 -3.494 4.415 167 HG21 VAL 24 HG21 VAL 24 -9.967 -4.351 6.508 168 HG22 VAL 24 HG22 VAL 24 -9.838 -3.889 4.811 169 HG23 VAL 24 HG23 VAL 24 -10.595 -5.419 5.257 170 H THR 25 HN THR 25 -12.788 -0.142 4.624 171 HA THR 25 HA THR 25 -14.477 0.432 6.937 172 HB THR 25 HB THR 25 -15.037 2.402 5.820 173 HG1 THR 25 HG1 THR 25 -14.384 1.361 3.301 174 HG21 THR 25 HG21 THR 25 -12.523 1.659 4.315 175 HG22 THR 25 HG22 THR 25 -12.524 2.097 6.024 176 HG23 THR 25 HG23 THR 25 -13.045 3.269 4.813 177 H ASP 26 HN ASP 26 -16.886 0.504 6.703 178 HA ASP 26 HA ASP 26 -18.937 -0.453 6.089 179 HB2 ASP 26 HB2 ASP 26 -17.732 -1.676 3.617 180 HB3 ASP 26 HB1 ASP 26 -19.317 -0.939 3.843 181 H VAL 27 HN VAL 27 -16.038 -2.163 6.472 182 HA VAL 27 HA VAL 27 -17.539 -4.703 7.032 183 HB VAL 27 HB VAL 27 -14.640 -4.591 6.190 184 HG11 VAL 27 HG11 VAL 27 -16.680 -6.811 5.921 185 HG12 VAL 27 HG12 VAL 27 -15.690 -6.610 7.366 186 HG13 VAL 27 HG13 VAL 27 -14.924 -6.939 5.809 187 HG21 VAL 27 HG21 VAL 27 -15.452 -5.251 3.917 188 HG22 VAL 27 HG22 VAL 27 -15.921 -3.611 4.359 189 HG23 VAL 27 HG23 VAL 27 -17.101 -4.918 4.447 190 H ASN 28 HN ASN 28 -15.149 -2.361 7.954 191 HA ASN 28 HA ASN 28 -14.335 -1.779 10.027 192 HB2 ASN 28 HB2 ASN 28 -16.701 -2.750 10.555 193 HB3 ASN 28 HB1 ASN 28 -15.787 -4.054 11.298 194 HD21 ASN 28 HD21 ASN 28 -14.164 -3.374 13.024 195 HD22 ASN 28 HD22 ASN 28 -14.491 -1.985 13.943 196 H ARG 29 HN ARG 29 -13.271 -4.214 8.390 197 HA ARG 29 HA ARG 29 -11.633 -5.455 10.579 198 HB2 ARG 29 HB2 ARG 29 -11.082 -6.351 7.794 199 HB3 ARG 29 HB1 ARG 29 -11.352 -7.303 9.255 200 HG2 ARG 29 HG2 ARG 29 -13.833 -6.602 9.032 201 HG3 ARG 29 HG1 ARG 29 -13.400 -6.126 7.391 202 HD2 ARG 29 HD2 ARG 29 -14.262 -8.453 7.461 203 HD3 ARG 29 HD1 ARG 29 -12.585 -8.396 6.921 204 HE ARG 29 HE ARG 29 -12.400 -8.765 9.666 205 HH11 ARG 29 HH21 ARG 29 -13.994 -10.293 7.020 206 HH12 ARG 29 HH22 ARG 29 -13.939 -11.873 7.727 207 HH21 ARG 29 HH11 ARG 29 -12.320 -10.817 10.606 208 HH22 ARG 29 HH12 ARG 29 -12.992 -12.170 9.758 209 H ASP 30 HN ASP 30 -9.218 -5.816 9.489 210 HA ASP 30 HA ASP 30 -8.383 -3.473 7.963 211 HB2 ASP 30 HB2 ASP 30 -6.600 -3.211 10.094 212 HB3 ASP 30 HB1 ASP 30 -7.969 -2.150 9.765 213 H VAL 31 HN VAL 31 -6.450 -3.752 7.014 214 HA VAL 31 HA VAL 31 -4.826 -6.141 7.657 215 HB VAL 31 HB VAL 31 -5.691 -5.505 4.820 216 HG11 VAL 31 HG11 VAL 31 -3.710 -6.884 5.007 217 HG12 VAL 31 HG12 VAL 31 -5.052 -7.927 4.536 218 HG13 VAL 31 HG13 VAL 31 -4.487 -7.919 6.204 219 HG21 VAL 31 HG21 VAL 31 -7.323 -7.371 5.049 220 HG22 VAL 31 HG22 VAL 31 -7.728 -6.005 6.086 221 HG23 VAL 31 HG23 VAL 31 -6.972 -7.442 6.776 222 H THR 32 HN THR 32 -2.615 -5.809 6.538 223 HA THR 32 HA THR 32 -2.182 -2.938 5.817 224 HB THR 32 HB THR 32 -0.148 -2.934 7.141 225 HG1 THR 32 HG1 THR 32 -0.842 -5.388 8.275 226 HG21 THR 32 HG21 THR 32 -1.145 -2.659 9.225 227 HG22 THR 32 HG22 THR 32 -2.201 -4.054 9.009 228 HG23 THR 32 HG23 THR 32 -2.542 -2.551 8.153 229 H LEU 33 HN LEU 33 -0.603 -2.528 4.321 230 HA LEU 33 HA LEU 33 0.205 -4.886 2.708 231 HB2 LEU 33 HB2 LEU 33 -0.034 -1.939 2.166 232 HB3 LEU 33 HB1 LEU 33 1.045 -2.897 1.167 233 HG LEU 33 HG LEU 33 -1.184 -2.666 0.166 234 HD11 LEU 33 HD11 LEU 33 -1.091 -5.553 0.932 235 HD12 LEU 33 HD12 LEU 33 0.329 -4.871 0.139 236 HD13 LEU 33 HD13 LEU 33 -1.240 -4.805 -0.651 237 HD21 LEU 33 HD21 LEU 33 -3.141 -3.151 1.225 238 HD22 LEU 33 HD22 LEU 33 -2.204 -2.820 2.676 239 HD23 LEU 33 HD23 LEU 33 -2.452 -4.482 2.146 240 H ARG 34 HN ARG 34 2.288 -5.315 2.306 241 HA ARG 34 HA ARG 34 4.368 -3.796 3.866 242 HB2 ARG 34 HB2 ARG 34 3.914 -6.415 4.174 243 HB3 ARG 34 HB1 ARG 34 4.842 -6.530 2.686 244 HG2 ARG 34 HG2 ARG 34 6.551 -6.676 4.263 245 HG3 ARG 34 HG1 ARG 34 6.534 -4.941 3.957 246 HD2 ARG 34 HD2 ARG 34 6.521 -5.073 6.309 247 HD3 ARG 34 HD1 ARG 34 4.818 -4.841 5.915 248 HE ARG 34 HE ARG 34 5.159 -7.606 5.962 249 HH11 ARG 34 HH21 ARG 34 5.710 -4.937 8.072 250 HH12 ARG 34 HH22 ARG 34 5.438 -5.852 9.517 251 HH21 ARG 34 HH11 ARG 34 4.803 -8.818 7.836 252 HH22 ARG 34 HH12 ARG 34 4.923 -8.050 9.384 253 H VAL 35 HN VAL 35 4.735 -2.222 2.221 254 HA VAL 35 HA VAL 35 6.058 -3.265 -0.225 255 HB VAL 35 HB VAL 35 4.612 -1.832 -1.643 256 HG11 VAL 35 HG11 VAL 35 2.922 -3.764 -0.051 257 HG12 VAL 35 HG12 VAL 35 4.176 -4.300 -1.172 258 HG13 VAL 35 HG13 VAL 35 2.802 -3.374 -1.765 259 HG21 VAL 35 HG21 VAL 35 3.425 -1.178 1.030 260 HG22 VAL 35 HG22 VAL 35 2.294 -1.356 -0.303 261 HG23 VAL 35 HG23 VAL 35 3.589 -0.167 -0.403 262 H THR 36 HN THR 36 6.274 -1.092 -1.716 263 HA THR 36 HA THR 36 7.373 1.111 -0.044 264 HB THR 36 HB THR 36 9.403 1.098 -1.574 265 HG1 THR 36 HG1 THR 36 9.719 -1.227 -2.288 266 HG21 THR 36 HG21 THR 36 10.530 -0.658 -0.260 267 HG22 THR 36 HG22 THR 36 8.964 -1.293 0.237 268 HG23 THR 36 HG23 THR 36 9.471 0.312 0.760 269 H GLY 37 HN GLY 37 8.220 2.842 -1.726 270 HA2 GLY 37 HA2 GLY 37 6.007 3.855 -3.142 271 HA3 GLY 37 HA1 GLY 37 7.664 4.371 -3.394 272 H GLU 38 HN GLU 38 7.356 1.055 -3.907 273 HA GLU 38 HA GLU 38 7.487 1.480 -6.850 274 HB2 GLU 38 HB2 GLU 38 8.665 -0.607 -6.913 275 HB3 GLU 38 HB1 GLU 38 9.306 0.308 -5.552 276 HG2 GLU 38 HG2 GLU 38 8.965 -1.762 -4.538 277 HG3 GLU 38 HG1 GLU 38 7.439 -0.953 -4.175 278 H VAL 39 HN VAL 39 5.344 0.190 -4.451 279 HA VAL 39 HA VAL 39 4.147 -1.784 -6.235 280 HB VAL 39 HB VAL 39 4.012 -2.170 -3.857 281 HG11 VAL 39 HG11 VAL 39 2.555 0.476 -3.808 282 HG12 VAL 39 HG12 VAL 39 3.996 0.015 -2.923 283 HG13 VAL 39 HG13 VAL 39 2.446 -0.689 -2.502 284 HG21 VAL 39 HG21 VAL 39 1.658 -2.689 -3.680 285 HG22 VAL 39 HG22 VAL 39 2.152 -2.933 -5.354 286 HG23 VAL 39 HG23 VAL 39 1.250 -1.488 -4.903 287 H HIS 40 HN HIS 40 2.510 -1.545 -7.615 288 HA HIS 40 HA HIS 40 1.608 1.108 -8.343 289 HB2 HIS 40 HB2 HIS 40 0.848 -1.693 -9.177 290 HB3 HIS 40 HB1 HIS 40 -0.021 -0.290 -9.783 291 HD1 HIS 40 HD1 HIS 40 2.775 1.446 -9.745 292 HD2 HIS 40 HD2 HIS 40 1.996 -2.099 -11.795 293 HE1 HIS 40 HE1 HIS 40 4.426 1.350 -11.664 294 H ILE 41 HN ILE 41 -0.499 2.004 -7.979 295 HA ILE 41 HA ILE 41 -1.792 1.354 -5.529 296 HB ILE 41 HB ILE 41 -3.142 2.520 -7.973 297 HG12 ILE 41 HG12 ILE 41 -1.503 3.919 -5.841 298 HG13 ILE 41 HG11 ILE 41 -0.987 3.664 -7.501 299 HG21 ILE 41 HG21 ILE 41 -4.468 1.836 -5.885 300 HG22 ILE 41 HG22 ILE 41 -4.647 3.504 -6.417 301 HG23 ILE 41 HG23 ILE 41 -3.601 3.122 -5.047 302 HD11 ILE 41 HD11 ILE 41 -2.150 5.437 -8.224 303 HD12 ILE 41 HD12 ILE 41 -2.422 5.858 -6.537 304 HD13 ILE 41 HD13 ILE 41 -3.624 4.915 -7.414 305 H GLY 42 HN GLY 42 -2.606 0.605 -8.887 306 HA2 GLY 42 HA2 GLY 42 -4.696 -1.264 -8.303 307 HA3 GLY 42 HA1 GLY 42 -3.768 -1.198 -9.811 308 H GLY 43 HN GLY 43 -1.502 -1.320 -7.440 309 HA2 GLY 43 HA2 GLY 43 -1.267 -4.300 -7.620 310 HA3 GLY 43 HA1 GLY 43 0.096 -3.191 -7.432 311 H VAL 44 HN VAL 44 -1.432 -1.509 -5.536 312 HA VAL 44 HA VAL 44 -0.615 -2.785 -3.101 313 HB VAL 44 HB VAL 44 -2.024 -0.315 -3.937 314 HG11 VAL 44 HG11 VAL 44 -2.652 -1.586 -1.268 315 HG12 VAL 44 HG12 VAL 44 -3.784 -0.999 -2.482 316 HG13 VAL 44 HG13 VAL 44 -2.816 0.146 -1.554 317 HG21 VAL 44 HG21 VAL 44 -0.015 -1.007 -1.773 318 HG22 VAL 44 HG22 VAL 44 -0.660 0.615 -1.998 319 HG23 VAL 44 HG23 VAL 44 0.277 -0.143 -3.282 320 H MET 45 HN MET 45 -3.658 -2.582 -4.877 321 HA MET 45 HA MET 45 -5.223 -3.972 -2.879 322 HB2 MET 45 HB2 MET 45 -6.391 -4.481 -5.430 323 HB3 MET 45 HB1 MET 45 -6.867 -3.253 -4.265 324 HG2 MET 45 HG2 MET 45 -5.366 -1.634 -5.257 325 HG3 MET 45 HG1 MET 45 -4.681 -2.861 -6.321 326 HE1 MET 45 HE1 MET 45 -8.639 -0.636 -6.632 327 HE2 MET 45 HE2 MET 45 -7.192 -0.230 -5.714 328 HE3 MET 45 HE3 MET 45 -8.230 -1.547 -5.172 329 H LEU 46 HN LEU 46 -3.509 -5.039 -5.814 330 HA LEU 46 HA LEU 46 -4.221 -7.803 -5.488 331 HB2 LEU 46 HB2 LEU 46 -1.684 -6.743 -6.759 332 HB3 LEU 46 HB1 LEU 46 -2.479 -8.277 -7.094 333 HG LEU 46 HG LEU 46 -3.749 -5.575 -7.590 334 HD11 LEU 46 HD11 LEU 46 -1.680 -6.126 -9.003 335 HD12 LEU 46 HD12 LEU 46 -3.162 -5.792 -9.895 336 HD13 LEU 46 HD13 LEU 46 -2.622 -7.456 -9.674 337 HD21 LEU 46 HD21 LEU 46 -5.201 -7.077 -9.106 338 HD22 LEU 46 HD22 LEU 46 -5.461 -7.208 -7.368 339 HD23 LEU 46 HD23 LEU 46 -4.515 -8.433 -8.212 340 H LYS 47 HN LYS 47 -1.178 -6.095 -4.732 341 HA LYS 47 HA LYS 47 0.088 -8.172 -3.377 342 HB2 LYS 47 HB2 LYS 47 0.978 -5.830 -3.841 343 HB3 LYS 47 HB1 LYS 47 0.087 -5.296 -2.430 344 HG2 LYS 47 HG2 LYS 47 2.159 -5.773 -1.473 345 HG3 LYS 47 HG1 LYS 47 1.305 -7.297 -1.237 346 HD2 LYS 47 HD2 LYS 47 3.286 -8.085 -2.189 347 HD3 LYS 47 HD1 LYS 47 2.320 -7.858 -3.646 348 HE2 LYS 47 HE2 LYS 47 4.220 -6.706 -4.289 349 HE3 LYS 47 HE1 LYS 47 3.368 -5.385 -3.488 350 HZ1 LYS 47 HZ1 LYS 47 5.289 -5.251 -2.351 351 HZ2 LYS 47 HZ2 LYS 47 5.720 -6.869 -2.644 352 HZ3 LYS 47 HZ3 LYS 47 4.606 -6.491 -1.418 353 H LEU 48 HN LEU 48 -2.619 -6.220 -2.429 354 HA LEU 48 HA LEU 48 -2.633 -7.218 0.330 355 HB2 LEU 48 HB2 LEU 48 -3.414 -5.008 0.059 356 HB3 LEU 48 HB1 LEU 48 -4.431 -5.437 -1.288 357 HG LEU 48 HG LEU 48 -5.970 -6.599 0.127 358 HD11 LEU 48 HD11 LEU 48 -5.433 -6.532 2.698 359 HD12 LEU 48 HD12 LEU 48 -3.764 -6.361 2.168 360 HD13 LEU 48 HD13 LEU 48 -4.690 -7.779 1.708 361 HD21 LEU 48 HD21 LEU 48 -5.207 -4.175 1.758 362 HD22 LEU 48 HD22 LEU 48 -6.817 -4.785 1.382 363 HD23 LEU 48 HD23 LEU 48 -5.854 -4.003 0.127 364 H VAL 49 HN VAL 49 -4.860 -7.442 -2.486 365 HA VAL 49 HA VAL 49 -6.522 -9.450 -1.345 366 HB VAL 49 HB VAL 49 -5.765 -9.019 -4.253 367 HG11 VAL 49 HG11 VAL 49 -7.961 -10.181 -4.671 368 HG12 VAL 49 HG12 VAL 49 -8.002 -10.601 -2.959 369 HG13 VAL 49 HG13 VAL 49 -6.716 -11.228 -3.990 370 HG21 VAL 49 HG21 VAL 49 -7.592 -7.534 -4.387 371 HG22 VAL 49 HG22 VAL 49 -6.896 -7.132 -2.816 372 HG23 VAL 49 HG23 VAL 49 -8.329 -8.156 -2.912 373 H GLU 50 HN GLU 50 -3.472 -9.613 -3.099 374 HA GLU 50 HA GLU 50 -3.302 -12.463 -3.247 375 HB2 GLU 50 HB2 GLU 50 -1.188 -10.299 -3.157 376 HB3 GLU 50 HB1 GLU 50 -0.814 -12.006 -3.402 377 HG2 GLU 50 HG2 GLU 50 -2.225 -12.072 -5.381 378 HG3 GLU 50 HG1 GLU 50 -2.727 -10.412 -5.120 379 H LYS 51 HN LYS 51 -2.242 -10.089 -0.775 380 HA LYS 51 HA LYS 51 -0.953 -11.932 0.960 381 HB2 LYS 51 HB2 LYS 51 -2.212 -9.250 1.231 382 HB3 LYS 51 HB1 LYS 51 -2.006 -10.144 2.718 383 HG2 LYS 51 HG2 LYS 51 0.401 -10.427 2.215 384 HG3 LYS 51 HG1 LYS 51 0.184 -9.524 0.720 385 HD2 LYS 51 HD2 LYS 51 1.057 -8.043 2.471 386 HD3 LYS 51 HD1 LYS 51 -0.574 -7.557 2.011 387 HE2 LYS 51 HE2 LYS 51 0.081 -7.766 4.569 388 HE3 LYS 51 HE1 LYS 51 -1.510 -8.283 4.013 389 HZ1 LYS 51 HZ1 LYS 51 0.757 -10.169 4.076 390 HZ2 LYS 51 HZ2 LYS 51 -0.909 -10.501 4.103 391 HZ3 LYS 51 HZ3 LYS 51 -0.145 -9.858 5.478 392 H LEU 52 HN LEU 52 -4.339 -10.707 1.151 393 HA LEU 52 HA LEU 52 -5.264 -12.359 3.204 394 HB2 LEU 52 HB2 LEU 52 -6.683 -11.536 0.656 395 HB3 LEU 52 HB1 LEU 52 -7.497 -12.282 2.028 396 HG LEU 52 HG LEU 52 -5.861 -9.737 2.228 397 HD11 LEU 52 HD11 LEU 52 -8.869 -10.060 2.006 398 HD12 LEU 52 HD12 LEU 52 -7.815 -9.444 0.733 399 HD13 LEU 52 HD13 LEU 52 -8.003 -8.540 2.236 400 HD21 LEU 52 HD21 LEU 52 -7.575 -11.335 4.128 401 HD22 LEU 52 HD22 LEU 52 -7.492 -9.586 4.320 402 HD23 LEU 52 HD23 LEU 52 -6.024 -10.549 4.415 403 H ASP 53 HN ASP 53 -6.258 -13.260 -0.077 404 HA ASP 53 HA ASP 53 -4.954 -15.862 0.050 405 HB2 ASP 53 HB2 ASP 53 -6.968 -16.021 1.631 406 HB3 ASP 53 HB1 ASP 53 -7.976 -15.873 0.192 407 H VAL 54 HN VAL 54 -7.797 -16.451 -1.487 408 HA VAL 54 HA VAL 54 -7.257 -14.943 -3.953 409 HB VAL 54 HB VAL 54 -5.660 -16.770 -4.178 410 HG11 VAL 54 HG11 VAL 54 -7.848 -18.836 -4.138 411 HG12 VAL 54 HG12 VAL 54 -7.164 -18.290 -2.608 412 HG13 VAL 54 HG13 VAL 54 -6.125 -19.023 -3.827 413 HG21 VAL 54 HG21 VAL 54 -6.287 -17.487 -6.334 414 HG22 VAL 54 HG22 VAL 54 -7.198 -15.991 -6.125 415 HG23 VAL 54 HG23 VAL 54 -7.999 -17.549 -5.920 416 H LYS 55 HN LYS 55 -9.443 -14.275 -3.202 417 HA LYS 55 HA LYS 55 -11.499 -15.706 -4.646 418 HB2 LYS 55 HB2 LYS 55 -12.903 -15.990 -2.443 419 HB3 LYS 55 HB1 LYS 55 -11.704 -17.213 -2.863 420 HG2 LYS 55 HG2 LYS 55 -10.064 -16.190 -1.373 421 HG3 LYS 55 HG1 LYS 55 -11.162 -14.860 -1.032 422 HD2 LYS 55 HD2 LYS 55 -11.550 -16.207 0.828 423 HD3 LYS 55 HD1 LYS 55 -12.800 -16.803 -0.259 424 HE2 LYS 55 HE2 LYS 55 -10.045 -18.057 -0.016 425 HE3 LYS 55 HE1 LYS 55 -11.459 -18.615 0.874 426 HZ1 LYS 55 HZ1 LYS 55 -10.987 -18.658 -2.039 427 HZ2 LYS 55 HZ2 LYS 55 -12.559 -18.750 -1.403 428 HZ3 LYS 55 HZ3 LYS 55 -11.411 -19.940 -1.014 429 H LYS 56 HN LYS 56 -10.285 -13.061 -2.888 430 HA LYS 56 HA LYS 56 -12.853 -11.574 -2.903 431 HB2 LYS 56 HB2 LYS 56 -10.221 -11.306 -1.588 432 HB3 LYS 56 HB1 LYS 56 -10.837 -9.773 -2.172 433 HG2 LYS 56 HG2 LYS 56 -11.643 -10.029 0.077 434 HG3 LYS 56 HG1 LYS 56 -13.018 -10.286 -0.992 435 HD2 LYS 56 HD2 LYS 56 -13.234 -12.109 0.450 436 HD3 LYS 56 HD1 LYS 56 -12.287 -12.824 -0.852 437 HE2 LYS 56 HE2 LYS 56 -11.043 -13.480 1.011 438 HE3 LYS 56 HE1 LYS 56 -10.233 -11.968 0.597 439 HZ1 LYS 56 HZ1 LYS 56 -12.223 -11.101 2.158 440 HZ2 LYS 56 HZ2 LYS 56 -10.661 -11.463 2.721 441 HZ3 LYS 56 HZ3 LYS 56 -11.908 -12.608 2.867 442 H ASP 57 HN ASP 57 -13.237 -9.807 -4.230 443 HA ASP 57 HA ASP 57 -12.355 -9.895 -6.870 444 HB2 ASP 57 HB2 ASP 57 -13.030 -7.241 -5.629 445 HB3 ASP 57 HB1 ASP 57 -13.512 -7.904 -7.191 446 H TRP 58 HN TRP 58 -10.844 -8.594 -8.063 447 HA TRP 58 HA TRP 58 -8.414 -7.960 -6.516 448 HB2 TRP 58 HB2 TRP 58 -8.830 -8.015 -9.511 449 HB3 TRP 58 HB1 TRP 58 -7.298 -8.002 -8.650 450 HD1 TRP 58 HD1 TRP 58 -10.051 -10.268 -9.810 451 HE1 TRP 58 HE1 TRP 58 -9.484 -12.708 -9.203 452 HE3 TRP 58 HE3 TRP 58 -6.019 -9.509 -6.767 453 HZ2 TRP 58 HZ2 TRP 58 -7.574 -14.148 -7.638 454 HZ3 TRP 58 HZ3 TRP 58 -4.846 -11.432 -5.733 455 HH2 TRP 58 HH2 TRP 58 -5.618 -13.749 -6.164 456 H SER 59 HN SER 59 -9.532 -6.388 -9.490 457 HA SER 59 HA SER 59 -8.716 -3.787 -8.424 458 HB2 SER 59 HB2 SER 59 -8.219 -4.230 -10.734 459 HB3 SER 59 HB1 SER 59 -9.894 -4.654 -11.072 460 HG SER 59 HG SER 59 -9.212 -2.460 -11.649 461 H ASP 60 HN ASP 60 -11.786 -5.419 -9.130 462 HA ASP 60 HA ASP 60 -13.565 -3.286 -9.131 463 HB2 ASP 60 HB2 ASP 60 -14.031 -5.851 -9.200 464 HB3 ASP 60 HB1 ASP 60 -14.162 -5.715 -7.448 465 H HIS 61 HN HIS 61 -11.804 -4.602 -6.363 466 HA HIS 61 HA HIS 61 -13.284 -3.101 -4.391 467 HB2 HIS 61 HB2 HIS 61 -10.552 -4.393 -4.338 468 HB3 HIS 61 HB1 HIS 61 -11.296 -3.615 -2.949 469 HD1 HIS 61 HD1 HIS 61 -14.250 -4.643 -3.771 470 HD2 HIS 61 HD2 HIS 61 -10.863 -6.999 -3.180 471 HE1 HIS 61 HE1 HIS 61 -15.083 -6.973 -3.229 472 H ALA 62 HN ALA 62 -11.836 -1.550 -2.941 473 HA ALA 62 HA ALA 62 -10.006 0.140 -4.527 474 HB1 ALA 62 HB1 ALA 62 -12.064 1.095 -5.286 475 HB2 ALA 62 HB2 ALA 62 -11.452 2.186 -4.042 476 HB3 ALA 62 HB3 ALA 62 -12.753 1.057 -3.663 477 H LEU 63 HN LEU 63 -8.985 1.816 -3.171 478 HA LEU 63 HA LEU 63 -9.071 1.108 -0.282 479 HB2 LEU 63 HB2 LEU 63 -6.979 2.701 -1.765 480 HB3 LEU 63 HB1 LEU 63 -6.862 2.062 -0.134 481 HG LEU 63 HG LEU 63 -5.599 0.607 -1.511 482 HD11 LEU 63 HD11 LEU 63 -7.256 -0.387 0.153 483 HD12 LEU 63 HD12 LEU 63 -6.594 -1.475 -1.069 484 HD13 LEU 63 HD13 LEU 63 -8.224 -0.832 -1.256 485 HD21 LEU 63 HD21 LEU 63 -7.847 -0.156 -3.331 486 HD22 LEU 63 HD22 LEU 63 -6.112 -0.111 -3.640 487 HD23 LEU 63 HD23 LEU 63 -7.046 1.385 -3.646 488 H TRP 64 HN TRP 64 -10.220 2.533 0.993 489 HA TRP 64 HA TRP 64 -10.633 5.281 -0.057 490 HB2 TRP 64 HB2 TRP 64 -12.204 3.631 1.528 491 HB3 TRP 64 HB1 TRP 64 -11.494 4.683 2.734 492 HD1 TRP 64 HD1 TRP 64 -11.389 7.398 1.274 493 HE1 TRP 64 HE1 TRP 64 -13.550 8.648 0.630 494 HE3 TRP 64 HE3 TRP 64 -14.700 3.507 1.286 495 HZ2 TRP 64 HZ2 TRP 64 -16.315 8.076 0.181 496 HZ3 TRP 64 HZ3 TRP 64 -17.089 3.889 0.748 497 HH2 TRP 64 HH2 TRP 64 -17.900 6.166 0.196 498 H TRP 65 HN TRP 65 -9.321 6.971 0.555 499 HA TRP 65 HA TRP 65 -7.138 6.374 2.481 500 HB2 TRP 65 HB2 TRP 65 -6.821 7.451 0.152 501 HB3 TRP 65 HB1 TRP 65 -7.464 8.917 0.879 502 HD1 TRP 65 HD1 TRP 65 -5.797 7.689 3.722 503 HE1 TRP 65 HE1 TRP 65 -3.361 8.465 3.900 504 HE3 TRP 65 HE3 TRP 65 -5.003 9.221 -1.088 505 HZ2 TRP 65 HZ2 TRP 65 -1.337 9.591 2.243 506 HZ3 TRP 65 HZ3 TRP 65 -2.802 10.148 -1.753 507 HH2 TRP 65 HH2 TRP 65 -0.974 10.335 -0.088 508 H GLU 66 HN GLU 66 -7.526 6.913 4.592 509 HA GLU 66 HA GLU 66 -9.653 8.658 5.412 510 HB2 GLU 66 HB2 GLU 66 -8.643 8.432 7.659 511 HB3 GLU 66 HB1 GLU 66 -8.777 6.876 6.844 512 HG2 GLU 66 HG2 GLU 66 -6.572 6.683 7.495 513 HG3 GLU 66 HG1 GLU 66 -6.293 7.560 6.000 514 H LYS 67 HN LYS 67 -6.534 9.326 4.187 515 HA LYS 67 HA LYS 67 -6.045 11.772 5.673 516 HB2 LYS 67 HB2 LYS 67 -4.238 10.499 4.641 517 HB3 LYS 67 HB1 LYS 67 -4.948 10.795 3.048 518 HG2 LYS 67 HG2 LYS 67 -4.545 13.120 3.171 519 HG3 LYS 67 HG1 LYS 67 -4.242 13.066 4.907 520 HD2 LYS 67 HD2 LYS 67 -2.194 11.804 4.564 521 HD3 LYS 67 HD1 LYS 67 -2.524 11.711 2.841 522 HE2 LYS 67 HE2 LYS 67 -1.062 13.523 2.866 523 HE3 LYS 67 HE1 LYS 67 -2.595 14.373 3.061 524 HZ1 LYS 67 HZ1 LYS 67 -0.453 13.958 4.964 525 HZ2 LYS 67 HZ2 LYS 67 -2.018 13.746 5.591 526 HZ3 LYS 67 HZ3 LYS 67 -1.586 15.217 4.858 527 H LYS 68 HN LYS 68 -7.025 11.151 2.281 528 HA LYS 68 HA LYS 68 -8.103 13.949 2.149 529 HB2 LYS 68 HB2 LYS 68 -6.989 12.042 0.094 530 HB3 LYS 68 HB1 LYS 68 -8.084 13.327 -0.411 531 HG2 LYS 68 HG2 LYS 68 -5.735 14.012 1.353 532 HG3 LYS 68 HG1 LYS 68 -5.471 13.753 -0.370 533 HD2 LYS 68 HD2 LYS 68 -7.207 15.454 -0.880 534 HD3 LYS 68 HD1 LYS 68 -7.411 15.745 0.846 535 HE2 LYS 68 HE2 LYS 68 -4.713 15.985 -0.489 536 HE3 LYS 68 HE1 LYS 68 -5.840 17.340 -0.424 537 HZ1 LYS 68 HZ1 LYS 68 -5.942 16.862 2.052 538 HZ2 LYS 68 HZ2 LYS 68 -4.517 17.574 1.463 539 HZ3 LYS 68 HZ3 LYS 68 -4.555 15.914 1.823 540 H ARG 69 HN ARG 69 -9.119 10.974 2.860 541 HA ARG 69 HA ARG 69 -11.164 9.843 2.700 542 HB2 ARG 69 HB2 ARG 69 -12.048 12.719 2.346 543 HB3 ARG 69 HB1 ARG 69 -13.171 11.377 2.557 544 HG2 ARG 69 HG2 ARG 69 -12.764 12.423 4.721 545 HG3 ARG 69 HG1 ARG 69 -12.043 10.815 4.711 546 HD2 ARG 69 HD2 ARG 69 -9.865 11.647 4.631 547 HD3 ARG 69 HD1 ARG 69 -10.358 13.170 3.893 548 HE ARG 69 HE ARG 69 -10.313 12.584 6.755 549 HH11 ARG 69 HH21 ARG 69 -11.650 14.435 4.174 550 HH12 ARG 69 HH22 ARG 69 -12.106 15.766 5.185 551 HH21 ARG 69 HH11 ARG 69 -10.899 14.311 8.093 552 HH22 ARG 69 HH12 ARG 69 -11.680 15.696 7.405 553 H THR 70 HN THR 70 -9.674 9.870 0.282 554 HA THR 70 HA THR 70 -11.847 10.023 -1.780 555 HB THR 70 HB THR 70 -9.932 11.686 -2.024 556 HG1 THR 70 HG1 THR 70 -9.569 10.956 -4.274 557 HG21 THR 70 HG21 THR 70 -7.760 10.921 -2.604 558 HG22 THR 70 HG22 THR 70 -8.319 9.264 -2.841 559 HG23 THR 70 HG23 THR 70 -8.226 9.940 -1.215 560 H TRP 71 HN TRP 71 -10.380 8.669 -3.756 561 HA TRP 71 HA TRP 71 -9.886 5.977 -2.566 562 HB2 TRP 71 HB2 TRP 71 -11.186 6.297 -5.253 563 HB3 TRP 71 HB1 TRP 71 -11.274 4.958 -4.126 564 HD1 TRP 71 HD1 TRP 71 -12.928 5.174 -2.046 565 HE1 TRP 71 HE1 TRP 71 -14.986 6.676 -1.650 566 HE3 TRP 71 HE3 TRP 71 -12.220 8.635 -5.735 567 HZ2 TRP 71 HZ2 TRP 71 -16.174 9.034 -2.751 568 HZ3 TRP 71 HZ3 TRP 71 -13.828 10.496 -6.039 569 HH2 TRP 71 HH2 TRP 71 -15.802 10.700 -4.553 570 H LEU 72 HN LEU 72 -8.422 4.681 -3.790 571 HA LEU 72 HA LEU 72 -6.620 6.233 -5.616 572 HB2 LEU 72 HB2 LEU 72 -5.787 3.627 -4.373 573 HB3 LEU 72 HB1 LEU 72 -4.820 5.057 -4.745 574 HG LEU 72 HG LEU 72 -6.869 4.937 -2.524 575 HD11 LEU 72 HD11 LEU 72 -4.835 3.431 -2.277 576 HD12 LEU 72 HD12 LEU 72 -5.104 4.618 -1.007 577 HD13 LEU 72 HD13 LEU 72 -3.876 4.912 -2.236 578 HD21 LEU 72 HD21 LEU 72 -4.730 6.937 -3.313 579 HD22 LEU 72 HD22 LEU 72 -5.682 7.028 -1.832 580 HD23 LEU 72 HD23 LEU 72 -6.474 7.187 -3.400 581 H LEU 73 HN LEU 73 -7.323 5.779 -7.662 582 HA LEU 73 HA LEU 73 -8.291 3.047 -8.286 583 HB2 LEU 73 HB2 LEU 73 -8.409 5.386 -10.165 584 HB3 LEU 73 HB1 LEU 73 -9.508 4.020 -10.014 585 HG LEU 73 HG LEU 73 -9.190 6.286 -8.022 586 HD11 LEU 73 HD11 LEU 73 -11.633 6.626 -8.693 587 HD12 LEU 73 HD12 LEU 73 -11.291 5.563 -10.059 588 HD13 LEU 73 HD13 LEU 73 -10.410 7.080 -9.879 589 HD21 LEU 73 HD21 LEU 73 -10.591 3.631 -7.883 590 HD22 LEU 73 HD22 LEU 73 -11.421 5.024 -7.192 591 HD23 LEU 73 HD23 LEU 73 -9.829 4.567 -6.596 592 H LYS 74 HN LYS 74 -6.584 5.386 -10.372 593 HA LYS 74 HA LYS 74 -5.472 3.351 -11.946 594 HB2 LYS 74 HB2 LYS 74 -4.450 5.017 -13.211 595 HB3 LYS 74 HB1 LYS 74 -5.890 5.765 -12.545 596 HG2 LYS 74 HG2 LYS 74 -3.252 6.052 -11.105 597 HG3 LYS 74 HG1 LYS 74 -3.627 7.061 -12.478 598 HD2 LYS 74 HD2 LYS 74 -4.370 8.325 -10.663 599 HD3 LYS 74 HD1 LYS 74 -5.837 7.612 -11.271 600 HE2 LYS 74 HE2 LYS 74 -6.212 6.629 -9.259 601 HE3 LYS 74 HE1 LYS 74 -4.635 5.864 -9.296 602 HZ1 LYS 74 HZ1 LYS 74 -4.123 8.502 -8.795 603 HZ2 LYS 74 HZ2 LYS 74 -4.070 7.229 -7.671 604 HZ3 LYS 74 HZ3 LYS 74 -5.486 8.151 -7.849 605 H THR 75 HN THR 75 -3.386 2.630 -12.298 606 HA THR 75 HA THR 75 -1.783 2.302 -9.863 607 HB THR 75 HB THR 75 -1.782 0.340 -11.156 608 HG1 THR 75 HG1 THR 75 0.389 1.238 -10.764 609 HG21 THR 75 HG21 THR 75 -1.322 0.506 -13.688 610 HG22 THR 75 HG22 THR 75 -1.660 2.229 -13.509 611 HG23 THR 75 HG23 THR 75 -2.902 1.038 -13.115 612 H HIS 76 HN HIS 76 -1.644 3.973 -12.942 613 HA HIS 76 HA HIS 76 0.919 4.899 -13.218 614 HB2 HIS 76 HB2 HIS 76 -1.086 5.499 -14.623 615 HB3 HIS 76 HB1 HIS 76 -1.500 6.697 -13.397 616 HD1 HIS 76 HD1 HIS 76 2.050 6.608 -13.443 617 HD2 HIS 76 HD2 HIS 76 -0.811 8.314 -15.950 618 HE1 HIS 76 HE1 HIS 76 3.244 8.397 -14.780 619 H TRP 77 HN TRP 77 -1.135 5.594 -10.546 620 HA TRP 77 HA TRP 77 0.684 7.797 -9.631 621 HB2 TRP 77 HB2 TRP 77 -2.191 7.410 -9.539 622 HB3 TRP 77 HB1 TRP 77 -1.575 7.666 -7.922 623 HD1 TRP 77 HD1 TRP 77 -1.570 10.085 -7.245 624 HE1 TRP 77 HE1 TRP 77 -1.279 12.352 -8.432 625 HE3 TRP 77 HE3 TRP 77 -0.844 8.489 -12.043 626 HZ2 TRP 77 HZ2 TRP 77 -0.800 13.357 -11.063 627 HZ3 TRP 77 HZ3 TRP 77 -0.472 10.122 -13.867 628 HH2 TRP 77 HH2 TRP 77 -0.449 12.553 -13.384 629 H THR 78 HN THR 78 2.040 5.737 -9.225 630 HA THR 78 HA THR 78 1.595 3.839 -7.254 631 HB THR 78 HB THR 78 4.281 5.182 -7.178 632 HG1 THR 78 HG1 THR 78 4.510 3.875 -9.289 633 HG21 THR 78 HG21 THR 78 3.813 2.980 -6.107 634 HG22 THR 78 HG22 THR 78 5.083 2.904 -7.324 635 HG23 THR 78 HG23 THR 78 3.467 2.322 -7.703 636 H LEU 79 HN LEU 79 2.749 3.940 -5.035 637 HA LEU 79 HA LEU 79 1.429 5.855 -3.405 638 HB2 LEU 79 HB2 LEU 79 3.726 3.954 -3.030 639 HB3 LEU 79 HB1 LEU 79 3.225 5.015 -1.720 640 HG LEU 79 HG LEU 79 1.045 4.073 -1.687 641 HD11 LEU 79 HD11 LEU 79 1.865 2.658 -4.222 642 HD12 LEU 79 HD12 LEU 79 0.533 3.793 -4.008 643 HD13 LEU 79 HD13 LEU 79 0.454 2.193 -3.284 644 HD21 LEU 79 HD21 LEU 79 1.605 1.601 -1.372 645 HD22 LEU 79 HD22 LEU 79 2.620 2.730 -0.476 646 HD23 LEU 79 HD23 LEU 79 3.225 1.988 -1.959 647 H ASP 80 HN ASP 80 4.842 5.497 -4.232 648 HA ASP 80 HA ASP 80 5.658 7.955 -3.090 649 HB2 ASP 80 HB2 ASP 80 7.469 6.658 -3.643 650 HB3 ASP 80 HB1 ASP 80 6.752 6.062 -5.121 651 H LYS 81 HN LYS 81 4.282 7.186 -6.275 652 HA LYS 81 HA LYS 81 4.751 9.627 -7.590 653 HB2 LYS 81 HB2 LYS 81 2.791 7.492 -7.817 654 HB3 LYS 81 HB1 LYS 81 2.032 9.027 -8.169 655 HG2 LYS 81 HG2 LYS 81 2.816 8.407 -10.266 656 HG3 LYS 81 HG1 LYS 81 4.117 9.425 -9.715 657 HD2 LYS 81 HD2 LYS 81 5.590 7.700 -9.941 658 HD3 LYS 81 HD1 LYS 81 4.669 6.746 -8.799 659 HE2 LYS 81 HE2 LYS 81 4.792 5.543 -10.905 660 HE3 LYS 81 HE1 LYS 81 3.131 6.080 -10.618 661 HZ1 LYS 81 HZ1 LYS 81 3.183 7.390 -12.398 662 HZ2 LYS 81 HZ2 LYS 81 4.583 6.549 -12.864 663 HZ3 LYS 81 HZ3 LYS 81 4.712 8.016 -12.018 664 H TYR 82 HN TYR 82 2.216 8.842 -5.262 665 HA TYR 82 HA TYR 82 1.206 11.599 -5.278 666 HB2 TYR 82 HB2 TYR 82 -0.196 9.561 -4.702 667 HB3 TYR 82 HB1 TYR 82 0.705 9.460 -3.189 668 HD1 TYR 82 HD2 TYR 82 0.678 11.428 -1.600 669 HD2 TYR 82 HD1 TYR 82 -1.948 11.152 -4.987 670 HE1 TYR 82 HE2 TYR 82 -0.785 13.164 -0.605 671 HE2 TYR 82 HE1 TYR 82 -3.413 12.889 -3.992 672 HH TYR 82 HH TYR 82 -2.720 14.254 -0.777 673 H GLY 83 HN GLY 83 3.696 9.801 -3.719 674 HA2 GLY 83 HA2 GLY 83 5.502 10.831 -2.477 675 HA3 GLY 83 HA1 GLY 83 4.456 12.221 -2.145 676 H ILE 84 HN ILE 84 3.660 8.848 -1.905 677 HA ILE 84 HA ILE 84 2.649 9.249 0.837 678 HB ILE 84 HB ILE 84 2.430 7.168 -1.301 679 HG12 ILE 84 HG12 ILE 84 0.343 8.240 0.599 680 HG13 ILE 84 HG11 ILE 84 0.800 9.075 -0.885 681 HG21 ILE 84 HG21 ILE 84 2.020 6.618 1.628 682 HG22 ILE 84 HG22 ILE 84 3.012 5.717 0.482 683 HG23 ILE 84 HG23 ILE 84 1.255 5.669 0.354 684 HD11 ILE 84 HD11 ILE 84 0.012 7.320 -2.257 685 HD12 ILE 84 HD12 ILE 84 -1.217 7.461 -1.001 686 HD13 ILE 84 HD13 ILE 84 -0.018 6.170 -0.919 687 H GLN 85 HN GLN 85 3.419 8.235 2.659 688 HA GLN 85 HA GLN 85 5.987 6.710 2.457 689 HB2 GLN 85 HB2 GLN 85 5.262 8.904 4.424 690 HB3 GLN 85 HB1 GLN 85 6.692 7.879 4.552 691 HG2 GLN 85 HG2 GLN 85 7.642 8.759 2.570 692 HG3 GLN 85 HG1 GLN 85 6.106 9.450 2.048 693 HE21 GLN 85 HE21 GLN 85 5.298 11.365 3.292 694 HE22 GLN 85 HE22 GLN 85 6.402 12.349 4.125 695 H ALA 86 HN ALA 86 6.163 6.329 5.283 696 HA ALA 86 HA ALA 86 4.138 4.234 5.600 697 HB1 ALA 86 HB1 ALA 86 5.995 5.034 7.820 698 HB2 ALA 86 HB2 ALA 86 6.687 4.321 6.368 699 HB3 ALA 86 HB3 ALA 86 5.492 3.423 7.304 700 H ASP 87 HN ASP 87 4.168 7.507 6.108 701 HA ASP 87 HA ASP 87 2.602 7.482 8.615 702 HB2 ASP 87 HB2 ASP 87 4.323 9.271 8.017 703 HB3 ASP 87 HB1 ASP 87 3.171 9.833 6.806 704 H ALA 88 HN ALA 88 1.946 6.623 5.651 705 HA ALA 88 HA ALA 88 -0.638 8.092 5.358 706 HB1 ALA 88 HB1 ALA 88 0.532 6.032 3.476 707 HB2 ALA 88 HB2 ALA 88 0.982 7.736 3.409 708 HB3 ALA 88 HB3 ALA 88 -0.691 7.253 3.123 709 H LYS 89 HN LYS 89 -2.311 7.171 6.435 710 HA LYS 89 HA LYS 89 -2.344 4.229 6.884 711 HB2 LYS 89 HB2 LYS 89 -3.780 6.595 8.075 712 HB3 LYS 89 HB1 LYS 89 -4.533 5.021 8.170 713 HG2 LYS 89 HG2 LYS 89 -3.185 5.445 10.181 714 HG3 LYS 89 HG1 LYS 89 -2.536 4.092 9.261 715 HD2 LYS 89 HD2 LYS 89 -0.732 5.600 10.003 716 HD3 LYS 89 HD1 LYS 89 -0.849 5.573 8.247 717 HE2 LYS 89 HE2 LYS 89 -0.627 7.877 9.443 718 HE3 LYS 89 HE1 LYS 89 -1.814 7.713 8.153 719 HZ1 LYS 89 HZ1 LYS 89 -2.641 8.796 10.227 720 HZ2 LYS 89 HZ2 LYS 89 -2.457 7.303 11.017 721 HZ3 LYS 89 HZ3 LYS 89 -3.546 7.453 9.721 722 H LEU 90 HN LEU 90 -3.263 3.094 5.209 723 HA LEU 90 HA LEU 90 -5.288 4.431 3.515 724 HB2 LEU 90 HB2 LEU 90 -3.968 1.722 3.265 725 HB3 LEU 90 HB1 LEU 90 -4.984 2.499 2.052 726 HG LEU 90 HG LEU 90 -2.399 3.645 3.132 727 HD11 LEU 90 HD11 LEU 90 -1.584 3.133 0.784 728 HD12 LEU 90 HD12 LEU 90 -3.046 2.171 0.568 729 HD13 LEU 90 HD13 LEU 90 -1.866 1.717 1.797 730 HD21 LEU 90 HD21 LEU 90 -4.488 4.617 1.211 731 HD22 LEU 90 HD22 LEU 90 -2.805 5.027 0.887 732 HD23 LEU 90 HD23 LEU 90 -3.555 5.517 2.403 733 H GLN 91 HN GLN 91 -7.041 2.979 2.780 734 HA GLN 91 HA GLN 91 -8.182 1.275 4.863 735 HB2 GLN 91 HB2 GLN 91 -9.995 3.090 3.369 736 HB3 GLN 91 HB1 GLN 91 -10.260 2.264 4.875 737 HG2 GLN 91 HG2 GLN 91 -8.998 3.781 6.125 738 HG3 GLN 91 HG1 GLN 91 -8.129 4.386 4.731 739 HE21 GLN 91 HE21 GLN 91 -11.483 4.229 6.019 740 HE22 GLN 91 HE22 GLN 91 -11.950 5.724 5.375 741 H PHE 92 HN PHE 92 -10.092 0.108 3.790 742 HA PHE 92 HA PHE 92 -9.534 -0.517 0.937 743 HB2 PHE 92 HB2 PHE 92 -8.874 -2.315 2.730 744 HB3 PHE 92 HB1 PHE 92 -10.580 -2.586 2.825 745 HD1 PHE 92 HD2 PHE 92 -7.671 -2.667 0.596 746 HD2 PHE 92 HD1 PHE 92 -11.800 -3.695 1.085 747 HE1 PHE 92 HE2 PHE 92 -7.554 -4.088 -1.440 748 HE2 PHE 92 HE1 PHE 92 -11.687 -5.126 -0.935 749 HZ PHE 92 HZ PHE 92 -9.561 -5.322 -2.197 750 H THR 93 HN THR 93 -11.417 -0.913 -0.214 751 HA THR 93 HA THR 93 -14.002 -0.943 1.105 752 HB THR 93 HB THR 93 -13.685 1.358 1.451 753 HG1 THR 93 HG1 THR 93 -14.984 2.260 -0.444 754 HG21 THR 93 HG21 THR 93 -11.739 1.749 0.139 755 HG22 THR 93 HG22 THR 93 -12.976 2.845 -0.481 756 HG23 THR 93 HG23 THR 93 -12.586 1.371 -1.357 757 HA PRO 94 HA PRO 94 -14.964 -2.773 -2.818 758 HB2 PRO 94 HB2 PRO 94 -17.693 -2.642 -2.826 759 HB3 PRO 94 HB1 PRO 94 -16.793 -3.738 -1.757 760 HG2 PRO 94 HG2 PRO 94 -17.987 -1.065 -1.142 761 HG3 PRO 94 HG1 PRO 94 -18.030 -2.561 -0.189 762 HD2 PRO 94 HD2 PRO 94 -16.284 -0.540 0.362 763 HD3 PRO 94 HD1 PRO 94 -15.884 -2.246 0.654 Start of MODEL 5 1 H MET 1 HT1 MET 1 27.986 -15.279 2.571 2 HA MET 1 HA MET 1 28.732 -14.552 4.779 3 HB2 MET 1 HB2 MET 1 31.166 -13.702 3.187 4 HB3 MET 1 HB1 MET 1 30.835 -13.217 4.851 5 HG2 MET 1 HG2 MET 1 31.016 -15.450 5.648 6 HG3 MET 1 HG1 MET 1 30.930 -16.119 4.022 7 HE1 MET 1 HE1 MET 1 32.949 -17.335 5.595 8 HE2 MET 1 HE2 MET 1 33.153 -16.017 6.746 9 HE3 MET 1 HE3 MET 1 34.539 -16.592 5.822 10 H ALA 2 HN ALA 2 29.637 -11.850 4.787 11 HA ALA 2 HA ALA 2 28.590 -10.233 2.704 12 HB1 ALA 2 HB1 ALA 2 26.378 -10.977 3.150 13 HB2 ALA 2 HB2 ALA 2 26.504 -9.444 4.010 14 HB3 ALA 2 HB3 ALA 2 26.639 -10.965 4.894 15 H LEU 3 HN LEU 3 30.186 -8.771 3.164 16 HA LEU 3 HA LEU 3 31.105 -8.073 5.755 17 HB2 LEU 3 HB2 LEU 3 31.126 -6.215 3.365 18 HB3 LEU 3 HB1 LEU 3 32.281 -6.302 4.686 19 HG LEU 3 HG LEU 3 31.818 -8.385 2.543 20 HD11 LEU 3 HD11 LEU 3 34.090 -6.505 3.210 21 HD12 LEU 3 HD12 LEU 3 33.163 -6.593 1.712 22 HD13 LEU 3 HD13 LEU 3 34.278 -7.891 2.137 23 HD21 LEU 3 HD21 LEU 3 33.398 -8.432 5.116 24 HD22 LEU 3 HD22 LEU 3 33.864 -9.440 3.745 25 HD23 LEU 3 HD23 LEU 3 32.278 -9.641 4.489 26 H ASP 4 HN ASP 4 29.524 -5.659 3.730 27 HA ASP 4 HA ASP 4 27.293 -5.187 5.486 28 HB2 ASP 4 HB2 ASP 4 29.058 -4.373 6.985 29 HB3 ASP 4 HB1 ASP 4 29.670 -3.338 5.693 30 H GLY 5 HN GLY 5 29.502 -4.055 3.028 31 HA2 GLY 5 HA2 GLY 5 27.414 -2.243 1.894 32 HA3 GLY 5 HA1 GLY 5 29.131 -2.180 1.508 33 H ILE 6 HN ILE 6 26.837 -4.843 1.644 34 HA ILE 6 HA ILE 6 27.750 -6.503 -0.293 35 HB ILE 6 HB ILE 6 24.878 -5.702 0.112 36 HG12 ILE 6 HG12 ILE 6 26.693 -7.767 1.394 37 HG13 ILE 6 HG11 ILE 6 25.960 -6.374 2.179 38 HG21 ILE 6 HG21 ILE 6 25.288 -7.047 -1.990 39 HG22 ILE 6 HG22 ILE 6 24.328 -7.914 -0.803 40 HG23 ILE 6 HG23 ILE 6 26.039 -8.290 -0.993 41 HD11 ILE 6 HD11 ILE 6 23.706 -7.368 1.624 42 HD12 ILE 6 HD12 ILE 6 24.649 -8.298 2.782 43 HD13 ILE 6 HD13 ILE 6 24.546 -8.824 1.102 44 H ARG 7 HN ARG 7 24.981 -4.844 -1.533 45 HA ARG 7 HA ARG 7 26.493 -3.466 -3.631 46 HB2 ARG 7 HB2 ARG 7 26.391 -5.812 -4.384 47 HB3 ARG 7 HB1 ARG 7 24.659 -5.799 -4.198 48 HG2 ARG 7 HG2 ARG 7 25.110 -5.483 -6.536 49 HG3 ARG 7 HG1 ARG 7 24.524 -3.952 -5.894 50 HD2 ARG 7 HD2 ARG 7 26.549 -3.779 -7.406 51 HD3 ARG 7 HD1 ARG 7 26.740 -3.053 -5.817 52 HE ARG 7 HE ARG 7 28.363 -4.701 -5.308 53 HH11 ARG 7 HH21 ARG 7 26.495 -5.481 -8.099 54 HH12 ARG 7 HH22 ARG 7 27.480 -6.835 -8.544 55 HH21 ARG 7 HH11 ARG 7 29.660 -6.464 -5.874 56 HH22 ARG 7 HH12 ARG 7 29.271 -7.391 -7.285 57 H MET 8 HN MET 8 23.365 -4.711 -2.624 58 HA MET 8 HA MET 8 22.045 -2.181 -3.484 59 HB2 MET 8 HB2 MET 8 20.342 -4.517 -2.798 60 HB3 MET 8 HB1 MET 8 20.266 -3.444 -4.192 61 HG2 MET 8 HG2 MET 8 22.153 -4.627 -5.226 62 HG3 MET 8 HG1 MET 8 22.266 -5.676 -3.814 63 HE1 MET 8 HE1 MET 8 19.107 -5.432 -7.053 64 HE2 MET 8 HE2 MET 8 20.207 -4.192 -6.457 65 HE3 MET 8 HE3 MET 8 18.698 -4.506 -5.602 66 HA PRO 9 HA PRO 9 20.665 -1.144 0.559 67 HB2 PRO 9 HB2 PRO 9 17.952 -2.344 0.073 68 HB3 PRO 9 HB1 PRO 9 18.376 -0.738 0.708 69 HG2 PRO 9 HG2 PRO 9 17.601 -0.898 -1.768 70 HG3 PRO 9 HG1 PRO 9 19.076 0.026 -1.396 71 HD2 PRO 9 HD2 PRO 9 18.867 -2.769 -2.485 72 HD3 PRO 9 HD1 PRO 9 19.890 -1.423 -3.051 73 H ASP 10 HN ASP 10 21.277 -4.173 -0.231 74 HA ASP 10 HA ASP 10 20.160 -5.503 2.178 75 HB2 ASP 10 HB2 ASP 10 20.368 -6.693 -0.056 76 HB3 ASP 10 HB1 ASP 10 22.119 -6.589 0.122 77 H GLY 11 HN GLY 11 22.502 -3.384 1.449 78 HA2 GLY 11 HA2 GLY 11 23.859 -3.443 3.885 79 HA3 GLY 11 HA1 GLY 11 24.820 -4.428 2.786 80 H CYS 12 HN CYS 12 23.872 -2.743 0.470 81 HA CYS 12 HA CYS 12 26.063 -0.939 0.371 82 HB2 CYS 12 HB2 CYS 12 25.165 -1.514 -1.721 83 HB3 CYS 12 HB1 CYS 12 23.516 -1.122 -1.245 84 HG CYS 12 HG CYS 12 25.604 1.187 -1.446 85 H TYR 13 HN TYR 13 22.760 0.342 0.118 86 HA TYR 13 HA TYR 13 23.165 2.033 2.499 87 HB2 TYR 13 HB2 TYR 13 23.992 2.976 -0.025 88 HB3 TYR 13 HB1 TYR 13 22.426 3.743 0.214 89 HD1 TYR 13 HD2 TYR 13 22.029 5.147 2.261 90 HD2 TYR 13 HD1 TYR 13 25.912 3.607 1.260 91 HE1 TYR 13 HE2 TYR 13 23.075 6.778 3.808 92 HE2 TYR 13 HE1 TYR 13 26.958 5.239 2.806 93 HH TYR 13 HH TYR 13 26.594 7.101 4.034 94 H ALA 14 HN ALA 14 21.178 3.291 2.994 95 HA ALA 14 HA ALA 14 18.757 1.807 2.096 96 HB1 ALA 14 HB1 ALA 14 19.064 2.020 4.514 97 HB2 ALA 14 HB2 ALA 14 17.665 2.971 4.015 98 HB3 ALA 14 HB3 ALA 14 19.196 3.772 4.368 99 H ASP 15 HN ASP 15 17.466 2.729 0.580 100 HA ASP 15 HA ASP 15 17.992 5.407 -0.406 101 HB2 ASP 15 HB2 ASP 15 17.201 3.604 -1.895 102 HB3 ASP 15 HB1 ASP 15 15.686 3.526 -0.994 103 H GLY 16 HN GLY 16 16.400 4.392 2.320 104 HA2 GLY 16 HA2 GLY 16 15.122 5.686 3.838 105 HA3 GLY 16 HA1 GLY 16 15.105 6.984 2.649 106 H THR 17 HN THR 17 14.038 3.647 2.292 107 HA THR 17 HA THR 17 11.567 4.484 1.008 108 HB THR 17 HB THR 17 12.260 2.422 0.196 109 HG1 THR 17 HG1 THR 17 10.689 1.085 0.737 110 HG21 THR 17 HG21 THR 17 13.075 1.847 3.036 111 HG22 THR 17 HG22 THR 17 14.095 1.919 1.597 112 HG23 THR 17 HG23 THR 17 12.987 0.568 1.826 113 H TRP 18 HN TRP 18 9.545 3.033 1.924 114 HA TRP 18 HA TRP 18 9.404 3.136 4.863 115 HB2 TRP 18 HB2 TRP 18 7.242 4.635 4.633 116 HB3 TRP 18 HB1 TRP 18 8.827 5.382 4.744 117 HD1 TRP 18 HD1 TRP 18 9.507 6.959 2.865 118 HE1 TRP 18 HE1 TRP 18 8.490 7.648 0.588 119 HE3 TRP 18 HE3 TRP 18 5.746 3.505 2.451 120 HZ2 TRP 18 HZ2 TRP 18 6.384 6.886 -1.128 121 HZ3 TRP 18 HZ3 TRP 18 4.272 3.531 0.447 122 HH2 TRP 18 HH2 TRP 18 4.580 5.209 -1.319 123 H GLU 19 HN GLU 19 6.700 2.934 5.277 124 HA GLU 19 HA GLU 19 5.797 0.769 3.454 125 HB2 GLU 19 HB2 GLU 19 5.406 -0.727 5.156 126 HB3 GLU 19 HB1 GLU 19 6.743 0.135 5.889 127 HG2 GLU 19 HG2 GLU 19 4.775 1.668 6.852 128 HG3 GLU 19 HG1 GLU 19 3.818 0.229 6.555 129 H LEU 20 HN LEU 20 3.473 0.280 4.481 130 HA LEU 20 HA LEU 20 1.937 2.793 4.780 131 HB2 LEU 20 HB2 LEU 20 2.192 1.239 2.346 132 HB3 LEU 20 HB1 LEU 20 0.520 1.164 2.907 133 HG LEU 20 HG LEU 20 0.872 3.055 1.379 134 HD11 LEU 20 HD11 LEU 20 -0.464 4.511 2.559 135 HD12 LEU 20 HD12 LEU 20 0.532 4.442 4.009 136 HD13 LEU 20 HD13 LEU 20 -0.582 3.125 3.641 137 HD21 LEU 20 HD21 LEU 20 2.555 4.513 3.382 138 HD22 LEU 20 HD22 LEU 20 2.507 4.661 1.627 139 HD23 LEU 20 HD23 LEU 20 3.332 3.300 2.369 140 H SER 21 HN SER 21 -0.175 2.406 5.621 141 HA SER 21 HA SER 21 -0.589 -0.310 6.778 142 HB2 SER 21 HB2 SER 21 -1.938 1.141 8.529 143 HB3 SER 21 HB1 SER 21 -0.195 0.966 8.663 144 HG SER 21 HG SER 21 -0.146 3.053 8.507 145 H VAL 22 HN VAL 22 -2.357 -1.275 6.219 146 HA VAL 22 HA VAL 22 -4.545 0.312 4.952 147 HB VAL 22 HB VAL 22 -3.316 -2.322 4.257 148 HG11 VAL 22 HG11 VAL 22 -5.444 -3.028 3.109 149 HG12 VAL 22 HG12 VAL 22 -6.282 -1.781 4.022 150 HG13 VAL 22 HG13 VAL 22 -5.529 -3.132 4.868 151 HG21 VAL 22 HG21 VAL 22 -3.977 -1.544 1.990 152 HG22 VAL 22 HG22 VAL 22 -3.013 -0.343 2.851 153 HG23 VAL 22 HG23 VAL 22 -4.762 -0.142 2.716 154 H HIS 23 HN HIS 23 -6.607 -0.427 5.304 155 HA HIS 23 HA HIS 23 -7.188 -1.869 7.833 156 HB2 HIS 23 HB2 HIS 23 -7.223 0.932 7.550 157 HB3 HIS 23 HB1 HIS 23 -8.915 0.493 7.427 158 HD1 HIS 23 HD1 HIS 23 -5.937 0.000 9.756 159 HD2 HIS 23 HD2 HIS 23 -10.102 -0.132 9.868 160 HE1 HIS 23 HE1 HIS 23 -6.578 -0.306 12.187 161 H VAL 24 HN VAL 24 -8.796 -3.324 7.465 162 HA VAL 24 HA VAL 24 -10.411 -3.034 5.022 163 HB VAL 24 HB VAL 24 -10.680 -5.380 6.841 164 HG11 VAL 24 HG11 VAL 24 -11.952 -4.972 4.625 165 HG12 VAL 24 HG12 VAL 24 -11.197 -6.547 4.855 166 HG13 VAL 24 HG13 VAL 24 -10.427 -5.351 3.834 167 HG21 VAL 24 HG21 VAL 24 -8.322 -5.284 6.818 168 HG22 VAL 24 HG22 VAL 24 -8.268 -4.672 5.166 169 HG23 VAL 24 HG23 VAL 24 -8.691 -6.358 5.472 170 H THR 25 HN THR 25 -12.330 -2.067 5.111 171 HA THR 25 HA THR 25 -13.619 -1.663 7.732 172 HB THR 25 HB THR 25 -15.249 -0.321 6.277 173 HG1 THR 25 HG1 THR 25 -14.761 -0.079 4.202 174 HG21 THR 25 HG21 THR 25 -13.669 1.539 6.055 175 HG22 THR 25 HG22 THR 25 -12.312 0.422 6.201 176 HG23 THR 25 HG23 THR 25 -13.389 0.685 7.573 177 H ASP 26 HN ASP 26 -14.594 -3.040 4.559 178 HA ASP 26 HA ASP 26 -17.117 -4.012 5.556 179 HB2 ASP 26 HB2 ASP 26 -15.459 -4.659 3.115 180 HB3 ASP 26 HB1 ASP 26 -16.975 -5.496 3.450 181 H VAL 27 HN VAL 27 -14.362 -4.849 6.824 182 HA VAL 27 HA VAL 27 -15.238 -7.647 7.344 183 HB VAL 27 HB VAL 27 -12.359 -7.024 6.717 184 HG11 VAL 27 HG11 VAL 27 -12.121 -9.414 6.622 185 HG12 VAL 27 HG12 VAL 27 -13.868 -9.646 6.669 186 HG13 VAL 27 HG13 VAL 27 -13.018 -9.055 8.097 187 HG21 VAL 27 HG21 VAL 27 -12.837 -8.156 4.510 188 HG22 VAL 27 HG22 VAL 27 -13.601 -6.576 4.681 189 HG23 VAL 27 HG23 VAL 27 -14.553 -8.043 4.892 190 H ASN 28 HN ASN 28 -13.458 -4.795 8.262 191 HA ASN 28 HA ASN 28 -13.047 -3.936 10.368 192 HB2 ASN 28 HB2 ASN 28 -15.083 -5.532 10.816 193 HB3 ASN 28 HB1 ASN 28 -13.882 -6.474 11.685 194 HD21 ASN 28 HD21 ASN 28 -15.845 -5.432 13.293 195 HD22 ASN 28 HD22 ASN 28 -15.279 -4.093 14.169 196 H ARG 29 HN ARG 29 -11.249 -5.997 8.876 197 HA ARG 29 HA ARG 29 -9.397 -6.511 11.205 198 HB2 ARG 29 HB2 ARG 29 -8.200 -8.040 9.498 199 HB3 ARG 29 HB1 ARG 29 -9.705 -8.632 10.196 200 HG2 ARG 29 HG2 ARG 29 -10.933 -7.990 8.219 201 HG3 ARG 29 HG1 ARG 29 -9.508 -7.204 7.540 202 HD2 ARG 29 HD2 ARG 29 -9.783 -9.413 6.526 203 HD3 ARG 29 HD1 ARG 29 -8.333 -9.390 7.528 204 HE ARG 29 HE ARG 29 -10.381 -10.300 9.207 205 HH11 ARG 29 HH21 ARG 29 -8.910 -11.172 6.212 206 HH12 ARG 29 HH22 ARG 29 -9.194 -12.868 6.414 207 HH21 ARG 29 HH11 ARG 29 -10.758 -12.511 9.489 208 HH22 ARG 29 HH12 ARG 29 -10.240 -13.626 8.269 209 H ASP 30 HN ASP 30 -6.956 -6.448 10.107 210 HA ASP 30 HA ASP 30 -6.829 -4.182 8.195 211 HB2 ASP 30 HB2 ASP 30 -4.963 -3.305 10.021 212 HB3 ASP 30 HB1 ASP 30 -6.613 -2.696 9.930 213 H VAL 31 HN VAL 31 -4.902 -4.020 7.133 214 HA VAL 31 HA VAL 31 -2.753 -5.985 7.704 215 HB VAL 31 HB VAL 31 -3.975 -5.681 4.946 216 HG11 VAL 31 HG11 VAL 31 -2.223 -7.829 6.170 217 HG12 VAL 31 HG12 VAL 31 -1.619 -6.495 5.188 218 HG13 VAL 31 HG13 VAL 31 -2.696 -7.697 4.477 219 HG21 VAL 31 HG21 VAL 31 -5.737 -6.655 6.231 220 HG22 VAL 31 HG22 VAL 31 -4.614 -7.648 7.159 221 HG23 VAL 31 HG23 VAL 31 -4.922 -8.016 5.467 222 H THR 32 HN THR 32 -0.751 -5.260 6.444 223 HA THR 32 HA THR 32 -0.947 -2.376 5.668 224 HB THR 32 HB THR 32 1.172 -1.997 6.791 225 HG1 THR 32 HG1 THR 32 2.183 -3.928 6.610 226 HG21 THR 32 HG21 THR 32 0.341 -1.906 8.952 227 HG22 THR 32 HG22 THR 32 -0.376 -3.513 8.847 228 HG23 THR 32 HG23 THR 32 -1.157 -2.147 8.052 229 H LEU 33 HN LEU 33 0.466 -1.648 4.103 230 HA LEU 33 HA LEU 33 1.495 -3.786 2.309 231 HB2 LEU 33 HB2 LEU 33 0.641 -0.934 1.921 232 HB3 LEU 33 HB1 LEU 33 1.822 -1.603 0.809 233 HG LEU 33 HG LEU 33 -0.475 -1.808 -0.038 234 HD11 LEU 33 HD11 LEU 33 0.300 -4.633 0.560 235 HD12 LEU 33 HD12 LEU 33 1.456 -3.623 -0.306 236 HD13 LEU 33 HD13 LEU 33 -0.156 -3.883 -0.961 237 HD21 LEU 33 HD21 LEU 33 -2.203 -2.713 1.114 238 HD22 LEU 33 HD22 LEU 33 -1.238 -2.321 2.530 239 HD23 LEU 33 HD23 LEU 33 -1.210 -3.953 1.867 240 H ARG 34 HN ARG 34 3.582 -3.832 1.751 241 HA ARG 34 HA ARG 34 5.473 -1.996 3.207 242 HB2 ARG 34 HB2 ARG 34 5.613 -4.596 3.467 243 HB3 ARG 34 HB1 ARG 34 6.236 -4.566 1.822 244 HG2 ARG 34 HG2 ARG 34 8.147 -4.494 3.273 245 HG3 ARG 34 HG1 ARG 34 7.958 -2.884 2.586 246 HD2 ARG 34 HD2 ARG 34 7.326 -1.947 4.612 247 HD3 ARG 34 HD1 ARG 34 6.589 -3.437 5.200 248 HE ARG 34 HE ARG 34 9.376 -3.897 4.995 249 HH11 ARG 34 HH21 ARG 34 7.100 -1.937 6.689 250 HH12 ARG 34 HH22 ARG 34 8.076 -1.801 8.114 251 HH21 ARG 34 HH11 ARG 34 10.665 -3.729 6.847 252 HH22 ARG 34 HH12 ARG 34 10.094 -2.814 8.202 253 H VAL 35 HN VAL 35 5.386 -0.288 1.648 254 HA VAL 35 HA VAL 35 6.696 -0.935 -0.943 255 HB VAL 35 HB VAL 35 4.920 0.255 -2.181 256 HG11 VAL 35 HG11 VAL 35 3.374 -1.562 -2.225 257 HG12 VAL 35 HG12 VAL 35 3.720 -1.988 -0.553 258 HG13 VAL 35 HG13 VAL 35 4.935 -2.257 -1.804 259 HG21 VAL 35 HG21 VAL 35 3.868 0.643 0.592 260 HG22 VAL 35 HG22 VAL 35 2.666 0.277 -0.641 261 HG23 VAL 35 HG23 VAL 35 3.713 1.679 -0.824 262 H THR 36 HN THR 36 6.534 1.266 -2.313 263 HA THR 36 HA THR 36 7.316 3.561 -0.567 264 HB THR 36 HB THR 36 9.175 4.011 -2.239 265 HG1 THR 36 HG1 THR 36 9.240 2.717 -3.863 266 HG21 THR 36 HG21 THR 36 9.147 1.708 -0.308 267 HG22 THR 36 HG22 THR 36 10.007 3.244 -0.206 268 HG23 THR 36 HG23 THR 36 10.575 1.984 -1.302 269 H GLY 37 HN GLY 37 7.692 5.510 -2.171 270 HA2 GLY 37 HA2 GLY 37 5.215 6.149 -3.370 271 HA3 GLY 37 HA1 GLY 37 6.714 7.015 -3.662 272 H GLU 38 HN GLU 38 7.017 3.735 -4.410 273 HA GLU 38 HA GLU 38 6.883 4.370 -7.316 274 HB2 GLU 38 HB2 GLU 38 8.467 2.606 -7.602 275 HB3 GLU 38 HB1 GLU 38 8.979 3.507 -6.178 276 HG2 GLU 38 HG2 GLU 38 9.116 1.332 -5.356 277 HG3 GLU 38 HG1 GLU 38 7.472 1.765 -4.880 278 H VAL 39 HN VAL 39 5.226 2.495 -4.909 279 HA VAL 39 HA VAL 39 4.320 0.453 -6.784 280 HB VAL 39 HB VAL 39 4.411 -0.113 -4.431 281 HG11 VAL 39 HG11 VAL 39 2.410 2.132 -4.108 282 HG12 VAL 39 HG12 VAL 39 4.007 2.013 -3.400 283 HG13 VAL 39 HG13 VAL 39 2.735 0.929 -2.873 284 HG21 VAL 39 HG21 VAL 39 2.631 -1.093 -5.933 285 HG22 VAL 39 HG22 VAL 39 1.505 0.082 -5.256 286 HG23 VAL 39 HG23 VAL 39 2.245 -1.130 -4.215 287 H HIS 40 HN HIS 40 2.572 0.454 -8.044 288 HA HIS 40 HA HIS 40 1.139 2.927 -8.511 289 HB2 HIS 40 HB2 HIS 40 0.904 0.098 -9.534 290 HB3 HIS 40 HB1 HIS 40 -0.286 1.318 -9.965 291 HD1 HIS 40 HD1 HIS 40 2.348 -0.132 -11.571 292 HD2 HIS 40 HD2 HIS 40 1.635 3.865 -10.623 293 HE1 HIS 40 HE1 HIS 40 3.757 1.244 -13.163 294 H ILE 41 HN ILE 41 -1.086 3.356 -7.988 295 HA ILE 41 HA ILE 41 -2.066 2.307 -5.530 296 HB ILE 41 HB ILE 41 -3.774 3.332 -7.809 297 HG12 ILE 41 HG12 ILE 41 -2.302 4.894 -5.667 298 HG13 ILE 41 HG11 ILE 41 -1.861 4.855 -7.368 299 HG21 ILE 41 HG21 ILE 41 -4.166 3.673 -4.831 300 HG22 ILE 41 HG22 ILE 41 -4.783 2.260 -5.688 301 HG23 ILE 41 HG23 ILE 41 -5.353 3.869 -6.121 302 HD11 ILE 41 HD11 ILE 41 -3.410 6.394 -7.896 303 HD12 ILE 41 HD12 ILE 41 -3.612 6.662 -6.169 304 HD13 ILE 41 HD13 ILE 41 -4.681 5.551 -7.016 305 H GLY 42 HN GLY 42 -2.864 1.599 -8.900 306 HA2 GLY 42 HA2 GLY 42 -4.534 -0.670 -8.361 307 HA3 GLY 42 HA1 GLY 42 -3.716 -0.335 -9.896 308 H GLY 43 HN GLY 43 -1.351 -0.137 -7.640 309 HA2 GLY 43 HA2 GLY 43 -0.542 -2.996 -8.029 310 HA3 GLY 43 HA1 GLY 43 0.583 -1.649 -7.810 311 H VAL 44 HN VAL 44 -1.065 -0.394 -5.736 312 HA VAL 44 HA VAL 44 0.058 -1.668 -3.435 313 HB VAL 44 HB VAL 44 -1.803 0.552 -4.040 314 HG11 VAL 44 HG11 VAL 44 -2.589 0.690 -1.613 315 HG12 VAL 44 HG12 VAL 44 -2.114 -1.001 -1.466 316 HG13 VAL 44 HG13 VAL 44 -3.369 -0.537 -2.611 317 HG21 VAL 44 HG21 VAL 44 0.459 1.061 -3.417 318 HG22 VAL 44 HG22 VAL 44 0.350 0.079 -1.958 319 HG23 VAL 44 HG23 VAL 44 -0.564 1.579 -2.080 320 H MET 45 HN MET 45 -3.081 -1.861 -5.044 321 HA MET 45 HA MET 45 -4.330 -3.630 -3.176 322 HB2 MET 45 HB2 MET 45 -5.139 -4.173 -5.933 323 HB3 MET 45 HB1 MET 45 -6.073 -3.451 -4.631 324 HG2 MET 45 HG2 MET 45 -5.003 -1.263 -5.120 325 HG3 MET 45 HG1 MET 45 -4.145 -2.010 -6.464 326 HE1 MET 45 HE1 MET 45 -6.187 0.445 -6.194 327 HE2 MET 45 HE2 MET 45 -7.501 -0.351 -5.334 328 HE3 MET 45 HE3 MET 45 -7.756 0.219 -6.979 329 H LEU 46 HN LEU 46 -2.517 -4.288 -6.169 330 HA LEU 46 HA LEU 46 -2.653 -7.127 -5.928 331 HB2 LEU 46 HB2 LEU 46 -0.369 -5.563 -7.154 332 HB3 LEU 46 HB1 LEU 46 -0.885 -7.197 -7.564 333 HG LEU 46 HG LEU 46 -2.601 -4.728 -7.918 334 HD11 LEU 46 HD11 LEU 46 -0.506 -4.899 -9.387 335 HD12 LEU 46 HD12 LEU 46 -2.045 -4.765 -10.236 336 HD13 LEU 46 HD13 LEU 46 -1.249 -6.332 -10.095 337 HD21 LEU 46 HD21 LEU 46 -2.925 -7.654 -8.607 338 HD22 LEU 46 HD22 LEU 46 -3.827 -6.407 -9.465 339 HD23 LEU 46 HD23 LEU 46 -4.037 -6.605 -7.728 340 H LYS 47 HN LYS 47 0.050 -4.934 -5.108 341 HA LYS 47 HA LYS 47 1.666 -6.816 -3.842 342 HB2 LYS 47 HB2 LYS 47 2.157 -4.353 -4.209 343 HB3 LYS 47 HB1 LYS 47 1.182 -4.015 -2.795 344 HG2 LYS 47 HG2 LYS 47 3.296 -4.170 -1.826 345 HG3 LYS 47 HG1 LYS 47 2.709 -5.821 -1.644 346 HD2 LYS 47 HD2 LYS 47 4.778 -6.271 -2.610 347 HD3 LYS 47 HD1 LYS 47 3.817 -6.101 -4.078 348 HE2 LYS 47 HE2 LYS 47 5.557 -4.660 -4.590 349 HE3 LYS 47 HE1 LYS 47 4.480 -3.524 -3.776 350 HZ1 LYS 47 HZ1 LYS 47 5.686 -4.139 -1.678 351 HZ2 LYS 47 HZ2 LYS 47 6.597 -3.260 -2.812 352 HZ3 LYS 47 HZ3 LYS 47 6.829 -4.935 -2.646 353 H LEU 48 HN LEU 48 -1.334 -5.406 -2.813 354 HA LEU 48 HA LEU 48 -1.142 -6.523 -0.103 355 HB2 LEU 48 HB2 LEU 48 -2.275 -4.462 -0.230 356 HB3 LEU 48 HB1 LEU 48 -3.236 -4.965 -1.595 357 HG LEU 48 HG LEU 48 -4.515 -6.479 -0.235 358 HD11 LEU 48 HD11 LEU 48 -3.948 -6.409 2.336 359 HD12 LEU 48 HD12 LEU 48 -2.348 -5.933 1.786 360 HD13 LEU 48 HD13 LEU 48 -3.027 -7.472 1.283 361 HD21 LEU 48 HD21 LEU 48 -4.134 -3.979 1.420 362 HD22 LEU 48 HD22 LEU 48 -5.608 -4.916 1.197 363 HD23 LEU 48 HD23 LEU 48 -4.953 -3.970 -0.142 364 H VAL 49 HN VAL 49 -3.335 -6.999 -2.914 365 HA VAL 49 HA VAL 49 -4.593 -9.320 -1.839 366 HB VAL 49 HB VAL 49 -4.038 -8.573 -4.729 367 HG11 VAL 49 HG11 VAL 49 -6.027 -10.150 -5.110 368 HG12 VAL 49 HG12 VAL 49 -5.717 -10.757 -3.483 369 HG13 VAL 49 HG13 VAL 49 -4.482 -10.913 -4.733 370 HG21 VAL 49 HG21 VAL 49 -6.549 -8.017 -4.568 371 HG22 VAL 49 HG22 VAL 49 -5.444 -6.920 -3.727 372 HG23 VAL 49 HG23 VAL 49 -6.344 -8.133 -2.819 373 H GLU 50 HN GLU 50 -1.607 -8.857 -3.653 374 HA GLU 50 HA GLU 50 -0.951 -11.622 -3.962 375 HB2 GLU 50 HB2 GLU 50 0.778 -9.145 -3.758 376 HB3 GLU 50 HB1 GLU 50 1.425 -10.751 -4.099 377 HG2 GLU 50 HG2 GLU 50 0.000 -10.941 -6.068 378 HG3 GLU 50 HG1 GLU 50 -0.733 -9.387 -5.721 379 H LYS 51 HN LYS 51 -0.220 -9.231 -1.385 380 HA LYS 51 HA LYS 51 1.340 -10.935 0.259 381 HB2 LYS 51 HB2 LYS 51 -0.331 -8.503 0.658 382 HB3 LYS 51 HB1 LYS 51 0.014 -9.431 2.100 383 HG2 LYS 51 HG2 LYS 51 2.441 -9.308 1.588 384 HG3 LYS 51 HG1 LYS 51 2.075 -8.357 0.152 385 HD2 LYS 51 HD2 LYS 51 2.738 -6.893 2.023 386 HD3 LYS 51 HD1 LYS 51 1.067 -6.597 1.551 387 HE2 LYS 51 HE2 LYS 51 1.691 -6.876 4.106 388 HE3 LYS 51 HE1 LYS 51 0.202 -7.580 3.479 389 HZ1 LYS 51 HZ1 LYS 51 1.050 -9.681 3.555 390 HZ2 LYS 51 HZ2 LYS 51 1.877 -8.997 4.871 391 HZ3 LYS 51 HZ3 LYS 51 2.658 -9.176 3.374 392 H LEU 52 HN LEU 52 -2.189 -10.273 0.469 393 HA LEU 52 HA LEU 52 -2.589 -12.589 2.220 394 HB2 LEU 52 HB2 LEU 52 -4.666 -10.961 0.732 395 HB3 LEU 52 HB1 LEU 52 -4.945 -12.002 2.124 396 HG LEU 52 HG LEU 52 -3.084 -9.614 2.216 397 HD11 LEU 52 HD11 LEU 52 -4.899 -8.341 3.187 398 HD12 LEU 52 HD12 LEU 52 -5.973 -9.732 3.119 399 HD13 LEU 52 HD13 LEU 52 -5.436 -8.956 1.629 400 HD21 LEU 52 HD21 LEU 52 -4.381 -11.410 4.286 401 HD22 LEU 52 HD22 LEU 52 -3.672 -9.851 4.697 402 HD23 LEU 52 HD23 LEU 52 -2.661 -11.126 4.023 403 H ASP 53 HN ASP 53 -2.007 -14.464 1.056 404 HA ASP 53 HA ASP 53 -3.036 -14.904 -1.653 405 HB2 ASP 53 HB2 ASP 53 -0.835 -15.827 -0.737 406 HB3 ASP 53 HB1 ASP 53 -1.809 -16.970 0.189 407 H VAL 54 HN VAL 54 -5.036 -14.406 0.402 408 HA VAL 54 HA VAL 54 -6.279 -17.019 0.967 409 HB VAL 54 HB VAL 54 -7.254 -14.193 1.490 410 HG11 VAL 54 HG11 VAL 54 -9.161 -15.629 1.455 411 HG12 VAL 54 HG12 VAL 54 -8.729 -15.462 3.156 412 HG13 VAL 54 HG13 VAL 54 -8.290 -16.924 2.275 413 HG21 VAL 54 HG21 VAL 54 -6.619 -14.789 3.854 414 HG22 VAL 54 HG22 VAL 54 -5.242 -14.668 2.760 415 HG23 VAL 54 HG23 VAL 54 -5.860 -16.252 3.227 416 H LYS 55 HN LYS 55 -8.213 -14.262 -0.031 417 HA LYS 55 HA LYS 55 -8.680 -15.149 -2.738 418 HB2 LYS 55 HB2 LYS 55 -9.799 -16.949 -1.255 419 HB3 LYS 55 HB1 LYS 55 -10.983 -15.704 -0.858 420 HG2 LYS 55 HG2 LYS 55 -11.280 -15.378 -3.376 421 HG3 LYS 55 HG1 LYS 55 -10.356 -16.866 -3.578 422 HD2 LYS 55 HD2 LYS 55 -11.998 -18.013 -2.056 423 HD3 LYS 55 HD1 LYS 55 -12.968 -16.540 -2.078 424 HE2 LYS 55 HE2 LYS 55 -13.890 -17.952 -3.771 425 HE3 LYS 55 HE1 LYS 55 -12.953 -16.725 -4.623 426 HZ1 LYS 55 HZ1 LYS 55 -12.671 -19.274 -5.134 427 HZ2 LYS 55 HZ2 LYS 55 -11.584 -19.184 -3.831 428 HZ3 LYS 55 HZ3 LYS 55 -11.355 -18.207 -5.202 429 H LYS 56 HN LYS 56 -8.142 -12.640 -1.641 430 HA LYS 56 HA LYS 56 -10.632 -11.164 -1.261 431 HB2 LYS 56 HB2 LYS 56 -7.985 -10.708 -0.590 432 HB3 LYS 56 HB1 LYS 56 -8.193 -9.608 -1.944 433 HG2 LYS 56 HG2 LYS 56 -8.857 -8.291 -0.115 434 HG3 LYS 56 HG1 LYS 56 -10.394 -8.895 -0.731 435 HD2 LYS 56 HD2 LYS 56 -10.630 -9.384 1.538 436 HD3 LYS 56 HD1 LYS 56 -9.940 -10.898 0.951 437 HE2 LYS 56 HE2 LYS 56 -8.572 -10.440 2.791 438 HE3 LYS 56 HE1 LYS 56 -7.640 -9.720 1.479 439 HZ1 LYS 56 HZ1 LYS 56 -8.307 -7.595 2.062 440 HZ2 LYS 56 HZ2 LYS 56 -8.070 -8.337 3.572 441 HZ3 LYS 56 HZ3 LYS 56 -9.642 -8.136 2.957 442 H ASP 57 HN ASP 57 -11.226 -9.355 -2.672 443 HA ASP 57 HA ASP 57 -11.461 -10.238 -5.402 444 HB2 ASP 57 HB2 ASP 57 -12.028 -7.421 -4.520 445 HB3 ASP 57 HB1 ASP 57 -12.900 -8.425 -5.676 446 H TRP 58 HN TRP 58 -10.626 -9.161 -7.284 447 HA TRP 58 HA TRP 58 -7.967 -7.907 -6.855 448 HB2 TRP 58 HB2 TRP 58 -7.886 -9.894 -8.196 449 HB3 TRP 58 HB1 TRP 58 -9.254 -9.385 -9.161 450 HD1 TRP 58 HD1 TRP 58 -6.573 -6.822 -8.374 451 HE1 TRP 58 HE1 TRP 58 -5.290 -6.257 -10.534 452 HE3 TRP 58 HE3 TRP 58 -8.465 -10.402 -11.483 453 HZ2 TRP 58 HZ2 TRP 58 -5.092 -7.199 -13.229 454 HZ3 TRP 58 HZ3 TRP 58 -7.714 -10.546 -13.839 455 HH2 TRP 58 HH2 TRP 58 -6.031 -8.950 -14.716 456 H SER 59 HN SER 59 -9.596 -7.722 -9.840 457 HA SER 59 HA SER 59 -9.258 -4.893 -10.118 458 HB2 SER 59 HB2 SER 59 -11.097 -6.722 -11.679 459 HB3 SER 59 HB1 SER 59 -10.538 -5.132 -12.190 460 HG SER 59 HG SER 59 -9.142 -6.551 -13.101 461 H ASP 60 HN ASP 60 -11.363 -6.254 -8.029 462 HA ASP 60 HA ASP 60 -13.506 -4.197 -8.537 463 HB2 ASP 60 HB2 ASP 60 -14.130 -6.662 -8.664 464 HB3 ASP 60 HB1 ASP 60 -13.786 -6.729 -6.936 465 H HIS 61 HN HIS 61 -11.088 -5.256 -6.308 466 HA HIS 61 HA HIS 61 -12.331 -4.289 -3.920 467 HB2 HIS 61 HB2 HIS 61 -9.983 -4.291 -3.020 468 HB3 HIS 61 HB1 HIS 61 -10.533 -5.831 -3.660 469 HD1 HIS 61 HD1 HIS 61 -8.285 -6.735 -4.410 470 HD2 HIS 61 HD2 HIS 61 -9.051 -2.949 -5.974 471 HE1 HIS 61 HE1 HIS 61 -6.465 -6.269 -6.106 472 H ALA 62 HN ALA 62 -11.083 -2.528 -2.606 473 HA ALA 62 HA ALA 62 -10.022 -0.289 -4.167 474 HB1 ALA 62 HB1 ALA 62 -11.858 1.285 -3.477 475 HB2 ALA 62 HB2 ALA 62 -12.791 -0.114 -2.949 476 HB3 ALA 62 HB3 ALA 62 -12.371 0.074 -4.652 477 H LEU 63 HN LEU 63 -9.164 1.396 -2.750 478 HA LEU 63 HA LEU 63 -8.942 0.516 0.088 479 HB2 LEU 63 HB2 LEU 63 -7.280 2.538 -1.421 480 HB3 LEU 63 HB1 LEU 63 -6.955 1.908 0.185 481 HG LEU 63 HG LEU 63 -5.504 0.759 -1.296 482 HD11 LEU 63 HD11 LEU 63 -6.021 -1.485 -0.851 483 HD12 LEU 63 HD12 LEU 63 -7.757 -1.196 -0.952 484 HD13 LEU 63 HD13 LEU 63 -6.837 -0.581 0.422 485 HD21 LEU 63 HD21 LEU 63 -7.148 1.271 -3.337 486 HD22 LEU 63 HD22 LEU 63 -7.682 -0.377 -3.008 487 HD23 LEU 63 HD23 LEU 63 -5.992 -0.060 -3.401 488 H TRP 64 HN TRP 64 -10.225 1.633 1.533 489 HA TRP 64 HA TRP 64 -11.275 4.267 0.678 490 HB2 TRP 64 HB2 TRP 64 -12.191 2.211 2.399 491 HB3 TRP 64 HB1 TRP 64 -11.793 3.524 3.477 492 HD1 TRP 64 HD1 TRP 64 -13.382 3.728 -0.059 493 HE1 TRP 64 HE1 TRP 64 -15.609 4.999 0.139 494 HE3 TRP 64 HE3 TRP 64 -13.567 4.410 5.001 495 HZ2 TRP 64 HZ2 TRP 64 -17.258 6.151 2.168 496 HZ3 TRP 64 HZ3 TRP 64 -15.480 5.594 6.038 497 HH2 TRP 64 HH2 TRP 64 -17.325 6.465 4.629 498 H TRP 65 HN TRP 65 -10.214 6.128 1.153 499 HA TRP 65 HA TRP 65 -7.828 5.991 2.896 500 HB2 TRP 65 HB2 TRP 65 -8.042 7.232 0.612 501 HB3 TRP 65 HB1 TRP 65 -8.858 8.485 1.536 502 HD1 TRP 65 HD1 TRP 65 -6.683 7.548 4.081 503 HE1 TRP 65 HE1 TRP 65 -4.422 8.757 4.038 504 HE3 TRP 65 HE3 TRP 65 -6.694 9.287 -0.727 505 HZ2 TRP 65 HZ2 TRP 65 -2.820 10.264 2.224 506 HZ3 TRP 65 HZ3 TRP 65 -4.783 10.611 -1.579 507 HH2 TRP 65 HH2 TRP 65 -2.848 11.102 -0.111 508 H GLU 66 HN GLU 66 -8.065 6.404 5.073 509 HA GLU 66 HA GLU 66 -10.465 7.544 6.177 510 HB2 GLU 66 HB2 GLU 66 -9.154 7.608 8.302 511 HB3 GLU 66 HB1 GLU 66 -9.086 6.042 7.501 512 HG2 GLU 66 HG2 GLU 66 -6.824 6.310 7.898 513 HG3 GLU 66 HG1 GLU 66 -6.903 7.147 6.360 514 H LYS 67 HN LYS 67 -7.515 8.913 4.934 515 HA LYS 67 HA LYS 67 -7.221 11.339 6.213 516 HB2 LYS 67 HB2 LYS 67 -5.796 10.739 4.384 517 HB3 LYS 67 HB1 LYS 67 -7.156 10.728 3.259 518 HG2 LYS 67 HG2 LYS 67 -7.388 13.061 3.307 519 HG3 LYS 67 HG1 LYS 67 -6.486 13.217 4.815 520 HD2 LYS 67 HD2 LYS 67 -4.411 12.908 3.771 521 HD3 LYS 67 HD1 LYS 67 -5.126 12.113 2.372 522 HE2 LYS 67 HE2 LYS 67 -5.806 14.128 1.405 523 HE3 LYS 67 HE1 LYS 67 -5.846 14.971 2.954 524 HZ1 LYS 67 HZ1 LYS 67 -3.251 14.199 2.692 525 HZ2 LYS 67 HZ2 LYS 67 -3.862 15.755 2.389 526 HZ3 LYS 67 HZ3 LYS 67 -3.678 14.648 1.113 527 H LYS 68 HN LYS 68 -9.529 10.732 3.533 528 HA LYS 68 HA LYS 68 -11.402 12.667 4.737 529 HB2 LYS 68 HB2 LYS 68 -11.532 14.105 2.797 530 HB3 LYS 68 HB1 LYS 68 -9.842 14.025 3.294 531 HG2 LYS 68 HG2 LYS 68 -9.585 12.121 1.604 532 HG3 LYS 68 HG1 LYS 68 -11.168 12.593 0.987 533 HD2 LYS 68 HD2 LYS 68 -10.360 14.848 0.520 534 HD3 LYS 68 HD1 LYS 68 -8.793 14.461 1.232 535 HE2 LYS 68 HE2 LYS 68 -9.921 12.877 -1.081 536 HE3 LYS 68 HE1 LYS 68 -8.960 14.334 -1.332 537 HZ1 LYS 68 HZ1 LYS 68 -7.798 12.045 -1.235 538 HZ2 LYS 68 HZ2 LYS 68 -7.966 12.212 0.448 539 HZ3 LYS 68 HZ3 LYS 68 -7.092 13.367 -0.440 540 H ARG 69 HN ARG 69 -11.174 9.762 3.909 541 HA ARG 69 HA ARG 69 -12.560 8.116 3.015 542 HB2 ARG 69 HB2 ARG 69 -14.463 10.427 3.374 543 HB3 ARG 69 HB1 ARG 69 -15.014 8.954 2.594 544 HG2 ARG 69 HG2 ARG 69 -15.534 8.734 4.920 545 HG3 ARG 69 HG1 ARG 69 -14.151 7.686 4.619 546 HD2 ARG 69 HD2 ARG 69 -13.851 9.021 6.680 547 HD3 ARG 69 HD1 ARG 69 -12.633 9.416 5.470 548 HE ARG 69 HE ARG 69 -14.549 11.292 4.955 549 HH11 ARG 69 HH21 ARG 69 -13.053 10.140 7.842 550 HH12 ARG 69 HH22 ARG 69 -13.205 11.648 8.680 551 HH21 ARG 69 HH11 ARG 69 -14.756 13.267 6.035 552 HH22 ARG 69 HH12 ARG 69 -14.167 13.418 7.656 553 H THR 70 HN THR 70 -11.119 8.321 1.153 554 HA THR 70 HA THR 70 -12.667 8.987 -1.292 555 HB THR 70 HB THR 70 -10.777 10.727 -0.363 556 HG1 THR 70 HG1 THR 70 -10.603 11.136 -2.804 557 HG21 THR 70 HG21 THR 70 -8.996 8.959 -0.728 558 HG22 THR 70 HG22 THR 70 -8.712 10.480 -1.569 559 HG23 THR 70 HG23 THR 70 -9.324 9.083 -2.455 560 H TRP 71 HN TRP 71 -12.380 7.460 -2.871 561 HA TRP 71 HA TRP 71 -10.821 5.081 -2.161 562 HB2 TRP 71 HB2 TRP 71 -12.175 5.338 -4.820 563 HB3 TRP 71 HB1 TRP 71 -12.070 3.953 -3.746 564 HD1 TRP 71 HD1 TRP 71 -14.077 3.480 -2.262 565 HE1 TRP 71 HE1 TRP 71 -16.244 4.735 -1.654 566 HE3 TRP 71 HE3 TRP 71 -13.145 7.982 -4.489 567 HZ2 TRP 71 HZ2 TRP 71 -17.428 7.305 -2.061 568 HZ3 TRP 71 HZ3 TRP 71 -14.812 9.812 -4.367 569 HH2 TRP 71 HH2 TRP 71 -16.950 9.479 -3.157 570 H LEU 72 HN LEU 72 -9.151 4.232 -3.387 571 HA LEU 72 HA LEU 72 -7.736 6.133 -5.221 572 HB2 LEU 72 HB2 LEU 72 -6.360 3.746 -4.014 573 HB3 LEU 72 HB1 LEU 72 -5.713 5.343 -4.393 574 HG LEU 72 HG LEU 72 -7.642 4.787 -2.133 575 HD11 LEU 72 HD11 LEU 72 -5.361 3.741 -1.915 576 HD12 LEU 72 HD12 LEU 72 -5.791 4.899 -0.662 577 HD13 LEU 72 HD13 LEU 72 -4.696 5.374 -1.958 578 HD21 LEU 72 HD21 LEU 72 -5.980 7.206 -2.898 579 HD22 LEU 72 HD22 LEU 72 -6.975 7.076 -1.450 580 HD23 LEU 72 HD23 LEU 72 -7.731 7.078 -3.042 581 H LEU 73 HN LEU 73 -8.491 5.527 -7.229 582 HA LEU 73 HA LEU 73 -8.749 2.633 -7.848 583 HB2 LEU 73 HB2 LEU 73 -9.682 4.851 -9.642 584 HB3 LEU 73 HB1 LEU 73 -10.348 3.238 -9.422 585 HG LEU 73 HG LEU 73 -10.470 5.500 -7.403 586 HD11 LEU 73 HD11 LEU 73 -12.482 4.269 -9.281 587 HD12 LEU 73 HD12 LEU 73 -11.992 5.958 -9.153 588 HD13 LEU 73 HD13 LEU 73 -12.958 5.221 -7.875 589 HD21 LEU 73 HD21 LEU 73 -10.539 3.673 -5.977 590 HD22 LEU 73 HD22 LEU 73 -11.100 2.569 -7.232 591 HD23 LEU 73 HD23 LEU 73 -12.232 3.678 -6.460 592 H LYS 74 HN LYS 74 -7.757 5.502 -9.768 593 HA LYS 74 HA LYS 74 -6.398 3.883 -11.634 594 HB2 LYS 74 HB2 LYS 74 -5.876 5.819 -12.801 595 HB3 LYS 74 HB1 LYS 74 -7.369 6.200 -11.961 596 HG2 LYS 74 HG2 LYS 74 -4.728 6.909 -10.683 597 HG3 LYS 74 HG1 LYS 74 -5.388 7.913 -11.946 598 HD2 LYS 74 HD2 LYS 74 -6.208 8.880 -9.985 599 HD3 LYS 74 HD1 LYS 74 -7.561 7.961 -10.576 600 HE2 LYS 74 HE2 LYS 74 -7.619 6.770 -8.643 601 HE3 LYS 74 HE1 LYS 74 -5.934 6.321 -8.823 602 HZ1 LYS 74 HZ1 LYS 74 -7.043 8.735 -7.542 603 HZ2 LYS 74 HZ2 LYS 74 -5.408 8.618 -7.989 604 HZ3 LYS 74 HZ3 LYS 74 -6.060 7.538 -6.851 605 H THR 75 HN THR 75 -4.251 3.607 -12.130 606 HA THR 75 HA THR 75 -2.458 3.477 -9.815 607 HB THR 75 HB THR 75 -2.174 1.630 -11.245 608 HG1 THR 75 HG1 THR 75 -0.312 3.171 -12.609 609 HG21 THR 75 HG21 THR 75 -2.577 3.649 -13.451 610 HG22 THR 75 HG22 THR 75 -3.508 2.191 -13.099 611 HG23 THR 75 HG23 THR 75 -1.889 2.058 -13.783 612 H HIS 76 HN HIS 76 -2.834 5.317 -12.781 613 HA HIS 76 HA HIS 76 -0.507 6.731 -13.101 614 HB2 HIS 76 HB2 HIS 76 -2.632 7.015 -14.403 615 HB3 HIS 76 HB1 HIS 76 -3.239 8.014 -13.081 616 HD1 HIS 76 HD1 HIS 76 -1.127 8.132 -16.087 617 HD2 HIS 76 HD2 HIS 76 -1.621 10.445 -12.654 618 HE1 HIS 76 HE1 HIS 76 -0.025 10.362 -16.562 619 H TRP 77 HN TRP 77 -2.507 6.866 -10.305 620 HA TRP 77 HA TRP 77 -1.082 9.319 -9.331 621 HB2 TRP 77 HB2 TRP 77 -3.833 8.409 -9.146 622 HB3 TRP 77 HB1 TRP 77 -3.190 8.707 -7.546 623 HD1 TRP 77 HD1 TRP 77 -2.791 11.154 -6.814 624 HE1 TRP 77 HE1 TRP 77 -3.256 13.447 -7.895 625 HE3 TRP 77 HE3 TRP 77 -3.906 9.678 -11.574 626 HZ2 TRP 77 HZ2 TRP 77 -4.001 14.514 -10.438 627 HZ3 TRP 77 HZ3 TRP 77 -4.490 11.353 -13.304 628 HH2 TRP 77 HH2 TRP 77 -4.539 13.767 -12.743 629 H THR 78 HN THR 78 0.643 7.572 -9.092 630 HA THR 78 HA THR 78 0.680 5.497 -7.261 631 HB THR 78 HB THR 78 3.037 7.355 -7.174 632 HG1 THR 78 HG1 THR 78 3.561 6.868 -9.299 633 HG21 THR 78 HG21 THR 78 4.273 5.303 -7.546 634 HG22 THR 78 HG22 THR 78 2.783 4.431 -7.889 635 HG23 THR 78 HG23 THR 78 3.093 5.042 -6.265 636 H LEU 79 HN LEU 79 1.904 5.681 -5.082 637 HA LEU 79 HA LEU 79 0.306 7.153 -3.249 638 HB2 LEU 79 HB2 LEU 79 2.970 5.768 -3.122 639 HB3 LEU 79 HB1 LEU 79 2.331 6.603 -1.713 640 HG LEU 79 HG LEU 79 0.406 5.215 -1.662 641 HD11 LEU 79 HD11 LEU 79 0.124 3.372 -3.381 642 HD12 LEU 79 HD12 LEU 79 1.349 4.188 -4.339 643 HD13 LEU 79 HD13 LEU 79 -0.174 5.000 -3.977 644 HD21 LEU 79 HD21 LEU 79 2.295 4.155 -0.635 645 HD22 LEU 79 HD22 LEU 79 2.957 3.676 -2.197 646 HD23 LEU 79 HD23 LEU 79 1.493 2.903 -1.581 647 H ASP 80 HN ASP 80 3.666 7.582 -4.239 648 HA ASP 80 HA ASP 80 4.041 10.068 -2.948 649 HB2 ASP 80 HB2 ASP 80 6.038 9.233 -3.703 650 HB3 ASP 80 HB1 ASP 80 5.351 8.574 -5.168 651 H LYS 81 HN LYS 81 2.630 9.265 -6.110 652 HA LYS 81 HA LYS 81 2.485 11.875 -7.188 653 HB2 LYS 81 HB2 LYS 81 1.040 9.369 -7.582 654 HB3 LYS 81 HB1 LYS 81 -0.034 10.733 -7.792 655 HG2 LYS 81 HG2 LYS 81 0.801 10.486 -9.944 656 HG3 LYS 81 HG1 LYS 81 1.895 11.684 -9.315 657 HD2 LYS 81 HD2 LYS 81 3.662 10.308 -9.743 658 HD3 LYS 81 HD1 LYS 81 2.999 9.110 -8.650 659 HE2 LYS 81 HE2 LYS 81 3.271 8.118 -10.857 660 HE3 LYS 81 HE1 LYS 81 1.554 8.267 -10.467 661 HZ1 LYS 81 HZ1 LYS 81 3.155 9.756 -12.412 662 HZ2 LYS 81 HZ2 LYS 81 1.873 10.566 -11.646 663 HZ3 LYS 81 HZ3 LYS 81 1.575 9.156 -12.546 664 H TYR 82 HN TYR 82 0.344 10.272 -4.896 665 HA TYR 82 HA TYR 82 -1.328 12.644 -4.559 666 HB2 TYR 82 HB2 TYR 82 -1.212 9.892 -3.498 667 HB3 TYR 82 HB1 TYR 82 -1.664 11.057 -2.260 668 HD1 TYR 82 HD2 TYR 82 -3.466 12.857 -3.032 669 HD2 TYR 82 HD1 TYR 82 -2.904 9.012 -4.866 670 HE1 TYR 82 HE2 TYR 82 -5.764 12.961 -3.956 671 HE2 TYR 82 HE1 TYR 82 -5.202 9.118 -5.791 672 HH TYR 82 HH TYR 82 -6.845 11.333 -6.379 673 H GLY 83 HN GLY 83 1.683 11.486 -3.368 674 HA2 GLY 83 HA2 GLY 83 3.279 12.829 -2.152 675 HA3 GLY 83 HA1 GLY 83 1.967 13.921 -1.675 676 H ILE 84 HN ILE 84 1.985 10.453 -1.607 677 HA ILE 84 HA ILE 84 1.102 10.466 1.206 678 HB ILE 84 HB ILE 84 1.177 8.526 -1.068 679 HG12 ILE 84 HG12 ILE 84 -0.940 8.930 1.045 680 HG13 ILE 84 HG11 ILE 84 -0.804 9.983 -0.363 681 HG21 ILE 84 HG21 ILE 84 0.502 6.689 0.532 682 HG22 ILE 84 HG22 ILE 84 1.146 7.699 1.826 683 HG23 ILE 84 HG23 ILE 84 2.210 7.124 0.542 684 HD11 ILE 84 HD11 ILE 84 -2.402 7.954 -0.541 685 HD12 ILE 84 HD12 ILE 84 -0.936 6.982 -0.668 686 HD13 ILE 84 HD13 ILE 84 -1.277 8.224 -1.871 687 H GLN 85 HN GLN 85 2.186 9.495 2.899 688 HA GLN 85 HA GLN 85 4.994 8.576 2.440 689 HB2 GLN 85 HB2 GLN 85 3.996 10.427 4.627 690 HB3 GLN 85 HB1 GLN 85 5.612 9.722 4.564 691 HG2 GLN 85 HG2 GLN 85 6.179 10.916 2.595 692 HG3 GLN 85 HG1 GLN 85 4.494 11.320 2.267 693 HE21 GLN 85 HE21 GLN 85 3.518 13.071 3.508 694 HE22 GLN 85 HE22 GLN 85 4.460 14.131 4.440 695 H ALA 86 HN ALA 86 5.439 8.055 5.217 696 HA ALA 86 HA ALA 86 3.900 5.572 5.471 697 HB1 ALA 86 HB1 ALA 86 6.438 6.202 6.128 698 HB2 ALA 86 HB2 ALA 86 5.551 4.916 6.943 699 HB3 ALA 86 HB3 ALA 86 5.678 6.512 7.685 700 H ASP 87 HN ASP 87 3.381 8.759 6.317 701 HA ASP 87 HA ASP 87 2.002 8.198 8.867 702 HB2 ASP 87 HB2 ASP 87 3.323 10.332 8.366 703 HB3 ASP 87 HB1 ASP 87 1.993 10.778 7.298 704 H ALA 88 HN ALA 88 1.322 7.516 5.866 705 HA ALA 88 HA ALA 88 -1.487 8.507 5.820 706 HB1 ALA 88 HB1 ALA 88 -1.526 7.871 3.537 707 HB2 ALA 88 HB2 ALA 88 -0.154 6.779 3.730 708 HB3 ALA 88 HB3 ALA 88 0.093 8.524 3.784 709 H LYS 89 HN LYS 89 -2.923 7.249 6.897 710 HA LYS 89 HA LYS 89 -2.437 4.320 7.134 711 HB2 LYS 89 HB2 LYS 89 -4.158 6.325 8.587 712 HB3 LYS 89 HB1 LYS 89 -4.623 4.641 8.607 713 HG2 LYS 89 HG2 LYS 89 -3.224 5.153 10.560 714 HG3 LYS 89 HG1 LYS 89 -2.417 4.007 9.495 715 HD2 LYS 89 HD2 LYS 89 -0.858 5.764 10.255 716 HD3 LYS 89 HD1 LYS 89 -1.089 5.828 8.511 717 HE2 LYS 89 HE2 LYS 89 -1.198 8.053 9.875 718 HE3 LYS 89 HE1 LYS 89 -2.406 7.764 8.627 719 HZ1 LYS 89 HZ1 LYS 89 -3.149 8.508 10.970 720 HZ2 LYS 89 HZ2 LYS 89 -2.912 6.877 11.385 721 HZ3 LYS 89 HZ3 LYS 89 -4.024 7.294 10.170 722 H LEU 90 HN LEU 90 -3.168 3.307 5.280 723 HA LEU 90 HA LEU 90 -5.551 4.324 3.892 724 HB2 LEU 90 HB2 LEU 90 -3.815 1.908 3.352 725 HB3 LEU 90 HB1 LEU 90 -5.054 2.548 2.276 726 HG LEU 90 HG LEU 90 -2.644 4.107 3.238 727 HD11 LEU 90 HD11 LEU 90 -1.815 2.412 1.778 728 HD12 LEU 90 HD12 LEU 90 -1.964 3.860 0.783 729 HD13 LEU 90 HD13 LEU 90 -3.182 2.589 0.679 730 HD21 LEU 90 HD21 LEU 90 -5.011 4.738 1.503 731 HD22 LEU 90 HD22 LEU 90 -3.461 5.473 1.097 732 HD23 LEU 90 HD23 LEU 90 -4.180 5.752 2.680 733 H GLN 91 HN GLN 91 -7.085 2.623 3.163 734 HA GLN 91 HA GLN 91 -7.749 0.636 5.205 735 HB2 GLN 91 HB2 GLN 91 -9.960 2.201 3.976 736 HB3 GLN 91 HB1 GLN 91 -9.963 1.237 5.423 737 HG2 GLN 91 HG2 GLN 91 -8.774 2.836 6.679 738 HG3 GLN 91 HG1 GLN 91 -8.276 3.731 5.255 739 HE21 GLN 91 HE21 GLN 91 -11.513 2.495 6.208 740 HE22 GLN 91 HE22 GLN 91 -12.269 4.010 6.147 741 H PHE 92 HN PHE 92 -9.487 -0.813 4.196 742 HA PHE 92 HA PHE 92 -9.028 -1.181 1.284 743 HB2 PHE 92 HB2 PHE 92 -7.859 -2.849 2.847 744 HB3 PHE 92 HB1 PHE 92 -9.444 -3.431 3.205 745 HD1 PHE 92 HD1 PHE 92 -6.922 -3.053 0.599 746 HD2 PHE 92 HD2 PHE 92 -10.748 -4.691 1.604 747 HE1 PHE 92 HE1 PHE 92 -6.844 -4.464 -1.440 748 HE2 PHE 92 HE2 PHE 92 -10.681 -6.107 -0.431 749 HZ PHE 92 HZ PHE 92 -8.725 -5.996 -1.951 750 H THR 93 HN THR 93 -10.846 -1.905 0.225 751 HA THR 93 HA THR 93 -13.274 -2.552 1.658 752 HB THR 93 HB THR 93 -13.461 -0.289 2.174 753 HG1 THR 93 HG1 THR 93 -14.921 0.439 0.249 754 HG21 THR 93 HG21 THR 93 -12.503 0.211 -0.647 755 HG22 THR 93 HG22 THR 93 -11.647 0.564 0.854 756 HG23 THR 93 HG23 THR 93 -13.094 1.475 0.423 757 HA PRO 94 HA PRO 94 -13.858 -4.655 -2.270 758 HB2 PRO 94 HB2 PRO 94 -16.751 -4.062 -1.688 759 HB3 PRO 94 HB1 PRO 94 -16.003 -5.579 -2.233 760 HG2 PRO 94 HG2 PRO 94 -16.716 -5.208 0.318 761 HG3 PRO 94 HG1 PRO 94 -15.269 -6.132 -0.122 762 HD2 PRO 94 HD2 PRO 94 -15.452 -3.425 1.102 763 HD3 PRO 94 HD1 PRO 94 -14.124 -4.606 1.160 Start of MODEL 6 1 H MET 1 HT1 MET 1 33.624 9.098 -1.239 2 HA MET 1 HA MET 1 34.598 7.673 -2.950 3 HB2 MET 1 HB2 MET 1 35.759 6.283 -0.520 4 HB3 MET 1 HB1 MET 1 35.769 5.614 -2.153 5 HG2 MET 1 HG2 MET 1 37.174 7.348 -2.970 6 HG3 MET 1 HG1 MET 1 36.913 8.340 -1.538 7 HE1 MET 1 HE1 MET 1 40.477 7.842 -0.897 8 HE2 MET 1 HE2 MET 1 39.226 8.741 -1.751 9 HE3 MET 1 HE3 MET 1 40.113 7.469 -2.588 10 H ALA 2 HN ALA 2 34.146 4.902 -2.494 11 HA ALA 2 HA ALA 2 32.059 4.065 -0.904 12 HB1 ALA 2 HB1 ALA 2 31.094 5.794 -3.161 13 HB2 ALA 2 HB2 ALA 2 30.432 5.611 -1.536 14 HB3 ALA 2 HB3 ALA 2 30.145 4.364 -2.748 15 H LEU 3 HN LEU 3 32.815 2.024 -1.245 16 HA LEU 3 HA LEU 3 33.871 0.932 -3.578 17 HB2 LEU 3 HB2 LEU 3 32.172 -0.486 -1.506 18 HB3 LEU 3 HB1 LEU 3 33.279 -1.257 -2.635 19 HG LEU 3 HG LEU 3 34.096 0.814 -0.584 20 HD11 LEU 3 HD11 LEU 3 35.035 -1.043 0.686 21 HD12 LEU 3 HD12 LEU 3 34.508 -2.190 -0.545 22 HD13 LEU 3 HD13 LEU 3 33.314 -1.329 0.427 23 HD21 LEU 3 HD21 LEU 3 36.391 -0.357 -1.197 24 HD22 LEU 3 HD22 LEU 3 35.745 0.908 -2.235 25 HD23 LEU 3 HD23 LEU 3 35.547 -0.785 -2.686 26 H ASP 4 HN ASP 4 30.828 -0.518 -2.657 27 HA ASP 4 HA ASP 4 29.257 0.530 -4.823 28 HB2 ASP 4 HB2 ASP 4 30.762 -0.670 -6.263 29 HB3 ASP 4 HB1 ASP 4 30.691 -2.092 -5.223 30 H GLY 5 HN GLY 5 29.878 -2.055 -2.526 31 HA2 GLY 5 HA2 GLY 5 27.306 -3.291 -2.651 32 HA3 GLY 5 HA1 GLY 5 28.399 -3.381 -1.270 33 H ILE 6 HN ILE 6 28.512 -0.509 -0.904 34 HA ILE 6 HA ILE 6 26.353 -0.134 0.916 35 HB ILE 6 HB ILE 6 27.973 2.054 -0.394 36 HG12 ILE 6 HG12 ILE 6 28.694 0.229 1.922 37 HG13 ILE 6 HG11 ILE 6 29.506 0.302 0.360 38 HG21 ILE 6 HG21 ILE 6 26.032 2.648 1.106 39 HG22 ILE 6 HG22 ILE 6 27.588 3.243 1.674 40 HG23 ILE 6 HG23 ILE 6 26.866 1.816 2.416 41 HD11 ILE 6 HD11 ILE 6 30.855 1.611 1.818 42 HD12 ILE 6 HD12 ILE 6 29.450 2.408 2.525 43 HD13 ILE 6 HD13 ILE 6 29.934 2.779 0.870 44 H ARG 7 HN ARG 7 26.588 0.357 -2.477 45 HA ARG 7 HA ARG 7 24.646 2.381 -2.878 46 HB2 ARG 7 HB2 ARG 7 26.051 1.580 -4.702 47 HB3 ARG 7 HB1 ARG 7 25.355 -0.023 -4.574 48 HG2 ARG 7 HG2 ARG 7 24.411 1.337 -6.462 49 HG3 ARG 7 HG1 ARG 7 23.196 0.766 -5.322 50 HD2 ARG 7 HD2 ARG 7 22.876 2.893 -4.401 51 HD3 ARG 7 HD1 ARG 7 24.465 3.456 -4.916 52 HE ARG 7 HE ARG 7 23.533 4.026 -7.012 53 HH11 ARG 7 HH21 ARG 7 21.475 1.964 -5.168 54 HH12 ARG 7 HH22 ARG 7 20.142 2.091 -6.267 55 HH21 ARG 7 HH11 ARG 7 21.804 4.202 -8.458 56 HH22 ARG 7 HH12 ARG 7 20.329 3.356 -8.129 57 H MET 8 HN MET 8 24.298 -1.116 -2.693 58 HA MET 8 HA MET 8 21.332 -0.802 -2.432 59 HB2 MET 8 HB2 MET 8 21.107 -2.798 -3.662 60 HB3 MET 8 HB1 MET 8 22.491 -2.041 -4.411 61 HG2 MET 8 HG2 MET 8 24.019 -3.386 -3.050 62 HG3 MET 8 HG1 MET 8 22.653 -4.172 -2.269 63 HE1 MET 8 HE1 MET 8 24.121 -3.256 -5.791 64 HE2 MET 8 HE2 MET 8 24.463 -4.888 -6.359 65 HE3 MET 8 HE3 MET 8 25.204 -4.309 -4.870 66 HA PRO 9 HA PRO 9 21.178 -2.728 1.541 67 HB2 PRO 9 HB2 PRO 9 20.291 -5.379 0.448 68 HB3 PRO 9 HB1 PRO 9 19.559 -4.383 1.724 69 HG2 PRO 9 HG2 PRO 9 18.444 -4.443 -0.646 70 HG3 PRO 9 HG1 PRO 9 18.638 -2.888 0.189 71 HD2 PRO 9 HD2 PRO 9 20.311 -4.046 -2.018 72 HD3 PRO 9 HD1 PRO 9 19.676 -2.386 -1.857 73 H ASP 10 HN ASP 10 23.374 -3.626 -0.665 74 HA ASP 10 HA ASP 10 24.564 -5.904 0.792 75 HB2 ASP 10 HB2 ASP 10 24.821 -5.856 -1.634 76 HB3 ASP 10 HB1 ASP 10 25.549 -4.256 -1.547 77 H GLY 11 HN GLY 11 24.112 -3.007 1.722 78 HA2 GLY 11 HA2 GLY 11 26.020 -2.734 3.676 79 HA3 GLY 11 HA1 GLY 11 26.771 -1.962 2.278 80 H CYS 12 HN CYS 12 23.947 -1.311 1.322 81 HA CYS 12 HA CYS 12 23.782 1.372 2.188 82 HB2 CYS 12 HB2 CYS 12 22.551 0.747 0.226 83 HB3 CYS 12 HB1 CYS 12 21.676 -0.508 1.092 84 HG CYS 12 HG CYS 12 21.042 2.059 2.446 85 H TYR 13 HN TYR 13 21.099 -0.792 2.935 86 HA TYR 13 HA TYR 13 21.357 -0.176 5.844 87 HB2 TYR 13 HB2 TYR 13 19.160 0.568 3.960 88 HB3 TYR 13 HB1 TYR 13 18.643 -0.089 5.506 89 HD1 TYR 13 HD1 TYR 13 19.773 0.926 7.638 90 HD2 TYR 13 HD2 TYR 13 19.718 2.850 3.797 91 HE1 TYR 13 HE1 TYR 13 20.207 3.112 8.726 92 HE2 TYR 13 HE2 TYR 13 20.154 5.035 4.886 93 HH TYR 13 HH TYR 13 20.282 6.121 6.837 94 H ALA 14 HN ALA 14 19.641 -1.632 7.036 95 HA ALA 14 HA ALA 14 20.265 -4.326 6.674 96 HB1 ALA 14 HB1 ALA 14 17.568 -3.384 7.654 97 HB2 ALA 14 HB2 ALA 14 19.030 -3.266 8.633 98 HB3 ALA 14 HB3 ALA 14 18.434 -4.846 8.123 99 H ASP 15 HN ASP 15 17.002 -3.175 5.955 100 HA ASP 15 HA ASP 15 17.014 -4.823 3.448 101 HB2 ASP 15 HB2 ASP 15 15.660 -5.717 5.475 102 HB3 ASP 15 HB1 ASP 15 14.556 -4.383 5.148 103 H GLY 16 HN GLY 16 16.306 -1.838 4.989 104 HA2 GLY 16 HA2 GLY 16 15.540 0.209 4.144 105 HA3 GLY 16 HA1 GLY 16 16.013 -0.399 2.559 106 H THR 17 HN THR 17 13.904 -2.653 3.687 107 HA THR 17 HA THR 17 11.672 -1.467 2.126 108 HB THR 17 HB THR 17 10.690 -3.750 2.297 109 HG1 THR 17 HG1 THR 17 12.739 -5.122 3.138 110 HG21 THR 17 HG21 THR 17 12.650 -2.976 0.628 111 HG22 THR 17 HG22 THR 17 12.028 -4.625 0.628 112 HG23 THR 17 HG23 THR 17 13.520 -4.246 1.484 113 H TRP 18 HN TRP 18 9.407 -2.303 3.157 114 HA TRP 18 HA TRP 18 9.345 -2.249 6.057 115 HB2 TRP 18 HB2 TRP 18 7.984 -0.087 6.126 116 HB3 TRP 18 HB1 TRP 18 9.715 0.055 5.960 117 HD1 TRP 18 HD1 TRP 18 10.558 1.533 4.081 118 HE1 TRP 18 HE1 TRP 18 9.522 2.679 2.000 119 HE3 TRP 18 HE3 TRP 18 5.924 -0.599 4.073 120 HZ2 TRP 18 HZ2 TRP 18 7.074 2.705 0.576 121 HZ3 TRP 18 HZ3 TRP 18 4.262 0.005 2.357 122 HH2 TRP 18 HH2 TRP 18 4.837 1.653 0.601 123 H GLU 19 HN GLU 19 6.682 -1.521 6.570 124 HA GLU 19 HA GLU 19 5.119 -3.243 4.697 125 HB2 GLU 19 HB2 GLU 19 3.884 -4.149 6.573 126 HB3 GLU 19 HB1 GLU 19 5.602 -4.437 6.824 127 HG2 GLU 19 HG2 GLU 19 3.986 -2.199 8.072 128 HG3 GLU 19 HG1 GLU 19 4.538 -3.650 8.899 129 H LEU 20 HN LEU 20 2.705 -2.967 5.502 130 HA LEU 20 HA LEU 20 2.075 -0.139 6.009 131 HB2 LEU 20 HB2 LEU 20 2.160 -1.222 3.379 132 HB3 LEU 20 HB1 LEU 20 0.451 -0.980 3.767 133 HG LEU 20 HG LEU 20 2.621 1.123 4.106 134 HD11 LEU 20 HD11 LEU 20 0.393 0.921 2.103 135 HD12 LEU 20 HD12 LEU 20 2.101 0.658 1.756 136 HD13 LEU 20 HD13 LEU 20 1.532 2.259 2.257 137 HD21 LEU 20 HD21 LEU 20 -0.299 1.003 4.792 138 HD22 LEU 20 HD22 LEU 20 0.338 2.527 4.190 139 HD23 LEU 20 HD23 LEU 20 1.016 1.813 5.645 140 H SER 21 HN SER 21 -0.166 0.269 6.413 141 HA SER 21 HA SER 21 -1.653 -2.111 7.397 142 HB2 SER 21 HB2 SER 21 -2.638 -0.478 9.061 143 HB3 SER 21 HB1 SER 21 -0.940 -0.863 9.273 144 HG SER 21 HG SER 21 -2.003 1.505 8.967 145 H VAL 22 HN VAL 22 -3.674 -2.354 6.839 146 HA VAL 22 HA VAL 22 -5.035 -0.172 5.320 147 HB VAL 22 HB VAL 22 -4.636 -3.041 4.614 148 HG11 VAL 22 HG11 VAL 22 -7.300 -1.662 4.171 149 HG12 VAL 22 HG12 VAL 22 -7.040 -3.158 5.066 150 HG13 VAL 22 HG13 VAL 22 -6.785 -3.113 3.326 151 HG21 VAL 22 HG21 VAL 22 -5.264 -0.513 3.066 152 HG22 VAL 22 HG22 VAL 22 -4.890 -2.069 2.339 153 HG23 VAL 22 HG23 VAL 22 -3.669 -1.230 3.299 154 H HIS 23 HN HIS 23 -7.249 -0.215 5.422 155 HA HIS 23 HA HIS 23 -8.546 -1.373 7.839 156 HB2 HIS 23 HB2 HIS 23 -7.709 1.324 7.547 157 HB3 HIS 23 HB1 HIS 23 -9.442 1.378 7.289 158 HD1 HIS 23 HD1 HIS 23 -6.885 0.246 9.861 159 HD2 HIS 23 HD2 HIS 23 -10.966 1.061 9.622 160 HE1 HIS 23 HE1 HIS 23 -7.770 0.169 12.232 161 H VAL 24 HN VAL 24 -10.595 -2.135 7.335 162 HA VAL 24 HA VAL 24 -11.654 -1.479 4.643 163 HB VAL 24 HB VAL 24 -12.725 -3.629 6.433 164 HG11 VAL 24 HG11 VAL 24 -13.975 -2.888 4.371 165 HG12 VAL 24 HG12 VAL 24 -13.508 -4.588 4.355 166 HG13 VAL 24 HG13 VAL 24 -12.596 -3.416 3.410 167 HG21 VAL 24 HG21 VAL 24 -10.501 -4.330 6.335 168 HG22 VAL 24 HG22 VAL 24 -10.223 -3.604 4.755 169 HG23 VAL 24 HG23 VAL 24 -11.155 -5.094 4.892 170 H THR 25 HN THR 25 -13.028 0.163 4.589 171 HA THR 25 HA THR 25 -14.724 0.784 6.914 172 HB THR 25 HB THR 25 -15.543 2.613 5.269 173 HG1 THR 25 HG1 THR 25 -13.804 2.938 3.651 174 HG21 THR 25 HG21 THR 25 -13.503 3.962 5.649 175 HG22 THR 25 HG22 THR 25 -12.628 2.494 6.086 176 HG23 THR 25 HG23 THR 25 -13.961 3.058 7.093 177 H ASP 26 HN ASP 26 -17.123 1.047 6.516 178 HA ASP 26 HA ASP 26 -19.182 0.210 5.785 179 HB2 ASP 26 HB2 ASP 26 -18.038 0.764 3.477 180 HB3 ASP 26 HB1 ASP 26 -17.875 -0.985 3.341 181 H VAL 27 HN VAL 27 -16.380 -1.725 6.156 182 HA VAL 27 HA VAL 27 -18.071 -4.176 6.571 183 HB VAL 27 HB VAL 27 -15.115 -4.170 5.958 184 HG11 VAL 27 HG11 VAL 27 -16.108 -6.196 6.993 185 HG12 VAL 27 HG12 VAL 27 -15.576 -6.511 5.341 186 HG13 VAL 27 HG13 VAL 27 -17.288 -6.271 5.685 187 HG21 VAL 27 HG21 VAL 27 -16.279 -3.092 4.074 188 HG22 VAL 27 HG22 VAL 27 -17.430 -4.426 4.014 189 HG23 VAL 27 HG23 VAL 27 -15.735 -4.705 3.617 190 H ASN 28 HN ASN 28 -15.586 -2.028 7.720 191 HA ASN 28 HA ASN 28 -14.883 -1.545 9.862 192 HB2 ASN 28 HB2 ASN 28 -17.366 -2.284 10.178 193 HB3 ASN 28 HB1 ASN 28 -16.648 -3.677 10.972 194 HD21 ASN 28 HD21 ASN 28 -18.167 -1.214 12.085 195 HD22 ASN 28 HD22 ASN 28 -17.150 -0.635 13.315 196 H ARG 29 HN ARG 29 -13.853 -4.000 8.275 197 HA ARG 29 HA ARG 29 -12.484 -5.339 10.607 198 HB2 ARG 29 HB2 ARG 29 -11.760 -7.041 8.855 199 HB3 ARG 29 HB1 ARG 29 -13.472 -7.066 9.278 200 HG2 ARG 29 HG2 ARG 29 -13.871 -5.578 7.273 201 HG3 ARG 29 HG1 ARG 29 -12.195 -5.860 6.826 202 HD2 ARG 29 HD2 ARG 29 -12.747 -8.370 7.016 203 HD3 ARG 29 HD1 ARG 29 -14.438 -7.866 6.991 204 HE ARG 29 HE ARG 29 -13.457 -6.589 4.790 205 HH11 ARG 29 HH21 ARG 29 -13.129 -9.804 6.007 206 HH12 ARG 29 HH22 ARG 29 -12.967 -10.520 4.439 207 HH21 ARG 29 HH11 ARG 29 -13.250 -7.515 2.738 208 HH22 ARG 29 HH12 ARG 29 -13.040 -9.228 2.592 209 H ASP 30 HN ASP 30 -10.082 -6.027 9.653 210 HA ASP 30 HA ASP 30 -9.018 -3.811 8.006 211 HB2 ASP 30 HB2 ASP 30 -7.181 -3.715 10.067 212 HB3 ASP 30 HB1 ASP 30 -8.502 -2.567 9.855 213 H VAL 31 HN VAL 31 -7.048 -4.216 7.130 214 HA VAL 31 HA VAL 31 -5.734 -6.822 7.664 215 HB VAL 31 HB VAL 31 -6.485 -5.812 4.898 216 HG11 VAL 31 HG11 VAL 31 -5.729 -8.190 4.327 217 HG12 VAL 31 HG12 VAL 31 -5.051 -8.252 5.950 218 HG13 VAL 31 HG13 VAL 31 -4.464 -7.058 4.795 219 HG21 VAL 31 HG21 VAL 31 -7.614 -8.183 6.423 220 HG22 VAL 31 HG22 VAL 31 -8.073 -7.663 4.801 221 HG23 VAL 31 HG23 VAL 31 -8.459 -6.653 6.189 222 H THR 32 HN THR 32 -3.474 -6.704 6.681 223 HA THR 32 HA THR 32 -2.610 -3.879 6.230 224 HB THR 32 HB THR 32 -0.623 -4.325 7.554 225 HG1 THR 32 HG1 THR 32 -0.278 -6.457 7.352 226 HG21 THR 32 HG21 THR 32 -2.901 -3.630 8.593 227 HG22 THR 32 HG22 THR 32 -1.603 -4.146 9.667 228 HG23 THR 32 HG23 THR 32 -2.903 -5.265 9.256 229 H LEU 33 HN LEU 33 -0.945 -3.584 4.779 230 HA LEU 33 HA LEU 33 -0.552 -5.874 2.933 231 HB2 LEU 33 HB2 LEU 33 -0.400 -2.887 2.705 232 HB3 LEU 33 HB1 LEU 33 0.629 -3.827 1.636 233 HG LEU 33 HG LEU 33 -1.531 -3.257 0.597 234 HD11 LEU 33 HD11 LEU 33 -1.689 -6.220 1.006 235 HD12 LEU 33 HD12 LEU 33 -0.219 -5.546 0.301 236 HD13 LEU 33 HD13 LEU 33 -1.776 -5.272 -0.471 237 HD21 LEU 33 HD21 LEU 33 -3.032 -5.193 2.289 238 HD22 LEU 33 HD22 LEU 33 -3.569 -3.721 1.489 239 HD23 LEU 33 HD23 LEU 33 -2.691 -3.617 3.010 240 H ARG 34 HN ARG 34 1.443 -6.533 2.387 241 HA ARG 34 HA ARG 34 3.749 -5.639 4.091 242 HB2 ARG 34 HB2 ARG 34 2.922 -8.128 4.122 243 HB3 ARG 34 HB1 ARG 34 3.618 -8.211 2.509 244 HG2 ARG 34 HG2 ARG 34 5.312 -8.948 4.057 245 HG3 ARG 34 HG1 ARG 34 5.780 -7.358 3.460 246 HD2 ARG 34 HD2 ARG 34 5.457 -6.347 5.511 247 HD3 ARG 34 HD1 ARG 34 4.128 -7.415 5.957 248 HE ARG 34 HE ARG 34 5.703 -8.903 6.901 249 HH11 ARG 34 HH21 ARG 34 7.174 -6.531 4.876 250 HH12 ARG 34 HH22 ARG 34 8.791 -6.947 5.340 251 HH21 ARG 34 HH11 ARG 34 7.805 -9.459 7.517 252 HH22 ARG 34 HH12 ARG 34 9.148 -8.603 6.835 253 H VAL 35 HN VAL 35 4.350 -3.925 2.677 254 HA VAL 35 HA VAL 35 5.502 -4.786 0.084 255 HB VAL 35 HB VAL 35 4.272 -2.997 -1.108 256 HG11 VAL 35 HG11 VAL 35 2.217 -4.179 -1.359 257 HG12 VAL 35 HG12 VAL 35 2.305 -4.825 0.274 258 HG13 VAL 35 HG13 VAL 35 3.427 -5.393 -0.965 259 HG21 VAL 35 HG21 VAL 35 2.963 -2.690 1.594 260 HG22 VAL 35 HG22 VAL 35 2.180 -2.137 0.117 261 HG23 VAL 35 HG23 VAL 35 3.727 -1.449 0.602 262 H THR 36 HN THR 36 6.002 -2.470 -1.083 263 HA THR 36 HA THR 36 7.340 -0.667 0.875 264 HB THR 36 HB THR 36 9.298 -0.697 -0.886 265 HG1 THR 36 HG1 THR 36 9.323 -3.109 -1.519 266 HG21 THR 36 HG21 THR 36 9.438 -1.496 1.473 267 HG22 THR 36 HG22 THR 36 10.419 -2.454 0.367 268 HG23 THR 36 HG23 THR 36 8.875 -3.080 0.938 269 H GLY 37 HN GLY 37 8.269 1.244 -0.566 270 HA2 GLY 37 HA2 GLY 37 6.068 2.518 -1.823 271 HA3 GLY 37 HA1 GLY 37 7.734 3.058 -1.929 272 H GLU 38 HN GLU 38 7.196 -0.154 -2.967 273 HA GLU 38 HA GLU 38 7.574 0.686 -5.810 274 HB2 GLU 38 HB2 GLU 38 8.756 -1.370 -6.095 275 HB3 GLU 38 HB1 GLU 38 9.300 -0.690 -4.564 276 HG2 GLU 38 HG2 GLU 38 8.875 -2.882 -3.905 277 HG3 GLU 38 HG1 GLU 38 7.321 -2.119 -3.545 278 H VAL 39 HN VAL 39 5.314 -0.919 -3.729 279 HA VAL 39 HA VAL 39 4.205 -2.689 -5.713 280 HB VAL 39 HB VAL 39 3.806 -3.135 -3.381 281 HG11 VAL 39 HG11 VAL 39 2.196 -1.579 -2.139 282 HG12 VAL 39 HG12 VAL 39 2.540 -0.391 -3.387 283 HG13 VAL 39 HG13 VAL 39 3.835 -0.995 -2.366 284 HG21 VAL 39 HG21 VAL 39 2.050 -3.746 -5.063 285 HG22 VAL 39 HG22 VAL 39 1.193 -2.265 -4.645 286 HG23 VAL 39 HG23 VAL 39 1.420 -3.522 -3.435 287 H HIS 40 HN HIS 40 2.576 -2.368 -7.177 288 HA HIS 40 HA HIS 40 1.972 0.352 -7.962 289 HB2 HIS 40 HB2 HIS 40 0.915 -2.350 -8.796 290 HB3 HIS 40 HB1 HIS 40 0.258 -0.854 -9.447 291 HD1 HIS 40 HD1 HIS 40 3.703 -0.208 -8.818 292 HD2 HIS 40 HD2 HIS 40 1.655 -2.217 -11.843 293 HE1 HIS 40 HE1 HIS 40 5.292 -0.352 -10.785 294 H ILE 41 HN ILE 41 0.006 1.517 -7.571 295 HA ILE 41 HA ILE 41 -1.413 0.910 -5.171 296 HB ILE 41 HB ILE 41 -2.578 2.387 -7.542 297 HG12 ILE 41 HG12 ILE 41 -0.742 3.402 -5.351 298 HG13 ILE 41 HG11 ILE 41 -0.321 3.251 -7.054 299 HG21 ILE 41 HG21 ILE 41 -3.971 1.741 -5.466 300 HG22 ILE 41 HG22 ILE 41 -3.963 3.438 -5.930 301 HG23 ILE 41 HG23 ILE 41 -2.966 2.892 -4.584 302 HD11 ILE 41 HD11 ILE 41 -2.776 4.788 -6.772 303 HD12 ILE 41 HD12 ILE 41 -1.253 5.238 -7.517 304 HD13 ILE 41 HD13 ILE 41 -1.489 5.482 -5.792 305 H GLY 42 HN GLY 42 -2.170 0.420 -8.580 306 HA2 GLY 42 HA2 GLY 42 -4.530 -1.159 -8.181 307 HA3 GLY 42 HA1 GLY 42 -3.517 -1.162 -9.637 308 H GLY 43 HN GLY 43 -1.423 -1.671 -7.184 309 HA2 GLY 43 HA2 GLY 43 -1.564 -4.650 -7.460 310 HA3 GLY 43 HA1 GLY 43 -0.078 -3.734 -7.186 311 H VAL 44 HN VAL 44 -1.397 -1.912 -5.294 312 HA VAL 44 HA VAL 44 -0.851 -3.273 -2.853 313 HB VAL 44 HB VAL 44 -2.143 -0.724 -3.715 314 HG11 VAL 44 HG11 VAL 44 -2.729 -0.226 -1.266 315 HG12 VAL 44 HG12 VAL 44 -2.640 -1.968 -1.008 316 HG13 VAL 44 HG13 VAL 44 -3.822 -1.305 -2.134 317 HG21 VAL 44 HG21 VAL 44 -0.593 0.202 -1.972 318 HG22 VAL 44 HG22 VAL 44 0.229 -0.733 -3.216 319 HG23 VAL 44 HG23 VAL 44 -0.066 -1.444 -1.630 320 H MET 45 HN MET 45 -3.788 -2.775 -4.745 321 HA MET 45 HA MET 45 -5.548 -4.051 -2.836 322 HB2 MET 45 HB2 MET 45 -6.640 -4.339 -5.474 323 HB3 MET 45 HB1 MET 45 -7.087 -3.164 -4.245 324 HG2 MET 45 HG2 MET 45 -5.363 -1.625 -5.032 325 HG3 MET 45 HG1 MET 45 -4.815 -2.810 -6.214 326 HE1 MET 45 HE1 MET 45 -7.317 0.050 -5.451 327 HE2 MET 45 HE2 MET 45 -7.429 0.470 -7.158 328 HE3 MET 45 HE3 MET 45 -5.847 0.245 -6.416 329 H LEU 46 HN LEU 46 -3.888 -5.195 -5.776 330 HA LEU 46 HA LEU 46 -4.880 -7.874 -5.589 331 HB2 LEU 46 HB2 LEU 46 -2.174 -7.059 -6.678 332 HB3 LEU 46 HB1 LEU 46 -3.120 -8.476 -7.125 333 HG LEU 46 HG LEU 46 -4.022 -5.623 -7.562 334 HD11 LEU 46 HD11 LEU 46 -1.981 -6.429 -8.913 335 HD12 LEU 46 HD12 LEU 46 -3.353 -5.817 -9.833 336 HD13 LEU 46 HD13 LEU 46 -3.093 -7.555 -9.691 337 HD21 LEU 46 HD21 LEU 46 -5.142 -8.333 -8.280 338 HD22 LEU 46 HD22 LEU 46 -5.588 -6.889 -9.190 339 HD23 LEU 46 HD23 LEU 46 -5.945 -6.990 -7.466 340 H LYS 47 HN LYS 47 -1.713 -6.547 -4.614 341 HA LYS 47 HA LYS 47 -0.737 -8.799 -3.304 342 HB2 LYS 47 HB2 LYS 47 0.398 -6.529 -3.601 343 HB3 LYS 47 HB1 LYS 47 -0.507 -5.988 -2.204 344 HG2 LYS 47 HG2 LYS 47 1.459 -6.711 -1.182 345 HG3 LYS 47 HG1 LYS 47 0.456 -8.157 -1.073 346 HD2 LYS 47 HD2 LYS 47 2.412 -9.069 -1.971 347 HD3 LYS 47 HD1 LYS 47 1.530 -8.699 -3.451 348 HE2 LYS 47 HE2 LYS 47 3.533 -7.679 -3.981 349 HE3 LYS 47 HE1 LYS 47 2.785 -6.331 -3.124 350 HZ1 LYS 47 HZ1 LYS 47 4.681 -8.329 -2.016 351 HZ2 LYS 47 HZ2 LYS 47 3.853 -7.182 -1.074 352 HZ3 LYS 47 HZ3 LYS 47 4.963 -6.674 -2.256 353 H LEU 48 HN LEU 48 -3.268 -6.618 -2.379 354 HA LEU 48 HA LEU 48 -3.532 -7.758 0.316 355 HB2 LEU 48 HB2 LEU 48 -4.000 -5.459 0.171 356 HB3 LEU 48 HB1 LEU 48 -4.975 -5.650 -1.262 357 HG LEU 48 HG LEU 48 -6.747 -6.693 -0.018 358 HD11 LEU 48 HD11 LEU 48 -5.735 -8.102 1.565 359 HD12 LEU 48 HD12 LEU 48 -6.363 -6.813 2.579 360 HD13 LEU 48 HD13 LEU 48 -4.655 -6.842 2.148 361 HD21 LEU 48 HD21 LEU 48 -5.758 -4.462 1.760 362 HD22 LEU 48 HD22 LEU 48 -7.419 -4.854 1.322 363 HD23 LEU 48 HD23 LEU 48 -6.330 -4.151 0.123 364 H VAL 49 HN VAL 49 -5.625 -7.550 -2.607 365 HA VAL 49 HA VAL 49 -7.577 -9.390 -1.648 366 HB VAL 49 HB VAL 49 -6.640 -8.934 -4.504 367 HG11 VAL 49 HG11 VAL 49 -8.896 -9.802 -5.102 368 HG12 VAL 49 HG12 VAL 49 -9.171 -10.191 -3.404 369 HG13 VAL 49 HG13 VAL 49 -7.902 -11.021 -4.304 370 HG21 VAL 49 HG21 VAL 49 -7.556 -6.957 -3.071 371 HG22 VAL 49 HG22 VAL 49 -9.108 -7.785 -3.192 372 HG23 VAL 49 HG23 VAL 49 -8.288 -7.238 -4.654 373 H GLU 50 HN GLU 50 -4.473 -9.834 -3.245 374 HA GLU 50 HA GLU 50 -4.651 -12.673 -3.561 375 HB2 GLU 50 HB2 GLU 50 -2.300 -10.794 -3.247 376 HB3 GLU 50 HB1 GLU 50 -2.120 -12.519 -3.558 377 HG2 GLU 50 HG2 GLU 50 -3.428 -12.322 -5.605 378 HG3 GLU 50 HG1 GLU 50 -3.720 -10.623 -5.289 379 H LYS 51 HN LYS 51 -3.559 -10.572 -0.882 380 HA LYS 51 HA LYS 51 -2.547 -12.667 0.771 381 HB2 LYS 51 HB2 LYS 51 -3.477 -9.865 1.175 382 HB3 LYS 51 HB1 LYS 51 -3.416 -10.868 2.602 383 HG2 LYS 51 HG2 LYS 51 -1.051 -11.407 2.134 384 HG3 LYS 51 HG1 LYS 51 -1.116 -10.403 0.691 385 HD2 LYS 51 HD2 LYS 51 -0.122 -9.134 2.539 386 HD3 LYS 51 HD1 LYS 51 -1.674 -8.431 2.086 387 HE2 LYS 51 HE2 LYS 51 -1.108 -8.863 4.634 388 HE3 LYS 51 HE1 LYS 51 -2.733 -9.165 4.025 389 HZ1 LYS 51 HZ1 LYS 51 -1.693 -10.976 5.409 390 HZ2 LYS 51 HZ2 LYS 51 -0.647 -11.265 4.101 391 HZ3 LYS 51 HZ3 LYS 51 -2.324 -11.458 3.910 392 H LEU 52 HN LEU 52 -5.763 -11.014 1.013 393 HA LEU 52 HA LEU 52 -6.862 -13.617 2.069 394 HB2 LEU 52 HB2 LEU 52 -7.906 -10.867 2.744 395 HB3 LEU 52 HB1 LEU 52 -8.288 -12.396 3.533 396 HG LEU 52 HG LEU 52 -5.527 -11.153 3.497 397 HD11 LEU 52 HD11 LEU 52 -5.939 -10.398 5.716 398 HD12 LEU 52 HD12 LEU 52 -7.480 -11.251 5.789 399 HD13 LEU 52 HD13 LEU 52 -7.294 -9.852 4.735 400 HD21 LEU 52 HD21 LEU 52 -5.336 -13.501 3.831 401 HD22 LEU 52 HD22 LEU 52 -6.760 -13.548 4.867 402 HD23 LEU 52 HD23 LEU 52 -5.271 -12.802 5.447 403 H ASP 53 HN ASP 53 -9.207 -13.873 1.686 404 HA ASP 53 HA ASP 53 -10.924 -14.115 0.103 405 HB2 ASP 53 HB2 ASP 53 -10.578 -11.154 -0.365 406 HB3 ASP 53 HB1 ASP 53 -12.065 -12.103 -0.345 407 H VAL 54 HN VAL 54 -9.585 -15.308 -1.434 408 HA VAL 54 HA VAL 54 -8.342 -13.772 -3.631 409 HB VAL 54 HB VAL 54 -7.922 -16.142 -4.529 410 HG11 VAL 54 HG11 VAL 54 -6.185 -14.885 -3.365 411 HG12 VAL 54 HG12 VAL 54 -6.140 -16.564 -2.828 412 HG13 VAL 54 HG13 VAL 54 -6.871 -15.329 -1.802 413 HG21 VAL 54 HG21 VAL 54 -8.286 -17.989 -3.043 414 HG22 VAL 54 HG22 VAL 54 -9.809 -17.102 -3.105 415 HG23 VAL 54 HG23 VAL 54 -8.737 -16.916 -1.717 416 H LYS 55 HN LYS 55 -11.259 -13.621 -3.156 417 HA LYS 55 HA LYS 55 -12.145 -14.447 -5.883 418 HB2 LYS 55 HB2 LYS 55 -12.936 -16.198 -4.332 419 HB3 LYS 55 HB1 LYS 55 -13.688 -14.967 -3.321 420 HG2 LYS 55 HG2 LYS 55 -15.317 -14.443 -4.934 421 HG3 LYS 55 HG1 LYS 55 -14.396 -15.169 -6.249 422 HD2 LYS 55 HD2 LYS 55 -15.254 -16.969 -3.999 423 HD3 LYS 55 HD1 LYS 55 -16.493 -16.430 -5.129 424 HE2 LYS 55 HE2 LYS 55 -15.197 -18.636 -5.649 425 HE3 LYS 55 HE1 LYS 55 -15.477 -17.489 -6.958 426 HZ1 LYS 55 HZ1 LYS 55 -12.996 -18.075 -5.499 427 HZ2 LYS 55 HZ2 LYS 55 -13.216 -16.529 -6.167 428 HZ3 LYS 55 HZ3 LYS 55 -13.247 -17.902 -7.167 429 H LYS 56 HN LYS 56 -11.901 -12.094 -3.491 430 HA LYS 56 HA LYS 56 -14.355 -10.641 -4.132 431 HB2 LYS 56 HB2 LYS 56 -12.531 -10.559 -2.035 432 HB3 LYS 56 HB1 LYS 56 -12.144 -9.086 -2.908 433 HG2 LYS 56 HG2 LYS 56 -13.829 -8.382 -1.426 434 HG3 LYS 56 HG1 LYS 56 -14.720 -8.677 -2.918 435 HD2 LYS 56 HD2 LYS 56 -16.050 -9.848 -1.401 436 HD3 LYS 56 HD1 LYS 56 -14.963 -11.132 -1.928 437 HE2 LYS 56 HE2 LYS 56 -14.840 -11.347 0.395 438 HE3 LYS 56 HE1 LYS 56 -13.467 -10.285 0.080 439 HZ1 LYS 56 HZ1 LYS 56 -14.912 -8.383 0.531 440 HZ2 LYS 56 HZ2 LYS 56 -14.796 -9.420 1.872 441 HZ3 LYS 56 HZ3 LYS 56 -16.190 -9.435 0.902 442 H ASP 57 HN ASP 57 -14.420 -8.616 -5.225 443 HA ASP 57 HA ASP 57 -13.235 -8.572 -7.738 444 HB2 ASP 57 HB2 ASP 57 -13.815 -5.987 -6.321 445 HB3 ASP 57 HB1 ASP 57 -14.144 -6.445 -7.994 446 H TRP 58 HN TRP 58 -11.491 -7.359 -8.627 447 HA TRP 58 HA TRP 58 -9.198 -7.072 -6.796 448 HB2 TRP 58 HB2 TRP 58 -9.253 -6.870 -9.811 449 HB3 TRP 58 HB1 TRP 58 -7.866 -7.166 -8.779 450 HD1 TRP 58 HD1 TRP 58 -10.783 -8.865 -10.432 451 HE1 TRP 58 HE1 TRP 58 -10.649 -11.407 -10.026 452 HE3 TRP 58 HE3 TRP 58 -7.024 -9.011 -6.978 453 HZ2 TRP 58 HZ2 TRP 58 -9.148 -13.257 -8.445 454 HZ3 TRP 58 HZ3 TRP 58 -6.263 -11.174 -6.039 455 HH2 TRP 58 HH2 TRP 58 -7.319 -13.295 -6.768 456 H SER 59 HN SER 59 -9.919 -5.237 -9.749 457 HA SER 59 HA SER 59 -8.897 -2.801 -8.517 458 HB2 SER 59 HB2 SER 59 -8.509 -3.352 -10.909 459 HB3 SER 59 HB1 SER 59 -10.238 -3.198 -11.207 460 HG SER 59 HG SER 59 -10.019 -1.024 -10.352 461 H ASP 60 HN ASP 60 -12.105 -4.091 -9.296 462 HA ASP 60 HA ASP 60 -13.649 -1.767 -9.191 463 HB2 ASP 60 HB2 ASP 60 -14.375 -4.277 -9.420 464 HB3 ASP 60 HB1 ASP 60 -14.543 -4.209 -7.667 465 H HIS 61 HN HIS 61 -12.131 -3.512 -6.508 466 HA HIS 61 HA HIS 61 -13.411 -1.946 -4.453 467 HB2 HIS 61 HB2 HIS 61 -10.887 -3.614 -4.441 468 HB3 HIS 61 HB1 HIS 61 -11.582 -2.860 -3.012 469 HD1 HIS 61 HD1 HIS 61 -14.606 -3.425 -4.043 470 HD2 HIS 61 HD2 HIS 61 -11.578 -6.238 -3.494 471 HE1 HIS 61 HE1 HIS 61 -15.754 -5.657 -3.711 472 H ALA 62 HN ALA 62 -11.786 -0.723 -2.885 473 HA ALA 62 HA ALA 62 -9.687 0.766 -4.329 474 HB1 ALA 62 HB1 ALA 62 -11.580 2.042 -5.071 475 HB2 ALA 62 HB2 ALA 62 -10.822 2.973 -3.779 476 HB3 ALA 62 HB3 ALA 62 -12.285 2.043 -3.454 477 H LEU 63 HN LEU 63 -8.488 2.213 -2.867 478 HA LEU 63 HA LEU 63 -8.719 1.362 -0.026 479 HB2 LEU 63 HB2 LEU 63 -6.450 2.801 -1.401 480 HB3 LEU 63 HB1 LEU 63 -6.422 2.083 0.201 481 HG LEU 63 HG LEU 63 -5.295 0.563 -1.217 482 HD11 LEU 63 HD11 LEU 63 -8.060 -0.600 -1.087 483 HD12 LEU 63 HD12 LEU 63 -7.083 -0.332 0.358 484 HD13 LEU 63 HD13 LEU 63 -6.512 -1.422 -0.904 485 HD21 LEU 63 HD21 LEU 63 -5.842 -0.024 -3.386 486 HD22 LEU 63 HD22 LEU 63 -6.567 1.583 -3.345 487 HD23 LEU 63 HD23 LEU 63 -7.575 0.155 -3.117 488 H TRP 64 HN TRP 64 -9.727 2.833 1.324 489 HA TRP 64 HA TRP 64 -9.894 5.639 0.395 490 HB2 TRP 64 HB2 TRP 64 -11.566 4.048 1.961 491 HB3 TRP 64 HB1 TRP 64 -10.786 5.047 3.168 492 HD1 TRP 64 HD1 TRP 64 -12.100 5.878 -0.385 493 HE1 TRP 64 HE1 TRP 64 -13.614 7.956 -0.211 494 HE3 TRP 64 HE3 TRP 64 -11.913 6.683 4.650 495 HZ2 TRP 64 HZ2 TRP 64 -14.615 9.725 1.801 496 HZ3 TRP 64 HZ3 TRP 64 -13.152 8.568 5.670 497 HH2 TRP 64 HH2 TRP 64 -14.502 10.091 4.253 498 H TRP 65 HN TRP 65 -8.385 7.105 0.924 499 HA TRP 65 HA TRP 65 -6.332 6.419 2.975 500 HB2 TRP 65 HB2 TRP 65 -5.827 7.102 0.559 501 HB3 TRP 65 HB1 TRP 65 -6.336 8.711 1.017 502 HD1 TRP 65 HD1 TRP 65 -3.619 8.647 -0.023 503 HE1 TRP 65 HE1 TRP 65 -1.502 9.011 1.376 504 HE3 TRP 65 HE3 TRP 65 -5.326 7.376 4.685 505 HZ2 TRP 65 HZ2 TRP 65 -0.630 8.816 4.060 506 HZ3 TRP 65 HZ3 TRP 65 -3.806 7.493 6.605 507 HH2 TRP 65 HH2 TRP 65 -1.476 8.223 6.313 508 H GLU 66 HN GLU 66 -7.422 7.054 4.896 509 HA GLU 66 HA GLU 66 -9.082 9.229 5.357 510 HB2 GLU 66 HB2 GLU 66 -8.143 9.228 7.712 511 HB3 GLU 66 HB1 GLU 66 -8.705 7.660 7.134 512 HG2 GLU 66 HG2 GLU 66 -6.478 6.921 6.686 513 HG3 GLU 66 HG1 GLU 66 -5.833 8.549 6.884 514 H LYS 67 HN LYS 67 -5.544 9.303 4.920 515 HA LYS 67 HA LYS 67 -4.823 11.722 6.032 516 HB2 LYS 67 HB2 LYS 67 -3.264 10.405 4.790 517 HB3 LYS 67 HB1 LYS 67 -4.151 10.669 3.289 518 HG2 LYS 67 HG2 LYS 67 -3.547 12.942 3.193 519 HG3 LYS 67 HG1 LYS 67 -3.092 12.988 4.897 520 HD2 LYS 67 HD2 LYS 67 -1.084 11.819 4.533 521 HD3 LYS 67 HD1 LYS 67 -1.628 11.194 2.979 522 HE2 LYS 67 HE2 LYS 67 -1.287 13.252 1.889 523 HE3 LYS 67 HE1 LYS 67 -1.304 14.156 3.403 524 HZ1 LYS 67 HZ1 LYS 67 0.925 14.065 2.935 525 HZ2 LYS 67 HZ2 LYS 67 0.841 12.517 2.240 526 HZ3 LYS 67 HZ3 LYS 67 0.757 12.700 3.928 527 H LYS 68 HN LYS 68 -6.338 11.411 2.800 528 HA LYS 68 HA LYS 68 -7.354 14.222 3.103 529 HB2 LYS 68 HB2 LYS 68 -7.152 14.115 0.447 530 HB3 LYS 68 HB1 LYS 68 -5.764 14.565 1.435 531 HG2 LYS 68 HG2 LYS 68 -4.880 12.317 1.343 532 HG3 LYS 68 HG1 LYS 68 -6.333 11.730 0.534 533 HD2 LYS 68 HD2 LYS 68 -4.533 12.080 -1.103 534 HD3 LYS 68 HD1 LYS 68 -5.851 13.215 -1.391 535 HE2 LYS 68 HE2 LYS 68 -4.633 15.037 -0.555 536 HE3 LYS 68 HE1 LYS 68 -3.539 14.008 0.372 537 HZ1 LYS 68 HZ1 LYS 68 -2.188 14.407 -1.365 538 HZ2 LYS 68 HZ2 LYS 68 -3.461 14.751 -2.437 539 HZ3 LYS 68 HZ3 LYS 68 -3.053 13.139 -2.086 540 H ARG 69 HN ARG 69 -8.305 11.247 3.331 541 HA ARG 69 HA ARG 69 -10.257 10.044 2.838 542 HB2 ARG 69 HB2 ARG 69 -11.269 12.904 2.695 543 HB3 ARG 69 HB1 ARG 69 -12.320 11.491 2.687 544 HG2 ARG 69 HG2 ARG 69 -12.320 11.922 4.965 545 HG3 ARG 69 HG1 ARG 69 -10.907 10.875 4.892 546 HD2 ARG 69 HD2 ARG 69 -10.066 12.689 6.094 547 HD3 ARG 69 HD1 ARG 69 -9.625 13.153 4.452 548 HE ARG 69 HE ARG 69 -12.212 14.189 4.947 549 HH11 ARG 69 HH21 ARG 69 -8.964 14.465 6.074 550 HH12 ARG 69 HH22 ARG 69 -9.133 16.120 6.559 551 HH21 ARG 69 HH11 ARG 69 -12.451 16.345 5.578 552 HH22 ARG 69 HH12 ARG 69 -11.107 17.183 6.279 553 H THR 70 HN THR 70 -8.704 10.015 0.660 554 HA THR 70 HA THR 70 -10.584 10.558 -1.610 555 HB THR 70 HB THR 70 -8.449 12.003 -1.476 556 HG1 THR 70 HG1 THR 70 -8.947 12.151 -3.488 557 HG21 THR 70 HG21 THR 70 -7.035 9.954 -0.834 558 HG22 THR 70 HG22 THR 70 -6.369 11.030 -2.059 559 HG23 THR 70 HG23 THR 70 -7.117 9.510 -2.538 560 H TRP 71 HN TRP 71 -9.162 9.133 -3.526 561 HA TRP 71 HA TRP 71 -9.044 6.357 -2.429 562 HB2 TRP 71 HB2 TRP 71 -10.049 6.884 -5.203 563 HB3 TRP 71 HB1 TRP 71 -10.424 5.567 -4.111 564 HD1 TRP 71 HD1 TRP 71 -10.999 9.389 -4.251 565 HE1 TRP 71 HE1 TRP 71 -13.336 9.880 -3.280 566 HE3 TRP 71 HE3 TRP 71 -12.422 4.663 -2.938 567 HZ2 TRP 71 HZ2 TRP 71 -15.519 8.458 -2.104 568 HZ3 TRP 71 HZ3 TRP 71 -14.634 4.261 -1.896 569 HH2 TRP 71 HH2 TRP 71 -16.183 6.151 -1.477 570 H LEU 72 HN LEU 72 -7.622 4.969 -3.521 571 HA LEU 72 HA LEU 72 -5.561 6.306 -5.238 572 HB2 LEU 72 HB2 LEU 72 -5.056 3.677 -3.859 573 HB3 LEU 72 HB1 LEU 72 -3.930 4.982 -4.235 574 HG LEU 72 HG LEU 72 -6.095 5.185 -2.134 575 HD11 LEU 72 HD11 LEU 72 -4.265 3.493 -1.683 576 HD12 LEU 72 HD12 LEU 72 -4.447 4.779 -0.493 577 HD13 LEU 72 HD13 LEU 72 -3.141 4.852 -1.677 578 HD21 LEU 72 HD21 LEU 72 -4.742 7.183 -1.474 579 HD22 LEU 72 HD22 LEU 72 -5.417 7.331 -3.095 580 HD23 LEU 72 HD23 LEU 72 -3.718 6.913 -2.882 581 H LEU 73 HN LEU 73 -6.374 5.889 -7.273 582 HA LEU 73 HA LEU 73 -7.370 3.159 -7.882 583 HB2 LEU 73 HB2 LEU 73 -7.539 5.515 -9.738 584 HB3 LEU 73 HB1 LEU 73 -8.624 4.138 -9.584 585 HG LEU 73 HG LEU 73 -8.291 6.364 -7.548 586 HD11 LEU 73 HD11 LEU 73 -9.474 7.122 -9.507 587 HD12 LEU 73 HD12 LEU 73 -10.639 6.882 -8.206 588 HD13 LEU 73 HD13 LEU 73 -10.500 5.689 -9.497 589 HD21 LEU 73 HD21 LEU 73 -10.491 5.146 -6.700 590 HD22 LEU 73 HD22 LEU 73 -8.913 4.531 -6.225 591 HD23 LEU 73 HD23 LEU 73 -9.802 3.753 -7.534 592 H LYS 74 HN LYS 74 -5.517 5.602 -9.744 593 HA LYS 74 HA LYS 74 -4.513 3.651 -11.509 594 HB2 LYS 74 HB2 LYS 74 -3.376 5.356 -12.603 595 HB3 LYS 74 HB1 LYS 74 -4.773 6.139 -11.887 596 HG2 LYS 74 HG2 LYS 74 -2.159 6.111 -10.376 597 HG3 LYS 74 HG1 LYS 74 -2.407 7.244 -11.678 598 HD2 LYS 74 HD2 LYS 74 -3.103 8.421 -9.785 599 HD3 LYS 74 HD1 LYS 74 -4.601 7.893 -10.496 600 HE2 LYS 74 HE2 LYS 74 -5.135 6.791 -8.583 601 HE3 LYS 74 HE1 LYS 74 -3.632 5.891 -8.635 602 HZ1 LYS 74 HZ1 LYS 74 -3.984 8.621 -7.546 603 HZ2 LYS 74 HZ2 LYS 74 -2.507 7.787 -7.636 604 HZ3 LYS 74 HZ3 LYS 74 -3.755 7.205 -6.641 605 H THR 75 HN THR 75 -2.507 2.759 -11.822 606 HA THR 75 HA THR 75 -0.989 2.224 -9.365 607 HB THR 75 HB THR 75 -1.247 0.316 -10.752 608 HG1 THR 75 HG1 THR 75 1.070 0.496 -11.890 609 HG21 THR 75 HG21 THR 75 -2.040 1.250 -12.775 610 HG22 THR 75 HG22 THR 75 -0.517 0.478 -13.215 611 HG23 THR 75 HG23 THR 75 -0.588 2.228 -12.997 612 H HIS 76 HN HIS 76 -0.692 4.047 -12.337 613 HA HIS 76 HA HIS 76 1.990 4.676 -12.554 614 HB2 HIS 76 HB2 HIS 76 0.133 5.507 -14.019 615 HB3 HIS 76 HB1 HIS 76 -0.251 6.690 -12.767 616 HD1 HIS 76 HD1 HIS 76 2.960 5.585 -14.535 617 HD2 HIS 76 HD2 HIS 76 1.016 9.069 -13.324 618 HE1 HIS 76 HE1 HIS 76 4.443 7.514 -15.236 619 H TRP 77 HN TRP 77 -0.060 5.541 -9.930 620 HA TRP 77 HA TRP 77 1.981 7.481 -8.889 621 HB2 TRP 77 HB2 TRP 77 -0.996 7.269 -8.610 622 HB3 TRP 77 HB1 TRP 77 -0.075 7.986 -7.296 623 HD1 TRP 77 HD1 TRP 77 0.120 8.340 -11.152 624 HE1 TRP 77 HE1 TRP 77 0.218 10.852 -11.718 625 HE3 TRP 77 HE3 TRP 77 -0.148 10.316 -6.451 626 HZ2 TRP 77 HZ2 TRP 77 0.187 13.367 -10.358 627 HZ3 TRP 77 HZ3 TRP 77 -0.110 12.770 -6.115 628 HH2 TRP 77 HH2 TRP 77 0.057 14.298 -8.061 629 H THR 78 HN THR 78 2.996 5.271 -8.418 630 HA THR 78 HA THR 78 2.144 3.405 -6.557 631 HB THR 78 HB THR 78 4.939 4.198 -6.058 632 HG1 THR 78 HG1 THR 78 4.372 3.606 -8.736 633 HG21 THR 78 HG21 THR 78 5.193 1.972 -7.537 634 HG22 THR 78 HG22 THR 78 3.520 1.773 -7.066 635 HG23 THR 78 HG23 THR 78 4.769 1.908 -5.835 636 H LEU 79 HN LEU 79 2.582 3.275 -4.232 637 HA LEU 79 HA LEU 79 1.566 5.390 -2.723 638 HB2 LEU 79 HB2 LEU 79 3.634 3.912 -1.215 639 HB3 LEU 79 HB1 LEU 79 1.897 3.983 -0.954 640 HG LEU 79 HG LEU 79 1.632 2.369 -2.886 641 HD11 LEU 79 HD11 LEU 79 4.326 1.271 -2.695 642 HD12 LEU 79 HD12 LEU 79 4.364 2.914 -3.311 643 HD13 LEU 79 HD13 LEU 79 3.385 1.702 -4.097 644 HD21 LEU 79 HD21 LEU 79 3.345 0.878 -0.963 645 HD22 LEU 79 HD22 LEU 79 1.670 0.604 -1.435 646 HD23 LEU 79 HD23 LEU 79 2.048 1.827 -0.230 647 H ASP 80 HN ASP 80 4.975 4.563 -3.189 648 HA ASP 80 HA ASP 80 6.065 6.803 -1.877 649 HB2 ASP 80 HB2 ASP 80 7.747 5.349 -2.382 650 HB3 ASP 80 HB1 ASP 80 7.003 4.821 -3.867 651 H LYS 81 HN LYS 81 5.006 6.477 -5.296 652 HA LYS 81 HA LYS 81 5.847 8.977 -6.252 653 HB2 LYS 81 HB2 LYS 81 3.678 7.130 -6.949 654 HB3 LYS 81 HB1 LYS 81 3.200 8.789 -7.229 655 HG2 LYS 81 HG2 LYS 81 4.176 8.173 -9.254 656 HG3 LYS 81 HG1 LYS 81 5.476 9.021 -8.460 657 HD2 LYS 81 HD2 LYS 81 6.798 7.166 -8.582 658 HD3 LYS 81 HD1 LYS 81 5.628 6.253 -7.655 659 HE2 LYS 81 HE2 LYS 81 5.947 5.162 -9.807 660 HE3 LYS 81 HE1 LYS 81 4.320 5.857 -9.727 661 HZ1 LYS 81 HZ1 LYS 81 5.294 6.404 -11.827 662 HZ2 LYS 81 HZ2 LYS 81 6.694 7.018 -11.085 663 HZ3 LYS 81 HZ3 LYS 81 5.209 7.822 -10.900 664 H TYR 82 HN TYR 82 3.012 8.208 -4.318 665 HA TYR 82 HA TYR 82 2.126 10.973 -4.114 666 HB2 TYR 82 HB2 TYR 82 1.215 8.343 -3.233 667 HB3 TYR 82 HB1 TYR 82 1.092 9.486 -1.901 668 HD1 TYR 82 HD1 TYR 82 0.315 11.981 -2.935 669 HD2 TYR 82 HD2 TYR 82 -0.808 8.094 -4.381 670 HE1 TYR 82 HE1 TYR 82 -1.740 12.944 -3.932 671 HE2 TYR 82 HE2 TYR 82 -2.862 9.058 -5.378 672 HH TYR 82 HH TYR 82 -4.008 10.913 -5.788 673 H GLY 83 HN GLY 83 4.527 9.053 -2.578 674 HA2 GLY 83 HA2 GLY 83 6.245 9.960 -1.145 675 HA3 GLY 83 HA1 GLY 83 5.173 11.308 -0.744 676 H ILE 84 HN ILE 84 4.129 8.009 -0.848 677 HA ILE 84 HA ILE 84 3.337 8.155 2.008 678 HB ILE 84 HB ILE 84 2.530 6.598 -0.410 679 HG12 ILE 84 HG12 ILE 84 0.880 7.514 1.947 680 HG13 ILE 84 HG11 ILE 84 1.287 8.576 0.602 681 HG21 ILE 84 HG21 ILE 84 1.308 4.961 1.117 682 HG22 ILE 84 HG22 ILE 84 2.435 5.474 2.372 683 HG23 ILE 84 HG23 ILE 84 3.042 4.713 0.908 684 HD11 ILE 84 HD11 ILE 84 -0.891 7.588 0.172 685 HD12 ILE 84 HD12 ILE 84 -0.250 5.968 0.445 686 HD13 ILE 84 HD13 ILE 84 0.272 6.898 -0.960 687 H GLN 85 HN GLN 85 4.009 6.661 3.531 688 HA GLN 85 HA GLN 85 6.198 4.764 2.786 689 HB2 GLN 85 HB2 GLN 85 6.097 6.618 5.188 690 HB3 GLN 85 HB1 GLN 85 7.289 5.337 4.957 691 HG2 GLN 85 HG2 GLN 85 8.240 6.409 3.069 692 HG3 GLN 85 HG1 GLN 85 6.846 7.473 2.876 693 HE21 GLN 85 HE21 GLN 85 6.451 8.752 5.178 694 HE22 GLN 85 HE22 GLN 85 7.853 9.505 5.770 695 H ALA 86 HN ALA 86 6.476 3.808 5.467 696 HA ALA 86 HA ALA 86 4.105 2.110 5.604 697 HB1 ALA 86 HB1 ALA 86 5.326 1.305 7.739 698 HB2 ALA 86 HB2 ALA 86 6.644 2.353 7.206 699 HB3 ALA 86 HB3 ALA 86 6.102 1.029 6.187 700 H ASP 87 HN ASP 87 4.721 5.195 6.538 701 HA ASP 87 HA ASP 87 3.296 5.084 9.120 702 HB2 ASP 87 HB2 ASP 87 5.255 6.650 8.604 703 HB3 ASP 87 HB1 ASP 87 4.131 7.543 7.581 704 H ALA 88 HN ALA 88 2.357 4.739 6.096 705 HA ALA 88 HA ALA 88 0.099 6.666 6.140 706 HB1 ALA 88 HB1 ALA 88 1.163 4.689 4.135 707 HB2 ALA 88 HB2 ALA 88 1.080 6.444 4.001 708 HB3 ALA 88 HB3 ALA 88 -0.397 5.481 3.910 709 H LYS 89 HN LYS 89 -1.639 6.050 7.334 710 HA LYS 89 HA LYS 89 -2.203 3.187 7.780 711 HB2 LYS 89 HB2 LYS 89 -3.309 5.791 8.822 712 HB3 LYS 89 HB1 LYS 89 -4.311 4.361 8.914 713 HG2 LYS 89 HG2 LYS 89 -3.016 4.638 10.989 714 HG3 LYS 89 HG1 LYS 89 -2.555 3.164 10.145 715 HD2 LYS 89 HD2 LYS 89 -0.562 4.379 10.940 716 HD3 LYS 89 HD1 LYS 89 -0.598 4.313 9.180 717 HE2 LYS 89 HE2 LYS 89 -0.054 6.587 10.324 718 HE3 LYS 89 HE1 LYS 89 -1.195 6.576 8.984 719 HZ1 LYS 89 HZ1 LYS 89 -2.999 6.423 10.641 720 HZ2 LYS 89 HZ2 LYS 89 -2.102 7.860 10.764 721 HZ3 LYS 89 HZ3 LYS 89 -1.851 6.601 11.877 722 H LEU 90 HN LEU 90 -2.835 2.388 5.726 723 HA LEU 90 HA LEU 90 -4.714 3.948 4.127 724 HB2 LEU 90 HB2 LEU 90 -3.588 1.170 3.766 725 HB3 LEU 90 HB1 LEU 90 -4.631 1.983 2.605 726 HG LEU 90 HG LEU 90 -1.918 2.971 3.541 727 HD11 LEU 90 HD11 LEU 90 -2.815 1.950 0.833 728 HD12 LEU 90 HD12 LEU 90 -1.924 0.987 2.011 729 HD13 LEU 90 HD13 LEU 90 -1.180 2.420 1.297 730 HD21 LEU 90 HD21 LEU 90 -4.094 4.192 1.856 731 HD22 LEU 90 HD22 LEU 90 -2.418 4.503 1.403 732 HD23 LEU 90 HD23 LEU 90 -2.997 4.971 3.000 733 H GLN 91 HN GLN 91 -6.539 2.761 3.227 734 HA GLN 91 HA GLN 91 -7.988 1.107 5.146 735 HB2 GLN 91 HB2 GLN 91 -9.459 3.273 3.749 736 HB3 GLN 91 HB1 GLN 91 -9.911 2.374 5.168 737 HG2 GLN 91 HG2 GLN 91 -8.368 3.521 6.555 738 HG3 GLN 91 HG1 GLN 91 -7.537 4.239 5.185 739 HE21 GLN 91 HE21 GLN 91 -10.989 4.012 6.181 740 HE22 GLN 91 HE22 GLN 91 -11.301 5.662 5.976 741 H PHE 92 HN PHE 92 -10.017 0.335 3.946 742 HA PHE 92 HA PHE 92 -9.449 -0.207 1.084 743 HB2 PHE 92 HB2 PHE 92 -9.014 -2.160 2.747 744 HB3 PHE 92 HB1 PHE 92 -10.739 -2.240 2.860 745 HD1 PHE 92 HD2 PHE 92 -7.884 -2.553 0.595 746 HD2 PHE 92 HD1 PHE 92 -12.106 -3.076 1.061 747 HE1 PHE 92 HE2 PHE 92 -7.948 -3.859 -1.520 748 HE2 PHE 92 HE1 PHE 92 -12.181 -4.390 -1.041 749 HZ PHE 92 HZ PHE 92 -10.099 -4.782 -2.332 750 H THR 93 HN THR 93 -11.325 -0.338 -0.128 751 HA THR 93 HA THR 93 -13.929 -0.156 1.144 752 HB THR 93 HB THR 93 -13.417 2.070 1.625 753 HG1 THR 93 HG1 THR 93 -14.451 3.194 -0.352 754 HG21 THR 93 HG21 THR 93 -11.347 2.274 0.430 755 HG22 THR 93 HG22 THR 93 -12.401 3.578 -0.120 756 HG23 THR 93 HG23 THR 93 -12.168 2.155 -1.124 757 HA PRO 94 HA PRO 94 -15.039 -1.695 -2.846 758 HB2 PRO 94 HB2 PRO 94 -17.724 -1.148 -2.918 759 HB3 PRO 94 HB1 PRO 94 -17.025 -2.416 -1.890 760 HG2 PRO 94 HG2 PRO 94 -17.826 0.372 -1.163 761 HG3 PRO 94 HG1 PRO 94 -18.111 -1.144 -0.286 762 HD2 PRO 94 HD2 PRO 94 -16.109 0.563 0.405 763 HD3 PRO 94 HD1 PRO 94 -15.956 -1.196 0.598 Start of MODEL 7 1 H MET 1 HT1 MET 1 32.460 2.508 9.721 2 HA MET 1 HA MET 1 30.404 3.445 7.799 3 HB2 MET 1 HB2 MET 1 33.431 3.436 7.709 4 HB3 MET 1 HB1 MET 1 32.401 3.770 6.318 5 HG2 MET 1 HG2 MET 1 31.485 5.721 7.339 6 HG3 MET 1 HG1 MET 1 32.166 5.309 8.907 7 HE1 MET 1 HE1 MET 1 35.704 6.069 8.919 8 HE2 MET 1 HE2 MET 1 35.461 4.553 8.056 9 HE3 MET 1 HE3 MET 1 34.408 4.969 9.405 10 H ALA 2 HN ALA 2 31.778 2.232 5.633 11 HA ALA 2 HA ALA 2 32.302 0.159 4.643 12 HB1 ALA 2 HB1 ALA 2 31.469 -1.406 7.069 13 HB2 ALA 2 HB2 ALA 2 33.001 -0.533 7.109 14 HB3 ALA 2 HB3 ALA 2 32.717 -1.761 5.875 15 H LEU 3 HN LEU 3 30.563 0.497 3.322 16 HA LEU 3 HA LEU 3 27.834 0.231 3.998 17 HB2 LEU 3 HB2 LEU 3 28.975 -0.521 1.301 18 HB3 LEU 3 HB1 LEU 3 27.434 0.227 1.669 19 HG LEU 3 HG LEU 3 30.171 1.480 1.891 20 HD11 LEU 3 HD11 LEU 3 29.203 3.103 0.305 21 HD12 LEU 3 HD12 LEU 3 27.692 2.193 0.301 22 HD13 LEU 3 HD13 LEU 3 29.162 1.467 -0.349 23 HD21 LEU 3 HD21 LEU 3 29.008 2.257 3.817 24 HD22 LEU 3 HD22 LEU 3 27.483 2.379 2.942 25 HD23 LEU 3 HD23 LEU 3 28.784 3.523 2.610 26 H ASP 4 HN ASP 4 29.471 -2.096 1.914 27 HA ASP 4 HA ASP 4 28.777 -4.368 3.612 28 HB2 ASP 4 HB2 ASP 4 26.600 -3.960 2.571 29 HB3 ASP 4 HB1 ASP 4 27.352 -3.938 0.976 30 H GLY 5 HN GLY 5 29.263 -3.737 0.145 31 HA2 GLY 5 HA2 GLY 5 31.912 -4.380 -0.189 32 HA3 GLY 5 HA1 GLY 5 31.142 -5.963 -0.068 33 H ILE 6 HN ILE 6 28.651 -4.640 -1.313 34 HA ILE 6 HA ILE 6 29.368 -5.304 -4.058 35 HB ILE 6 HB ILE 6 26.762 -4.224 -3.007 36 HG12 ILE 6 HG12 ILE 6 27.989 -6.979 -2.954 37 HG13 ILE 6 HG11 ILE 6 27.072 -6.149 -1.702 38 HG21 ILE 6 HG21 ILE 6 25.813 -5.161 -5.015 39 HG22 ILE 6 HG22 ILE 6 27.315 -5.998 -5.404 40 HG23 ILE 6 HG23 ILE 6 27.228 -4.242 -5.523 41 HD11 ILE 6 HD11 ILE 6 25.463 -7.641 -2.413 42 HD12 ILE 6 HD12 ILE 6 26.096 -7.705 -4.057 43 HD13 ILE 6 HD13 ILE 6 25.124 -6.331 -3.542 44 H ARG 7 HN ARG 7 27.107 -2.757 -3.903 45 HA ARG 7 HA ARG 7 29.166 -0.820 -4.914 46 HB2 ARG 7 HB2 ARG 7 27.332 -1.859 -6.510 47 HB3 ARG 7 HB1 ARG 7 26.263 -0.710 -5.720 48 HG2 ARG 7 HG2 ARG 7 27.037 0.568 -7.513 49 HG3 ARG 7 HG1 ARG 7 28.186 1.023 -6.257 50 HD2 ARG 7 HD2 ARG 7 29.652 0.498 -7.984 51 HD3 ARG 7 HD1 ARG 7 29.525 -1.075 -7.197 52 HE ARG 7 HE ARG 7 27.495 -1.185 -9.032 53 HH11 ARG 7 HH21 ARG 7 30.816 -0.267 -9.153 54 HH12 ARG 7 HH22 ARG 7 31.028 -0.752 -10.801 55 HH21 ARG 7 HH11 ARG 7 27.755 -1.827 -11.186 56 HH22 ARG 7 HH12 ARG 7 29.297 -1.637 -11.952 57 H MET 8 HN MET 8 25.777 -0.622 -3.869 58 HA MET 8 HA MET 8 26.336 0.843 -1.544 59 HB2 MET 8 HB2 MET 8 24.919 2.872 -2.885 60 HB3 MET 8 HB1 MET 8 26.603 2.896 -2.429 61 HG2 MET 8 HG2 MET 8 27.364 2.394 -4.552 62 HG3 MET 8 HG1 MET 8 25.898 1.535 -4.998 63 HE1 MET 8 HE1 MET 8 27.604 3.581 -6.602 64 HE2 MET 8 HE2 MET 8 26.462 4.677 -7.375 65 HE3 MET 8 HE3 MET 8 26.159 2.942 -7.398 66 HA PRO 9 HA PRO 9 21.498 0.828 -2.018 67 HB2 PRO 9 HB2 PRO 9 21.360 -0.991 -4.421 68 HB3 PRO 9 HB1 PRO 9 20.191 0.227 -3.863 69 HG2 PRO 9 HG2 PRO 9 21.788 0.774 -5.882 70 HG3 PRO 9 HG1 PRO 9 21.471 1.993 -4.630 71 HD2 PRO 9 HD2 PRO 9 23.936 0.344 -5.059 72 HD3 PRO 9 HD1 PRO 9 23.758 2.016 -4.488 73 H ASP 10 HN ASP 10 23.822 -1.711 -2.634 74 HA ASP 10 HA ASP 10 22.133 -3.675 -1.100 75 HB2 ASP 10 HB2 ASP 10 24.493 -3.925 -2.950 76 HB3 ASP 10 HB1 ASP 10 24.150 -5.205 -1.787 77 H GLY 11 HN GLY 11 23.713 -1.265 -0.112 78 HA2 GLY 11 HA2 GLY 11 24.630 -2.412 2.339 79 HA3 GLY 11 HA1 GLY 11 26.019 -2.049 1.317 80 H CYS 12 HN CYS 12 24.622 0.202 0.049 81 HA CYS 12 HA CYS 12 25.553 2.301 1.620 82 HB2 CYS 12 HB2 CYS 12 25.128 2.829 -0.617 83 HB3 CYS 12 HB1 CYS 12 23.466 2.251 -0.553 84 HG CYS 12 HG CYS 12 23.112 4.352 1.192 85 H TYR 13 HN TYR 13 22.102 1.731 0.968 86 HA TYR 13 HA TYR 13 21.491 2.336 3.854 87 HB2 TYR 13 HB2 TYR 13 20.971 4.180 2.074 88 HB3 TYR 13 HB1 TYR 13 19.656 3.115 1.581 89 HD1 TYR 13 HD1 TYR 13 21.097 4.938 4.498 90 HD2 TYR 13 HD2 TYR 13 17.648 2.977 2.849 91 HE1 TYR 13 HE1 TYR 13 19.719 5.776 6.382 92 HE2 TYR 13 HE2 TYR 13 16.271 3.815 4.734 93 HH TYR 13 HH TYR 13 17.428 6.209 6.933 94 H ALA 14 HN ALA 14 21.832 -0.274 2.846 95 HA ALA 14 HA ALA 14 20.707 -2.327 2.626 96 HB1 ALA 14 HB1 ALA 14 18.720 -0.761 4.299 97 HB2 ALA 14 HB2 ALA 14 20.005 -1.811 4.897 98 HB3 ALA 14 HB3 ALA 14 18.635 -2.502 4.028 99 H ASP 15 HN ASP 15 17.514 -1.280 2.852 100 HA ASP 15 HA ASP 15 17.217 -0.915 -0.092 101 HB2 ASP 15 HB2 ASP 15 16.855 -3.350 0.755 102 HB3 ASP 15 HB1 ASP 15 15.358 -2.730 1.442 103 H GLY 16 HN GLY 16 16.484 0.103 3.018 104 HA2 GLY 16 HA2 GLY 16 14.897 1.612 3.876 105 HA3 GLY 16 HA1 GLY 16 14.901 2.279 2.248 106 H THR 17 HN THR 17 13.921 -0.995 3.000 107 HA THR 17 HA THR 17 11.386 -0.598 1.632 108 HB THR 17 HB THR 17 12.289 -2.773 1.412 109 HG1 THR 17 HG1 THR 17 10.543 -3.393 3.459 110 HG21 THR 17 HG21 THR 17 12.566 -2.743 4.420 111 HG22 THR 17 HG22 THR 17 13.873 -2.780 3.239 112 HG23 THR 17 HG23 THR 17 12.820 -4.179 3.429 113 H TRP 18 HN TRP 18 9.447 -1.781 2.912 114 HA TRP 18 HA TRP 18 9.246 -1.341 5.729 115 HB2 TRP 18 HB2 TRP 18 7.514 0.666 5.371 116 HB3 TRP 18 HB1 TRP 18 9.229 0.962 5.605 117 HD1 TRP 18 HD1 TRP 18 10.513 2.132 3.731 118 HE1 TRP 18 HE1 TRP 18 9.882 3.054 1.395 119 HE3 TRP 18 HE3 TRP 18 5.870 0.052 3.145 120 HZ2 TRP 18 HZ2 TRP 18 7.735 2.952 -0.427 121 HZ3 TRP 18 HZ3 TRP 18 4.585 0.486 1.055 122 HH2 TRP 18 HH2 TRP 18 5.505 1.933 -0.693 123 H GLU 19 HN GLU 19 6.529 -0.769 6.033 124 HA GLU 19 HA GLU 19 5.153 -2.746 4.290 125 HB2 GLU 19 HB2 GLU 19 3.921 -3.580 6.230 126 HB3 GLU 19 HB1 GLU 19 5.646 -3.809 6.476 127 HG2 GLU 19 HG2 GLU 19 4.012 -1.518 7.606 128 HG3 GLU 19 HG1 GLU 19 4.536 -2.934 8.511 129 H LEU 20 HN LEU 20 2.715 -2.513 5.161 130 HA LEU 20 HA LEU 20 1.952 0.342 5.312 131 HB2 LEU 20 HB2 LEU 20 1.879 -1.293 2.927 132 HB3 LEU 20 HB1 LEU 20 0.225 -0.890 3.386 133 HG LEU 20 HG LEU 20 1.166 0.779 1.843 134 HD11 LEU 20 HD11 LEU 20 1.042 2.241 4.461 135 HD12 LEU 20 HD12 LEU 20 -0.379 1.346 3.918 136 HD13 LEU 20 HD13 LEU 20 0.294 2.631 2.916 137 HD21 LEU 20 HD21 LEU 20 3.541 0.389 2.958 138 HD22 LEU 20 HD22 LEU 20 3.071 1.781 3.930 139 HD23 LEU 20 HD23 LEU 20 3.145 1.913 2.175 140 H SER 21 HN SER 21 -0.216 0.634 6.006 141 HA SER 21 HA SER 21 -1.515 -1.765 7.191 142 HB2 SER 21 HB2 SER 21 -2.397 0.005 8.881 143 HB3 SER 21 HB1 SER 21 -0.750 -0.581 9.043 144 HG SER 21 HG SER 21 -0.049 1.347 8.603 145 H VAL 22 HN VAL 22 -3.515 -2.088 6.670 146 HA VAL 22 HA VAL 22 -5.008 0.048 5.215 147 HB VAL 22 HB VAL 22 -4.695 -2.876 4.676 148 HG11 VAL 22 HG11 VAL 22 -7.068 -2.884 5.229 149 HG12 VAL 22 HG12 VAL 22 -6.904 -2.910 3.472 150 HG13 VAL 22 HG13 VAL 22 -7.313 -1.409 4.294 151 HG21 VAL 22 HG21 VAL 22 -4.943 -2.063 2.366 152 HG22 VAL 22 HG22 VAL 22 -3.735 -1.116 3.239 153 HG23 VAL 22 HG23 VAL 22 -5.350 -0.457 2.971 154 H HIS 23 HN HIS 23 -7.209 0.044 5.515 155 HA HIS 23 HA HIS 23 -8.291 -0.973 8.095 156 HB2 HIS 23 HB2 HIS 23 -7.438 1.677 7.622 157 HB3 HIS 23 HB1 HIS 23 -9.181 1.773 7.467 158 HD1 HIS 23 HD1 HIS 23 -10.574 1.495 9.599 159 HD2 HIS 23 HD2 HIS 23 -6.512 0.806 10.234 160 HE1 HIS 23 HE1 HIS 23 -10.258 1.342 12.107 161 H VAL 24 HN VAL 24 -10.293 -1.845 7.745 162 HA VAL 24 HA VAL 24 -11.631 -1.255 5.182 163 HB VAL 24 HB VAL 24 -12.534 -3.321 7.152 164 HG11 VAL 24 HG11 VAL 24 -13.949 -2.680 5.165 165 HG12 VAL 24 HG12 VAL 24 -13.475 -4.378 5.193 166 HG13 VAL 24 HG13 VAL 24 -12.648 -3.250 4.124 167 HG21 VAL 24 HG21 VAL 24 -10.191 -3.388 5.255 168 HG22 VAL 24 HG22 VAL 24 -11.094 -4.867 5.583 169 HG23 VAL 24 HG23 VAL 24 -10.311 -4.004 6.900 170 H THR 25 HN THR 25 -12.986 0.395 5.181 171 HA THR 25 HA THR 25 -14.468 1.141 7.612 172 HB THR 25 HB THR 25 -15.415 2.901 5.973 173 HG1 THR 25 HG1 THR 25 -13.196 2.093 4.434 174 HG21 THR 25 HG21 THR 25 -13.683 3.462 7.584 175 HG22 THR 25 HG22 THR 25 -13.283 4.205 6.036 176 HG23 THR 25 HG23 THR 25 -12.447 2.742 6.553 177 H ASP 26 HN ASP 26 -16.892 1.393 7.429 178 HA ASP 26 HA ASP 26 -19.013 0.549 6.888 179 HB2 ASP 26 HB2 ASP 26 -17.958 -0.817 4.424 180 HB3 ASP 26 HB1 ASP 26 -19.476 0.046 4.663 181 H VAL 27 HN VAL 27 -16.189 -1.409 7.071 182 HA VAL 27 HA VAL 27 -17.851 -3.817 7.757 183 HB VAL 27 HB VAL 27 -14.950 -3.864 6.912 184 HG11 VAL 27 HG11 VAL 27 -15.542 -6.223 6.368 185 HG12 VAL 27 HG12 VAL 27 -17.173 -5.927 6.966 186 HG13 VAL 27 HG13 VAL 27 -15.803 -5.850 8.071 187 HG21 VAL 27 HG21 VAL 27 -17.407 -4.189 5.161 188 HG22 VAL 27 HG22 VAL 27 -15.744 -4.465 4.648 189 HG23 VAL 27 HG23 VAL 27 -16.272 -2.843 5.086 190 H ASN 28 HN ASN 28 -15.301 -1.620 8.609 191 HA ASN 28 HA ASN 28 -14.435 -1.039 10.664 192 HB2 ASN 28 HB2 ASN 28 -16.886 -1.777 11.193 193 HB3 ASN 28 HB1 ASN 28 -16.095 -3.117 12.007 194 HD21 ASN 28 HD21 ASN 28 -13.783 -1.766 13.015 195 HD22 ASN 28 HD22 ASN 28 -14.280 -0.621 14.166 196 H ARG 29 HN ARG 29 -13.493 -3.550 9.120 197 HA ARG 29 HA ARG 29 -11.943 -4.766 11.408 198 HB2 ARG 29 HB2 ARG 29 -11.384 -6.587 9.740 199 HB3 ARG 29 HB1 ARG 29 -13.069 -6.551 10.254 200 HG2 ARG 29 HG2 ARG 29 -13.563 -5.193 8.187 201 HG3 ARG 29 HG1 ARG 29 -11.912 -5.509 7.670 202 HD2 ARG 29 HD2 ARG 29 -13.420 -7.158 6.667 203 HD3 ARG 29 HD1 ARG 29 -12.338 -7.943 7.816 204 HE ARG 29 HE ARG 29 -14.892 -7.110 8.978 205 HH11 ARG 29 HH21 ARG 29 -13.077 -9.528 7.322 206 HH12 ARG 29 HH22 ARG 29 -14.089 -10.833 7.844 207 HH21 ARG 29 HH11 ARG 29 -16.223 -8.797 9.668 208 HH22 ARG 29 HH12 ARG 29 -15.871 -10.419 9.173 209 H ASP 30 HN ASP 30 -9.638 -5.524 10.297 210 HA ASP 30 HA ASP 30 -8.723 -3.412 8.434 211 HB2 ASP 30 HB2 ASP 30 -6.683 -3.278 10.301 212 HB3 ASP 30 HB1 ASP 30 -7.986 -2.099 10.151 213 H VAL 31 HN VAL 31 -6.812 -3.872 7.426 214 HA VAL 31 HA VAL 31 -5.521 -6.497 7.913 215 HB VAL 31 HB VAL 31 -6.375 -5.613 5.139 216 HG11 VAL 31 HG11 VAL 31 -4.547 -7.274 5.369 217 HG12 VAL 31 HG12 VAL 31 -5.980 -7.978 4.620 218 HG13 VAL 31 HG13 VAL 31 -5.622 -8.302 6.316 219 HG21 VAL 31 HG21 VAL 31 -8.421 -5.894 6.466 220 HG22 VAL 31 HG22 VAL 31 -7.847 -7.456 7.050 221 HG23 VAL 31 HG23 VAL 31 -8.243 -7.244 5.345 222 H THR 32 HN THR 32 -3.325 -6.433 6.745 223 HA THR 32 HA THR 32 -2.501 -3.636 6.083 224 HB THR 32 HB THR 32 -0.475 -3.930 7.383 225 HG1 THR 32 HG1 THR 32 0.088 -5.808 8.132 226 HG21 THR 32 HG21 THR 32 -2.789 -3.242 8.424 227 HG22 THR 32 HG22 THR 32 -1.408 -3.542 9.477 228 HG23 THR 32 HG23 THR 32 -2.639 -4.786 9.265 229 H LEU 33 HN LEU 33 -0.884 -3.425 4.587 230 HA LEU 33 HA LEU 33 -0.376 -5.865 2.957 231 HB2 LEU 33 HB2 LEU 33 -0.357 -2.913 2.379 232 HB3 LEU 33 HB1 LEU 33 0.592 -3.989 1.363 233 HG LEU 33 HG LEU 33 -1.618 -3.574 0.407 234 HD11 LEU 33 HD11 LEU 33 -1.934 -5.715 -0.330 235 HD12 LEU 33 HD12 LEU 33 -1.849 -6.414 1.277 236 HD13 LEU 33 HD13 LEU 33 -0.370 -5.938 0.445 237 HD21 LEU 33 HD21 LEU 33 -3.578 -3.740 1.532 238 HD22 LEU 33 HD22 LEU 33 -2.575 -3.551 2.963 239 HD23 LEU 33 HD23 LEU 33 -3.068 -5.158 2.439 240 H ARG 34 HN ARG 34 1.631 -6.538 2.583 241 HA ARG 34 HA ARG 34 3.877 -5.197 4.076 242 HB2 ARG 34 HB2 ARG 34 3.312 -7.706 4.473 243 HB3 ARG 34 HB1 ARG 34 3.948 -7.959 2.851 244 HG2 ARG 34 HG2 ARG 34 5.868 -8.291 4.135 245 HG3 ARG 34 HG1 ARG 34 6.014 -6.581 3.734 246 HD2 ARG 34 HD2 ARG 34 6.368 -6.511 6.035 247 HD3 ARG 34 HD1 ARG 34 4.622 -6.278 5.987 248 HE ARG 34 HE ARG 34 5.167 -9.077 6.110 249 HH11 ARG 34 HH21 ARG 34 5.389 -6.160 7.935 250 HH12 ARG 34 HH22 ARG 34 5.214 -6.949 9.467 251 HH21 ARG 34 HH11 ARG 34 4.938 -10.124 8.100 252 HH22 ARG 34 HH12 ARG 34 4.960 -9.193 9.561 253 H VAL 35 HN VAL 35 4.424 -3.645 2.488 254 HA VAL 35 HA VAL 35 5.607 -4.742 -0.002 255 HB VAL 35 HB VAL 35 4.327 -3.098 -1.353 256 HG11 VAL 35 HG11 VAL 35 3.612 -5.517 -0.958 257 HG12 VAL 35 HG12 VAL 35 2.354 -4.419 -1.510 258 HG13 VAL 35 HG13 VAL 35 2.436 -4.877 0.189 259 HG21 VAL 35 HG21 VAL 35 2.110 -2.357 -0.044 260 HG22 VAL 35 HG22 VAL 35 3.575 -1.383 0.033 261 HG23 VAL 35 HG23 VAL 35 3.173 -2.473 1.354 262 H THR 36 HN THR 36 6.167 -2.627 -1.423 263 HA THR 36 HA THR 36 7.476 -0.589 0.323 264 HB THR 36 HB THR 36 9.496 -0.788 -1.200 265 HG1 THR 36 HG1 THR 36 8.080 -3.143 -1.885 266 HG21 THR 36 HG21 THR 36 8.819 -3.229 0.463 267 HG22 THR 36 HG22 THR 36 9.407 -1.700 1.113 268 HG23 THR 36 HG23 THR 36 10.433 -2.659 0.048 269 H GLY 37 HN GLY 37 8.494 1.091 -1.243 270 HA2 GLY 37 HA2 GLY 37 6.539 2.492 -2.671 271 HA3 GLY 37 HA1 GLY 37 8.259 2.703 -2.898 272 H GLU 38 HN GLU 38 7.476 -0.485 -3.559 273 HA GLU 38 HA GLU 38 7.627 0.073 -6.480 274 HB2 GLU 38 HB2 GLU 38 8.577 -2.129 -6.654 275 HB3 GLU 38 HB1 GLU 38 9.325 -1.340 -5.268 276 HG2 GLU 38 HG2 GLU 38 8.777 -3.388 -4.309 277 HG3 GLU 38 HG1 GLU 38 7.333 -2.446 -3.919 278 H VAL 39 HN VAL 39 5.395 -1.232 -4.131 279 HA VAL 39 HA VAL 39 4.039 -2.988 -5.990 280 HB VAL 39 HB VAL 39 3.811 -3.331 -3.600 281 HG11 VAL 39 HG11 VAL 39 2.307 -0.708 -3.582 282 HG12 VAL 39 HG12 VAL 39 3.950 -0.922 -2.991 283 HG13 VAL 39 HG13 VAL 39 2.616 -1.746 -2.200 284 HG21 VAL 39 HG21 VAL 39 1.148 -2.433 -4.728 285 HG22 VAL 39 HG22 VAL 39 1.427 -3.670 -3.507 286 HG23 VAL 39 HG23 VAL 39 1.938 -3.945 -5.170 287 H HIS 40 HN HIS 40 2.467 -2.550 -7.431 288 HA HIS 40 HA HIS 40 1.878 0.196 -8.124 289 HB2 HIS 40 HB2 HIS 40 0.819 -2.481 -9.023 290 HB3 HIS 40 HB1 HIS 40 0.127 -0.977 -9.615 291 HD1 HIS 40 HD1 HIS 40 2.200 -3.300 -10.957 292 HD2 HIS 40 HD2 HIS 40 2.861 0.741 -10.178 293 HE1 HIS 40 HE1 HIS 40 4.103 -2.581 -12.466 294 H ILE 41 HN ILE 41 -0.115 1.348 -7.727 295 HA ILE 41 HA ILE 41 -1.493 0.708 -5.314 296 HB ILE 41 HB ILE 41 -2.672 2.200 -7.668 297 HG12 ILE 41 HG12 ILE 41 -0.881 3.198 -5.433 298 HG13 ILE 41 HG11 ILE 41 -0.424 3.069 -7.126 299 HG21 ILE 41 HG21 ILE 41 -3.128 2.726 -4.727 300 HG22 ILE 41 HG22 ILE 41 -4.059 1.487 -5.567 301 HG23 ILE 41 HG23 ILE 41 -4.146 3.162 -6.100 302 HD11 ILE 41 HD11 ILE 41 -1.541 5.307 -5.908 303 HD12 ILE 41 HD12 ILE 41 -2.896 4.611 -6.789 304 HD13 ILE 41 HD13 ILE 41 -1.412 5.017 -7.636 305 H GLY 42 HN GLY 42 -2.216 0.165 -8.722 306 HA2 GLY 42 HA2 GLY 42 -4.584 -1.408 -8.313 307 HA3 GLY 42 HA1 GLY 42 -3.568 -1.427 -9.764 308 H GLY 43 HN GLY 43 -1.474 -1.897 -7.305 309 HA2 GLY 43 HA2 GLY 43 -1.631 -4.886 -7.513 310 HA3 GLY 43 HA1 GLY 43 -0.131 -3.976 -7.294 311 H VAL 44 HN VAL 44 -1.394 -2.092 -5.452 312 HA VAL 44 HA VAL 44 -0.833 -3.329 -2.960 313 HB VAL 44 HB VAL 44 -2.329 -0.886 -3.892 314 HG11 VAL 44 HG11 VAL 44 -2.166 -1.906 -1.060 315 HG12 VAL 44 HG12 VAL 44 -3.605 -1.445 -1.960 316 HG13 VAL 44 HG13 VAL 44 -2.460 -0.213 -1.434 317 HG21 VAL 44 HG21 VAL 44 -0.498 0.201 -2.439 318 HG22 VAL 44 HG22 VAL 44 0.009 -0.569 -3.937 319 HG23 VAL 44 HG23 VAL 44 0.248 -1.396 -2.398 320 H MET 45 HN MET 45 -3.805 -2.785 -4.777 321 HA MET 45 HA MET 45 -5.597 -3.987 -2.881 322 HB2 MET 45 HB2 MET 45 -6.561 -4.337 -5.591 323 HB3 MET 45 HB1 MET 45 -7.118 -3.196 -4.373 324 HG2 MET 45 HG2 MET 45 -5.351 -1.608 -5.036 325 HG3 MET 45 HG1 MET 45 -4.772 -2.757 -6.238 326 HE1 MET 45 HE1 MET 45 -8.129 -1.169 -4.974 327 HE2 MET 45 HE2 MET 45 -8.473 -0.105 -6.334 328 HE3 MET 45 HE3 MET 45 -6.985 0.106 -5.417 329 H LEU 46 HN LEU 46 -3.975 -5.281 -5.782 330 HA LEU 46 HA LEU 46 -5.006 -7.922 -5.488 331 HB2 LEU 46 HB2 LEU 46 -2.305 -7.166 -6.623 332 HB3 LEU 46 HB1 LEU 46 -3.238 -8.616 -6.989 333 HG LEU 46 HG LEU 46 -4.176 -5.793 -7.551 334 HD11 LEU 46 HD11 LEU 46 -2.154 -6.673 -8.897 335 HD12 LEU 46 HD12 LEU 46 -3.542 -6.100 -9.820 336 HD13 LEU 46 HD13 LEU 46 -3.283 -7.830 -9.599 337 HD21 LEU 46 HD21 LEU 46 -5.309 -8.546 -8.065 338 HD22 LEU 46 HD22 LEU 46 -5.754 -7.189 -9.099 339 HD23 LEU 46 HD23 LEU 46 -6.106 -7.133 -7.375 340 H LYS 47 HN LYS 47 -1.814 -6.637 -4.542 341 HA LYS 47 HA LYS 47 -0.907 -8.863 -3.145 342 HB2 LYS 47 HB2 LYS 47 0.303 -6.649 -3.503 343 HB3 LYS 47 HB1 LYS 47 -0.608 -6.016 -2.149 344 HG2 LYS 47 HG2 LYS 47 1.319 -6.760 -1.064 345 HG3 LYS 47 HG1 LYS 47 0.259 -8.158 -0.902 346 HD2 LYS 47 HD2 LYS 47 2.161 -9.214 -1.735 347 HD3 LYS 47 HD1 LYS 47 1.354 -8.831 -3.254 348 HE2 LYS 47 HE2 LYS 47 3.405 -7.919 -3.760 349 HE3 LYS 47 HE1 LYS 47 2.751 -6.526 -2.896 350 HZ1 LYS 47 HZ1 LYS 47 4.574 -8.626 -1.885 351 HZ2 LYS 47 HZ2 LYS 47 3.706 -7.612 -0.834 352 HZ3 LYS 47 HZ3 LYS 47 4.823 -6.949 -1.930 353 H LEU 48 HN LEU 48 -3.405 -6.597 -2.325 354 HA LEU 48 HA LEU 48 -3.730 -7.672 0.390 355 HB2 LEU 48 HB2 LEU 48 -4.157 -5.355 0.179 356 HB3 LEU 48 HB1 LEU 48 -5.181 -5.578 -1.212 357 HG LEU 48 HG LEU 48 -6.897 -6.602 0.107 358 HD11 LEU 48 HD11 LEU 48 -6.463 -6.747 2.670 359 HD12 LEU 48 HD12 LEU 48 -4.761 -6.665 2.237 360 HD13 LEU 48 HD13 LEU 48 -5.749 -7.985 1.650 361 HD21 LEU 48 HD21 LEU 48 -5.822 -4.330 1.791 362 HD22 LEU 48 HD22 LEU 48 -7.504 -4.776 1.519 363 HD23 LEU 48 HD23 LEU 48 -6.554 -4.074 0.206 364 H VAL 49 HN VAL 49 -5.812 -7.482 -2.548 365 HA VAL 49 HA VAL 49 -7.792 -9.277 -1.592 366 HB VAL 49 HB VAL 49 -6.770 -8.918 -4.427 367 HG11 VAL 49 HG11 VAL 49 -7.939 -10.968 -4.451 368 HG12 VAL 49 HG12 VAL 49 -9.152 -9.784 -4.937 369 HG13 VAL 49 HG13 VAL 49 -9.133 -10.401 -3.284 370 HG21 VAL 49 HG21 VAL 49 -8.787 -7.471 -4.652 371 HG22 VAL 49 HG22 VAL 49 -7.663 -6.851 -3.428 372 HG23 VAL 49 HG23 VAL 49 -9.120 -7.714 -2.935 373 H GLU 50 HN GLU 50 -4.667 -9.829 -3.124 374 HA GLU 50 HA GLU 50 -4.866 -12.665 -3.343 375 HB2 GLU 50 HB2 GLU 50 -2.491 -10.820 -3.005 376 HB3 GLU 50 HB1 GLU 50 -2.336 -12.556 -3.288 377 HG2 GLU 50 HG2 GLU 50 -3.559 -12.374 -5.373 378 HG3 GLU 50 HG1 GLU 50 -3.881 -10.676 -5.086 379 H LYS 51 HN LYS 51 -3.608 -10.544 -0.717 380 HA LYS 51 HA LYS 51 -2.825 -12.631 1.039 381 HB2 LYS 51 HB2 LYS 51 -3.554 -9.764 1.290 382 HB3 LYS 51 HB1 LYS 51 -3.725 -10.693 2.764 383 HG2 LYS 51 HG2 LYS 51 -1.389 -11.484 2.535 384 HG3 LYS 51 HG1 LYS 51 -1.229 -10.551 1.051 385 HD2 LYS 51 HD2 LYS 51 -0.252 -9.347 2.978 386 HD3 LYS 51 HD1 LYS 51 -1.612 -8.466 2.292 387 HE2 LYS 51 HE2 LYS 51 -1.445 -8.787 4.903 388 HE3 LYS 51 HE1 LYS 51 -3.008 -8.936 4.105 389 HZ1 LYS 51 HZ1 LYS 51 -2.129 -10.772 5.732 390 HZ2 LYS 51 HZ2 LYS 51 -1.338 -11.329 4.336 391 HZ3 LYS 51 HZ3 LYS 51 -3.030 -11.183 4.356 392 H LEU 52 HN LEU 52 -5.965 -10.863 0.965 393 HA LEU 52 HA LEU 52 -7.249 -12.657 2.808 394 HB2 LEU 52 HB2 LEU 52 -8.487 -10.942 0.631 395 HB3 LEU 52 HB1 LEU 52 -9.357 -11.664 1.982 396 HG LEU 52 HG LEU 52 -7.015 -9.790 2.368 397 HD11 LEU 52 HD11 LEU 52 -9.962 -9.187 2.071 398 HD12 LEU 52 HD12 LEU 52 -8.612 -8.467 1.193 399 HD13 LEU 52 HD13 LEU 52 -8.856 -8.090 2.899 400 HD21 LEU 52 HD21 LEU 52 -7.428 -10.968 4.380 401 HD22 LEU 52 HD22 LEU 52 -9.175 -10.934 4.149 402 HD23 LEU 52 HD23 LEU 52 -8.316 -9.462 4.590 403 H ASP 53 HN ASP 53 -9.533 -12.839 0.597 404 HA ASP 53 HA ASP 53 -8.825 -15.605 -0.153 405 HB2 ASP 53 HB2 ASP 53 -11.125 -14.903 0.674 406 HB3 ASP 53 HB1 ASP 53 -11.336 -14.073 -0.869 407 H VAL 54 HN VAL 54 -9.060 -16.324 -2.423 408 HA VAL 54 HA VAL 54 -7.970 -14.281 -4.295 409 HB VAL 54 HB VAL 54 -8.258 -17.223 -4.914 410 HG11 VAL 54 HG11 VAL 54 -6.248 -16.806 -6.241 411 HG12 VAL 54 HG12 VAL 54 -6.139 -15.164 -5.608 412 HG13 VAL 54 HG13 VAL 54 -7.479 -15.615 -6.661 413 HG21 VAL 54 HG21 VAL 54 -7.246 -17.208 -2.715 414 HG22 VAL 54 HG22 VAL 54 -6.155 -15.901 -3.175 415 HG23 VAL 54 HG23 VAL 54 -5.969 -17.500 -3.896 416 H LYS 55 HN LYS 55 -10.895 -14.591 -3.478 417 HA LYS 55 HA LYS 55 -12.010 -14.801 -6.258 418 HB2 LYS 55 HB2 LYS 55 -13.311 -15.765 -3.691 419 HB3 LYS 55 HB1 LYS 55 -14.064 -15.777 -5.283 420 HG2 LYS 55 HG2 LYS 55 -11.424 -17.170 -4.819 421 HG3 LYS 55 HG1 LYS 55 -12.942 -17.970 -4.423 422 HD2 LYS 55 HD2 LYS 55 -13.709 -17.495 -6.790 423 HD3 LYS 55 HD1 LYS 55 -12.070 -16.946 -7.139 424 HE2 LYS 55 HE2 LYS 55 -11.278 -19.207 -6.239 425 HE3 LYS 55 HE1 LYS 55 -12.966 -19.712 -6.318 426 HZ1 LYS 55 HZ1 LYS 55 -11.604 -20.224 -8.331 427 HZ2 LYS 55 HZ2 LYS 55 -11.508 -18.554 -8.624 428 HZ3 LYS 55 HZ3 LYS 55 -13.016 -19.336 -8.636 429 H LYS 56 HN LYS 56 -11.265 -12.677 -3.974 430 HA LYS 56 HA LYS 56 -13.818 -11.286 -3.677 431 HB2 LYS 56 HB2 LYS 56 -11.392 -11.237 -2.314 432 HB3 LYS 56 HB1 LYS 56 -11.359 -9.708 -3.176 433 HG2 LYS 56 HG2 LYS 56 -12.455 -9.139 -1.180 434 HG3 LYS 56 HG1 LYS 56 -13.796 -9.412 -2.290 435 HD2 LYS 56 HD2 LYS 56 -14.491 -10.696 -0.471 436 HD3 LYS 56 HD1 LYS 56 -13.621 -11.911 -1.408 437 HE2 LYS 56 HE2 LYS 56 -12.718 -12.208 0.733 438 HE3 LYS 56 HE1 LYS 56 -11.544 -11.116 0.000 439 HZ1 LYS 56 HZ1 LYS 56 -13.091 -10.694 2.280 440 HZ2 LYS 56 HZ2 LYS 56 -13.636 -9.601 1.098 441 HZ3 LYS 56 HZ3 LYS 56 -11.998 -9.624 1.548 442 H ASP 57 HN ASP 57 -14.002 -8.986 -4.418 443 HA ASP 57 HA ASP 57 -13.592 -8.896 -7.282 444 HB2 ASP 57 HB2 ASP 57 -14.404 -6.544 -5.594 445 HB3 ASP 57 HB1 ASP 57 -14.924 -6.970 -7.226 446 H TRP 58 HN TRP 58 -12.335 -7.337 -8.421 447 HA TRP 58 HA TRP 58 -9.979 -6.302 -6.933 448 HB2 TRP 58 HB2 TRP 58 -10.166 -6.817 -9.903 449 HB3 TRP 58 HB1 TRP 58 -8.725 -6.613 -8.922 450 HD1 TRP 58 HD1 TRP 58 -7.872 -8.672 -7.529 451 HE1 TRP 58 HE1 TRP 58 -8.500 -11.173 -7.538 452 HE3 TRP 58 HE3 TRP 58 -12.189 -8.484 -10.247 453 HZ2 TRP 58 HZ2 TRP 58 -10.564 -12.869 -8.564 454 HZ3 TRP 58 HZ3 TRP 58 -13.466 -10.553 -10.725 455 HH2 TRP 58 HH2 TRP 58 -12.660 -12.744 -9.888 456 H SER 59 HN SER 59 -11.083 -5.376 -10.172 457 HA SER 59 HA SER 59 -10.615 -2.611 -9.730 458 HB2 SER 59 HB2 SER 59 -11.455 -2.271 -11.893 459 HB3 SER 59 HB1 SER 59 -10.871 -3.932 -11.948 460 HG SER 59 HG SER 59 -13.520 -2.976 -11.667 461 H ASP 60 HN ASP 60 -12.912 -4.309 -8.146 462 HA ASP 60 HA ASP 60 -15.025 -2.202 -8.373 463 HB2 ASP 60 HB2 ASP 60 -15.505 -4.755 -8.485 464 HB3 ASP 60 HB1 ASP 60 -15.255 -4.726 -6.742 465 H HIS 61 HN HIS 61 -13.050 -3.880 -5.888 466 HA HIS 61 HA HIS 61 -14.034 -2.222 -3.755 467 HB2 HIS 61 HB2 HIS 61 -12.169 -3.191 -2.461 468 HB3 HIS 61 HB1 HIS 61 -13.091 -4.431 -3.301 469 HD1 HIS 61 HD1 HIS 61 -10.652 -2.285 -5.179 470 HD2 HIS 61 HD2 HIS 61 -10.802 -6.125 -3.570 471 HE1 HIS 61 HE1 HIS 61 -8.663 -3.528 -6.101 472 H ALA 62 HN ALA 62 -12.225 -0.995 -2.398 473 HA ALA 62 HA ALA 62 -10.247 0.411 -4.071 474 HB1 ALA 62 HB1 ALA 62 -11.291 2.648 -3.672 475 HB2 ALA 62 HB2 ALA 62 -12.708 1.827 -3.017 476 HB3 ALA 62 HB3 ALA 62 -12.268 1.611 -4.713 477 H LEU 63 HN LEU 63 -9.016 2.073 -2.750 478 HA LEU 63 HA LEU 63 -9.050 1.336 0.142 479 HB2 LEU 63 HB2 LEU 63 -6.855 2.652 -1.459 480 HB3 LEU 63 HB1 LEU 63 -6.738 2.065 0.189 481 HG LEU 63 HG LEU 63 -5.702 0.411 -1.117 482 HD11 LEU 63 HD11 LEU 63 -7.469 -0.361 0.533 483 HD12 LEU 63 HD12 LEU 63 -6.956 -1.533 -0.680 484 HD13 LEU 63 HD13 LEU 63 -8.489 -0.682 -0.871 485 HD21 LEU 63 HD21 LEU 63 -6.325 -0.368 -3.222 486 HD22 LEU 63 HD22 LEU 63 -6.899 1.302 -3.300 487 HD23 LEU 63 HD23 LEU 63 -8.033 -0.001 -2.958 488 H TRP 64 HN TRP 64 -9.913 2.892 1.482 489 HA TRP 64 HA TRP 64 -10.137 5.657 0.425 490 HB2 TRP 64 HB2 TRP 64 -11.709 4.157 2.166 491 HB3 TRP 64 HB1 TRP 64 -10.835 5.186 3.278 492 HD1 TRP 64 HD1 TRP 64 -12.611 5.758 -0.123 493 HE1 TRP 64 HE1 TRP 64 -14.011 7.911 0.067 494 HE3 TRP 64 HE3 TRP 64 -11.539 7.078 4.691 495 HZ2 TRP 64 HZ2 TRP 64 -14.601 9.928 2.006 496 HZ3 TRP 64 HZ3 TRP 64 -12.535 9.118 5.684 497 HH2 TRP 64 HH2 TRP 64 -14.063 10.544 4.350 498 H TRP 65 HN TRP 65 -8.560 7.164 0.839 499 HA TRP 65 HA TRP 65 -6.370 6.409 2.703 500 HB2 TRP 65 HB2 TRP 65 -5.996 7.252 0.315 501 HB3 TRP 65 HB1 TRP 65 -6.486 8.833 0.902 502 HD1 TRP 65 HD1 TRP 65 -4.818 7.584 3.798 503 HE1 TRP 65 HE1 TRP 65 -2.328 8.205 3.853 504 HE3 TRP 65 HE3 TRP 65 -4.135 8.955 -1.079 505 HZ2 TRP 65 HZ2 TRP 65 -0.306 9.167 2.080 506 HZ3 TRP 65 HZ3 TRP 65 -1.917 9.730 -1.859 507 HH2 TRP 65 HH2 TRP 65 -0.003 9.838 -0.290 508 H GLU 66 HN GLU 66 -6.654 7.120 4.782 509 HA GLU 66 HA GLU 66 -8.479 9.149 5.571 510 HB2 GLU 66 HB2 GLU 66 -7.121 9.159 7.719 511 HB3 GLU 66 HB1 GLU 66 -7.722 7.578 7.216 512 HG2 GLU 66 HG2 GLU 66 -5.563 7.030 6.225 513 HG3 GLU 66 HG1 GLU 66 -4.949 8.637 6.606 514 H LYS 67 HN LYS 67 -5.127 9.362 4.470 515 HA LYS 67 HA LYS 67 -4.385 11.862 5.498 516 HB2 LYS 67 HB2 LYS 67 -2.933 10.397 4.151 517 HB3 LYS 67 HB1 LYS 67 -3.864 10.840 2.714 518 HG2 LYS 67 HG2 LYS 67 -3.273 13.179 2.995 519 HG3 LYS 67 HG1 LYS 67 -2.445 12.818 4.514 520 HD2 LYS 67 HD2 LYS 67 -0.795 11.485 3.372 521 HD3 LYS 67 HD1 LYS 67 -1.704 11.598 1.869 522 HE2 LYS 67 HE2 LYS 67 -1.234 13.922 1.631 523 HE3 LYS 67 HE1 LYS 67 -0.655 14.040 3.293 524 HZ1 LYS 67 HZ1 LYS 67 1.355 13.293 2.723 525 HZ2 LYS 67 HZ2 LYS 67 0.910 13.670 1.126 526 HZ3 LYS 67 HZ3 LYS 67 0.738 12.082 1.708 527 H LYS 68 HN LYS 68 -6.006 11.302 2.351 528 HA LYS 68 HA LYS 68 -7.029 14.129 2.474 529 HB2 LYS 68 HB2 LYS 68 -5.922 12.480 0.206 530 HB3 LYS 68 HB1 LYS 68 -7.098 13.746 -0.141 531 HG2 LYS 68 HG2 LYS 68 -4.708 14.378 1.588 532 HG3 LYS 68 HG1 LYS 68 -4.518 14.311 -0.162 533 HD2 LYS 68 HD2 LYS 68 -6.391 15.952 -0.391 534 HD3 LYS 68 HD1 LYS 68 -6.450 16.084 1.366 535 HE2 LYS 68 HE2 LYS 68 -4.079 16.813 1.374 536 HE3 LYS 68 HE1 LYS 68 -4.065 16.733 -0.388 537 HZ1 LYS 68 HZ1 LYS 68 -6.124 18.264 -0.160 538 HZ2 LYS 68 HZ2 LYS 68 -4.566 18.927 -0.014 539 HZ3 LYS 68 HZ3 LYS 68 -5.490 18.606 1.375 540 H ARG 69 HN ARG 69 -7.972 11.149 3.043 541 HA ARG 69 HA ARG 69 -10.008 9.972 2.834 542 HB2 ARG 69 HB2 ARG 69 -10.954 12.850 2.638 543 HB3 ARG 69 HB1 ARG 69 -12.038 11.474 2.811 544 HG2 ARG 69 HG2 ARG 69 -11.795 12.032 5.050 545 HG3 ARG 69 HG1 ARG 69 -10.439 10.921 4.895 546 HD2 ARG 69 HD2 ARG 69 -9.432 12.766 5.921 547 HD3 ARG 69 HD1 ARG 69 -9.104 13.093 4.222 548 HE ARG 69 HE ARG 69 -10.616 14.915 4.321 549 HH11 ARG 69 HH21 ARG 69 -10.834 12.844 7.070 550 HH12 ARG 69 HH22 ARG 69 -11.858 13.918 7.964 551 HH21 ARG 69 HH11 ARG 69 -11.952 16.327 5.472 552 HH22 ARG 69 HH12 ARG 69 -12.491 15.890 7.058 553 H THR 70 HN THR 70 -8.561 10.083 0.439 554 HA THR 70 HA THR 70 -10.695 10.448 -1.633 555 HB THR 70 HB THR 70 -8.591 11.891 -1.803 556 HG1 THR 70 HG1 THR 70 -9.794 10.313 -3.663 557 HG21 THR 70 HG21 THR 70 -6.526 10.884 -2.434 558 HG22 THR 70 HG22 THR 70 -7.283 9.309 -2.678 559 HG23 THR 70 HG23 THR 70 -7.097 9.955 -1.048 560 H TRP 71 HN TRP 71 -9.519 8.924 -3.624 561 HA TRP 71 HA TRP 71 -9.326 6.197 -2.416 562 HB2 TRP 71 HB2 TRP 71 -10.433 6.474 -5.164 563 HB3 TRP 71 HB1 TRP 71 -10.908 5.397 -3.867 564 HD1 TRP 71 HD1 TRP 71 -11.794 7.284 -1.633 565 HE1 TRP 71 HE1 TRP 71 -13.805 8.869 -1.905 566 HE3 TRP 71 HE3 TRP 71 -12.039 7.521 -6.725 567 HZ2 TRP 71 HZ2 TRP 71 -15.322 10.078 -4.008 568 HZ3 TRP 71 HZ3 TRP 71 -13.777 8.893 -7.837 569 HH2 TRP 71 HH2 TRP 71 -15.418 10.171 -6.486 570 H LEU 72 HN LEU 72 -7.970 4.736 -3.523 571 HA LEU 72 HA LEU 72 -5.971 6.002 -5.367 572 HB2 LEU 72 HB2 LEU 72 -5.429 3.372 -4.019 573 HB3 LEU 72 HB1 LEU 72 -4.321 4.684 -4.414 574 HG LEU 72 HG LEU 72 -6.408 4.833 -2.237 575 HD11 LEU 72 HD11 LEU 72 -3.437 4.432 -1.960 576 HD12 LEU 72 HD12 LEU 72 -4.627 3.134 -1.845 577 HD13 LEU 72 HD13 LEU 72 -4.645 4.452 -0.676 578 HD21 LEU 72 HD21 LEU 72 -4.214 6.658 -3.235 579 HD22 LEU 72 HD22 LEU 72 -4.780 6.760 -1.573 580 HD23 LEU 72 HD23 LEU 72 -5.901 7.045 -2.902 581 H LEU 73 HN LEU 73 -6.389 5.449 -7.439 582 HA LEU 73 HA LEU 73 -7.492 2.721 -8.000 583 HB2 LEU 73 HB2 LEU 73 -8.173 4.284 -10.211 584 HB3 LEU 73 HB1 LEU 73 -9.246 3.845 -8.898 585 HG LEU 73 HG LEU 73 -7.484 6.267 -8.629 586 HD11 LEU 73 HD11 LEU 73 -8.535 6.779 -10.665 587 HD12 LEU 73 HD12 LEU 73 -9.544 7.554 -9.445 588 HD13 LEU 73 HD13 LEU 73 -10.052 6.028 -10.170 589 HD21 LEU 73 HD21 LEU 73 -10.295 6.030 -7.601 590 HD22 LEU 73 HD22 LEU 73 -8.910 6.860 -6.894 591 HD23 LEU 73 HD23 LEU 73 -9.036 5.109 -6.784 592 H LYS 74 HN LYS 74 -5.705 5.317 -9.728 593 HA LYS 74 HA LYS 74 -4.715 3.450 -11.625 594 HB2 LYS 74 HB2 LYS 74 -3.659 5.209 -12.694 595 HB3 LYS 74 HB1 LYS 74 -5.028 5.959 -11.894 596 HG2 LYS 74 HG2 LYS 74 -2.351 5.892 -10.499 597 HG3 LYS 74 HG1 LYS 74 -2.662 7.068 -11.746 598 HD2 LYS 74 HD2 LYS 74 -3.277 8.170 -9.783 599 HD3 LYS 74 HD1 LYS 74 -4.803 7.661 -10.448 600 HE2 LYS 74 HE2 LYS 74 -5.241 6.504 -8.551 601 HE3 LYS 74 HE1 LYS 74 -3.767 5.591 -8.719 602 HZ1 LYS 74 HZ1 LYS 74 -2.854 6.746 -7.098 603 HZ2 LYS 74 HZ2 LYS 74 -4.330 7.553 -6.861 604 HZ3 LYS 74 HZ3 LYS 74 -3.158 8.208 -7.903 605 H THR 75 HN THR 75 -2.732 2.556 -11.973 606 HA THR 75 HA THR 75 -1.151 2.015 -9.557 607 HB THR 75 HB THR 75 -1.423 0.110 -10.945 608 HG1 THR 75 HG1 THR 75 0.678 -0.293 -11.642 609 HG21 THR 75 HG21 THR 75 -0.854 2.040 -13.197 610 HG22 THR 75 HG22 THR 75 -2.285 1.039 -12.939 611 HG23 THR 75 HG23 THR 75 -0.764 0.293 -13.426 612 H HIS 76 HN HIS 76 -0.942 3.857 -12.521 613 HA HIS 76 HA HIS 76 1.728 4.498 -12.807 614 HB2 HIS 76 HB2 HIS 76 -0.132 5.346 -14.228 615 HB3 HIS 76 HB1 HIS 76 -0.550 6.478 -12.939 616 HD1 HIS 76 HD1 HIS 76 0.342 8.732 -13.496 617 HD2 HIS 76 HD2 HIS 76 2.978 5.721 -14.663 618 HE1 HIS 76 HE1 HIS 76 2.379 9.894 -14.452 619 H TRP 77 HN TRP 77 -0.243 5.304 -10.109 620 HA TRP 77 HA TRP 77 1.821 7.242 -9.106 621 HB2 TRP 77 HB2 TRP 77 -1.146 7.022 -8.741 622 HB3 TRP 77 HB1 TRP 77 -0.184 7.736 -7.456 623 HD1 TRP 77 HD1 TRP 77 -0.018 8.091 -11.311 624 HE1 TRP 77 HE1 TRP 77 0.028 10.605 -11.881 625 HE3 TRP 77 HE3 TRP 77 -0.363 10.068 -6.617 626 HZ2 TRP 77 HZ2 TRP 77 -0.069 13.121 -10.526 627 HZ3 TRP 77 HZ3 TRP 77 -0.385 12.524 -6.284 628 HH2 TRP 77 HH2 TRP 77 -0.239 14.052 -8.232 629 H THR 78 HN THR 78 2.846 5.022 -8.701 630 HA THR 78 HA THR 78 2.086 3.138 -6.818 631 HB THR 78 HB THR 78 4.901 4.073 -6.535 632 HG1 THR 78 HG1 THR 78 4.366 3.040 -9.030 633 HG21 THR 78 HG21 THR 78 3.540 1.495 -7.260 634 HG22 THR 78 HG22 THR 78 4.660 1.827 -5.949 635 HG23 THR 78 HG23 THR 78 5.246 1.714 -7.596 636 H LEU 79 HN LEU 79 2.809 3.002 -4.482 637 HA LEU 79 HA LEU 79 1.807 5.150 -2.940 638 HB2 LEU 79 HB2 LEU 79 3.954 3.690 -1.531 639 HB3 LEU 79 HB1 LEU 79 2.240 3.784 -1.165 640 HG LEU 79 HG LEU 79 1.881 2.139 -3.095 641 HD11 LEU 79 HD11 LEU 79 3.660 1.112 -4.102 642 HD12 LEU 79 HD12 LEU 79 4.685 1.247 -2.714 643 HD13 LEU 79 HD13 LEU 79 4.467 2.627 -3.755 644 HD21 LEU 79 HD21 LEU 79 3.571 0.685 -1.108 645 HD22 LEU 79 HD22 LEU 79 1.899 0.404 -1.589 646 HD23 LEU 79 HD23 LEU 79 2.269 1.659 -0.418 647 H ASP 80 HN ASP 80 5.160 4.265 -3.643 648 HA ASP 80 HA ASP 80 6.380 6.488 -2.414 649 HB2 ASP 80 HB2 ASP 80 7.993 5.010 -3.067 650 HB3 ASP 80 HB1 ASP 80 7.126 4.518 -4.498 651 H LYS 81 HN LYS 81 5.092 6.188 -5.755 652 HA LYS 81 HA LYS 81 5.854 8.689 -6.757 653 HB2 LYS 81 HB2 LYS 81 3.638 6.828 -7.276 654 HB3 LYS 81 HB1 LYS 81 3.170 8.487 -7.579 655 HG2 LYS 81 HG2 LYS 81 4.019 7.807 -9.639 656 HG3 LYS 81 HG1 LYS 81 5.382 8.644 -8.943 657 HD2 LYS 81 HD2 LYS 81 6.658 6.758 -9.084 658 HD3 LYS 81 HD1 LYS 81 5.507 5.873 -8.100 659 HE2 LYS 81 HE2 LYS 81 5.710 4.763 -10.255 660 HE3 LYS 81 HE1 LYS 81 4.107 5.502 -10.120 661 HZ1 LYS 81 HZ1 LYS 81 5.305 7.503 -11.230 662 HZ2 LYS 81 HZ2 LYS 81 4.766 6.204 -12.184 663 HZ3 LYS 81 HZ3 LYS 81 6.406 6.325 -11.756 664 H TYR 82 HN TYR 82 3.148 7.900 -4.650 665 HA TYR 82 HA TYR 82 2.276 10.665 -4.407 666 HB2 TYR 82 HB2 TYR 82 1.278 8.097 -3.662 667 HB3 TYR 82 HB1 TYR 82 1.431 8.996 -2.158 668 HD1 TYR 82 HD1 TYR 82 0.771 11.689 -2.677 669 HD2 TYR 82 HD2 TYR 82 -0.901 8.183 -4.517 670 HE1 TYR 82 HE1 TYR 82 -1.295 12.953 -3.212 671 HE2 TYR 82 HE2 TYR 82 -2.966 9.449 -5.050 672 HH TYR 82 HH TYR 82 -3.687 12.453 -3.670 673 H GLY 83 HN GLY 83 4.808 8.804 -3.062 674 HA2 GLY 83 HA2 GLY 83 6.561 9.641 -1.671 675 HA3 GLY 83 HA1 GLY 83 5.572 11.062 -1.314 676 H ILE 84 HN ILE 84 4.481 7.765 -1.168 677 HA ILE 84 HA ILE 84 3.648 8.162 1.639 678 HB ILE 84 HB ILE 84 2.929 6.395 -0.626 679 HG12 ILE 84 HG12 ILE 84 1.255 7.125 1.778 680 HG13 ILE 84 HG11 ILE 84 1.559 8.274 0.477 681 HG21 ILE 84 HG21 ILE 84 3.671 4.586 0.719 682 HG22 ILE 84 HG22 ILE 84 1.921 4.667 0.941 683 HG23 ILE 84 HG23 ILE 84 2.993 5.300 2.185 684 HD11 ILE 84 HD11 ILE 84 -0.576 6.821 0.306 685 HD12 ILE 84 HD12 ILE 84 0.517 5.500 -0.104 686 HD13 ILE 84 HD13 ILE 84 0.446 6.936 -1.126 687 H GLN 85 HN GLN 85 4.329 6.903 3.354 688 HA GLN 85 HA GLN 85 6.703 5.127 2.935 689 HB2 GLN 85 HB2 GLN 85 6.273 7.192 5.118 690 HB3 GLN 85 HB1 GLN 85 7.590 6.019 5.091 691 HG2 GLN 85 HG2 GLN 85 8.566 6.985 3.162 692 HG3 GLN 85 HG1 GLN 85 7.098 7.881 2.774 693 HE21 GLN 85 HE21 GLN 85 6.504 9.680 4.351 694 HE22 GLN 85 HE22 GLN 85 7.756 10.478 5.173 695 H ALA 86 HN ALA 86 6.869 4.516 5.747 696 HA ALA 86 HA ALA 86 4.646 2.616 5.919 697 HB1 ALA 86 HB1 ALA 86 5.969 1.506 7.441 698 HB2 ALA 86 HB2 ALA 86 6.473 2.993 8.249 699 HB3 ALA 86 HB3 ALA 86 7.235 2.511 6.738 700 H ASP 87 HN ASP 87 5.042 5.827 6.685 701 HA ASP 87 HA ASP 87 3.443 5.789 9.168 702 HB2 ASP 87 HB2 ASP 87 5.337 7.438 8.707 703 HB3 ASP 87 HB1 ASP 87 4.263 8.190 7.528 704 H ALA 88 HN ALA 88 2.745 5.208 6.154 705 HA ALA 88 HA ALA 88 0.354 6.961 5.891 706 HB1 ALA 88 HB1 ALA 88 1.270 4.784 3.998 707 HB2 ALA 88 HB2 ALA 88 1.923 6.421 3.948 708 HB3 ALA 88 HB3 ALA 88 0.206 6.146 3.648 709 H LYS 89 HN LYS 89 -1.429 6.255 6.939 710 HA LYS 89 HA LYS 89 -1.849 3.337 7.356 711 HB2 LYS 89 HB2 LYS 89 -2.952 5.858 8.589 712 HB3 LYS 89 HB1 LYS 89 -3.901 4.393 8.671 713 HG2 LYS 89 HG2 LYS 89 -2.501 4.603 10.677 714 HG3 LYS 89 HG1 LYS 89 -2.026 3.199 9.727 715 HD2 LYS 89 HD2 LYS 89 -0.051 4.468 10.492 716 HD3 LYS 89 HD1 LYS 89 -0.172 4.473 8.736 717 HE2 LYS 89 HE2 LYS 89 0.327 6.722 9.969 718 HE3 LYS 89 HE1 LYS 89 -0.853 6.715 8.661 719 HZ1 LYS 89 HZ1 LYS 89 -1.541 7.861 10.774 720 HZ2 LYS 89 HZ2 LYS 89 -1.614 6.324 11.494 721 HZ3 LYS 89 HZ3 LYS 89 -2.624 6.698 10.179 722 H LEU 90 HN LEU 90 -2.747 2.488 5.477 723 HA LEU 90 HA LEU 90 -4.646 4.094 3.913 724 HB2 LEU 90 HB2 LEU 90 -3.690 1.245 3.577 725 HB3 LEU 90 HB1 LEU 90 -4.667 2.140 2.416 726 HG LEU 90 HG LEU 90 -1.935 3.008 3.391 727 HD11 LEU 90 HD11 LEU 90 -1.758 0.977 2.043 728 HD12 LEU 90 HD12 LEU 90 -1.177 2.356 1.112 729 HD13 LEU 90 HD13 LEU 90 -2.779 1.690 0.794 730 HD21 LEU 90 HD21 LEU 90 -3.984 4.184 1.536 731 HD22 LEU 90 HD22 LEU 90 -2.281 4.408 1.138 732 HD23 LEU 90 HD23 LEU 90 -2.909 4.990 2.677 733 H GLN 91 HN GLN 91 -6.592 2.903 3.157 734 HA GLN 91 HA GLN 91 -7.937 1.383 5.268 735 HB2 GLN 91 HB2 GLN 91 -9.487 3.469 3.845 736 HB3 GLN 91 HB1 GLN 91 -9.839 2.670 5.346 737 HG2 GLN 91 HG2 GLN 91 -8.233 3.907 6.551 738 HG3 GLN 91 HG1 GLN 91 -7.445 4.485 5.098 739 HE21 GLN 91 HE21 GLN 91 -8.179 6.426 4.229 740 HE22 GLN 91 HE22 GLN 91 -9.562 7.251 4.756 741 H PHE 92 HN PHE 92 -10.023 0.525 4.276 742 HA PHE 92 HA PHE 92 -9.670 -0.182 1.412 743 HB2 PHE 92 HB2 PHE 92 -9.122 -2.034 3.128 744 HB3 PHE 92 HB1 PHE 92 -10.823 -2.068 3.429 745 HD1 PHE 92 HD2 PHE 92 -8.220 -2.630 0.927 746 HD2 PHE 92 HD1 PHE 92 -12.397 -2.939 1.827 747 HE1 PHE 92 HE2 PHE 92 -8.534 -4.094 -1.051 748 HE2 PHE 92 HE1 PHE 92 -12.718 -4.406 -0.142 749 HZ PHE 92 HZ PHE 92 -10.786 -4.983 -1.570 750 H THR 93 HN THR 93 -11.629 -0.423 0.354 751 HA THR 93 HA THR 93 -14.135 -0.127 1.775 752 HB THR 93 HB THR 93 -13.643 2.120 2.058 753 HG1 THR 93 HG1 THR 93 -14.689 3.085 -0.024 754 HG21 THR 93 HG21 THR 93 -12.418 1.976 -0.698 755 HG22 THR 93 HG22 THR 93 -11.592 2.241 0.835 756 HG23 THR 93 HG23 THR 93 -12.652 3.482 0.174 757 HA PRO 94 HA PRO 94 -15.499 -1.944 -2.010 758 HB2 PRO 94 HB2 PRO 94 -18.184 -1.442 -1.943 759 HB3 PRO 94 HB1 PRO 94 -17.400 -2.597 -0.845 760 HG2 PRO 94 HG2 PRO 94 -18.193 0.243 -0.339 761 HG3 PRO 94 HG1 PRO 94 -18.408 -1.185 0.693 762 HD2 PRO 94 HD2 PRO 94 -16.381 0.594 1.087 763 HD3 PRO 94 HD1 PRO 94 -16.208 -1.137 1.452 Start of MODEL 8 1 H MET 1 HT1 MET 1 39.919 1.605 1.690 2 HA MET 1 HA MET 1 37.683 2.289 1.421 3 HB2 MET 1 HB2 MET 1 37.855 -0.671 2.052 4 HB3 MET 1 HB1 MET 1 36.576 0.092 1.107 5 HG2 MET 1 HG2 MET 1 38.062 0.677 -0.640 6 HG3 MET 1 HG1 MET 1 39.483 0.401 0.363 7 HE1 MET 1 HE1 MET 1 39.981 -0.890 -2.190 8 HE2 MET 1 HE2 MET 1 40.394 -2.528 -1.690 9 HE3 MET 1 HE3 MET 1 40.879 -1.161 -0.690 10 H ALA 2 HN ALA 2 35.431 0.837 2.317 11 HA ALA 2 HA ALA 2 35.206 0.692 5.162 12 HB1 ALA 2 HB1 ALA 2 34.380 3.301 3.874 13 HB2 ALA 2 HB2 ALA 2 35.462 3.067 5.247 14 HB3 ALA 2 HB3 ALA 2 33.735 2.753 5.422 15 H LEU 3 HN LEU 3 33.904 -1.070 4.826 16 HA LEU 3 HA LEU 3 31.766 -1.150 2.884 17 HB2 LEU 3 HB2 LEU 3 31.977 -2.876 5.361 18 HB3 LEU 3 HB1 LEU 3 31.286 -3.290 3.801 19 HG LEU 3 HG LEU 3 34.207 -2.802 4.421 20 HD11 LEU 3 HD11 LEU 3 33.590 -4.998 5.100 21 HD12 LEU 3 HD12 LEU 3 34.340 -5.187 3.516 22 HD13 LEU 3 HD13 LEU 3 32.585 -5.238 3.670 23 HD21 LEU 3 HD21 LEU 3 34.436 -3.549 1.961 24 HD22 LEU 3 HD22 LEU 3 33.883 -1.901 2.255 25 HD23 LEU 3 HD23 LEU 3 32.724 -3.153 1.814 26 H ASP 4 HN ASP 4 31.453 -1.502 6.362 27 HA ASP 4 HA ASP 4 30.012 -0.572 7.920 28 HB2 ASP 4 HB2 ASP 4 29.596 1.646 7.628 29 HB3 ASP 4 HB1 ASP 4 30.381 1.480 6.067 30 H GLY 5 HN GLY 5 29.002 -1.620 4.786 31 HA2 GLY 5 HA2 GLY 5 27.209 -3.521 5.396 32 HA3 GLY 5 HA1 GLY 5 26.242 -2.090 5.714 33 H ILE 6 HN ILE 6 27.803 -0.742 3.432 34 HA ILE 6 HA ILE 6 25.973 -0.732 1.400 35 HB ILE 6 HB ILE 6 28.964 -0.811 0.978 36 HG12 ILE 6 HG12 ILE 6 27.101 1.498 1.622 37 HG13 ILE 6 HG11 ILE 6 28.308 0.816 2.705 38 HG21 ILE 6 HG21 ILE 6 27.634 -0.968 -1.114 39 HG22 ILE 6 HG22 ILE 6 28.460 0.580 -1.010 40 HG23 ILE 6 HG23 ILE 6 26.738 0.475 -0.646 41 HD11 ILE 6 HD11 ILE 6 28.830 2.230 0.079 42 HD12 ILE 6 HD12 ILE 6 30.072 1.406 1.023 43 HD13 ILE 6 HD13 ILE 6 29.242 2.810 1.694 44 H ARG 7 HN ARG 7 28.031 -3.382 2.207 45 HA ARG 7 HA ARG 7 27.958 -4.785 -0.291 46 HB2 ARG 7 HB2 ARG 7 29.539 -5.433 1.423 47 HB3 ARG 7 HB1 ARG 7 28.249 -5.740 2.568 48 HG2 ARG 7 HG2 ARG 7 29.203 -7.822 1.516 49 HG3 ARG 7 HG1 ARG 7 27.464 -7.639 1.296 50 HD2 ARG 7 HD2 ARG 7 27.697 -7.017 -0.965 51 HD3 ARG 7 HD1 ARG 7 29.389 -6.584 -0.761 52 HE ARG 7 HE ARG 7 28.353 -9.260 -1.289 53 HH11 ARG 7 HH21 ARG 7 30.864 -7.348 0.096 54 HH12 ARG 7 HH22 ARG 7 32.071 -8.580 -0.065 55 HH21 ARG 7 HH11 ARG 7 29.912 -10.879 -1.506 56 HH22 ARG 7 HH12 ARG 7 31.532 -10.579 -0.971 57 H MET 8 HN MET 8 25.948 -4.986 2.609 58 HA MET 8 HA MET 8 24.011 -6.714 1.161 59 HB2 MET 8 HB2 MET 8 23.394 -7.526 3.273 60 HB3 MET 8 HB1 MET 8 25.090 -7.165 3.495 61 HG2 MET 8 HG2 MET 8 24.554 -5.010 4.510 62 HG3 MET 8 HG1 MET 8 22.838 -5.301 4.265 63 HE1 MET 8 HE1 MET 8 25.766 -7.258 7.110 64 HE2 MET 8 HE2 MET 8 26.061 -6.453 5.572 65 HE3 MET 8 HE3 MET 8 25.564 -8.142 5.591 66 HA PRO 9 HA PRO 9 20.753 -3.776 0.790 67 HB2 PRO 9 HB2 PRO 9 19.219 -4.895 3.115 68 HB3 PRO 9 HB1 PRO 9 18.684 -4.599 1.446 69 HG2 PRO 9 HG2 PRO 9 19.190 -7.055 2.213 70 HG3 PRO 9 HG1 PRO 9 19.777 -6.492 0.636 71 HD2 PRO 9 HD2 PRO 9 21.304 -6.781 3.205 72 HD3 PRO 9 HD1 PRO 9 21.787 -7.277 1.561 73 H ASP 10 HN ASP 10 22.727 -3.765 3.377 74 HA ASP 10 HA ASP 10 21.454 -1.854 5.127 75 HB2 ASP 10 HB2 ASP 10 24.296 -2.710 4.652 76 HB3 ASP 10 HB1 ASP 10 23.966 -1.326 5.689 77 H GLY 11 HN GLY 11 23.813 -1.578 2.512 78 HA2 GLY 11 HA2 GLY 11 22.762 1.135 1.873 79 HA3 GLY 11 HA1 GLY 11 24.503 0.922 2.075 80 H CYS 12 HN CYS 12 23.523 -1.970 0.923 81 HA CYS 12 HA CYS 12 24.701 -1.712 -1.627 82 HB2 CYS 12 HB2 CYS 12 24.386 -3.914 -0.736 83 HB3 CYS 12 HB1 CYS 12 22.651 -3.667 -0.557 84 HG CYS 12 HG CYS 12 23.209 -5.037 -2.790 85 H TYR 13 HN TYR 13 21.363 -2.754 -1.698 86 HA TYR 13 HA TYR 13 20.821 -0.944 -3.930 87 HB2 TYR 13 HB2 TYR 13 19.928 -3.401 -3.453 88 HB3 TYR 13 HB1 TYR 13 18.671 -2.555 -2.557 89 HD1 TYR 13 HD2 TYR 13 20.251 -2.973 -5.883 90 HD2 TYR 13 HD1 TYR 13 16.967 -1.279 -3.693 91 HE1 TYR 13 HE2 TYR 13 19.085 -2.478 -8.015 92 HE2 TYR 13 HE1 TYR 13 15.801 -0.784 -5.826 93 HH TYR 13 HH TYR 13 17.293 -1.599 -8.966 94 H ALA 14 HN ALA 14 21.441 0.627 -1.786 95 HA ALA 14 HA ALA 14 19.547 1.437 0.060 96 HB1 ALA 14 HB1 ALA 14 20.541 3.626 0.002 97 HB2 ALA 14 HB2 ALA 14 21.095 3.392 -1.656 98 HB3 ALA 14 HB3 ALA 14 21.826 2.469 -0.344 99 H ASP 15 HN ASP 15 17.389 1.591 -0.350 100 HA ASP 15 HA ASP 15 16.506 3.454 -2.510 101 HB2 ASP 15 HB2 ASP 15 16.363 0.920 -3.093 102 HB3 ASP 15 HB1 ASP 15 15.025 0.883 -1.949 103 H GLY 16 HN GLY 16 16.460 2.648 0.716 104 HA2 GLY 16 HA2 GLY 16 15.092 3.291 2.513 105 HA3 GLY 16 HA1 GLY 16 14.594 4.617 1.471 106 H THR 17 HN THR 17 14.095 1.110 1.583 107 HA THR 17 HA THR 17 11.400 1.395 0.482 108 HB THR 17 HB THR 17 11.298 -1.076 0.770 109 HG1 THR 17 HG1 THR 17 13.956 -0.882 1.693 110 HG21 THR 17 HG21 THR 17 14.019 -0.528 -0.353 111 HG22 THR 17 HG22 THR 17 12.628 0.230 -1.126 112 HG23 THR 17 HG23 THR 17 12.722 -1.526 -1.007 113 H TRP 18 HN TRP 18 9.632 -0.002 1.707 114 HA TRP 18 HA TRP 18 9.788 0.015 4.615 115 HB2 TRP 18 HB2 TRP 18 7.812 1.771 4.711 116 HB3 TRP 18 HB1 TRP 18 9.477 2.329 4.643 117 HD1 TRP 18 HD1 TRP 18 10.022 3.980 2.815 118 HE1 TRP 18 HE1 TRP 18 8.914 4.754 0.611 119 HE3 TRP 18 HE3 TRP 18 6.085 0.709 2.555 120 HZ2 TRP 18 HZ2 TRP 18 6.676 4.120 -0.985 121 HZ3 TRP 18 HZ3 TRP 18 4.520 0.816 0.654 122 HH2 TRP 18 HH2 TRP 18 4.819 2.504 -1.103 123 H GLU 19 HN GLU 19 7.034 0.221 5.204 124 HA GLU 19 HA GLU 19 5.750 -1.779 3.423 125 HB2 GLU 19 HB2 GLU 19 4.778 -2.886 5.364 126 HB3 GLU 19 HB1 GLU 19 6.530 -2.910 5.499 127 HG2 GLU 19 HG2 GLU 19 4.688 -0.938 6.878 128 HG3 GLU 19 HG1 GLU 19 5.477 -2.309 7.650 129 H LEU 20 HN LEU 20 3.387 -1.868 4.333 130 HA LEU 20 HA LEU 20 2.305 0.844 4.847 131 HB2 LEU 20 HB2 LEU 20 2.313 -0.484 2.294 132 HB3 LEU 20 HB1 LEU 20 0.645 -0.428 2.864 133 HG LEU 20 HG LEU 20 1.230 1.549 1.500 134 HD11 LEU 20 HD11 LEU 20 0.126 3.108 2.842 135 HD12 LEU 20 HD12 LEU 20 0.900 2.556 4.321 136 HD13 LEU 20 HD13 LEU 20 -0.364 1.580 3.573 137 HD21 LEU 20 HD21 LEU 20 3.666 1.475 2.638 138 HD22 LEU 20 HD22 LEU 20 2.943 2.715 3.648 139 HD23 LEU 20 HD23 LEU 20 3.012 2.923 1.899 140 H SER 21 HN SER 21 0.118 0.778 5.652 141 HA SER 21 HA SER 21 -0.785 -1.891 6.618 142 HB2 SER 21 HB2 SER 21 -1.835 -0.403 8.506 143 HB3 SER 21 HB1 SER 21 -0.131 -0.827 8.579 144 HG SER 21 HG SER 21 -0.668 1.412 7.092 145 H VAL 22 HN VAL 22 -2.755 -2.446 6.128 146 HA VAL 22 HA VAL 22 -4.605 -0.408 4.973 147 HB VAL 22 HB VAL 22 -3.892 -3.170 4.083 148 HG11 VAL 22 HG11 VAL 22 -6.212 -3.607 4.704 149 HG12 VAL 22 HG12 VAL 22 -6.122 -3.431 2.953 150 HG13 VAL 22 HG13 VAL 22 -6.730 -2.106 3.936 151 HG21 VAL 22 HG21 VAL 22 -4.937 -0.672 2.714 152 HG22 VAL 22 HG22 VAL 22 -4.440 -2.143 1.884 153 HG23 VAL 22 HG23 VAL 22 -3.254 -1.200 2.789 154 H HIS 23 HN HIS 23 -6.774 -0.779 5.332 155 HA HIS 23 HA HIS 23 -7.566 -2.256 7.788 156 HB2 HIS 23 HB2 HIS 23 -7.098 0.518 7.666 157 HB3 HIS 23 HB1 HIS 23 -8.843 0.396 7.591 158 HD1 HIS 23 HD1 HIS 23 -9.898 -1.240 9.567 159 HD2 HIS 23 HD2 HIS 23 -6.090 0.318 10.236 160 HE1 HIS 23 HE1 HIS 23 -9.470 -1.438 12.056 161 H VAL 24 HN VAL 24 -9.424 -3.382 7.371 162 HA VAL 24 HA VAL 24 -11.030 -2.629 5.024 163 HB VAL 24 HB VAL 24 -11.695 -5.003 6.704 164 HG11 VAL 24 HG11 VAL 24 -12.276 -5.973 4.551 165 HG12 VAL 24 HG12 VAL 24 -11.523 -4.633 3.699 166 HG13 VAL 24 HG13 VAL 24 -12.984 -4.361 4.639 167 HG21 VAL 24 HG21 VAL 24 -9.361 -5.340 6.628 168 HG22 VAL 24 HG22 VAL 24 -9.217 -4.647 5.014 169 HG23 VAL 24 HG23 VAL 24 -9.941 -6.242 5.232 170 H THR 25 HN THR 25 -12.570 -1.194 5.283 171 HA THR 25 HA THR 25 -13.693 -0.663 7.926 172 HB THR 25 HB THR 25 -15.078 1.016 6.582 173 HG1 THR 25 HG1 THR 25 -13.466 1.035 4.485 174 HG21 THR 25 HG21 THR 25 -13.169 2.506 6.286 175 HG22 THR 25 HG22 THR 25 -12.065 1.131 6.290 176 HG23 THR 25 HG23 THR 25 -12.950 1.557 7.755 177 H ASP 26 HN ASP 26 -15.380 -1.314 4.822 178 HA ASP 26 HA ASP 26 -17.854 -1.956 6.081 179 HB2 ASP 26 HB2 ASP 26 -17.376 -1.385 3.604 180 HB3 ASP 26 HB1 ASP 26 -17.011 -3.100 3.419 181 H VAL 27 HN VAL 27 -15.254 -3.573 6.834 182 HA VAL 27 HA VAL 27 -16.690 -6.179 7.025 183 HB VAL 27 HB VAL 27 -13.772 -6.002 6.278 184 HG11 VAL 27 HG11 VAL 27 -14.785 -8.054 7.444 185 HG12 VAL 27 HG12 VAL 27 -13.957 -8.356 5.915 186 HG13 VAL 27 HG13 VAL 27 -15.718 -8.297 5.968 187 HG21 VAL 27 HG21 VAL 27 -14.462 -6.604 3.989 188 HG22 VAL 27 HG22 VAL 27 -15.168 -5.059 4.451 189 HG23 VAL 27 HG23 VAL 27 -16.155 -6.518 4.471 190 H ASN 28 HN ASN 28 -14.415 -3.870 8.281 191 HA ASN 28 HA ASN 28 -13.775 -3.476 10.470 192 HB2 ASN 28 HB2 ASN 28 -16.059 -4.732 10.749 193 HB3 ASN 28 HB1 ASN 28 -15.040 -6.012 11.388 194 HD21 ASN 28 HD21 ASN 28 -15.187 -5.868 13.646 195 HD22 ASN 28 HD22 ASN 28 -15.020 -4.432 14.536 196 H ARG 29 HN ARG 29 -12.409 -5.501 8.577 197 HA ARG 29 HA ARG 29 -10.671 -6.813 10.665 198 HB2 ARG 29 HB2 ARG 29 -10.195 -7.638 7.855 199 HB3 ARG 29 HB1 ARG 29 -10.391 -8.626 9.304 200 HG2 ARG 29 HG2 ARG 29 -12.894 -8.014 9.163 201 HG3 ARG 29 HG1 ARG 29 -12.520 -7.464 7.532 202 HD2 ARG 29 HD2 ARG 29 -11.848 -10.241 8.540 203 HD3 ARG 29 HD1 ARG 29 -13.327 -9.856 7.671 204 HE ARG 29 HE ARG 29 -11.360 -8.882 6.004 205 HH11 ARG 29 HH21 ARG 29 -11.954 -11.864 7.635 206 HH12 ARG 29 HH22 ARG 29 -11.199 -12.833 6.415 207 HH21 ARG 29 HH11 ARG 29 -10.371 -10.134 4.403 208 HH22 ARG 29 HH12 ARG 29 -10.303 -11.855 4.587 209 H ASP 30 HN ASP 30 -8.294 -7.019 9.467 210 HA ASP 30 HA ASP 30 -7.676 -4.558 7.991 211 HB2 ASP 30 HB2 ASP 30 -5.710 -4.439 9.998 212 HB3 ASP 30 HB1 ASP 30 -7.084 -3.349 9.822 213 H VAL 31 HN VAL 31 -5.800 -4.697 6.860 214 HA VAL 31 HA VAL 31 -4.096 -7.104 7.159 215 HB VAL 31 HB VAL 31 -5.201 -6.252 4.469 216 HG11 VAL 31 HG11 VAL 31 -3.156 -7.705 4.640 217 HG12 VAL 31 HG12 VAL 31 -4.504 -8.482 3.811 218 HG13 VAL 31 HG13 VAL 31 -4.138 -8.902 5.482 219 HG21 VAL 31 HG21 VAL 31 -6.777 -8.237 4.778 220 HG22 VAL 31 HG22 VAL 31 -7.170 -6.802 5.722 221 HG23 VAL 31 HG23 VAL 31 -6.375 -8.175 6.492 222 H THR 32 HN THR 32 -1.990 -6.656 5.920 223 HA THR 32 HA THR 32 -1.617 -3.729 5.415 224 HB THR 32 HB THR 32 0.520 -3.851 6.572 225 HG1 THR 32 HG1 THR 32 0.114 -6.250 7.757 226 HG21 THR 32 HG21 THR 32 -0.324 -3.759 8.736 227 HG22 THR 32 HG22 THR 32 -1.378 -5.149 8.486 228 HG23 THR 32 HG23 THR 32 -1.805 -3.584 7.795 229 H LEU 33 HN LEU 33 -0.086 -3.172 3.888 230 HA LEU 33 HA LEU 33 0.624 -5.364 2.003 231 HB2 LEU 33 HB2 LEU 33 0.231 -2.400 1.691 232 HB3 LEU 33 HB1 LEU 33 1.239 -3.256 0.539 233 HG LEU 33 HG LEU 33 -1.061 -3.053 -0.258 234 HD11 LEU 33 HD11 LEU 33 0.479 -5.213 -0.524 235 HD12 LEU 33 HD12 LEU 33 -1.159 -5.154 -1.165 236 HD13 LEU 33 HD13 LEU 33 -0.849 -5.967 0.360 237 HD21 LEU 33 HD21 LEU 33 -2.906 -3.579 0.943 238 HD22 LEU 33 HD22 LEU 33 -1.852 -3.377 2.333 239 HD23 LEU 33 HD23 LEU 33 -2.163 -4.987 1.690 240 H ARG 34 HN ARG 34 2.659 -5.700 1.437 241 HA ARG 34 HA ARG 34 4.807 -4.174 2.896 242 HB2 ARG 34 HB2 ARG 34 4.506 -6.800 3.126 243 HB3 ARG 34 HB1 ARG 34 5.246 -6.826 1.533 244 HG2 ARG 34 HG2 ARG 34 7.128 -6.989 2.902 245 HG3 ARG 34 HG1 ARG 34 7.044 -5.250 2.631 246 HD2 ARG 34 HD2 ARG 34 7.331 -5.414 4.956 247 HD3 ARG 34 HD1 ARG 34 5.593 -5.212 4.795 248 HE ARG 34 HE ARG 34 6.989 -7.760 5.452 249 HH11 ARG 34 HH21 ARG 34 4.054 -5.959 4.979 250 HH12 ARG 34 HH22 ARG 34 3.068 -7.142 5.763 251 HH21 ARG 34 HH11 ARG 34 5.692 -9.285 6.461 252 HH22 ARG 34 HH12 ARG 34 3.987 -9.014 6.595 253 H VAL 35 HN VAL 35 5.020 -2.499 1.343 254 HA VAL 35 HA VAL 35 6.197 -3.341 -1.250 255 HB VAL 35 HB VAL 35 4.630 -1.872 -2.490 256 HG11 VAL 35 HG11 VAL 35 2.841 -3.442 -2.578 257 HG12 VAL 35 HG12 VAL 35 3.088 -3.928 -0.902 258 HG13 VAL 35 HG13 VAL 35 4.272 -4.369 -2.136 259 HG21 VAL 35 HG21 VAL 35 3.589 -0.310 -1.156 260 HG22 VAL 35 HG22 VAL 35 3.663 -1.329 0.279 261 HG23 VAL 35 HG23 VAL 35 2.390 -1.577 -0.910 262 H THR 36 HN THR 36 6.263 -1.046 -2.598 263 HA THR 36 HA THR 36 7.512 1.004 -0.822 264 HB THR 36 HB THR 36 9.286 1.264 -2.587 265 HG1 THR 36 HG1 THR 36 9.525 -0.371 -4.046 266 HG21 THR 36 HG21 THR 36 10.592 -0.674 -1.764 267 HG22 THR 36 HG22 THR 36 9.113 -1.388 -1.128 268 HG23 THR 36 HG23 THR 36 9.717 0.126 -0.461 269 H GLY 37 HN GLY 37 8.085 2.955 -2.384 270 HA2 GLY 37 HA2 GLY 37 5.659 4.020 -3.395 271 HA3 GLY 37 HA1 GLY 37 7.250 4.695 -3.673 272 H GLU 38 HN GLU 38 6.873 1.458 -4.640 273 HA GLU 38 HA GLU 38 6.766 2.356 -7.486 274 HB2 GLU 38 HB2 GLU 38 8.087 0.426 -7.997 275 HB3 GLU 38 HB1 GLU 38 8.781 1.123 -6.535 276 HG2 GLU 38 HG2 GLU 38 8.650 -1.116 -5.905 277 HG3 GLU 38 HG1 GLU 38 7.112 -0.500 -5.293 278 H VAL 39 HN VAL 39 5.016 0.526 -5.121 279 HA VAL 39 HA VAL 39 3.714 -1.210 -7.053 280 HB VAL 39 HB VAL 39 3.870 -1.917 -4.742 281 HG11 VAL 39 HG11 VAL 39 2.299 0.598 -4.183 282 HG12 VAL 39 HG12 VAL 39 3.807 0.061 -3.471 283 HG13 VAL 39 HG13 VAL 39 2.310 -0.758 -3.070 284 HG21 VAL 39 HG21 VAL 39 1.954 -2.668 -6.131 285 HG22 VAL 39 HG22 VAL 39 0.987 -1.344 -5.483 286 HG23 VAL 39 HG23 VAL 39 1.568 -2.620 -4.413 287 H HIS 40 HN HIS 40 2.039 -0.764 -8.310 288 HA HIS 40 HA HIS 40 0.995 1.907 -8.524 289 HB2 HIS 40 HB2 HIS 40 0.261 -0.764 -9.722 290 HB3 HIS 40 HB1 HIS 40 -0.730 0.657 -10.022 291 HD1 HIS 40 HD1 HIS 40 1.645 -1.087 -11.774 292 HD2 HIS 40 HD2 HIS 40 1.494 2.921 -10.639 293 HE1 HIS 40 HE1 HIS 40 3.198 0.159 -13.338 294 H ILE 41 HN ILE 41 -1.137 2.657 -7.938 295 HA ILE 41 HA ILE 41 -2.201 1.671 -5.503 296 HB ILE 41 HB ILE 41 -3.841 2.990 -7.675 297 HG12 ILE 41 HG12 ILE 41 -2.056 4.280 -5.587 298 HG13 ILE 41 HG11 ILE 41 -1.722 4.233 -7.314 299 HG21 ILE 41 HG21 ILE 41 -5.216 3.719 -5.874 300 HG22 ILE 41 HG22 ILE 41 -4.007 3.275 -4.668 301 HG23 ILE 41 HG23 ILE 41 -4.889 2.021 -5.538 302 HD11 ILE 41 HD11 ILE 41 -3.097 5.971 -7.718 303 HD12 ILE 41 HD12 ILE 41 -3.135 6.226 -5.980 304 HD13 ILE 41 HD13 ILE 41 -4.404 5.288 -6.760 305 H GLY 42 HN GLY 42 -3.248 1.209 -8.852 306 HA2 GLY 42 HA2 GLY 42 -5.210 -0.802 -8.304 307 HA3 GLY 42 HA1 GLY 42 -4.414 -0.546 -9.865 308 H GLY 43 HN GLY 43 -1.943 -0.805 -7.747 309 HA2 GLY 43 HA2 GLY 43 -1.634 -3.747 -8.227 310 HA3 GLY 43 HA1 GLY 43 -0.294 -2.607 -8.044 311 H VAL 44 HN VAL 44 -1.651 -1.151 -5.896 312 HA VAL 44 HA VAL 44 -0.625 -2.549 -3.632 313 HB VAL 44 HB VAL 44 -2.378 -0.195 -4.180 314 HG11 VAL 44 HG11 VAL 44 -2.322 -1.611 -1.522 315 HG12 VAL 44 HG12 VAL 44 -3.724 -1.088 -2.447 316 HG13 VAL 44 HG13 VAL 44 -2.695 0.105 -1.654 317 HG21 VAL 44 HG21 VAL 44 0.010 0.153 -4.000 318 HG22 VAL 44 HG22 VAL 44 0.057 -0.664 -2.438 319 HG23 VAL 44 HG23 VAL 44 -0.758 0.891 -2.597 320 H MET 45 HN MET 45 -3.810 -2.354 -5.134 321 HA MET 45 HA MET 45 -5.182 -3.974 -3.200 322 HB2 MET 45 HB2 MET 45 -6.362 -4.287 -5.828 323 HB3 MET 45 HB1 MET 45 -6.958 -3.360 -4.463 324 HG2 MET 45 HG2 MET 45 -5.570 -1.445 -5.128 325 HG3 MET 45 HG1 MET 45 -4.959 -2.367 -6.500 326 HE1 MET 45 HE1 MET 45 -6.491 0.437 -6.173 327 HE2 MET 45 HE2 MET 45 -7.857 -0.093 -5.195 328 HE3 MET 45 HE3 MET 45 -8.130 0.490 -6.835 329 H LEU 46 HN LEU 46 -3.638 -4.763 -6.314 330 HA LEU 46 HA LEU 46 -4.227 -7.554 -6.193 331 HB2 LEU 46 HB2 LEU 46 -1.766 -6.304 -7.436 332 HB3 LEU 46 HB1 LEU 46 -2.519 -7.835 -7.878 333 HG LEU 46 HG LEU 46 -3.876 -5.141 -8.099 334 HD11 LEU 46 HD11 LEU 46 -1.865 -5.580 -9.648 335 HD12 LEU 46 HD12 LEU 46 -3.388 -5.152 -10.425 336 HD13 LEU 46 HD13 LEU 46 -2.861 -6.834 -10.386 337 HD21 LEU 46 HD21 LEU 46 -5.366 -6.596 -9.666 338 HD22 LEU 46 HD22 LEU 46 -5.575 -6.769 -7.926 339 HD23 LEU 46 HD23 LEU 46 -4.648 -7.970 -8.825 340 H LYS 47 HN LYS 47 -1.200 -5.852 -5.369 341 HA LYS 47 HA LYS 47 0.141 -8.024 -4.255 342 HB2 LYS 47 HB2 LYS 47 0.960 -5.610 -4.519 343 HB3 LYS 47 HB1 LYS 47 0.144 -5.268 -3.008 344 HG2 LYS 47 HG2 LYS 47 2.270 -5.816 -2.226 345 HG3 LYS 47 HG1 LYS 47 1.452 -7.375 -2.135 346 HD2 LYS 47 HD2 LYS 47 3.422 -7.963 -3.264 347 HD3 LYS 47 HD1 LYS 47 2.339 -7.657 -4.619 348 HE2 LYS 47 HE2 LYS 47 4.011 -6.273 -5.349 349 HE3 LYS 47 HE1 LYS 47 3.367 -5.133 -4.168 350 HZ1 LYS 47 HZ1 LYS 47 5.824 -6.609 -4.141 351 HZ2 LYS 47 HZ2 LYS 47 4.957 -6.762 -2.688 352 HZ3 LYS 47 HZ3 LYS 47 5.385 -5.223 -3.267 353 H LEU 48 HN LEU 48 -2.561 -6.222 -3.041 354 HA LEU 48 HA LEU 48 -2.476 -7.493 -0.394 355 HB2 LEU 48 HB2 LEU 48 -3.311 -5.286 -0.385 356 HB3 LEU 48 HB1 LEU 48 -4.344 -5.565 -1.755 357 HG LEU 48 HG LEU 48 -5.823 -6.947 -0.452 358 HD11 LEU 48 HD11 LEU 48 -3.606 -6.764 1.588 359 HD12 LEU 48 HD12 LEU 48 -4.420 -8.194 0.983 360 HD13 LEU 48 HD13 LEU 48 -5.255 -7.114 2.087 361 HD21 LEU 48 HD21 LEU 48 -6.000 -4.452 -0.254 362 HD22 LEU 48 HD22 LEU 48 -5.020 -4.541 1.210 363 HD23 LEU 48 HD23 LEU 48 -6.605 -5.312 1.164 364 H VAL 49 HN VAL 49 -4.766 -7.499 -3.174 365 HA VAL 49 HA VAL 49 -6.379 -9.635 -2.214 366 HB VAL 49 HB VAL 49 -5.632 -9.015 -5.090 367 HG11 VAL 49 HG11 VAL 49 -7.861 -10.639 -3.848 368 HG12 VAL 49 HG12 VAL 49 -6.628 -11.195 -4.979 369 HG13 VAL 49 HG13 VAL 49 -7.889 -10.089 -5.523 370 HG21 VAL 49 HG21 VAL 49 -6.749 -7.193 -3.511 371 HG22 VAL 49 HG22 VAL 49 -8.201 -8.163 -3.763 372 HG23 VAL 49 HG23 VAL 49 -7.369 -7.449 -5.145 373 H GLU 50 HN GLU 50 -3.366 -9.584 -4.049 374 HA GLU 50 HA GLU 50 -3.112 -12.389 -4.451 375 HB2 GLU 50 HB2 GLU 50 -1.047 -10.202 -4.109 376 HB3 GLU 50 HB1 GLU 50 -0.633 -11.866 -4.534 377 HG2 GLU 50 HG2 GLU 50 -1.995 -11.748 -6.531 378 HG3 GLU 50 HG1 GLU 50 -2.585 -10.158 -6.091 379 H LYS 51 HN LYS 51 -2.057 -10.260 -1.755 380 HA LYS 51 HA LYS 51 -0.810 -12.290 -0.204 381 HB2 LYS 51 HB2 LYS 51 -2.004 -9.612 0.310 382 HB3 LYS 51 HB1 LYS 51 -1.841 -10.648 1.712 383 HG2 LYS 51 HG2 LYS 51 0.563 -10.964 1.194 384 HG3 LYS 51 HG1 LYS 51 0.387 -9.917 -0.210 385 HD2 LYS 51 HD2 LYS 51 1.318 -8.669 1.700 386 HD3 LYS 51 HD1 LYS 51 -0.264 -8.043 1.244 387 HE2 LYS 51 HE2 LYS 51 0.292 -8.518 3.788 388 HE3 LYS 51 HE1 LYS 51 -1.305 -8.900 3.147 389 HZ1 LYS 51 HZ1 LYS 51 -0.432 -11.179 2.702 390 HZ2 LYS 51 HZ2 LYS 51 -0.549 -10.777 4.348 391 HZ3 LYS 51 HZ3 LYS 51 0.963 -10.763 3.573 392 H LEU 52 HN LEU 52 -4.177 -11.038 0.070 393 HA LEU 52 HA LEU 52 -4.992 -13.214 1.797 394 HB2 LEU 52 HB2 LEU 52 -6.697 -11.397 0.067 395 HB3 LEU 52 HB1 LEU 52 -7.274 -12.383 1.408 396 HG LEU 52 HG LEU 52 -5.120 -10.284 1.738 397 HD11 LEU 52 HD11 LEU 52 -7.200 -9.247 0.863 398 HD12 LEU 52 HD12 LEU 52 -6.867 -8.759 2.521 399 HD13 LEU 52 HD13 LEU 52 -8.102 -9.973 2.193 400 HD21 LEU 52 HD21 LEU 52 -5.138 -11.767 3.600 401 HD22 LEU 52 HD22 LEU 52 -6.898 -11.858 3.618 402 HD23 LEU 52 HD23 LEU 52 -6.086 -10.380 4.127 403 H ASP 53 HN ASP 53 -7.081 -12.798 -0.924 404 HA ASP 53 HA ASP 53 -6.050 -15.083 -2.429 405 HB2 ASP 53 HB2 ASP 53 -8.026 -16.512 -2.058 406 HB3 ASP 53 HB1 ASP 53 -7.182 -16.214 -0.538 407 H VAL 54 HN VAL 54 -7.698 -15.624 -4.247 408 HA VAL 54 HA VAL 54 -8.464 -13.144 -5.523 409 HB VAL 54 HB VAL 54 -9.451 -15.876 -6.365 410 HG11 VAL 54 HG11 VAL 54 -9.468 -14.946 -8.543 411 HG12 VAL 54 HG12 VAL 54 -8.410 -13.613 -8.078 412 HG13 VAL 54 HG13 VAL 54 -10.083 -13.646 -7.522 413 HG21 VAL 54 HG21 VAL 54 -7.139 -16.286 -5.944 414 HG22 VAL 54 HG22 VAL 54 -6.668 -14.711 -6.580 415 HG23 VAL 54 HG23 VAL 54 -7.248 -15.966 -7.675 416 H LYS 55 HN LYS 55 -10.995 -14.890 -6.431 417 HA LYS 55 HA LYS 55 -13.273 -14.911 -5.905 418 HB2 LYS 55 HB2 LYS 55 -12.154 -15.783 -3.656 419 HB3 LYS 55 HB1 LYS 55 -12.682 -14.223 -3.033 420 HG2 LYS 55 HG2 LYS 55 -14.467 -16.270 -4.389 421 HG3 LYS 55 HG1 LYS 55 -14.391 -15.969 -2.653 422 HD2 LYS 55 HD2 LYS 55 -14.936 -13.501 -3.274 423 HD3 LYS 55 HD1 LYS 55 -15.436 -14.161 -4.832 424 HE2 LYS 55 HE2 LYS 55 -17.351 -13.995 -3.279 425 HE3 LYS 55 HE1 LYS 55 -17.013 -15.676 -3.696 426 HZ1 LYS 55 HZ1 LYS 55 -17.378 -15.138 -1.260 427 HZ2 LYS 55 HZ2 LYS 55 -15.848 -14.400 -1.297 428 HZ3 LYS 55 HZ3 LYS 55 -16.004 -16.056 -1.643 429 H LYS 56 HN LYS 56 -11.645 -12.371 -3.950 430 HA LYS 56 HA LYS 56 -13.874 -10.541 -4.364 431 HB2 LYS 56 HB2 LYS 56 -11.861 -10.729 -2.481 432 HB3 LYS 56 HB1 LYS 56 -11.279 -9.391 -3.461 433 HG2 LYS 56 HG2 LYS 56 -12.627 -8.284 -1.895 434 HG3 LYS 56 HG1 LYS 56 -13.741 -8.495 -3.245 435 HD2 LYS 56 HD2 LYS 56 -15.056 -9.305 -1.499 436 HD3 LYS 56 HD1 LYS 56 -14.283 -10.801 -2.032 437 HE2 LYS 56 HE2 LYS 56 -13.948 -10.854 0.291 438 HE3 LYS 56 HE1 LYS 56 -12.431 -10.166 -0.290 439 HZ1 LYS 56 HZ1 LYS 56 -12.836 -8.318 0.835 440 HZ2 LYS 56 HZ2 LYS 56 -14.222 -9.039 1.501 441 HZ3 LYS 56 HZ3 LYS 56 -14.340 -8.119 0.078 442 H ASP 57 HN ASP 57 -13.724 -8.527 -5.509 443 HA ASP 57 HA ASP 57 -12.139 -8.750 -8.000 444 HB2 ASP 57 HB2 ASP 57 -14.052 -6.520 -7.371 445 HB3 ASP 57 HB1 ASP 57 -13.674 -7.248 -8.933 446 H TRP 58 HN TRP 58 -10.810 -6.956 -8.724 447 HA TRP 58 HA TRP 58 -9.478 -5.551 -6.529 448 HB2 TRP 58 HB2 TRP 58 -8.078 -4.823 -8.652 449 HB3 TRP 58 HB1 TRP 58 -7.891 -6.417 -7.985 450 HD1 TRP 58 HD1 TRP 58 -9.546 -8.352 -9.200 451 HE1 TRP 58 HE1 TRP 58 -10.047 -8.615 -11.715 452 HE3 TRP 58 HE3 TRP 58 -8.262 -3.693 -10.848 453 HZ2 TRP 58 HZ2 TRP 58 -9.910 -7.059 -14.111 454 HZ3 TRP 58 HZ3 TRP 58 -8.450 -3.113 -13.249 455 HH2 TRP 58 HH2 TRP 58 -9.272 -4.788 -14.882 456 H SER 59 HN SER 59 -9.796 -4.350 -9.743 457 HA SER 59 HA SER 59 -10.074 -1.666 -9.256 458 HB2 SER 59 HB2 SER 59 -11.623 -1.686 -11.393 459 HB3 SER 59 HB1 SER 59 -9.942 -2.191 -11.522 460 HG SER 59 HG SER 59 -12.197 -3.607 -11.929 461 H ASP 60 HN ASP 60 -12.628 -4.040 -8.677 462 HA ASP 60 HA ASP 60 -14.727 -2.042 -8.553 463 HB2 ASP 60 HB2 ASP 60 -14.795 -4.747 -8.705 464 HB3 ASP 60 HB1 ASP 60 -15.030 -4.555 -6.970 465 H HIS 61 HN HIS 61 -13.032 -3.879 -5.936 466 HA HIS 61 HA HIS 61 -14.162 -2.132 -3.933 467 HB2 HIS 61 HB2 HIS 61 -12.936 -3.338 -2.340 468 HB3 HIS 61 HB1 HIS 61 -13.285 -4.529 -3.584 469 HD1 HIS 61 HD1 HIS 61 -11.323 -5.803 -4.403 470 HD2 HIS 61 HD2 HIS 61 -10.167 -2.193 -2.675 471 HE1 HIS 61 HE1 HIS 61 -8.796 -5.815 -4.322 472 H ALA 62 HN ALA 62 -12.379 -1.080 -2.340 473 HA ALA 62 HA ALA 62 -10.265 0.297 -3.898 474 HB1 ALA 62 HB1 ALA 62 -12.292 1.609 -4.384 475 HB2 ALA 62 HB2 ALA 62 -11.192 2.527 -3.353 476 HB3 ALA 62 HB3 ALA 62 -12.615 1.748 -2.653 477 H LEU 63 HN LEU 63 -9.106 1.903 -2.440 478 HA LEU 63 HA LEU 63 -9.034 0.873 0.340 479 HB2 LEU 63 HB2 LEU 63 -6.957 2.490 -1.124 480 HB3 LEU 63 HB1 LEU 63 -6.766 1.714 0.437 481 HG LEU 63 HG LEU 63 -5.671 0.317 -1.124 482 HD11 LEU 63 HD11 LEU 63 -8.363 -1.007 -0.830 483 HD12 LEU 63 HD12 LEU 63 -7.277 -0.748 0.541 484 HD13 LEU 63 HD13 LEU 63 -6.765 -1.756 -0.810 485 HD21 LEU 63 HD21 LEU 63 -7.161 1.352 -3.103 486 HD22 LEU 63 HD22 LEU 63 -8.064 -0.145 -2.866 487 HD23 LEU 63 HD23 LEU 63 -6.348 -0.210 -3.276 488 H TRP 64 HN TRP 64 -10.037 2.200 1.829 489 HA TRP 64 HA TRP 64 -10.444 5.027 1.057 490 HB2 TRP 64 HB2 TRP 64 -11.989 3.351 2.558 491 HB3 TRP 64 HB1 TRP 64 -11.088 4.125 3.843 492 HD1 TRP 64 HD1 TRP 64 -12.676 5.516 0.591 493 HE1 TRP 64 HE1 TRP 64 -14.078 7.586 1.220 494 HE3 TRP 64 HE3 TRP 64 -11.976 5.544 5.647 495 HZ2 TRP 64 HZ2 TRP 64 -14.809 9.056 3.563 496 HZ3 TRP 64 HZ3 TRP 64 -13.037 7.286 7.053 497 HH2 TRP 64 HH2 TRP 64 -14.451 9.041 6.018 498 H TRP 65 HN TRP 65 -9.068 6.651 1.664 499 HA TRP 65 HA TRP 65 -6.778 5.918 3.417 500 HB2 TRP 65 HB2 TRP 65 -6.464 7.062 1.166 501 HB3 TRP 65 HB1 TRP 65 -7.210 8.487 1.876 502 HD1 TRP 65 HD1 TRP 65 -5.335 7.078 4.635 503 HE1 TRP 65 HE1 TRP 65 -3.012 8.147 4.858 504 HE3 TRP 65 HE3 TRP 65 -4.973 9.401 0.088 505 HZ2 TRP 65 HZ2 TRP 65 -1.234 9.780 3.339 506 HZ3 TRP 65 HZ3 TRP 65 -2.951 10.717 -0.483 507 HH2 TRP 65 HH2 TRP 65 -1.086 10.913 1.137 508 H GLU 66 HN GLU 66 -7.225 6.270 5.558 509 HA GLU 66 HA GLU 66 -9.238 7.957 6.589 510 HB2 GLU 66 HB2 GLU 66 -7.926 7.839 8.744 511 HB3 GLU 66 HB1 GLU 66 -8.265 6.275 8.006 512 HG2 GLU 66 HG2 GLU 66 -6.048 6.082 7.156 513 HG3 GLU 66 HG1 GLU 66 -5.691 7.775 7.494 514 H LYS 67 HN LYS 67 -6.059 8.803 5.403 515 HA LYS 67 HA LYS 67 -5.790 11.268 6.870 516 HB2 LYS 67 HB2 LYS 67 -3.987 10.015 5.619 517 HB3 LYS 67 HB1 LYS 67 -4.695 10.675 4.141 518 HG2 LYS 67 HG2 LYS 67 -4.483 12.971 5.208 519 HG3 LYS 67 HG1 LYS 67 -3.507 12.202 6.462 520 HD2 LYS 67 HD2 LYS 67 -1.871 11.483 4.849 521 HD3 LYS 67 HD1 LYS 67 -2.906 11.991 3.518 522 HE2 LYS 67 HE2 LYS 67 -2.610 14.293 4.013 523 HE3 LYS 67 HE1 LYS 67 -1.947 13.939 5.609 524 HZ1 LYS 67 HZ1 LYS 67 0.050 13.239 4.721 525 HZ2 LYS 67 HZ2 LYS 67 -0.351 14.540 3.704 526 HZ3 LYS 67 HZ3 LYS 67 -0.603 12.943 3.184 527 H LYS 68 HN LYS 68 -6.794 10.676 3.482 528 HA LYS 68 HA LYS 68 -8.070 13.392 3.453 529 HB2 LYS 68 HB2 LYS 68 -7.252 11.559 1.174 530 HB3 LYS 68 HB1 LYS 68 -8.013 13.134 0.977 531 HG2 LYS 68 HG2 LYS 68 -5.397 12.720 2.451 532 HG3 LYS 68 HG1 LYS 68 -5.486 13.122 0.738 533 HD2 LYS 68 HD2 LYS 68 -6.985 15.122 1.539 534 HD3 LYS 68 HD1 LYS 68 -6.265 14.807 3.117 535 HE2 LYS 68 HE2 LYS 68 -4.855 16.432 2.103 536 HE3 LYS 68 HE1 LYS 68 -3.995 14.902 1.929 537 HZ1 LYS 68 HZ1 LYS 68 -5.663 16.235 -0.133 538 HZ2 LYS 68 HZ2 LYS 68 -4.956 14.700 -0.306 539 HZ3 LYS 68 HZ3 LYS 68 -3.975 16.078 -0.148 540 H ARG 69 HN ARG 69 -8.946 10.584 4.408 541 HA ARG 69 HA ARG 69 -10.761 9.114 4.140 542 HB2 ARG 69 HB2 ARG 69 -12.916 10.950 4.106 543 HB3 ARG 69 HB1 ARG 69 -12.190 10.220 5.522 544 HG2 ARG 69 HG2 ARG 69 -11.219 12.803 4.253 545 HG3 ARG 69 HG1 ARG 69 -12.330 12.717 5.605 546 HD2 ARG 69 HD2 ARG 69 -10.344 11.135 6.579 547 HD3 ARG 69 HD1 ARG 69 -9.402 12.227 5.569 548 HE ARG 69 HE ARG 69 -11.187 13.820 7.070 549 HH11 ARG 69 HH21 ARG 69 -8.543 11.648 7.484 550 HH12 ARG 69 HH22 ARG 69 -7.966 12.415 8.926 551 HH21 ARG 69 HH11 ARG 69 -10.444 14.839 8.946 552 HH22 ARG 69 HH12 ARG 69 -9.042 14.220 9.754 553 H THR 70 HN THR 70 -9.606 9.622 1.633 554 HA THR 70 HA THR 70 -11.985 9.777 -0.191 555 HB THR 70 HB THR 70 -10.157 11.521 -0.471 556 HG1 THR 70 HG1 THR 70 -11.426 11.103 -2.215 557 HG21 THR 70 HG21 THR 70 -8.323 9.803 0.045 558 HG22 THR 70 HG22 THR 70 -8.025 10.889 -1.311 559 HG23 THR 70 HG23 THR 70 -8.548 9.231 -1.608 560 H TRP 71 HN TRP 71 -10.664 8.660 -2.408 561 HA TRP 71 HA TRP 71 -10.064 5.869 -1.530 562 HB2 TRP 71 HB2 TRP 71 -11.474 6.380 -4.123 563 HB3 TRP 71 HB1 TRP 71 -11.585 5.006 -3.040 564 HD1 TRP 71 HD1 TRP 71 -13.634 4.912 -1.533 565 HE1 TRP 71 HE1 TRP 71 -15.462 6.581 -0.815 566 HE3 TRP 71 HE3 TRP 71 -11.827 9.181 -3.677 567 HZ2 TRP 71 HZ2 TRP 71 -16.077 9.360 -1.107 568 HZ3 TRP 71 HZ3 TRP 71 -13.050 11.323 -3.438 569 HH2 TRP 71 HH2 TRP 71 -15.172 11.417 -2.160 570 H LEU 72 HN LEU 72 -8.670 4.711 -2.952 571 HA LEU 72 HA LEU 72 -7.018 6.425 -4.779 572 HB2 LEU 72 HB2 LEU 72 -6.063 3.780 -3.702 573 HB3 LEU 72 HB1 LEU 72 -5.135 5.222 -4.119 574 HG LEU 72 HG LEU 72 -6.992 5.025 -1.740 575 HD11 LEU 72 HD11 LEU 72 -5.052 4.764 -0.388 576 HD12 LEU 72 HD12 LEU 72 -3.981 4.994 -1.768 577 HD13 LEU 72 HD13 LEU 72 -4.973 3.540 -1.653 578 HD21 LEU 72 HD21 LEU 72 -4.926 7.082 -2.583 579 HD22 LEU 72 HD22 LEU 72 -5.857 7.127 -1.087 580 HD23 LEU 72 HD23 LEU 72 -6.674 7.306 -2.639 581 H LEU 73 HN LEU 73 -8.013 6.060 -6.751 582 HA LEU 73 HA LEU 73 -8.825 3.299 -7.455 583 HB2 LEU 73 HB2 LEU 73 -9.337 5.731 -9.137 584 HB3 LEU 73 HB1 LEU 73 -10.302 4.269 -8.968 585 HG LEU 73 HG LEU 73 -9.940 6.435 -6.877 586 HD11 LEU 73 HD11 LEU 73 -11.433 7.083 -8.667 587 HD12 LEU 73 HD12 LEU 73 -12.384 6.727 -7.226 588 HD13 LEU 73 HD13 LEU 73 -12.306 5.556 -8.543 589 HD21 LEU 73 HD21 LEU 73 -11.935 4.905 -5.879 590 HD22 LEU 73 HD22 LEU 73 -10.248 4.611 -5.481 591 HD23 LEU 73 HD23 LEU 73 -11.037 3.645 -6.727 592 H LYS 74 HN LYS 74 -7.479 5.922 -9.487 593 HA LYS 74 HA LYS 74 -6.472 4.112 -11.372 594 HB2 LYS 74 HB2 LYS 74 -5.638 5.938 -12.548 595 HB3 LYS 74 HB1 LYS 74 -7.022 6.554 -11.665 596 HG2 LYS 74 HG2 LYS 74 -4.259 6.801 -10.471 597 HG3 LYS 74 HG1 LYS 74 -4.803 7.925 -11.689 598 HD2 LYS 74 HD2 LYS 74 -5.395 8.973 -9.691 599 HD3 LYS 74 HD1 LYS 74 -6.894 8.265 -10.221 600 HE2 LYS 74 HE2 LYS 74 -7.029 7.062 -8.299 601 HE3 LYS 74 HE1 LYS 74 -5.432 6.385 -8.559 602 HZ1 LYS 74 HZ1 LYS 74 -5.774 7.798 -6.507 603 HZ2 LYS 74 HZ2 LYS 74 -5.801 9.133 -7.558 604 HZ3 LYS 74 HZ3 LYS 74 -4.418 8.150 -7.463 605 H THR 75 HN THR 75 -4.418 3.511 -12.002 606 HA THR 75 HA THR 75 -2.565 3.009 -9.780 607 HB THR 75 HB THR 75 -2.643 1.161 -11.224 608 HG1 THR 75 HG1 THR 75 -0.566 2.895 -12.050 609 HG21 THR 75 HG21 THR 75 -2.524 1.525 -13.762 610 HG22 THR 75 HG22 THR 75 -2.848 3.225 -13.419 611 HG23 THR 75 HG23 THR 75 -4.024 1.991 -12.962 612 H HIS 76 HN HIS 76 -2.727 4.894 -12.744 613 HA HIS 76 HA HIS 76 -0.227 5.883 -13.182 614 HB2 HIS 76 HB2 HIS 76 -2.299 6.597 -14.371 615 HB3 HIS 76 HB1 HIS 76 -2.683 7.633 -12.995 616 HD1 HIS 76 HD1 HIS 76 0.865 7.221 -14.135 617 HD2 HIS 76 HD2 HIS 76 -2.198 10.028 -14.476 618 HE1 HIS 76 HE1 HIS 76 1.921 9.324 -15.070 619 H TRP 77 HN TRP 77 -2.049 6.440 -10.282 620 HA TRP 77 HA TRP 77 -0.028 8.474 -9.384 621 HB2 TRP 77 HB2 TRP 77 -2.940 8.078 -8.804 622 HB3 TRP 77 HB1 TRP 77 -1.924 8.861 -7.603 623 HD1 TRP 77 HD1 TRP 77 -2.916 9.247 -11.313 624 HE1 TRP 77 HE1 TRP 77 -2.736 11.739 -11.942 625 HE3 TRP 77 HE3 TRP 77 -1.016 11.114 -6.960 626 HZ2 TRP 77 HZ2 TRP 77 -1.894 14.203 -10.752 627 HZ3 TRP 77 HZ3 TRP 77 -0.533 13.535 -6.734 628 HH2 TRP 77 HH2 TRP 77 -0.969 15.080 -8.623 629 H THR 78 HN THR 78 1.282 6.493 -8.919 630 HA THR 78 HA THR 78 0.748 4.462 -7.125 631 HB THR 78 HB THR 78 3.359 5.901 -6.773 632 HG1 THR 78 HG1 THR 78 3.967 5.080 -8.871 633 HG21 THR 78 HG21 THR 78 4.269 3.713 -6.866 634 HG22 THR 78 HG22 THR 78 2.813 3.066 -7.615 635 HG23 THR 78 HG23 THR 78 2.786 3.577 -5.924 636 H LEU 79 HN LEU 79 1.641 4.428 -4.756 637 HA LEU 79 HA LEU 79 0.186 6.468 -3.311 638 HB2 LEU 79 HB2 LEU 79 1.079 5.337 -1.316 639 HB3 LEU 79 HB1 LEU 79 0.430 4.211 -2.477 640 HG LEU 79 HG LEU 79 3.016 4.304 -3.358 641 HD11 LEU 79 HD11 LEU 79 3.472 4.255 -0.402 642 HD12 LEU 79 HD12 LEU 79 3.333 5.823 -1.195 643 HD13 LEU 79 HD13 LEU 79 4.559 4.702 -1.695 644 HD21 LEU 79 HD21 LEU 79 3.213 2.121 -2.614 645 HD22 LEU 79 HD22 LEU 79 1.477 2.305 -2.487 646 HD23 LEU 79 HD23 LEU 79 2.482 2.454 -1.047 647 H ASP 80 HN ASP 80 3.608 5.828 -4.042 648 HA ASP 80 HA ASP 80 4.560 8.060 -2.502 649 HB2 ASP 80 HB2 ASP 80 6.285 6.678 -3.190 650 HB3 ASP 80 HB1 ASP 80 5.643 6.467 -4.805 651 H LYS 81 HN LYS 81 3.297 7.747 -5.822 652 HA LYS 81 HA LYS 81 3.827 10.336 -6.770 653 HB2 LYS 81 HB2 LYS 81 1.853 8.256 -7.351 654 HB3 LYS 81 HB1 LYS 81 1.147 9.844 -7.552 655 HG2 LYS 81 HG2 LYS 81 2.021 9.496 -9.667 656 HG3 LYS 81 HG1 LYS 81 3.350 10.344 -8.929 657 HD2 LYS 81 HD2 LYS 81 4.722 8.578 -9.371 658 HD3 LYS 81 HD1 LYS 81 3.732 7.555 -8.347 659 HE2 LYS 81 HE2 LYS 81 3.803 6.565 -10.550 660 HE3 LYS 81 HE1 LYS 81 2.182 7.210 -10.267 661 HZ1 LYS 81 HZ1 LYS 81 3.033 9.291 -11.400 662 HZ2 LYS 81 HZ2 LYS 81 2.767 7.939 -12.393 663 HZ3 LYS 81 HZ3 LYS 81 4.347 8.356 -11.925 664 H TYR 82 HN TYR 82 1.251 9.212 -4.641 665 HA TYR 82 HA TYR 82 0.052 11.832 -4.317 666 HB2 TYR 82 HB2 TYR 82 -0.336 9.126 -3.253 667 HB3 TYR 82 HB1 TYR 82 -0.495 10.321 -1.971 668 HD1 TYR 82 HD2 TYR 82 -1.943 12.452 -2.598 669 HD2 TYR 82 HD1 TYR 82 -2.215 8.650 -4.580 670 HE1 TYR 82 HE2 TYR 82 -4.217 13.032 -3.396 671 HE2 TYR 82 HE1 TYR 82 -4.490 9.231 -5.379 672 HH TYR 82 HH TYR 82 -5.716 12.335 -5.338 673 H GLY 83 HN GLY 83 2.710 10.088 -2.885 674 HA2 GLY 83 HA2 GLY 83 4.563 11.298 -1.829 675 HA3 GLY 83 HA1 GLY 83 3.419 12.537 -1.298 676 H ILE 84 HN ILE 84 2.757 9.144 -1.201 677 HA ILE 84 HA ILE 84 2.209 9.285 1.682 678 HB ILE 84 HB ILE 84 1.737 7.406 -0.587 679 HG12 ILE 84 HG12 ILE 84 -0.066 8.189 1.703 680 HG13 ILE 84 HG11 ILE 84 0.110 9.154 0.237 681 HG21 ILE 84 HG21 ILE 84 0.917 5.664 1.017 682 HG22 ILE 84 HG22 ILE 84 1.756 6.542 2.289 683 HG23 ILE 84 HG23 ILE 84 2.665 5.839 0.968 684 HD11 ILE 84 HD11 ILE 84 -1.824 7.662 0.026 685 HD12 ILE 84 HD12 ILE 84 -0.800 6.266 0.362 686 HD13 ILE 84 HD13 ILE 84 -0.569 7.193 -1.121 687 H GLN 85 HN GLN 85 3.223 7.939 3.239 688 HA GLN 85 HA GLN 85 5.822 6.680 2.461 689 HB2 GLN 85 HB2 GLN 85 5.298 8.443 4.875 690 HB3 GLN 85 HB1 GLN 85 6.780 7.524 4.595 691 HG2 GLN 85 HG2 GLN 85 7.371 8.825 2.712 692 HG3 GLN 85 HG1 GLN 85 5.737 9.466 2.539 693 HE21 GLN 85 HE21 GLN 85 5.026 11.098 4.157 694 HE22 GLN 85 HE22 GLN 85 6.179 11.994 5.023 695 H ALA 86 HN ALA 86 6.413 5.845 5.121 696 HA ALA 86 HA ALA 86 4.540 3.601 5.332 697 HB1 ALA 86 HB1 ALA 86 6.669 4.097 7.383 698 HB2 ALA 86 HB2 ALA 86 7.176 3.745 5.735 699 HB3 ALA 86 HB3 ALA 86 6.180 2.585 6.614 700 H ASP 87 HN ASP 87 4.609 6.734 6.509 701 HA ASP 87 HA ASP 87 3.391 6.117 9.126 702 HB2 ASP 87 HB2 ASP 87 4.954 8.077 8.735 703 HB3 ASP 87 HB1 ASP 87 3.669 8.805 7.772 704 H ALA 88 HN ALA 88 2.360 5.867 6.155 705 HA ALA 88 HA ALA 88 -0.287 7.193 6.523 706 HB1 ALA 88 HB1 ALA 88 1.104 7.341 4.359 707 HB2 ALA 88 HB2 ALA 88 -0.603 6.925 4.194 708 HB3 ALA 88 HB3 ALA 88 0.626 5.664 4.088 709 H LYS 89 HN LYS 89 -1.872 5.985 7.399 710 HA LYS 89 HA LYS 89 -1.707 3.013 7.286 711 HB2 LYS 89 HB2 LYS 89 -3.128 5.007 9.046 712 HB3 LYS 89 HB1 LYS 89 -3.801 3.403 8.881 713 HG2 LYS 89 HG2 LYS 89 -2.296 3.494 10.821 714 HG3 LYS 89 HG1 LYS 89 -1.672 2.399 9.593 715 HD2 LYS 89 HD2 LYS 89 0.118 3.841 10.492 716 HD3 LYS 89 HD1 LYS 89 -0.151 4.150 8.779 717 HE2 LYS 89 HE2 LYS 89 0.066 6.183 10.402 718 HE3 LYS 89 HE1 LYS 89 -1.206 6.204 9.184 719 HZ1 LYS 89 HZ1 LYS 89 -1.695 5.106 11.879 720 HZ2 LYS 89 HZ2 LYS 89 -2.821 5.676 10.742 721 HZ3 LYS 89 HZ3 LYS 89 -1.826 6.770 11.578 722 H LEU 90 HN LEU 90 -2.674 2.247 5.431 723 HA LEU 90 HA LEU 90 -4.865 3.743 4.184 724 HB2 LEU 90 HB2 LEU 90 -3.578 1.105 3.469 725 HB3 LEU 90 HB1 LEU 90 -4.756 1.964 2.479 726 HG LEU 90 HG LEU 90 -2.111 3.122 3.379 727 HD11 LEU 90 HD11 LEU 90 -1.841 1.224 1.801 728 HD12 LEU 90 HD12 LEU 90 -1.359 2.758 1.079 729 HD13 LEU 90 HD13 LEU 90 -2.914 2.039 0.665 730 HD21 LEU 90 HD21 LEU 90 -4.428 4.147 1.766 731 HD22 LEU 90 HD22 LEU 90 -2.805 4.657 1.303 732 HD23 LEU 90 HD23 LEU 90 -3.403 4.996 2.924 733 H GLN 91 HN GLN 91 -6.678 2.395 3.385 734 HA GLN 91 HA GLN 91 -7.699 0.472 5.336 735 HB2 GLN 91 HB2 GLN 91 -9.549 2.538 4.286 736 HB3 GLN 91 HB1 GLN 91 -9.738 1.494 5.662 737 HG2 GLN 91 HG2 GLN 91 -8.163 2.710 6.963 738 HG3 GLN 91 HG1 GLN 91 -7.602 3.623 5.577 739 HE21 GLN 91 HE21 GLN 91 -8.663 5.551 5.116 740 HE22 GLN 91 HE22 GLN 91 -10.092 6.065 5.869 741 H PHE 92 HN PHE 92 -9.713 -0.510 4.313 742 HA PHE 92 HA PHE 92 -9.449 -0.770 1.370 743 HB2 PHE 92 HB2 PHE 92 -8.486 -2.707 2.561 744 HB3 PHE 92 HB1 PHE 92 -10.004 -2.946 3.332 745 HD1 PHE 92 HD2 PHE 92 -12.102 -3.335 1.870 746 HD2 PHE 92 HD1 PHE 92 -8.068 -3.675 0.451 747 HE1 PHE 92 HE2 PHE 92 -12.882 -4.756 -0.002 748 HE2 PHE 92 HE1 PHE 92 -8.842 -5.112 -1.412 749 HZ PHE 92 HZ PHE 92 -11.252 -5.655 -1.638 750 H THR 93 HN THR 93 -11.415 -1.113 0.376 751 HA THR 93 HA THR 93 -13.855 -1.302 1.910 752 HB THR 93 HB THR 93 -13.525 0.941 2.475 753 HG1 THR 93 HG1 THR 93 -14.968 2.045 0.818 754 HG21 THR 93 HG21 THR 93 -12.997 2.635 0.638 755 HG22 THR 93 HG22 THR 93 -12.609 1.252 -0.375 756 HG23 THR 93 HG23 THR 93 -11.695 1.539 1.107 757 HA PRO 94 HA PRO 94 -15.213 -2.838 -2.001 758 HB2 PRO 94 HB2 PRO 94 -17.943 -2.507 -1.792 759 HB3 PRO 94 HB1 PRO 94 -17.042 -3.777 -0.941 760 HG2 PRO 94 HG2 PRO 94 -17.993 -1.135 0.080 761 HG3 PRO 94 HG1 PRO 94 -18.031 -2.725 0.865 762 HD2 PRO 94 HD2 PRO 94 -16.137 -0.877 1.474 763 HD3 PRO 94 HD1 PRO 94 -15.788 -2.619 1.494 Start of MODEL 9 1 H MET 1 HT1 MET 1 36.620 -4.617 11.714 2 HA MET 1 HA MET 1 36.405 -2.537 10.478 3 HB2 MET 1 HB2 MET 1 37.755 -4.182 8.318 4 HB3 MET 1 HB1 MET 1 36.986 -2.617 8.048 5 HG2 MET 1 HG2 MET 1 38.552 -1.485 9.422 6 HG3 MET 1 HG1 MET 1 39.130 -2.983 10.143 7 HE1 MET 1 HE1 MET 1 41.588 -3.856 9.328 8 HE2 MET 1 HE2 MET 1 41.358 -4.648 7.771 9 HE3 MET 1 HE3 MET 1 40.122 -4.797 9.017 10 H ALA 2 HN ALA 2 35.189 -2.866 7.929 11 HA ALA 2 HA ALA 2 33.608 -5.068 7.416 12 HB1 ALA 2 HB1 ALA 2 31.414 -4.151 8.623 13 HB2 ALA 2 HB2 ALA 2 32.591 -3.504 9.769 14 HB3 ALA 2 HB3 ALA 2 32.512 -5.239 9.470 15 H LEU 3 HN LEU 3 33.490 -4.280 5.368 16 HA LEU 3 HA LEU 3 33.246 -1.661 4.490 17 HB2 LEU 3 HB2 LEU 3 31.937 -4.119 3.298 18 HB3 LEU 3 HB1 LEU 3 32.192 -2.597 2.458 19 HG LEU 3 HG LEU 3 34.460 -4.147 3.717 20 HD11 LEU 3 HD11 LEU 3 34.911 -4.868 1.303 21 HD12 LEU 3 HD12 LEU 3 33.255 -4.372 0.952 22 HD13 LEU 3 HD13 LEU 3 33.562 -5.665 2.112 23 HD21 LEU 3 HD21 LEU 3 35.684 -2.832 1.832 24 HD22 LEU 3 HD22 LEU 3 35.169 -1.938 3.256 25 HD23 LEU 3 HD23 LEU 3 34.227 -1.844 1.771 26 H ASP 4 HN ASP 4 30.361 -3.458 3.811 27 HA ASP 4 HA ASP 4 28.098 -2.879 4.001 28 HB2 ASP 4 HB2 ASP 4 28.376 -3.655 6.233 29 HB3 ASP 4 HB1 ASP 4 29.289 -2.219 6.663 30 H GLY 5 HN GLY 5 30.417 -0.725 3.596 31 HA2 GLY 5 HA2 GLY 5 28.544 1.579 3.398 32 HA3 GLY 5 HA1 GLY 5 30.109 1.778 4.187 33 H ILE 6 HN ILE 6 29.769 -0.473 1.642 34 HA ILE 6 HA ILE 6 31.903 0.189 0.086 35 HB ILE 6 HB ILE 6 29.179 -0.615 -0.916 36 HG12 ILE 6 HG12 ILE 6 31.591 -2.136 0.112 37 HG13 ILE 6 HG11 ILE 6 29.954 -2.158 0.756 38 HG21 ILE 6 HG21 ILE 6 31.905 -1.035 -2.204 39 HG22 ILE 6 HG22 ILE 6 30.762 0.200 -2.722 40 HG23 ILE 6 HG23 ILE 6 30.346 -1.498 -2.880 41 HD11 ILE 6 HD11 ILE 6 31.096 -3.613 -1.568 42 HD12 ILE 6 HD12 ILE 6 29.457 -3.002 -1.780 43 HD13 ILE 6 HD13 ILE 6 29.824 -4.101 -0.450 44 H ARG 7 HN ARG 7 28.971 1.091 -1.519 45 HA ARG 7 HA ARG 7 29.714 3.951 -1.594 46 HB2 ARG 7 HB2 ARG 7 30.964 2.702 -3.407 47 HB3 ARG 7 HB1 ARG 7 29.411 2.263 -4.090 48 HG2 ARG 7 HG2 ARG 7 29.926 4.179 -5.321 49 HG3 ARG 7 HG1 ARG 7 28.924 4.835 -4.029 50 HD2 ARG 7 HD2 ARG 7 30.739 6.293 -3.936 51 HD3 ARG 7 HD1 ARG 7 31.270 5.060 -2.794 52 HE ARG 7 HE ARG 7 32.949 4.432 -4.329 53 HH11 ARG 7 HH21 ARG 7 30.495 6.372 -5.776 54 HH12 ARG 7 HH22 ARG 7 31.325 6.530 -7.289 55 HH21 ARG 7 HH11 ARG 7 34.048 4.626 -6.295 56 HH22 ARG 7 HH12 ARG 7 33.337 5.542 -7.582 57 H MET 8 HN MET 8 27.649 1.368 -2.671 58 HA MET 8 HA MET 8 25.249 3.070 -2.307 59 HB2 MET 8 HB2 MET 8 24.498 2.721 -4.532 60 HB3 MET 8 HB1 MET 8 26.208 2.991 -4.709 61 HG2 MET 8 HG2 MET 8 26.689 0.706 -5.064 62 HG3 MET 8 HG1 MET 8 25.112 0.179 -4.497 63 HE1 MET 8 HE1 MET 8 25.957 -0.034 -8.587 64 HE2 MET 8 HE2 MET 8 25.899 -1.078 -7.171 65 HE3 MET 8 HE3 MET 8 27.128 0.178 -7.280 66 HA PRO 9 HA PRO 9 23.178 -0.528 -0.713 67 HB2 PRO 9 HB2 PRO 9 22.069 -1.388 -3.372 68 HB3 PRO 9 HB1 PRO 9 21.253 -1.271 -1.796 69 HG2 PRO 9 HG2 PRO 9 20.839 0.614 -3.542 70 HG3 PRO 9 HG1 PRO 9 21.217 1.065 -1.867 71 HD2 PRO 9 HD2 PRO 9 23.026 1.081 -4.256 72 HD3 PRO 9 HD1 PRO 9 22.850 2.314 -2.979 73 H ASP 10 HN ASP 10 25.743 -0.800 -2.660 74 HA ASP 10 HA ASP 10 25.738 -3.706 -3.124 75 HB2 ASP 10 HB2 ASP 10 28.005 -1.674 -3.153 76 HB3 ASP 10 HB1 ASP 10 28.141 -3.350 -3.684 77 H GLY 11 HN GLY 11 25.709 -1.838 -0.533 78 HA2 GLY 11 HA2 GLY 11 26.216 -3.694 1.442 79 HA3 GLY 11 HA1 GLY 11 27.788 -2.945 1.151 80 H CYS 12 HN CYS 12 26.123 -0.465 0.286 81 HA CYS 12 HA CYS 12 26.393 1.005 2.701 82 HB2 CYS 12 HB2 CYS 12 26.319 2.074 0.485 83 HB3 CYS 12 HB1 CYS 12 24.632 1.596 0.308 84 HG CYS 12 HG CYS 12 25.056 3.210 2.848 85 H TYR 13 HN TYR 13 23.208 0.974 1.201 86 HA TYR 13 HA TYR 13 21.975 0.615 3.856 87 HB2 TYR 13 HB2 TYR 13 20.911 1.299 1.107 88 HB3 TYR 13 HB1 TYR 13 19.849 0.990 2.477 89 HD1 TYR 13 HD2 TYR 13 20.191 2.368 4.614 90 HD2 TYR 13 HD1 TYR 13 21.938 3.415 0.832 91 HE1 TYR 13 HE2 TYR 13 20.539 4.688 5.417 92 HE2 TYR 13 HE1 TYR 13 22.286 5.735 1.636 93 HH TYR 13 HH TYR 13 21.177 6.744 4.868 94 H ALA 14 HN ALA 14 19.652 -0.700 3.318 95 HA ALA 14 HA ALA 14 20.603 -3.459 2.686 96 HB1 ALA 14 HB1 ALA 14 18.115 -2.479 4.119 97 HB2 ALA 14 HB2 ALA 14 19.551 -3.165 4.878 98 HB3 ALA 14 HB3 ALA 14 18.529 -4.173 3.853 99 H ASP 15 HN ASP 15 17.256 -3.224 2.562 100 HA ASP 15 HA ASP 15 17.282 -3.578 -0.365 101 HB2 ASP 15 HB2 ASP 15 15.357 -4.111 1.880 102 HB3 ASP 15 HB1 ASP 15 14.737 -3.989 0.242 103 H GLY 16 HN GLY 16 16.187 -1.334 2.078 104 HA2 GLY 16 HA2 GLY 16 15.530 0.921 1.832 105 HA3 GLY 16 HA1 GLY 16 15.863 0.776 0.105 106 H THR 17 HN THR 17 13.924 -1.774 0.950 107 HA THR 17 HA THR 17 11.569 -0.509 -0.294 108 HB THR 17 HB THR 17 10.613 -2.850 -0.033 109 HG1 THR 17 HG1 THR 17 12.460 -4.365 0.426 110 HG21 THR 17 HG21 THR 17 12.087 -1.951 -2.011 111 HG22 THR 17 HG22 THR 17 11.773 -3.680 -1.890 112 HG23 THR 17 HG23 THR 17 13.314 -3.024 -1.342 113 H TRP 18 HN TRP 18 9.360 -1.371 0.870 114 HA TRP 18 HA TRP 18 9.577 -1.316 3.798 115 HB2 TRP 18 HB2 TRP 18 7.916 0.712 3.849 116 HB3 TRP 18 HB1 TRP 18 9.641 1.005 3.719 117 HD1 TRP 18 HD1 TRP 18 10.409 2.460 1.797 118 HE1 TRP 18 HE1 TRP 18 9.309 3.448 -0.328 119 HE3 TRP 18 HE3 TRP 18 5.923 -0.023 1.834 120 HZ2 TRP 18 HZ2 TRP 18 6.902 3.253 -1.766 121 HZ3 TRP 18 HZ3 TRP 18 4.268 0.409 0.023 122 HH2 TRP 18 HH2 TRP 18 4.756 2.039 -1.752 123 H GLU 19 HN GLU 19 7.000 -0.813 4.552 124 HA GLU 19 HA GLU 19 5.351 -2.657 2.897 125 HB2 GLU 19 HB2 GLU 19 4.392 -3.579 4.931 126 HB3 GLU 19 HB1 GLU 19 6.136 -3.790 4.968 127 HG2 GLU 19 HG2 GLU 19 4.603 -1.583 6.367 128 HG3 GLU 19 HG1 GLU 19 5.286 -3.003 7.148 129 H LEU 20 HN LEU 20 3.070 -2.461 3.930 130 HA LEU 20 HA LEU 20 2.306 0.375 4.356 131 HB2 LEU 20 HB2 LEU 20 2.011 -1.122 1.908 132 HB3 LEU 20 HB1 LEU 20 0.400 -0.816 2.560 133 HG LEU 20 HG LEU 20 1.146 0.973 1.022 134 HD11 LEU 20 HD11 LEU 20 0.289 2.728 2.286 135 HD12 LEU 20 HD12 LEU 20 1.114 2.227 3.756 136 HD13 LEU 20 HD13 LEU 20 -0.297 1.333 3.189 137 HD21 LEU 20 HD21 LEU 20 3.103 2.075 2.979 138 HD22 LEU 20 HD22 LEU 20 3.121 2.102 1.216 139 HD23 LEU 20 HD23 LEU 20 3.617 0.656 2.077 140 H SER 21 HN SER 21 0.194 0.591 5.285 141 HA SER 21 HA SER 21 -0.924 -1.892 6.483 142 HB2 SER 21 HB2 SER 21 -1.680 -0.225 8.330 143 HB3 SER 21 HB1 SER 21 -0.009 -0.765 8.304 144 HG SER 21 HG SER 21 0.434 1.284 8.192 145 H VAL 22 HN VAL 22 -2.957 -2.257 6.153 146 HA VAL 22 HA VAL 22 -4.664 -0.113 4.973 147 HB VAL 22 HB VAL 22 -4.332 -3.001 4.255 148 HG11 VAL 22 HG11 VAL 22 -6.650 -3.079 5.003 149 HG12 VAL 22 HG12 VAL 22 -6.638 -3.013 3.241 150 HG13 VAL 22 HG13 VAL 22 -6.995 -1.563 4.171 151 HG21 VAL 22 HG21 VAL 22 -5.112 -0.483 2.755 152 HG22 VAL 22 HG22 VAL 22 -4.861 -2.059 2.013 153 HG23 VAL 22 HG23 VAL 22 -3.511 -1.227 2.789 154 H HIS 23 HN HIS 23 -6.828 -0.228 5.489 155 HA HIS 23 HA HIS 23 -7.596 -1.434 8.096 156 HB2 HIS 23 HB2 HIS 23 -6.842 1.253 7.727 157 HB3 HIS 23 HB1 HIS 23 -8.590 1.325 7.773 158 HD1 HIS 23 HD1 HIS 23 -9.757 0.574 9.993 159 HD2 HIS 23 HD2 HIS 23 -5.593 0.517 10.177 160 HE1 HIS 23 HE1 HIS 23 -9.152 0.343 12.441 161 H VAL 24 HN VAL 24 -9.566 -2.403 7.852 162 HA VAL 24 HA VAL 24 -11.277 -1.606 5.592 163 HB VAL 24 HB VAL 24 -11.994 -3.776 7.531 164 HG11 VAL 24 HG11 VAL 24 -12.992 -4.791 5.552 165 HG12 VAL 24 HG12 VAL 24 -12.281 -3.564 4.518 166 HG13 VAL 24 HG13 VAL 24 -13.529 -3.118 5.669 167 HG21 VAL 24 HG21 VAL 24 -9.797 -3.817 5.457 168 HG22 VAL 24 HG22 VAL 24 -10.641 -5.296 5.921 169 HG23 VAL 24 HG23 VAL 24 -9.747 -4.379 7.127 170 H THR 25 HN THR 25 -12.611 0.051 5.924 171 HA THR 25 HA THR 25 -13.384 0.848 8.612 172 HB THR 25 HB THR 25 -14.358 2.756 7.562 173 HG1 THR 25 HG1 THR 25 -14.135 1.294 5.145 174 HG21 THR 25 HG21 THR 25 -12.520 3.564 6.201 175 HG22 THR 25 HG22 THR 25 -11.999 1.912 5.865 176 HG23 THR 25 HG23 THR 25 -11.864 2.565 7.498 177 H ASP 26 HN ASP 26 -15.508 0.335 5.770 178 HA ASP 26 HA ASP 26 -17.872 0.047 7.310 179 HB2 ASP 26 HB2 ASP 26 -17.632 0.447 4.784 180 HB3 ASP 26 HB1 ASP 26 -17.454 -1.302 4.644 181 H VAL 27 HN VAL 27 -15.441 -1.874 7.896 182 HA VAL 27 HA VAL 27 -17.174 -4.254 8.371 183 HB VAL 27 HB VAL 27 -14.340 -4.496 7.372 184 HG11 VAL 27 HG11 VAL 27 -16.601 -6.504 7.401 185 HG12 VAL 27 HG12 VAL 27 -15.443 -6.351 8.721 186 HG13 VAL 27 HG13 VAL 27 -14.891 -6.819 7.111 187 HG21 VAL 27 HG21 VAL 27 -15.280 -5.086 5.182 188 HG22 VAL 27 HG22 VAL 27 -15.792 -3.459 5.619 189 HG23 VAL 27 HG23 VAL 27 -16.910 -4.809 5.790 190 H ASN 28 HN ASN 28 -14.496 -2.220 9.264 191 HA ASN 28 HA ASN 28 -13.614 -1.786 11.358 192 HB2 ASN 28 HB2 ASN 28 -15.991 -2.720 11.933 193 HB3 ASN 28 HB1 ASN 28 -15.081 -4.089 12.551 194 HD21 ASN 28 HD21 ASN 28 -16.493 -1.372 13.687 195 HD22 ASN 28 HD22 ASN 28 -15.417 -0.954 14.932 196 H ARG 29 HN ARG 29 -12.664 -4.034 9.484 197 HA ARG 29 HA ARG 29 -10.903 -5.440 11.487 198 HB2 ARG 29 HB2 ARG 29 -10.805 -6.486 8.714 199 HB3 ARG 29 HB1 ARG 29 -10.984 -7.351 10.242 200 HG2 ARG 29 HG2 ARG 29 -13.369 -6.723 10.325 201 HG3 ARG 29 HG1 ARG 29 -13.180 -5.866 8.797 202 HD2 ARG 29 HD2 ARG 29 -14.100 -8.296 8.722 203 HD3 ARG 29 HD1 ARG 29 -12.836 -7.844 7.578 204 HE ARG 29 HE ARG 29 -11.826 -8.997 10.073 205 HH11 ARG 29 HH21 ARG 29 -12.987 -9.511 6.867 206 HH12 ARG 29 HH22 ARG 29 -12.178 -11.030 6.675 207 HH21 ARG 29 HH11 ARG 29 -10.760 -10.976 9.839 208 HH22 ARG 29 HH12 ARG 29 -10.917 -11.860 8.358 209 H ASP 30 HN ASP 30 -8.701 -6.000 10.094 210 HA ASP 30 HA ASP 30 -7.946 -3.712 8.415 211 HB2 ASP 30 HB2 ASP 30 -5.801 -3.680 10.198 212 HB3 ASP 30 HB1 ASP 30 -7.105 -2.494 10.147 213 H VAL 31 HN VAL 31 -6.164 -4.105 7.180 214 HA VAL 31 HA VAL 31 -4.762 -6.702 7.455 215 HB VAL 31 HB VAL 31 -5.862 -5.775 4.785 216 HG11 VAL 31 HG11 VAL 31 -4.095 -7.459 4.754 217 HG12 VAL 31 HG12 VAL 31 -5.620 -8.212 4.295 218 HG13 VAL 31 HG13 VAL 31 -4.977 -8.446 5.917 219 HG21 VAL 31 HG21 VAL 31 -7.798 -6.030 6.304 220 HG22 VAL 31 HG22 VAL 31 -7.234 -7.639 6.752 221 HG23 VAL 31 HG23 VAL 31 -7.762 -7.313 5.103 222 H THR 32 HN THR 32 -2.705 -6.551 6.052 223 HA THR 32 HA THR 32 -2.007 -3.710 5.427 224 HB THR 32 HB THR 32 0.162 -4.031 6.470 225 HG1 THR 32 HG1 THR 32 0.766 -6.030 6.589 226 HG21 THR 32 HG21 THR 32 -2.030 -3.432 7.800 227 HG22 THR 32 HG22 THR 32 -0.532 -3.753 8.672 228 HG23 THR 32 HG23 THR 32 -1.762 -5.010 8.543 229 H LEU 33 HN LEU 33 -0.560 -3.401 3.764 230 HA LEU 33 HA LEU 33 -0.222 -5.752 1.969 231 HB2 LEU 33 HB2 LEU 33 -0.315 -2.783 1.524 232 HB3 LEU 33 HB1 LEU 33 0.541 -3.786 0.367 233 HG LEU 33 HG LEU 33 -1.779 -3.382 -0.315 234 HD11 LEU 33 HD11 LEU 33 -2.090 -5.485 -1.156 235 HD12 LEU 33 HD12 LEU 33 -1.816 -6.277 0.386 236 HD13 LEU 33 HD13 LEU 33 -0.448 -5.694 -0.560 237 HD21 LEU 33 HD21 LEU 33 -2.445 -3.562 2.330 238 HD22 LEU 33 HD22 LEU 33 -2.945 -5.149 1.752 239 HD23 LEU 33 HD23 LEU 33 -3.592 -3.693 1.005 240 H ARG 34 HN ARG 34 1.727 -6.387 1.341 241 HA ARG 34 HA ARG 34 4.122 -5.100 2.595 242 HB2 ARG 34 HB2 ARG 34 3.338 -7.736 2.617 243 HB3 ARG 34 HB1 ARG 34 4.420 -7.710 1.231 244 HG2 ARG 34 HG2 ARG 34 5.208 -6.503 3.895 245 HG3 ARG 34 HG1 ARG 34 5.460 -8.172 3.502 246 HD2 ARG 34 HD2 ARG 34 6.981 -7.706 1.772 247 HD3 ARG 34 HD1 ARG 34 6.420 -6.040 1.630 248 HE ARG 34 HE ARG 34 7.867 -5.452 3.403 249 HH11 ARG 34 HH21 ARG 34 7.410 -8.863 3.157 250 HH12 ARG 34 HH22 ARG 34 8.629 -9.242 4.328 251 HH21 ARG 34 HH11 ARG 34 9.457 -5.929 4.931 252 HH22 ARG 34 HH12 ARG 34 9.788 -7.581 5.331 253 H VAL 35 HN VAL 35 4.454 -3.455 1.011 254 HA VAL 35 HA VAL 35 5.337 -4.422 -1.648 255 HB VAL 35 HB VAL 35 3.838 -2.767 -2.768 256 HG11 VAL 35 HG11 VAL 35 1.928 -4.177 -2.785 257 HG12 VAL 35 HG12 VAL 35 2.213 -4.716 -1.133 258 HG13 VAL 35 HG13 VAL 35 3.286 -5.239 -2.433 259 HG21 VAL 35 HG21 VAL 35 3.131 -1.167 -1.248 260 HG22 VAL 35 HG22 VAL 35 3.004 -2.311 0.081 261 HG23 VAL 35 HG23 VAL 35 1.745 -2.247 -1.145 262 H THR 36 HN THR 36 5.592 -2.187 -3.034 263 HA THR 36 HA THR 36 7.064 -0.203 -1.353 264 HB THR 36 HB THR 36 8.820 -0.181 -3.191 265 HG1 THR 36 HG1 THR 36 7.775 -2.753 -3.733 266 HG21 THR 36 HG21 THR 36 8.403 -2.509 -1.321 267 HG22 THR 36 HG22 THR 36 9.495 -1.135 -1.153 268 HG23 THR 36 HG23 THR 36 9.841 -2.398 -2.333 269 H GLY 37 HN GLY 37 7.728 1.650 -2.894 270 HA2 GLY 37 HA2 GLY 37 5.499 3.008 -3.885 271 HA3 GLY 37 HA1 GLY 37 7.149 3.377 -4.331 272 H GLU 38 HN GLU 38 6.490 0.201 -5.158 273 HA GLU 38 HA GLU 38 6.209 0.979 -8.014 274 HB2 GLU 38 HB2 GLU 38 7.283 -1.106 -8.488 275 HB3 GLU 38 HB1 GLU 38 8.133 -0.393 -7.120 276 HG2 GLU 38 HG2 GLU 38 7.836 -2.560 -6.324 277 HG3 GLU 38 HG1 GLU 38 6.396 -1.768 -5.677 278 H VAL 39 HN VAL 39 4.374 -0.621 -5.509 279 HA VAL 39 HA VAL 39 2.902 -2.344 -7.312 280 HB VAL 39 HB VAL 39 2.997 -2.856 -4.944 281 HG11 VAL 39 HG11 VAL 39 3.097 -0.480 -4.216 282 HG12 VAL 39 HG12 VAL 39 1.944 -1.433 -3.297 283 HG13 VAL 39 HG13 VAL 39 1.378 -0.338 -4.546 284 HG21 VAL 39 HG21 VAL 39 0.669 -3.336 -4.568 285 HG22 VAL 39 HG22 VAL 39 0.959 -3.470 -6.301 286 HG23 VAL 39 HG23 VAL 39 0.168 -2.037 -5.648 287 H HIS 40 HN HIS 40 1.132 -1.928 -8.499 288 HA HIS 40 HA HIS 40 0.320 0.796 -8.992 289 HB2 HIS 40 HB2 HIS 40 -0.732 -1.904 -9.831 290 HB3 HIS 40 HB1 HIS 40 -1.559 -0.417 -10.279 291 HD1 HIS 40 HD1 HIS 40 0.463 -2.619 -11.917 292 HD2 HIS 40 HD2 HIS 40 0.956 1.452 -11.166 293 HE1 HIS 40 HE1 HIS 40 2.108 -1.766 -13.643 294 H ILE 41 HN ILE 41 -1.650 1.830 -8.327 295 HA ILE 41 HA ILE 41 -2.688 1.109 -5.776 296 HB ILE 41 HB ILE 41 -4.198 2.564 -7.956 297 HG12 ILE 41 HG12 ILE 41 -2.192 3.609 -5.935 298 HG13 ILE 41 HG11 ILE 41 -1.932 3.506 -7.671 299 HG21 ILE 41 HG21 ILE 41 -5.461 3.512 -6.178 300 HG22 ILE 41 HG22 ILE 41 -4.300 2.977 -4.961 301 HG23 ILE 41 HG23 ILE 41 -5.338 1.803 -5.767 302 HD11 ILE 41 HD11 ILE 41 -3.022 5.677 -6.270 303 HD12 ILE 41 HD12 ILE 41 -4.398 4.950 -7.095 304 HD13 ILE 41 HD13 ILE 41 -2.986 5.449 -8.011 305 H GLY 42 HN GLY 42 -3.887 0.617 -9.062 306 HA2 GLY 42 HA2 GLY 42 -6.066 -1.116 -8.365 307 HA3 GLY 42 HA1 GLY 42 -5.274 -1.042 -9.949 308 H GLY 43 HN GLY 43 -2.820 -1.458 -7.820 309 HA2 GLY 43 HA2 GLY 43 -2.855 -4.445 -8.095 310 HA3 GLY 43 HA1 GLY 43 -1.389 -3.461 -8.091 311 H VAL 44 HN VAL 44 -2.635 -1.714 -6.028 312 HA VAL 44 HA VAL 44 -1.545 -2.968 -3.689 313 HB VAL 44 HB VAL 44 -3.227 -0.549 -4.304 314 HG11 VAL 44 HG11 VAL 44 -2.954 0.067 -1.838 315 HG12 VAL 44 HG12 VAL 44 -2.589 -1.633 -1.566 316 HG13 VAL 44 HG13 VAL 44 -4.160 -1.164 -2.206 317 HG21 VAL 44 HG21 VAL 44 -0.440 -1.011 -3.238 318 HG22 VAL 44 HG22 VAL 44 -1.220 0.568 -3.176 319 HG23 VAL 44 HG23 VAL 44 -0.927 -0.205 -4.730 320 H MET 45 HN MET 45 -4.777 -2.548 -5.040 321 HA MET 45 HA MET 45 -6.109 -3.878 -2.822 322 HB2 MET 45 HB2 MET 45 -7.898 -4.004 -4.926 323 HB3 MET 45 HB1 MET 45 -7.735 -2.649 -3.815 324 HG2 MET 45 HG2 MET 45 -6.383 -1.419 -5.308 325 HG3 MET 45 HG1 MET 45 -6.043 -2.834 -6.296 326 HE1 MET 45 HE1 MET 45 -7.908 0.262 -5.878 327 HE2 MET 45 HE2 MET 45 -9.032 -0.665 -4.889 328 HE3 MET 45 HE3 MET 45 -9.571 0.007 -6.424 329 H LEU 46 HN LEU 46 -4.917 -4.859 -6.017 330 HA LEU 46 HA LEU 46 -5.971 -7.545 -5.802 331 HB2 LEU 46 HB2 LEU 46 -3.603 -6.555 -7.407 332 HB3 LEU 46 HB1 LEU 46 -4.469 -8.068 -7.663 333 HG LEU 46 HG LEU 46 -5.776 -5.340 -7.808 334 HD11 LEU 46 HD11 LEU 46 -5.567 -5.411 -10.181 335 HD12 LEU 46 HD12 LEU 46 -5.043 -7.094 -10.161 336 HD13 LEU 46 HD13 LEU 46 -3.966 -5.830 -9.574 337 HD21 LEU 46 HD21 LEU 46 -6.672 -8.172 -8.365 338 HD22 LEU 46 HD22 LEU 46 -7.442 -6.821 -9.193 339 HD23 LEU 46 HD23 LEU 46 -7.487 -6.914 -7.436 340 H LYS 47 HN LYS 47 -2.687 -6.212 -5.377 341 HA LYS 47 HA LYS 47 -1.443 -8.501 -4.385 342 HB2 LYS 47 HB2 LYS 47 -0.411 -6.192 -4.742 343 HB3 LYS 47 HB1 LYS 47 -1.076 -5.744 -3.184 344 HG2 LYS 47 HG2 LYS 47 1.042 -6.477 -2.545 345 HG3 LYS 47 HG1 LYS 47 0.089 -7.947 -2.348 346 HD2 LYS 47 HD2 LYS 47 1.833 -8.809 -3.624 347 HD3 LYS 47 HD1 LYS 47 0.763 -8.300 -4.928 348 HE2 LYS 47 HE2 LYS 47 2.688 -7.253 -5.650 349 HE3 LYS 47 HE1 LYS 47 2.116 -5.984 -4.565 350 HZ1 LYS 47 HZ1 LYS 47 3.461 -6.994 -2.796 351 HZ2 LYS 47 HZ2 LYS 47 4.411 -6.491 -4.112 352 HZ3 LYS 47 HZ3 LYS 47 4.053 -8.138 -3.900 353 H LEU 48 HN LEU 48 -3.794 -6.416 -2.910 354 HA LEU 48 HA LEU 48 -3.594 -7.660 -0.267 355 HB2 LEU 48 HB2 LEU 48 -4.210 -5.383 -0.261 356 HB3 LEU 48 HB1 LEU 48 -5.372 -5.601 -1.534 357 HG LEU 48 HG LEU 48 -6.882 -6.758 -0.083 358 HD11 LEU 48 HD11 LEU 48 -5.588 -8.162 1.281 359 HD12 LEU 48 HD12 LEU 48 -6.111 -6.935 2.425 360 HD13 LEU 48 HD13 LEU 48 -4.488 -6.869 1.744 361 HD21 LEU 48 HD21 LEU 48 -6.570 -4.190 0.100 362 HD22 LEU 48 HD22 LEU 48 -5.761 -4.531 1.630 363 HD23 LEU 48 HD23 LEU 48 -7.445 -4.999 1.403 364 H VAL 49 HN VAL 49 -6.097 -7.493 -2.845 365 HA VAL 49 HA VAL 49 -7.825 -9.451 -1.724 366 HB VAL 49 HB VAL 49 -7.197 -9.110 -4.672 367 HG11 VAL 49 HG11 VAL 49 -8.539 -11.010 -4.519 368 HG12 VAL 49 HG12 VAL 49 -9.743 -9.739 -4.730 369 HG13 VAL 49 HG13 VAL 49 -9.431 -10.399 -3.127 370 HG21 VAL 49 HG21 VAL 49 -9.606 -7.709 -3.809 371 HG22 VAL 49 HG22 VAL 49 -8.188 -7.055 -4.626 372 HG23 VAL 49 HG23 VAL 49 -8.224 -7.136 -2.866 373 H GLU 50 HN GLU 50 -4.978 -9.719 -3.773 374 HA GLU 50 HA GLU 50 -4.942 -12.536 -4.087 375 HB2 GLU 50 HB2 GLU 50 -2.720 -10.485 -3.963 376 HB3 GLU 50 HB1 GLU 50 -2.440 -12.185 -4.352 377 HG2 GLU 50 HG2 GLU 50 -3.932 -12.047 -6.254 378 HG3 GLU 50 HG1 GLU 50 -4.391 -10.409 -5.834 379 H LYS 51 HN LYS 51 -3.541 -10.438 -1.511 380 HA LYS 51 HA LYS 51 -2.326 -12.523 -0.021 381 HB2 LYS 51 HB2 LYS 51 -3.318 -9.780 0.541 382 HB3 LYS 51 HB1 LYS 51 -3.191 -10.816 1.945 383 HG2 LYS 51 HG2 LYS 51 -0.834 -11.303 1.377 384 HG3 LYS 51 HG1 LYS 51 -0.973 -10.273 -0.045 385 HD2 LYS 51 HD2 LYS 51 0.094 -9.055 1.813 386 HD3 LYS 51 HD1 LYS 51 -1.454 -8.331 1.386 387 HE2 LYS 51 HE2 LYS 51 -0.870 -8.778 3.920 388 HE3 LYS 51 HE1 LYS 51 -2.501 -9.085 3.330 389 HZ1 LYS 51 HZ1 LYS 51 -2.183 -11.340 3.350 390 HZ2 LYS 51 HZ2 LYS 51 -1.239 -10.884 4.687 391 HZ3 LYS 51 HZ3 LYS 51 -0.498 -11.230 3.198 392 H LEU 52 HN LEU 52 -5.601 -11.088 0.477 393 HA LEU 52 HA LEU 52 -6.374 -13.476 2.049 394 HB2 LEU 52 HB2 LEU 52 -8.032 -11.097 1.168 395 HB3 LEU 52 HB1 LEU 52 -8.494 -12.300 2.372 396 HG LEU 52 HG LEU 52 -6.058 -10.509 2.590 397 HD11 LEU 52 HD11 LEU 52 -8.883 -10.234 3.603 398 HD12 LEU 52 HD12 LEU 52 -7.854 -9.027 2.832 399 HD13 LEU 52 HD13 LEU 52 -7.540 -9.523 4.494 400 HD21 LEU 52 HD21 LEU 52 -5.611 -12.380 3.938 401 HD22 LEU 52 HD22 LEU 52 -7.308 -12.620 4.351 402 HD23 LEU 52 HD23 LEU 52 -6.401 -11.295 5.078 403 H ASP 53 HN ASP 53 -6.532 -15.223 0.648 404 HA ASP 53 HA ASP 53 -7.869 -14.942 -1.950 405 HB2 ASP 53 HB2 ASP 53 -5.917 -16.518 -1.439 406 HB3 ASP 53 HB1 ASP 53 -7.088 -17.522 -0.582 407 H VAL 54 HN VAL 54 -10.059 -14.642 -1.814 408 HA VAL 54 HA VAL 54 -11.704 -16.810 -0.843 409 HB VAL 54 HB VAL 54 -11.072 -15.540 1.279 410 HG11 VAL 54 HG11 VAL 54 -11.890 -13.381 1.680 411 HG12 VAL 54 HG12 VAL 54 -13.053 -13.466 0.359 412 HG13 VAL 54 HG13 VAL 54 -11.334 -13.282 0.011 413 HG21 VAL 54 HG21 VAL 54 -14.045 -15.428 0.740 414 HG22 VAL 54 HG22 VAL 54 -13.219 -15.825 2.244 415 HG23 VAL 54 HG23 VAL 54 -13.196 -16.965 0.902 416 H LYS 55 HN LYS 55 -11.227 -15.217 -3.236 417 HA LYS 55 HA LYS 55 -12.414 -14.223 -4.976 418 HB2 LYS 55 HB2 LYS 55 -14.660 -15.542 -3.438 419 HB3 LYS 55 HB1 LYS 55 -14.898 -14.740 -4.990 420 HG2 LYS 55 HG2 LYS 55 -13.223 -16.216 -6.025 421 HG3 LYS 55 HG1 LYS 55 -12.960 -17.012 -4.473 422 HD2 LYS 55 HD2 LYS 55 -15.170 -17.916 -4.450 423 HD3 LYS 55 HD1 LYS 55 -15.684 -16.876 -5.779 424 HE2 LYS 55 HE2 LYS 55 -15.252 -19.194 -6.548 425 HE3 LYS 55 HE1 LYS 55 -14.157 -18.040 -7.309 426 HZ1 LYS 55 HZ1 LYS 55 -13.594 -20.132 -5.372 427 HZ2 LYS 55 HZ2 LYS 55 -12.759 -18.670 -5.148 428 HZ3 LYS 55 HZ3 LYS 55 -12.621 -19.513 -6.616 429 H LYS 56 HN LYS 56 -11.704 -12.331 -3.111 430 HA LYS 56 HA LYS 56 -14.045 -10.787 -2.283 431 HB2 LYS 56 HB2 LYS 56 -11.433 -10.861 -1.424 432 HB3 LYS 56 HB1 LYS 56 -11.399 -9.418 -2.423 433 HG2 LYS 56 HG2 LYS 56 -12.050 -8.518 -0.371 434 HG3 LYS 56 HG1 LYS 56 -13.613 -8.796 -1.135 435 HD2 LYS 56 HD2 LYS 56 -13.992 -9.818 0.921 436 HD3 LYS 56 HD1 LYS 56 -13.377 -11.195 0.001 437 HE2 LYS 56 HE2 LYS 56 -12.208 -11.119 2.127 438 HE3 LYS 56 HE1 LYS 56 -11.075 -10.647 0.859 439 HZ1 LYS 56 HZ1 LYS 56 -12.223 -9.068 3.005 440 HZ2 LYS 56 HZ2 LYS 56 -12.122 -8.290 1.498 441 HZ3 LYS 56 HZ3 LYS 56 -10.723 -8.919 2.228 442 H ASP 57 HN ASP 57 -14.010 -8.375 -2.992 443 HA ASP 57 HA ASP 57 -14.372 -8.391 -5.884 444 HB2 ASP 57 HB2 ASP 57 -14.516 -5.969 -4.112 445 HB3 ASP 57 HB1 ASP 57 -15.416 -6.314 -5.584 446 H TRP 58 HN TRP 58 -13.274 -6.977 -7.349 447 HA TRP 58 HA TRP 58 -10.458 -6.434 -6.592 448 HB2 TRP 58 HB2 TRP 58 -11.930 -6.799 -9.200 449 HB3 TRP 58 HB1 TRP 58 -10.341 -6.043 -9.174 450 HD1 TRP 58 HD1 TRP 58 -10.956 -8.735 -6.609 451 HE1 TRP 58 HE1 TRP 58 -9.616 -10.843 -7.235 452 HE3 TRP 58 HE3 TRP 58 -9.409 -7.433 -11.296 453 HZ2 TRP 58 HZ2 TRP 58 -8.088 -11.846 -9.434 454 HZ3 TRP 58 HZ3 TRP 58 -8.012 -8.983 -12.633 455 HH2 TRP 58 HH2 TRP 58 -7.350 -11.185 -11.709 456 H SER 59 HN SER 59 -12.332 -4.758 -9.077 457 HA SER 59 HA SER 59 -11.297 -2.190 -8.118 458 HB2 SER 59 HB2 SER 59 -11.443 -2.659 -10.527 459 HB3 SER 59 HB1 SER 59 -13.191 -2.829 -10.395 460 HG SER 59 HG SER 59 -12.618 -0.732 -11.059 461 H ASP 60 HN ASP 60 -14.434 -3.842 -8.099 462 HA ASP 60 HA ASP 60 -16.145 -1.708 -7.565 463 HB2 ASP 60 HB2 ASP 60 -16.640 -4.265 -7.710 464 HB3 ASP 60 HB1 ASP 60 -16.377 -4.253 -5.969 465 H HIS 61 HN HIS 61 -14.032 -3.391 -5.220 466 HA HIS 61 HA HIS 61 -14.934 -1.679 -3.047 467 HB2 HIS 61 HB2 HIS 61 -13.433 -2.898 -1.669 468 HB3 HIS 61 HB1 HIS 61 -14.091 -4.075 -2.796 469 HD1 HIS 61 HD1 HIS 61 -12.400 -5.438 -4.013 470 HD2 HIS 61 HD2 HIS 61 -10.773 -1.869 -2.607 471 HE1 HIS 61 HE1 HIS 61 -9.923 -5.520 -4.519 472 H ALA 62 HN ALA 62 -12.928 -0.642 -1.731 473 HA ALA 62 HA ALA 62 -10.965 0.620 -3.544 474 HB1 ALA 62 HB1 ALA 62 -13.184 2.181 -2.199 475 HB2 ALA 62 HB2 ALA 62 -12.929 2.008 -3.939 476 HB3 ALA 62 HB3 ALA 62 -11.772 2.914 -2.962 477 H LEU 63 HN LEU 63 -9.541 2.168 -2.296 478 HA LEU 63 HA LEU 63 -9.305 1.297 0.535 479 HB2 LEU 63 HB2 LEU 63 -7.241 2.668 -1.184 480 HB3 LEU 63 HB1 LEU 63 -6.984 1.948 0.396 481 HG LEU 63 HG LEU 63 -6.132 0.398 -1.164 482 HD11 LEU 63 HD11 LEU 63 -7.683 -0.457 0.660 483 HD12 LEU 63 HD12 LEU 63 -7.350 -1.555 -0.680 484 HD13 LEU 63 HD13 LEU 63 -8.882 -0.685 -0.617 485 HD21 LEU 63 HD21 LEU 63 -8.680 0.072 -2.704 486 HD22 LEU 63 HD22 LEU 63 -7.014 -0.175 -3.230 487 HD23 LEU 63 HD23 LEU 63 -7.662 1.462 -3.085 488 H TRP 64 HN TRP 64 -10.031 2.800 2.030 489 HA TRP 64 HA TRP 64 -10.267 5.611 1.116 490 HB2 TRP 64 HB2 TRP 64 -11.798 4.164 2.868 491 HB3 TRP 64 HB1 TRP 64 -10.722 4.954 4.001 492 HD1 TRP 64 HD1 TRP 64 -10.354 7.728 2.615 493 HE1 TRP 64 HE1 TRP 64 -12.320 9.392 2.501 494 HE3 TRP 64 HE3 TRP 64 -14.266 4.514 3.263 495 HZ2 TRP 64 HZ2 TRP 64 -15.176 9.363 2.668 496 HZ3 TRP 64 HZ3 TRP 64 -16.596 5.357 3.286 497 HH2 TRP 64 HH2 TRP 64 -17.056 7.776 2.990 498 H TRP 65 HN TRP 65 -8.757 7.164 1.588 499 HA TRP 65 HA TRP 65 -6.305 6.301 3.021 500 HB2 TRP 65 HB2 TRP 65 -6.331 7.455 0.723 501 HB3 TRP 65 HB1 TRP 65 -6.781 8.921 1.582 502 HD1 TRP 65 HD1 TRP 65 -4.652 7.467 4.017 503 HE1 TRP 65 HE1 TRP 65 -2.202 8.203 3.773 504 HE3 TRP 65 HE3 TRP 65 -4.762 9.345 -0.731 505 HZ2 TRP 65 HZ2 TRP 65 -0.506 9.436 1.830 506 HZ3 TRP 65 HZ3 TRP 65 -2.716 10.300 -1.750 507 HH2 TRP 65 HH2 TRP 65 -0.591 10.351 -0.476 508 H GLU 66 HN GLU 66 -6.292 6.746 5.205 509 HA GLU 66 HA GLU 66 -8.080 8.583 6.467 510 HB2 GLU 66 HB2 GLU 66 -6.626 8.274 8.457 511 HB3 GLU 66 HB1 GLU 66 -7.038 6.744 7.689 512 HG2 GLU 66 HG2 GLU 66 -4.764 6.397 7.859 513 HG3 GLU 66 HG1 GLU 66 -4.749 7.269 6.337 514 H LYS 67 HN LYS 67 -5.154 9.122 4.727 515 HA LYS 67 HA LYS 67 -4.346 11.532 6.129 516 HB2 LYS 67 HB2 LYS 67 -2.879 10.052 4.722 517 HB3 LYS 67 HB1 LYS 67 -3.706 10.720 3.310 518 HG2 LYS 67 HG2 LYS 67 -3.095 13.019 4.168 519 HG3 LYS 67 HG1 LYS 67 -2.081 12.220 5.370 520 HD2 LYS 67 HD2 LYS 67 -0.716 11.217 3.663 521 HD3 LYS 67 HD1 LYS 67 -1.833 11.742 2.406 522 HE2 LYS 67 HE2 LYS 67 -1.228 14.018 2.651 523 HE3 LYS 67 HE1 LYS 67 -0.471 13.729 4.217 524 HZ1 LYS 67 HZ1 LYS 67 1.135 12.265 2.986 525 HZ2 LYS 67 HZ2 LYS 67 1.268 13.928 2.668 526 HZ3 LYS 67 HZ3 LYS 67 0.506 12.904 1.546 527 H LYS 68 HN LYS 68 -5.808 11.031 2.893 528 HA LYS 68 HA LYS 68 -6.727 13.885 2.944 529 HB2 LYS 68 HB2 LYS 68 -6.591 11.956 0.604 530 HB3 LYS 68 HB1 LYS 68 -6.932 13.683 0.526 531 HG2 LYS 68 HG2 LYS 68 -4.634 14.003 1.666 532 HG3 LYS 68 HG1 LYS 68 -4.335 12.319 1.243 533 HD2 LYS 68 HD2 LYS 68 -3.463 13.374 -0.640 534 HD3 LYS 68 HD1 LYS 68 -5.121 13.110 -1.174 535 HE2 LYS 68 HE2 LYS 68 -5.609 15.453 -0.187 536 HE3 LYS 68 HE1 LYS 68 -3.859 15.661 -0.162 537 HZ1 LYS 68 HZ1 LYS 68 -5.625 15.863 -2.347 538 HZ2 LYS 68 HZ2 LYS 68 -4.517 14.610 -2.644 539 HZ3 LYS 68 HZ3 LYS 68 -3.960 16.176 -2.296 540 H ARG 69 HN ARG 69 -7.807 11.041 3.902 541 HA ARG 69 HA ARG 69 -9.917 10.007 4.044 542 HB2 ARG 69 HB2 ARG 69 -10.733 12.928 3.866 543 HB3 ARG 69 HB1 ARG 69 -11.793 11.620 4.379 544 HG2 ARG 69 HG2 ARG 69 -11.048 12.288 6.466 545 HG3 ARG 69 HG1 ARG 69 -9.762 11.145 6.086 546 HD2 ARG 69 HD2 ARG 69 -8.755 13.209 6.873 547 HD3 ARG 69 HD1 ARG 69 -8.429 13.060 5.148 548 HE ARG 69 HE ARG 69 -10.846 14.588 5.735 549 HH11 ARG 69 HH21 ARG 69 -7.418 14.590 5.373 550 HH12 ARG 69 HH22 ARG 69 -7.329 16.267 4.950 551 HH21 ARG 69 HH11 ARG 69 -10.751 16.780 5.183 552 HH22 ARG 69 HH12 ARG 69 -9.216 17.507 4.841 553 H THR 70 HN THR 70 -8.858 10.099 1.382 554 HA THR 70 HA THR 70 -11.345 10.453 -0.260 555 HB THR 70 HB THR 70 -9.378 11.971 -0.803 556 HG1 THR 70 HG1 THR 70 -11.030 11.115 -2.315 557 HG21 THR 70 HG21 THR 70 -7.399 11.058 -1.764 558 HG22 THR 70 HG22 THR 70 -8.112 9.449 -1.892 559 HG23 THR 70 HG23 THR 70 -7.692 10.104 -0.309 560 H TRP 71 HN TRP 71 -10.339 9.055 -2.494 561 HA TRP 71 HA TRP 71 -9.920 6.288 -1.452 562 HB2 TRP 71 HB2 TRP 71 -11.514 6.741 -3.948 563 HB3 TRP 71 HB1 TRP 71 -11.637 5.462 -2.758 564 HD1 TRP 71 HD1 TRP 71 -12.234 9.293 -2.817 565 HE1 TRP 71 HE1 TRP 71 -14.364 9.786 -1.453 566 HE3 TRP 71 HE3 TRP 71 -13.429 4.563 -1.304 567 HZ2 TRP 71 HZ2 TRP 71 -16.322 8.362 0.072 568 HZ3 TRP 71 HZ3 TRP 71 -15.432 4.160 0.098 569 HH2 TRP 71 HH2 TRP 71 -16.880 6.052 0.785 570 H LEU 72 HN LEU 72 -8.768 4.908 -2.919 571 HA LEU 72 HA LEU 72 -7.088 6.385 -4.915 572 HB2 LEU 72 HB2 LEU 72 -6.389 3.621 -3.959 573 HB3 LEU 72 HB1 LEU 72 -5.331 4.962 -4.400 574 HG LEU 72 HG LEU 72 -7.032 4.891 -1.900 575 HD11 LEU 72 HD11 LEU 72 -4.047 4.586 -2.094 576 HD12 LEU 72 HD12 LEU 72 -5.146 3.207 -2.033 577 HD13 LEU 72 HD13 LEU 72 -5.082 4.344 -0.689 578 HD21 LEU 72 HD21 LEU 72 -5.404 6.786 -1.313 579 HD22 LEU 72 HD22 LEU 72 -6.621 7.161 -2.531 580 HD23 LEU 72 HD23 LEU 72 -4.968 6.799 -3.020 581 H LEU 73 HN LEU 73 -7.745 6.045 -6.979 582 HA LEU 73 HA LEU 73 -9.181 3.506 -7.639 583 HB2 LEU 73 HB2 LEU 73 -9.249 6.176 -9.060 584 HB3 LEU 73 HB1 LEU 73 -10.211 4.765 -9.449 585 HG LEU 73 HG LEU 73 -11.612 6.256 -8.190 586 HD11 LEU 73 HD11 LEU 73 -11.516 3.718 -7.620 587 HD12 LEU 73 HD12 LEU 73 -12.399 4.795 -6.541 588 HD13 LEU 73 HD13 LEU 73 -10.780 4.249 -6.107 589 HD21 LEU 73 HD21 LEU 73 -10.953 7.528 -6.414 590 HD22 LEU 73 HD22 LEU 73 -9.325 7.196 -6.991 591 HD23 LEU 73 HD23 LEU 73 -10.011 6.234 -5.686 592 H LYS 74 HN LYS 74 -7.587 5.872 -9.743 593 HA LYS 74 HA LYS 74 -6.757 3.933 -11.567 594 HB2 LYS 74 HB2 LYS 74 -5.719 5.640 -12.767 595 HB3 LYS 74 HB1 LYS 74 -7.043 6.411 -11.912 596 HG2 LYS 74 HG2 LYS 74 -4.280 6.393 -10.691 597 HG3 LYS 74 HG1 LYS 74 -4.698 7.551 -11.928 598 HD2 LYS 74 HD2 LYS 74 -5.200 8.678 -9.947 599 HD3 LYS 74 HD1 LYS 74 -6.759 8.114 -10.481 600 HE2 LYS 74 HE2 LYS 74 -7.023 6.967 -8.539 601 HE3 LYS 74 HE1 LYS 74 -5.511 6.112 -8.789 602 HZ1 LYS 74 HZ1 LYS 74 -5.586 8.893 -7.805 603 HZ2 LYS 74 HZ2 LYS 74 -4.305 7.779 -7.724 604 HZ3 LYS 74 HZ3 LYS 74 -5.683 7.566 -6.753 605 H THR 75 HN THR 75 -4.798 3.088 -12.167 606 HA THR 75 HA THR 75 -2.977 2.465 -9.950 607 HB THR 75 HB THR 75 -3.340 0.605 -11.359 608 HG1 THR 75 HG1 THR 75 -1.021 1.982 -12.246 609 HG21 THR 75 HG21 THR 75 -3.199 2.645 -13.582 610 HG22 THR 75 HG22 THR 75 -4.524 1.555 -13.167 611 HG23 THR 75 HG23 THR 75 -3.058 0.917 -13.909 612 H HIS 76 HN HIS 76 -3.095 4.390 -12.862 613 HA HIS 76 HA HIS 76 -0.488 5.094 -13.415 614 HB2 HIS 76 HB2 HIS 76 -2.568 5.938 -14.553 615 HB3 HIS 76 HB1 HIS 76 -2.750 7.084 -13.222 616 HD1 HIS 76 HD1 HIS 76 0.368 6.041 -15.161 617 HD2 HIS 76 HD2 HIS 76 -1.803 9.477 -14.234 618 HE1 HIS 76 HE1 HIS 76 1.674 7.991 -16.112 619 H TRP 77 HN TRP 77 -2.160 5.809 -10.488 620 HA TRP 77 HA TRP 77 -0.024 7.760 -9.687 621 HB2 TRP 77 HB2 TRP 77 -2.925 7.497 -9.009 622 HB3 TRP 77 HB1 TRP 77 -1.843 8.169 -7.798 623 HD1 TRP 77 HD1 TRP 77 -2.697 8.712 -11.533 624 HE1 TRP 77 HE1 TRP 77 -2.500 11.232 -12.045 625 HE3 TRP 77 HE3 TRP 77 -1.094 10.414 -6.991 626 HZ2 TRP 77 HZ2 TRP 77 -1.760 13.648 -10.706 627 HZ3 TRP 77 HZ3 TRP 77 -0.651 12.826 -6.639 628 HH2 TRP 77 HH2 TRP 77 -0.981 14.444 -8.489 629 H THR 78 HN THR 78 1.107 5.592 -9.442 630 HA THR 78 HA THR 78 0.624 3.631 -7.535 631 HB THR 78 HB THR 78 3.424 4.636 -7.515 632 HG1 THR 78 HG1 THR 78 2.083 4.072 -9.939 633 HG21 THR 78 HG21 THR 78 3.767 2.355 -8.653 634 HG22 THR 78 HG22 THR 78 2.073 2.066 -8.310 635 HG23 THR 78 HG23 THR 78 3.200 2.352 -6.995 636 H LEU 79 HN LEU 79 1.622 3.480 -5.283 637 HA LEU 79 HA LEU 79 0.707 5.565 -3.605 638 HB2 LEU 79 HB2 LEU 79 3.079 4.196 -2.489 639 HB3 LEU 79 HB1 LEU 79 1.429 4.227 -1.895 640 HG LEU 79 HG LEU 79 0.867 2.557 -3.734 641 HD11 LEU 79 HD11 LEU 79 3.701 1.711 -3.780 642 HD12 LEU 79 HD12 LEU 79 3.352 3.133 -4.736 643 HD13 LEU 79 HD13 LEU 79 2.493 1.632 -5.026 644 HD21 LEU 79 HD21 LEU 79 0.895 1.458 -1.712 645 HD22 LEU 79 HD22 LEU 79 2.478 2.094 -1.261 646 HD23 LEU 79 HD23 LEU 79 2.363 0.731 -2.370 647 H ASP 80 HN ASP 80 3.996 4.831 -4.675 648 HA ASP 80 HA ASP 80 5.257 7.083 -3.557 649 HB2 ASP 80 HB2 ASP 80 6.841 5.682 -4.420 650 HB3 ASP 80 HB1 ASP 80 5.842 5.190 -5.762 651 H LYS 81 HN LYS 81 3.600 6.800 -6.727 652 HA LYS 81 HA LYS 81 4.170 9.337 -7.757 653 HB2 LYS 81 HB2 LYS 81 1.961 7.422 -8.062 654 HB3 LYS 81 HB1 LYS 81 1.413 9.072 -8.266 655 HG2 LYS 81 HG2 LYS 81 2.044 8.465 -10.429 656 HG3 LYS 81 HG1 LYS 81 3.448 9.332 -9.869 657 HD2 LYS 81 HD2 LYS 81 4.758 7.496 -10.205 658 HD3 LYS 81 HD1 LYS 81 3.763 6.556 -9.110 659 HE2 LYS 81 HE2 LYS 81 3.764 5.501 -11.311 660 HE3 LYS 81 HE1 LYS 81 2.156 6.141 -10.942 661 HZ1 LYS 81 HZ1 LYS 81 3.741 8.118 -12.195 662 HZ2 LYS 81 HZ2 LYS 81 2.261 7.455 -12.702 663 HZ3 LYS 81 HZ3 LYS 81 3.725 6.715 -13.147 664 H TYR 82 HN TYR 82 1.770 8.438 -5.350 665 HA TYR 82 HA TYR 82 0.865 11.181 -4.948 666 HB2 TYR 82 HB2 TYR 82 0.211 8.504 -3.933 667 HB3 TYR 82 HB1 TYR 82 0.209 9.689 -2.634 668 HD1 TYR 82 HD2 TYR 82 -0.959 12.022 -3.314 669 HD2 TYR 82 HD1 TYR 82 -1.791 8.208 -5.112 670 HE1 TYR 82 HE2 TYR 82 -3.171 12.855 -4.063 671 HE2 TYR 82 HE1 TYR 82 -4.002 9.044 -5.860 672 HH TYR 82 HH TYR 82 -5.057 12.370 -5.113 673 H GLY 83 HN GLY 83 3.515 9.269 -3.866 674 HA2 GLY 83 HA2 GLY 83 5.437 10.161 -2.719 675 HA3 GLY 83 HA1 GLY 83 4.451 11.518 -2.162 676 H ILE 84 HN ILE 84 3.559 8.149 -2.081 677 HA ILE 84 HA ILE 84 3.045 8.364 0.827 678 HB ILE 84 HB ILE 84 2.139 6.650 -1.436 679 HG12 ILE 84 HG12 ILE 84 0.656 7.405 1.084 680 HG13 ILE 84 HG11 ILE 84 0.859 8.539 -0.252 681 HG21 ILE 84 HG21 ILE 84 2.935 4.828 -0.187 682 HG22 ILE 84 HG22 ILE 84 1.236 4.957 0.277 683 HG23 ILE 84 HG23 ILE 84 2.489 5.568 1.351 684 HD11 ILE 84 HD11 ILE 84 -1.272 7.360 -0.497 685 HD12 ILE 84 HD12 ILE 84 -0.444 5.805 -0.410 686 HD13 ILE 84 HD13 ILE 84 -0.173 6.872 -1.787 687 H GLN 85 HN GLN 85 4.006 7.084 2.365 688 HA GLN 85 HA GLN 85 6.275 5.316 1.545 689 HB2 GLN 85 HB2 GLN 85 6.240 7.381 3.769 690 HB3 GLN 85 HB1 GLN 85 7.515 6.185 3.536 691 HG2 GLN 85 HG2 GLN 85 8.162 7.122 1.450 692 HG3 GLN 85 HG1 GLN 85 6.678 8.069 1.338 693 HE21 GLN 85 HE21 GLN 85 6.941 10.230 1.907 694 HE22 GLN 85 HE22 GLN 85 8.129 10.824 2.964 695 H ALA 86 HN ALA 86 6.915 4.661 4.277 696 HA ALA 86 HA ALA 86 4.740 2.778 4.809 697 HB1 ALA 86 HB1 ALA 86 7.527 3.175 5.677 698 HB2 ALA 86 HB2 ALA 86 6.619 1.675 5.506 699 HB3 ALA 86 HB3 ALA 86 6.477 2.624 6.982 700 H ASP 87 HN ASP 87 5.299 5.989 5.539 701 HA ASP 87 HA ASP 87 4.056 5.937 8.214 702 HB2 ASP 87 HB2 ASP 87 5.874 7.595 7.457 703 HB3 ASP 87 HB1 ASP 87 4.603 8.373 6.514 704 H ALA 88 HN ALA 88 2.974 5.389 5.303 705 HA ALA 88 HA ALA 88 0.518 7.070 5.438 706 HB1 ALA 88 HB1 ALA 88 1.875 6.735 3.286 707 HB2 ALA 88 HB2 ALA 88 0.138 6.449 3.172 708 HB3 ALA 88 HB3 ALA 88 1.251 5.085 3.278 709 H LYS 89 HN LYS 89 -1.106 6.195 6.618 710 HA LYS 89 HA LYS 89 -1.334 3.238 6.860 711 HB2 LYS 89 HB2 LYS 89 -2.413 5.598 8.397 712 HB3 LYS 89 HB1 LYS 89 -3.270 4.077 8.470 713 HG2 LYS 89 HG2 LYS 89 -1.658 4.234 10.318 714 HG3 LYS 89 HG1 LYS 89 -1.232 2.924 9.222 715 HD2 LYS 89 HD2 LYS 89 0.760 4.238 9.843 716 HD3 LYS 89 HD1 LYS 89 0.431 4.368 8.120 717 HE2 LYS 89 HE2 LYS 89 0.975 6.541 9.444 718 HE3 LYS 89 HE1 LYS 89 -0.374 6.567 8.312 719 HZ1 LYS 89 HZ1 LYS 89 -1.916 6.404 10.032 720 HZ2 LYS 89 HZ2 LYS 89 -0.761 7.495 10.633 721 HZ3 LYS 89 HZ3 LYS 89 -0.762 5.880 11.159 722 H LEU 90 HN LEU 90 -2.475 2.383 5.159 723 HA LEU 90 HA LEU 90 -4.567 3.984 3.847 724 HB2 LEU 90 HB2 LEU 90 -3.558 1.184 3.313 725 HB3 LEU 90 HB1 LEU 90 -4.692 2.071 2.299 726 HG LEU 90 HG LEU 90 -1.896 3.007 2.979 727 HD11 LEU 90 HD11 LEU 90 -2.990 1.829 0.407 728 HD12 LEU 90 HD12 LEU 90 -1.906 1.001 1.525 729 HD13 LEU 90 HD13 LEU 90 -1.350 2.429 0.651 730 HD21 LEU 90 HD21 LEU 90 -2.994 4.978 2.464 731 HD22 LEU 90 HD22 LEU 90 -4.189 4.180 1.444 732 HD23 LEU 90 HD23 LEU 90 -2.561 4.468 0.834 733 H GLN 91 HN GLN 91 -6.548 2.758 3.277 734 HA GLN 91 HA GLN 91 -7.604 1.097 5.439 735 HB2 GLN 91 HB2 GLN 91 -9.329 3.232 4.319 736 HB3 GLN 91 HB1 GLN 91 -9.515 2.335 5.795 737 HG2 GLN 91 HG2 GLN 91 -7.805 3.528 6.904 738 HG3 GLN 91 HG1 GLN 91 -7.190 4.219 5.415 739 HE21 GLN 91 HE21 GLN 91 -10.610 3.987 6.439 740 HE22 GLN 91 HE22 GLN 91 -10.877 5.661 6.456 741 H PHE 92 HN PHE 92 -9.767 0.242 4.644 742 HA PHE 92 HA PHE 92 -9.767 -0.272 1.716 743 HB2 PHE 92 HB2 PHE 92 -8.964 -2.197 3.264 744 HB3 PHE 92 HB1 PHE 92 -10.624 -2.317 3.711 745 HD1 PHE 92 HD1 PHE 92 -12.347 -3.019 2.110 746 HD2 PHE 92 HD2 PHE 92 -8.196 -2.811 1.053 747 HE1 PHE 92 HE1 PHE 92 -12.789 -4.415 0.109 748 HE2 PHE 92 HE2 PHE 92 -8.638 -4.199 -0.959 749 HZ PHE 92 HZ PHE 92 -10.928 -5.013 -1.418 750 H THR 93 HN THR 93 -11.892 -0.450 0.922 751 HA THR 93 HA THR 93 -14.136 -0.193 2.762 752 HB THR 93 HB THR 93 -13.519 2.018 3.033 753 HG1 THR 93 HG1 THR 93 -15.002 3.178 1.565 754 HG21 THR 93 HG21 THR 93 -12.956 3.457 1.018 755 HG22 THR 93 HG22 THR 93 -12.873 1.967 0.094 756 HG23 THR 93 HG23 THR 93 -11.774 2.222 1.446 757 HA PRO 94 HA PRO 94 -15.598 -2.413 -0.972 758 HB2 PRO 94 HB2 PRO 94 -18.069 -2.120 0.725 759 HB3 PRO 94 HB1 PRO 94 -17.523 -3.515 -0.232 760 HG2 PRO 94 HG2 PRO 94 -17.160 -3.492 2.375 761 HG3 PRO 94 HG1 PRO 94 -15.872 -4.079 1.304 762 HD2 PRO 94 HD2 PRO 94 -16.043 -1.489 2.797 763 HD3 PRO 94 HD1 PRO 94 -14.609 -2.461 2.394 Start of MODEL 10 1 H MET 1 HT1 MET 1 33.267 2.727 9.867 2 HA MET 1 HA MET 1 33.451 2.427 6.925 3 HB2 MET 1 HB2 MET 1 34.928 1.142 9.240 4 HB3 MET 1 HB1 MET 1 35.116 0.684 7.546 5 HG2 MET 1 HG2 MET 1 36.033 2.798 6.964 6 HG3 MET 1 HG1 MET 1 35.511 3.528 8.478 7 HE1 MET 1 HE1 MET 1 39.131 0.924 7.597 8 HE2 MET 1 HE2 MET 1 38.533 2.276 6.639 9 HE3 MET 1 HE3 MET 1 37.551 0.823 6.808 10 H ALA 2 HN ALA 2 33.745 -0.450 7.299 11 HA ALA 2 HA ALA 2 31.501 -1.532 8.722 12 HB1 ALA 2 HB1 ALA 2 30.286 -0.319 6.892 13 HB2 ALA 2 HB2 ALA 2 30.044 -2.064 6.839 14 HB3 ALA 2 HB3 ALA 2 31.164 -1.295 5.715 15 H LEU 3 HN LEU 3 31.013 -3.808 7.229 16 HA LEU 3 HA LEU 3 33.660 -5.096 7.264 17 HB2 LEU 3 HB2 LEU 3 32.029 -7.117 6.935 18 HB3 LEU 3 HB1 LEU 3 32.114 -6.332 8.486 19 HG LEU 3 HG LEU 3 30.133 -5.225 6.535 20 HD11 LEU 3 HD11 LEU 3 29.638 -7.531 6.187 21 HD12 LEU 3 HD12 LEU 3 28.457 -6.956 7.364 22 HD13 LEU 3 HD13 LEU 3 29.842 -7.908 7.898 23 HD21 LEU 3 HD21 LEU 3 29.686 -5.912 9.444 24 HD22 LEU 3 HD22 LEU 3 28.938 -4.638 8.482 25 HD23 LEU 3 HD23 LEU 3 30.615 -4.482 8.999 26 H ASP 4 HN ASP 4 31.298 -6.608 5.379 27 HA ASP 4 HA ASP 4 32.295 -5.459 2.812 28 HB2 ASP 4 HB2 ASP 4 33.796 -7.336 3.305 29 HB3 ASP 4 HB1 ASP 4 32.405 -8.396 3.538 30 H GLY 5 HN GLY 5 29.725 -6.519 4.671 31 HA2 GLY 5 HA2 GLY 5 28.049 -7.931 2.925 32 HA3 GLY 5 HA1 GLY 5 27.455 -6.774 4.120 33 H ILE 6 HN ILE 6 29.078 -4.636 2.822 34 HA ILE 6 HA ILE 6 27.217 -3.264 1.316 35 HB ILE 6 HB ILE 6 30.187 -3.325 0.739 36 HG12 ILE 6 HG12 ILE 6 28.604 -1.702 2.761 37 HG13 ILE 6 HG11 ILE 6 29.721 -3.007 3.145 38 HG21 ILE 6 HG21 ILE 6 28.086 -1.165 0.355 39 HG22 ILE 6 HG22 ILE 6 28.841 -2.101 -0.932 40 HG23 ILE 6 HG23 ILE 6 29.806 -0.981 0.020 41 HD11 ILE 6 HD11 ILE 6 30.855 -0.866 3.434 42 HD12 ILE 6 HD12 ILE 6 30.430 -0.390 1.791 43 HD13 ILE 6 HD13 ILE 6 31.556 -1.721 2.060 44 H ARG 7 HN ARG 7 28.973 -6.061 0.400 45 HA ARG 7 HA ARG 7 28.664 -5.735 -2.470 46 HB2 ARG 7 HB2 ARG 7 30.501 -7.078 -1.551 47 HB3 ARG 7 HB1 ARG 7 29.357 -8.122 -0.740 48 HG2 ARG 7 HG2 ARG 7 29.951 -9.366 -2.638 49 HG3 ARG 7 HG1 ARG 7 28.432 -8.627 -3.127 50 HD2 ARG 7 HD2 ARG 7 29.991 -8.318 -4.934 51 HD3 ARG 7 HD1 ARG 7 29.793 -6.758 -4.144 52 HE ARG 7 HE ARG 7 32.028 -8.290 -3.074 53 HH11 ARG 7 HH21 ARG 7 30.889 -6.145 -5.518 54 HH12 ARG 7 HH22 ARG 7 32.452 -5.476 -5.849 55 HH21 ARG 7 HH11 ARG 7 34.079 -7.429 -3.489 56 HH22 ARG 7 HH12 ARG 7 34.259 -6.204 -4.701 57 H MET 8 HN MET 8 27.169 -7.752 0.000 58 HA MET 8 HA MET 8 24.960 -8.445 -1.880 59 HB2 MET 8 HB2 MET 8 24.523 -9.993 0.320 60 HB3 MET 8 HB1 MET 8 25.624 -10.467 -0.965 61 HG2 MET 8 HG2 MET 8 27.519 -9.748 0.246 62 HG3 MET 8 HG1 MET 8 26.541 -8.796 1.360 63 HE1 MET 8 HE1 MET 8 25.477 -12.530 0.216 64 HE2 MET 8 HE2 MET 8 26.790 -13.354 1.053 65 HE3 MET 8 HE3 MET 8 27.160 -12.138 -0.166 66 HA PRO 9 HA PRO 9 21.906 -6.006 0.229 67 HB2 PRO 9 HB2 PRO 9 20.561 -8.528 1.170 68 HB3 PRO 9 HB1 PRO 9 19.858 -7.111 0.361 69 HG2 PRO 9 HG2 PRO 9 20.264 -9.315 -1.010 70 HG3 PRO 9 HG1 PRO 9 20.670 -7.741 -1.719 71 HD2 PRO 9 HD2 PRO 9 22.507 -9.804 -0.566 72 HD3 PRO 9 HD1 PRO 9 22.728 -8.779 -2.000 73 H ASP 10 HN ASP 10 24.117 -7.874 1.768 74 HA ASP 10 HA ASP 10 23.104 -7.605 4.513 75 HB2 ASP 10 HB2 ASP 10 25.863 -8.362 3.533 76 HB3 ASP 10 HB1 ASP 10 25.258 -8.559 5.172 77 H GLY 11 HN GLY 11 23.751 -5.386 2.487 78 HA2 GLY 11 HA2 GLY 11 24.282 -3.255 4.141 79 HA3 GLY 11 HA1 GLY 11 25.890 -3.838 3.704 80 H CYS 12 HN CYS 12 24.749 -4.842 1.106 81 HA CYS 12 HA CYS 12 25.495 -2.728 -0.592 82 HB2 CYS 12 HB2 CYS 12 25.338 -4.849 -1.608 83 HB3 CYS 12 HB1 CYS 12 23.727 -5.142 -0.969 84 HG CYS 12 HG CYS 12 24.149 -4.109 -3.652 85 H TYR 13 HN TYR 13 22.150 -3.696 -1.040 86 HA TYR 13 HA TYR 13 21.354 -0.886 -1.166 87 HB2 TYR 13 HB2 TYR 13 20.302 -3.404 -2.093 88 HB3 TYR 13 HB1 TYR 13 19.050 -2.647 -1.110 89 HD1 TYR 13 HD1 TYR 13 19.211 0.151 -1.545 90 HD2 TYR 13 HD2 TYR 13 19.945 -3.000 -4.373 91 HE1 TYR 13 HE1 TYR 13 18.661 1.693 -3.407 92 HE2 TYR 13 HE2 TYR 13 19.395 -1.456 -6.234 93 HH TYR 13 HH TYR 13 17.801 1.416 -5.827 94 H ALA 14 HN ALA 14 19.718 0.072 0.241 95 HA ALA 14 HA ALA 14 18.795 -1.275 2.618 96 HB1 ALA 14 HB1 ALA 14 20.151 -0.180 4.289 97 HB2 ALA 14 HB2 ALA 14 20.975 0.782 3.062 98 HB3 ALA 14 HB3 ALA 14 21.245 -0.958 3.146 99 H ASP 15 HN ASP 15 16.867 -0.262 2.850 100 HA ASP 15 HA ASP 15 15.256 1.336 3.083 101 HB2 ASP 15 HB2 ASP 15 17.086 2.300 4.570 102 HB3 ASP 15 HB1 ASP 15 17.493 3.338 3.214 103 H GLY 16 HN GLY 16 15.858 4.136 2.026 104 HA2 GLY 16 HA2 GLY 16 15.777 5.213 -0.056 105 HA3 GLY 16 HA1 GLY 16 16.284 3.715 -0.828 106 H THR 17 HN THR 17 14.108 2.310 0.733 107 HA THR 17 HA THR 17 11.742 3.187 -0.916 108 HB THR 17 HB THR 17 11.122 0.714 -0.852 109 HG1 THR 17 HG1 THR 17 12.706 -0.706 -0.272 110 HG21 THR 17 HG21 THR 17 12.334 1.967 -2.775 111 HG22 THR 17 HG22 THR 17 12.378 0.206 -2.779 112 HG23 THR 17 HG23 THR 17 13.776 1.121 -2.218 113 H TRP 18 HN TRP 18 9.686 1.909 0.188 114 HA TRP 18 HA TRP 18 9.994 1.818 3.120 115 HB2 TRP 18 HB2 TRP 18 7.989 3.464 3.350 116 HB3 TRP 18 HB1 TRP 18 9.606 4.111 3.145 117 HD1 TRP 18 HD1 TRP 18 9.909 5.820 1.322 118 HE1 TRP 18 HE1 TRP 18 8.509 6.669 -0.680 119 HE3 TRP 18 HE3 TRP 18 6.085 2.395 1.329 120 HZ2 TRP 18 HZ2 TRP 18 6.136 6.046 -2.031 121 HZ3 TRP 18 HZ3 TRP 18 4.286 2.569 -0.381 122 HH2 TRP 18 HH2 TRP 18 4.309 4.384 -2.042 123 H GLU 19 HN GLU 19 7.413 1.780 3.963 124 HA GLU 19 HA GLU 19 6.093 -0.291 2.287 125 HB2 GLU 19 HB2 GLU 19 5.417 -1.450 4.313 126 HB3 GLU 19 HB1 GLU 19 7.168 -1.305 4.292 127 HG2 GLU 19 HG2 GLU 19 5.279 0.514 5.812 128 HG3 GLU 19 HG1 GLU 19 6.250 -0.769 6.524 129 H LEU 20 HN LEU 20 3.863 -0.578 3.359 130 HA LEU 20 HA LEU 20 2.569 2.026 3.958 131 HB2 LEU 20 HB2 LEU 20 2.469 0.605 1.452 132 HB3 LEU 20 HB1 LEU 20 0.861 0.550 2.178 133 HG LEU 20 HG LEU 20 1.171 2.515 0.701 134 HD11 LEU 20 HD11 LEU 20 0.023 4.002 2.074 135 HD12 LEU 20 HD12 LEU 20 0.978 3.603 3.497 136 HD13 LEU 20 HD13 LEU 20 -0.245 2.475 2.912 137 HD21 LEU 20 HD21 LEU 20 3.690 2.669 1.716 138 HD22 LEU 20 HD22 LEU 20 2.911 3.935 2.646 139 HD23 LEU 20 HD23 LEU 20 2.896 3.993 0.883 140 H SER 21 HN SER 21 0.519 1.779 4.985 141 HA SER 21 HA SER 21 -0.045 -0.929 6.081 142 HB2 SER 21 HB2 SER 21 -1.031 0.575 8.034 143 HB3 SER 21 HB1 SER 21 0.679 0.181 7.971 144 HG SER 21 HG SER 21 0.200 2.326 6.450 145 H VAL 22 HN VAL 22 -1.972 -1.667 5.725 146 HA VAL 22 HA VAL 22 -4.107 0.191 4.775 147 HB VAL 22 HB VAL 22 -3.294 -2.546 3.880 148 HG11 VAL 22 HG11 VAL 22 -5.599 -2.985 2.992 149 HG12 VAL 22 HG12 VAL 22 -6.199 -1.663 3.986 150 HG13 VAL 22 HG13 VAL 22 -5.511 -3.099 4.748 151 HG21 VAL 22 HG21 VAL 22 -4.059 -1.620 1.722 152 HG22 VAL 22 HG22 VAL 22 -2.930 -0.523 2.522 153 HG23 VAL 22 HG23 VAL 22 -4.662 -0.184 2.553 154 H HIS 23 HN HIS 23 -6.183 -0.338 5.381 155 HA HIS 23 HA HIS 23 -6.574 -1.777 7.957 156 HB2 HIS 23 HB2 HIS 23 -6.418 1.026 7.672 157 HB3 HIS 23 HB1 HIS 23 -8.138 0.721 7.777 158 HD1 HIS 23 HD1 HIS 23 -8.885 -0.790 9.924 159 HD2 HIS 23 HD2 HIS 23 -5.098 0.940 10.122 160 HE1 HIS 23 HE1 HIS 23 -8.193 -0.860 12.359 161 H VAL 24 HN VAL 24 -8.282 -3.140 7.705 162 HA VAL 24 HA VAL 24 -10.172 -2.664 5.515 163 HB VAL 24 HB VAL 24 -10.430 -4.991 7.360 164 HG11 VAL 24 HG11 VAL 24 -10.413 -5.007 4.345 165 HG12 VAL 24 HG12 VAL 24 -11.839 -4.457 5.223 166 HG13 VAL 24 HG13 VAL 24 -11.243 -6.101 5.447 167 HG21 VAL 24 HG21 VAL 24 -8.654 -6.109 5.797 168 HG22 VAL 24 HG22 VAL 24 -8.092 -5.102 7.122 169 HG23 VAL 24 HG23 VAL 24 -8.125 -4.453 5.484 170 H THR 25 HN THR 25 -11.750 -1.298 5.873 171 HA THR 25 HA THR 25 -12.713 -0.771 8.571 172 HB THR 25 HB THR 25 -14.342 0.729 7.313 173 HG1 THR 25 HG1 THR 25 -12.764 -0.249 5.175 174 HG21 THR 25 HG21 THR 25 -11.365 0.994 6.828 175 HG22 THR 25 HG22 THR 25 -12.262 1.610 8.216 176 HG23 THR 25 HG23 THR 25 -12.530 2.300 6.615 177 H ASP 26 HN ASP 26 -14.467 -1.874 5.631 178 HA ASP 26 HA ASP 26 -16.823 -2.599 7.081 179 HB2 ASP 26 HB2 ASP 26 -15.832 -3.675 4.428 180 HB3 ASP 26 HB1 ASP 26 -17.483 -3.792 5.038 181 H VAL 27 HN VAL 27 -14.067 -3.839 7.886 182 HA VAL 27 HA VAL 27 -15.209 -6.524 8.445 183 HB VAL 27 HB VAL 27 -12.399 -6.234 7.403 184 HG11 VAL 27 HG11 VAL 27 -12.447 -8.607 7.253 185 HG12 VAL 27 HG12 VAL 27 -14.201 -8.658 7.424 186 HG13 VAL 27 HG13 VAL 27 -13.193 -8.239 8.809 187 HG21 VAL 27 HG21 VAL 27 -14.941 -6.888 5.890 188 HG22 VAL 27 HG22 VAL 27 -13.320 -7.167 5.257 189 HG23 VAL 27 HG23 VAL 27 -13.862 -5.525 5.597 190 H ASN 28 HN ASN 28 -12.975 -3.952 9.181 191 HA ASN 28 HA ASN 28 -12.154 -3.262 11.232 192 HB2 ASN 28 HB2 ASN 28 -14.279 -4.635 11.924 193 HB3 ASN 28 HB1 ASN 28 -13.090 -5.760 12.560 194 HD21 ASN 28 HD21 ASN 28 -12.094 -5.228 14.550 195 HD22 ASN 28 HD22 ASN 28 -12.316 -3.751 15.357 196 H ARG 29 HN ARG 29 -10.872 -5.424 9.408 197 HA ARG 29 HA ARG 29 -8.788 -6.351 11.388 198 HB2 ARG 29 HB2 ARG 29 -8.600 -7.402 8.606 199 HB3 ARG 29 HB1 ARG 29 -8.455 -8.252 10.145 200 HG2 ARG 29 HG2 ARG 29 -10.923 -8.149 10.408 201 HG3 ARG 29 HG1 ARG 29 -11.023 -7.373 8.828 202 HD2 ARG 29 HD2 ARG 29 -10.257 -9.308 7.695 203 HD3 ARG 29 HD1 ARG 29 -9.628 -10.028 9.176 204 HE ARG 29 HE ARG 29 -12.389 -10.163 8.249 205 HH11 ARG 29 HH21 ARG 29 -10.220 -10.196 10.928 206 HH12 ARG 29 HH22 ARG 29 -11.293 -11.087 11.955 207 HH21 ARG 29 HH11 ARG 29 -13.802 -11.325 9.575 208 HH22 ARG 29 HH12 ARG 29 -13.321 -11.726 11.189 209 H ASP 30 HN ASP 30 -6.545 -6.485 9.915 210 HA ASP 30 HA ASP 30 -6.354 -4.089 8.206 211 HB2 ASP 30 HB2 ASP 30 -4.148 -3.650 9.841 212 HB3 ASP 30 HB1 ASP 30 -5.665 -2.752 9.911 213 H VAL 31 HN VAL 31 -4.679 -4.157 6.815 214 HA VAL 31 HA VAL 31 -2.765 -6.425 6.951 215 HB VAL 31 HB VAL 31 -4.129 -5.669 4.355 216 HG11 VAL 31 HG11 VAL 31 -2.128 -7.106 4.299 217 HG12 VAL 31 HG12 VAL 31 -3.557 -8.013 3.803 218 HG13 VAL 31 HG13 VAL 31 -2.896 -8.226 5.424 219 HG21 VAL 31 HG21 VAL 31 -5.161 -7.582 6.469 220 HG22 VAL 31 HG22 VAL 31 -5.715 -7.581 4.795 221 HG23 VAL 31 HG23 VAL 31 -5.991 -6.170 5.814 222 H THR 32 HN THR 32 -0.839 -5.827 5.497 223 HA THR 32 HA THR 32 -0.750 -2.886 4.956 224 HB THR 32 HB THR 32 1.471 -2.799 5.903 225 HG1 THR 32 HG1 THR 32 1.544 -5.158 7.141 226 HG21 THR 32 HG21 THR 32 0.874 -2.846 8.158 227 HG22 THR 32 HG22 THR 32 -0.126 -4.284 7.957 228 HG23 THR 32 HG23 THR 32 -0.693 -2.726 7.359 229 H LEU 33 HN LEU 33 0.512 -2.228 3.270 230 HA LEU 33 HA LEU 33 1.216 -4.370 1.328 231 HB2 LEU 33 HB2 LEU 33 0.545 -1.453 1.071 232 HB3 LEU 33 HB1 LEU 33 1.463 -2.243 -0.197 233 HG LEU 33 HG LEU 33 -0.966 -2.216 -0.644 234 HD11 LEU 33 HD11 LEU 33 0.722 -4.187 -1.238 235 HD12 LEU 33 HD12 LEU 33 -0.997 -4.302 -1.598 236 HD13 LEU 33 HD13 LEU 33 -0.350 -5.101 -0.177 237 HD21 LEU 33 HD21 LEU 33 -2.552 -3.101 0.753 238 HD22 LEU 33 HD22 LEU 33 -1.387 -2.606 1.971 239 HD23 LEU 33 HD23 LEU 33 -1.453 -4.288 1.445 240 H ARG 34 HN ARG 34 3.215 -4.545 0.561 241 HA ARG 34 HA ARG 34 5.368 -2.858 1.819 242 HB2 ARG 34 HB2 ARG 34 5.440 -5.409 2.101 243 HB3 ARG 34 HB1 ARG 34 5.688 -5.486 0.368 244 HG2 ARG 34 HG2 ARG 34 7.886 -5.529 1.167 245 HG3 ARG 34 HG1 ARG 34 7.652 -3.825 0.785 246 HD2 ARG 34 HD2 ARG 34 8.711 -4.193 3.021 247 HD3 ARG 34 HD1 ARG 34 7.187 -3.323 3.113 248 HE ARG 34 HE ARG 34 6.237 -5.173 4.244 249 HH11 ARG 34 HH21 ARG 34 9.271 -5.919 2.786 250 HH12 ARG 34 HH22 ARG 34 9.429 -7.448 3.584 251 HH21 ARG 34 HH11 ARG 34 6.427 -7.161 5.298 252 HH22 ARG 34 HH12 ARG 34 7.817 -8.152 5.007 253 H VAL 35 HN VAL 35 5.296 -1.131 0.327 254 HA VAL 35 HA VAL 35 6.270 -1.761 -2.401 255 HB VAL 35 HB VAL 35 4.441 -0.395 -3.399 256 HG11 VAL 35 HG11 VAL 35 3.279 -2.685 -1.811 257 HG12 VAL 35 HG12 VAL 35 4.388 -2.933 -3.160 258 HG13 VAL 35 HG13 VAL 35 2.837 -2.148 -3.430 259 HG21 VAL 35 HG21 VAL 35 3.676 -0.158 -0.517 260 HG22 VAL 35 HG22 VAL 35 2.349 -0.400 -1.644 261 HG23 VAL 35 HG23 VAL 35 3.432 0.972 -1.841 262 H THR 36 HN THR 36 6.018 0.564 -3.656 263 HA THR 36 HA THR 36 7.168 2.682 -1.884 264 HB THR 36 HB THR 36 8.732 3.204 -3.842 265 HG1 THR 36 HG1 THR 36 8.978 0.735 -4.708 266 HG21 THR 36 HG21 THR 36 9.855 2.344 -1.993 267 HG22 THR 36 HG22 THR 36 10.218 1.120 -3.208 268 HG23 THR 36 HG23 THR 36 8.958 0.826 -2.014 269 H GLY 37 HN GLY 37 7.343 4.754 -3.339 270 HA2 GLY 37 HA2 GLY 37 4.743 5.571 -4.047 271 HA3 GLY 37 HA1 GLY 37 6.207 6.422 -4.504 272 H GLU 38 HN GLU 38 6.204 3.220 -5.602 273 HA GLU 38 HA GLU 38 5.637 4.164 -8.373 274 HB2 GLU 38 HB2 GLU 38 7.122 2.424 -9.077 275 HB3 GLU 38 HB1 GLU 38 7.864 3.189 -7.676 276 HG2 GLU 38 HG2 GLU 38 8.096 0.954 -7.078 277 HG3 GLU 38 HG1 GLU 38 6.554 1.344 -6.314 278 H VAL 39 HN VAL 39 4.331 2.044 -5.948 279 HA VAL 39 HA VAL 39 3.182 0.148 -7.806 280 HB VAL 39 HB VAL 39 3.482 -0.502 -5.511 281 HG11 VAL 39 HG11 VAL 39 2.059 0.540 -3.733 282 HG12 VAL 39 HG12 VAL 39 1.602 1.783 -4.885 283 HG13 VAL 39 HG13 VAL 39 3.278 1.606 -4.398 284 HG21 VAL 39 HG21 VAL 39 1.564 -1.477 -6.742 285 HG22 VAL 39 HG22 VAL 39 0.519 -0.216 -6.092 286 HG23 VAL 39 HG23 VAL 39 1.270 -1.385 -5.009 287 H HIS 40 HN HIS 40 1.348 0.261 -8.952 288 HA HIS 40 HA HIS 40 -0.053 2.765 -9.215 289 HB2 HIS 40 HB2 HIS 40 -0.541 -0.033 -10.229 290 HB3 HIS 40 HB1 HIS 40 -1.691 1.263 -10.533 291 HD1 HIS 40 HD1 HIS 40 -0.851 0.674 -13.112 292 HD2 HIS 40 HD2 HIS 40 1.830 2.701 -10.647 293 HE1 HIS 40 HE1 HIS 40 0.874 1.722 -14.641 294 H ILE 41 HN ILE 41 -2.139 3.323 -8.390 295 HA ILE 41 HA ILE 41 -2.881 2.223 -5.877 296 HB ILE 41 HB ILE 41 -4.785 3.471 -7.866 297 HG12 ILE 41 HG12 ILE 41 -2.902 4.780 -5.882 298 HG13 ILE 41 HG11 ILE 41 -2.757 4.850 -7.633 299 HG21 ILE 41 HG21 ILE 41 -4.796 3.719 -4.855 300 HG22 ILE 41 HG22 ILE 41 -5.566 2.346 -5.650 301 HG23 ILE 41 HG23 ILE 41 -6.123 3.981 -5.989 302 HD11 ILE 41 HD11 ILE 41 -5.417 5.694 -6.849 303 HD12 ILE 41 HD12 ILE 41 -4.178 6.573 -7.728 304 HD13 ILE 41 HD13 ILE 41 -4.200 6.614 -5.970 305 H GLY 42 HN GLY 42 -4.169 1.749 -9.128 306 HA2 GLY 42 HA2 GLY 42 -5.922 -0.422 -8.512 307 HA3 GLY 42 HA1 GLY 42 -5.217 -0.089 -10.106 308 H GLY 43 HN GLY 43 -2.612 -0.165 -8.166 309 HA2 GLY 43 HA2 GLY 43 -2.111 -3.077 -8.661 310 HA3 GLY 43 HA1 GLY 43 -0.855 -1.836 -8.571 311 H VAL 44 HN VAL 44 -2.151 -0.482 -6.329 312 HA VAL 44 HA VAL 44 -0.872 -1.787 -4.146 313 HB VAL 44 HB VAL 44 -2.883 0.394 -4.546 314 HG11 VAL 44 HG11 VAL 44 -2.933 0.686 -1.986 315 HG12 VAL 44 HG12 VAL 44 -2.419 -0.997 -1.922 316 HG13 VAL 44 HG13 VAL 44 -3.947 -0.576 -2.683 317 HG21 VAL 44 HG21 VAL 44 -0.182 0.174 -3.203 318 HG22 VAL 44 HG22 VAL 44 -1.197 1.602 -3.026 319 HG23 VAL 44 HG23 VAL 44 -0.627 1.125 -4.619 320 H MET 45 HN MET 45 -4.160 -1.837 -5.428 321 HA MET 45 HA MET 45 -5.280 -3.521 -3.398 322 HB2 MET 45 HB2 MET 45 -6.532 -3.957 -6.004 323 HB3 MET 45 HB1 MET 45 -7.190 -3.166 -4.579 324 HG2 MET 45 HG2 MET 45 -6.006 -1.076 -5.219 325 HG3 MET 45 HG1 MET 45 -5.433 -1.877 -6.679 326 HE1 MET 45 HE1 MET 45 -8.423 -0.066 -4.939 327 HE2 MET 45 HE2 MET 45 -8.963 0.618 -6.470 328 HE3 MET 45 HE3 MET 45 -7.271 0.754 -6.001 329 H LEU 46 HN LEU 46 -3.826 -4.229 -6.569 330 HA LEU 46 HA LEU 46 -4.173 -7.060 -6.372 331 HB2 LEU 46 HB2 LEU 46 -1.897 -5.633 -7.771 332 HB3 LEU 46 HB1 LEU 46 -2.534 -7.234 -8.142 333 HG LEU 46 HG LEU 46 -4.138 -4.673 -8.352 334 HD11 LEU 46 HD11 LEU 46 -3.742 -4.680 -10.690 335 HD12 LEU 46 HD12 LEU 46 -3.088 -6.317 -10.661 336 HD13 LEU 46 HD13 LEU 46 -2.155 -4.984 -9.986 337 HD21 LEU 46 HD21 LEU 46 -4.664 -7.575 -9.029 338 HD22 LEU 46 HD22 LEU 46 -5.567 -6.275 -9.805 339 HD23 LEU 46 HD23 LEU 46 -5.647 -6.480 -8.058 340 H LYS 47 HN LYS 47 -1.238 -5.105 -5.762 341 HA LYS 47 HA LYS 47 0.308 -7.149 -4.678 342 HB2 LYS 47 HB2 LYS 47 0.974 -4.713 -5.045 343 HB3 LYS 47 HB1 LYS 47 0.201 -4.356 -3.517 344 HG2 LYS 47 HG2 LYS 47 2.397 -4.740 -2.822 345 HG3 LYS 47 HG1 LYS 47 1.662 -6.328 -2.603 346 HD2 LYS 47 HD2 LYS 47 3.569 -6.935 -3.805 347 HD3 LYS 47 HD1 LYS 47 2.450 -6.671 -5.139 348 HE2 LYS 47 HE2 LYS 47 4.178 -5.352 -5.899 349 HE3 LYS 47 HE1 LYS 47 3.391 -4.150 -4.876 350 HZ1 LYS 47 HZ1 LYS 47 5.777 -5.793 -4.301 351 HZ2 LYS 47 HZ2 LYS 47 4.870 -5.105 -3.041 352 HZ3 LYS 47 HZ3 LYS 47 5.601 -4.109 -4.208 353 H LEU 48 HN LEU 48 -2.442 -5.510 -3.343 354 HA LEU 48 HA LEU 48 -2.098 -6.705 -0.682 355 HB2 LEU 48 HB2 LEU 48 -3.116 -4.553 -0.725 356 HB3 LEU 48 HB1 LEU 48 -4.249 -5.020 -1.955 357 HG LEU 48 HG LEU 48 -5.428 -6.462 -0.445 358 HD11 LEU 48 HD11 LEU 48 -4.602 -6.526 2.003 359 HD12 LEU 48 HD12 LEU 48 -3.071 -5.930 1.371 360 HD13 LEU 48 HD13 LEU 48 -3.694 -7.481 0.838 361 HD21 LEU 48 HD21 LEU 48 -6.201 -4.856 1.197 362 HD22 LEU 48 HD22 LEU 48 -5.832 -3.989 -0.295 363 HD23 LEU 48 HD23 LEU 48 -4.703 -3.935 1.060 364 H VAL 49 HN VAL 49 -4.569 -6.933 -3.287 365 HA VAL 49 HA VAL 49 -5.921 -9.176 -2.184 366 HB VAL 49 HB VAL 49 -5.514 -8.501 -5.118 367 HG11 VAL 49 HG11 VAL 49 -6.366 -10.685 -5.121 368 HG12 VAL 49 HG12 VAL 49 -7.840 -9.719 -5.172 369 HG13 VAL 49 HG13 VAL 49 -7.307 -10.431 -3.651 370 HG21 VAL 49 HG21 VAL 49 -7.991 -7.864 -3.516 371 HG22 VAL 49 HG22 VAL 49 -7.396 -7.099 -4.989 372 HG23 VAL 49 HG23 VAL 49 -6.608 -6.770 -3.442 373 H GLU 50 HN GLU 50 -3.079 -8.919 -4.257 374 HA GLU 50 HA GLU 50 -2.696 -11.716 -4.678 375 HB2 GLU 50 HB2 GLU 50 -0.740 -9.404 -4.590 376 HB3 GLU 50 HB1 GLU 50 -0.296 -11.043 -5.071 377 HG2 GLU 50 HG2 GLU 50 -1.885 -11.003 -6.890 378 HG3 GLU 50 HG1 GLU 50 -2.522 -9.458 -6.365 379 H LYS 51 HN LYS 51 -1.494 -9.466 -2.148 380 HA LYS 51 HA LYS 51 0.055 -11.372 -0.726 381 HB2 LYS 51 HB2 LYS 51 -1.249 -8.768 -0.129 382 HB3 LYS 51 HB1 LYS 51 -0.887 -9.760 1.271 383 HG2 LYS 51 HG2 LYS 51 1.472 -9.958 0.500 384 HG3 LYS 51 HG1 LYS 51 1.088 -8.930 -0.876 385 HD2 LYS 51 HD2 LYS 51 2.139 -7.616 0.919 386 HD3 LYS 51 HD1 LYS 51 0.480 -7.095 0.645 387 HE2 LYS 51 HE2 LYS 51 1.352 -7.523 3.110 388 HE3 LYS 51 HE1 LYS 51 -0.283 -7.994 2.653 389 HZ1 LYS 51 HZ1 LYS 51 0.268 -10.195 2.594 390 HZ2 LYS 51 HZ2 LYS 51 1.306 -9.668 3.831 391 HZ3 LYS 51 HZ3 LYS 51 1.905 -9.907 2.259 392 H LEU 52 HN LEU 52 -3.369 -10.391 -0.160 393 HA LEU 52 HA LEU 52 -3.978 -12.279 1.837 394 HB2 LEU 52 HB2 LEU 52 -5.793 -11.475 -0.457 395 HB3 LEU 52 HB1 LEU 52 -6.307 -12.118 1.101 396 HG LEU 52 HG LEU 52 -4.751 -9.543 0.747 397 HD11 LEU 52 HD11 LEU 52 -7.111 -9.558 -0.206 398 HD12 LEU 52 HD12 LEU 52 -6.809 -8.360 1.051 399 HD13 LEU 52 HD13 LEU 52 -7.680 -9.843 1.438 400 HD21 LEU 52 HD21 LEU 52 -5.946 -10.995 3.109 401 HD22 LEU 52 HD22 LEU 52 -5.754 -9.243 3.149 402 HD23 LEU 52 HD23 LEU 52 -4.344 -10.277 2.947 403 H ASP 53 HN ASP 53 -5.609 -14.220 1.281 404 HA ASP 53 HA ASP 53 -4.272 -15.908 -0.819 405 HB2 ASP 53 HB2 ASP 53 -5.486 -16.658 1.854 406 HB3 ASP 53 HB1 ASP 53 -5.004 -17.837 0.633 407 H VAL 54 HN VAL 54 -6.085 -14.690 -2.122 408 HA VAL 54 HA VAL 54 -8.168 -16.601 -2.655 409 HB VAL 54 HB VAL 54 -9.165 -15.672 -0.615 410 HG11 VAL 54 HG11 VAL 54 -7.972 -13.482 -0.721 411 HG12 VAL 54 HG12 VAL 54 -9.705 -13.295 -0.453 412 HG13 VAL 54 HG13 VAL 54 -9.023 -13.006 -2.054 413 HG21 VAL 54 HG21 VAL 54 -10.623 -14.457 -2.970 414 HG22 VAL 54 HG22 VAL 54 -11.311 -15.182 -1.517 415 HG23 VAL 54 HG23 VAL 54 -10.540 -16.202 -2.730 416 H LYS 55 HN LYS 55 -9.281 -16.087 -4.597 417 HA LYS 55 HA LYS 55 -7.968 -13.989 -6.217 418 HB2 LYS 55 HB2 LYS 55 -10.135 -15.894 -7.124 419 HB3 LYS 55 HB1 LYS 55 -8.922 -15.076 -8.108 420 HG2 LYS 55 HG2 LYS 55 -7.143 -16.392 -7.025 421 HG3 LYS 55 HG1 LYS 55 -8.348 -17.206 -6.026 422 HD2 LYS 55 HD2 LYS 55 -9.430 -18.119 -8.026 423 HD3 LYS 55 HD1 LYS 55 -8.278 -17.269 -9.056 424 HE2 LYS 55 HE2 LYS 55 -7.536 -19.566 -8.819 425 HE3 LYS 55 HE1 LYS 55 -6.426 -18.528 -7.923 426 HZ1 LYS 55 HZ1 LYS 55 -7.907 -19.005 -5.940 427 HZ2 LYS 55 HZ2 LYS 55 -6.922 -20.278 -6.482 428 HZ3 LYS 55 HZ3 LYS 55 -8.577 -20.259 -6.864 429 H LYS 56 HN LYS 56 -9.252 -12.483 -4.539 430 HA LYS 56 HA LYS 56 -12.072 -12.107 -5.208 431 HB2 LYS 56 HB2 LYS 56 -10.482 -11.437 -3.031 432 HB3 LYS 56 HB1 LYS 56 -10.718 -9.881 -3.809 433 HG2 LYS 56 HG2 LYS 56 -12.577 -10.031 -2.368 434 HG3 LYS 56 HG1 LYS 56 -13.235 -10.561 -3.912 435 HD2 LYS 56 HD2 LYS 56 -13.999 -12.271 -2.527 436 HD3 LYS 56 HD1 LYS 56 -12.462 -12.959 -3.055 437 HE2 LYS 56 HE2 LYS 56 -12.359 -13.244 -0.729 438 HE3 LYS 56 HE1 LYS 56 -11.491 -11.724 -0.948 439 HZ1 LYS 56 HZ1 LYS 56 -13.925 -10.778 -0.711 440 HZ2 LYS 56 HZ2 LYS 56 -12.955 -11.097 0.646 441 HZ3 LYS 56 HZ3 LYS 56 -14.147 -12.210 0.170 442 H ASP 57 HN ASP 57 -12.590 -9.596 -5.590 443 HA ASP 57 HA ASP 57 -11.520 -9.082 -8.272 444 HB2 ASP 57 HB2 ASP 57 -13.480 -7.343 -6.812 445 HB3 ASP 57 HB1 ASP 57 -13.367 -7.672 -8.541 446 H TRP 58 HN TRP 58 -10.630 -7.095 -8.930 447 HA TRP 58 HA TRP 58 -9.002 -5.720 -6.905 448 HB2 TRP 58 HB2 TRP 58 -8.847 -4.680 -9.662 449 HB3 TRP 58 HB1 TRP 58 -7.585 -5.347 -8.670 450 HD1 TRP 58 HD1 TRP 58 -9.201 -5.943 -11.783 451 HE1 TRP 58 HE1 TRP 58 -9.035 -8.399 -12.540 452 HE3 TRP 58 HE3 TRP 58 -7.783 -8.137 -7.387 453 HZ2 TRP 58 HZ2 TRP 58 -8.390 -10.951 -11.439 454 HZ3 TRP 58 HZ3 TRP 58 -7.400 -10.585 -7.280 455 HH2 TRP 58 HH2 TRP 58 -7.702 -11.991 -9.295 456 H SER 59 HN SER 59 -10.614 -4.395 -9.726 457 HA SER 59 HA SER 59 -11.138 -1.833 -8.888 458 HB2 SER 59 HB2 SER 59 -12.959 -1.753 -10.485 459 HB3 SER 59 HB1 SER 59 -11.682 -2.775 -11.139 460 HG SER 59 HG SER 59 -13.444 -4.002 -11.377 461 H ASP 60 HN ASP 60 -13.536 -4.507 -8.409 462 HA ASP 60 HA ASP 60 -15.437 -3.010 -7.020 463 HB2 ASP 60 HB2 ASP 60 -15.313 -5.609 -7.635 464 HB3 ASP 60 HB1 ASP 60 -14.813 -5.741 -5.954 465 H HIS 61 HN HIS 61 -12.444 -4.460 -5.728 466 HA HIS 61 HA HIS 61 -12.971 -3.656 -3.007 467 HB2 HIS 61 HB2 HIS 61 -10.418 -4.352 -4.477 468 HB3 HIS 61 HB1 HIS 61 -10.448 -3.924 -2.775 469 HD1 HIS 61 HD1 HIS 61 -9.619 -6.426 -2.338 470 HD2 HIS 61 HD2 HIS 61 -13.485 -6.046 -3.848 471 HE1 HIS 61 HE1 HIS 61 -10.786 -8.619 -1.866 472 H ALA 62 HN ALA 62 -11.641 -1.966 -1.897 473 HA ALA 62 HA ALA 62 -10.511 0.172 -3.552 474 HB1 ALA 62 HB1 ALA 62 -12.165 1.873 -2.607 475 HB2 ALA 62 HB2 ALA 62 -13.176 0.499 -2.160 476 HB3 ALA 62 HB3 ALA 62 -12.799 0.802 -3.857 477 H LEU 63 HN LEU 63 -9.369 1.725 -2.259 478 HA LEU 63 HA LEU 63 -8.983 0.862 0.557 479 HB2 LEU 63 HB2 LEU 63 -7.258 2.689 -1.109 480 HB3 LEU 63 HB1 LEU 63 -6.857 2.013 0.462 481 HG LEU 63 HG LEU 63 -5.694 0.724 -1.169 482 HD11 LEU 63 HD11 LEU 63 -8.094 -0.980 -0.548 483 HD12 LEU 63 HD12 LEU 63 -6.973 -0.461 0.711 484 HD13 LEU 63 HD13 LEU 63 -6.399 -1.456 -0.625 485 HD21 LEU 63 HD21 LEU 63 -7.556 1.407 -3.000 486 HD22 LEU 63 HD22 LEU 63 -8.135 -0.215 -2.621 487 HD23 LEU 63 HD23 LEU 63 -6.491 0.017 -3.214 488 H TRP 64 HN TRP 64 -9.962 2.100 2.113 489 HA TRP 64 HA TRP 64 -10.910 4.782 1.324 490 HB2 TRP 64 HB2 TRP 64 -11.878 2.885 3.111 491 HB3 TRP 64 HB1 TRP 64 -11.100 4.019 4.195 492 HD1 TRP 64 HD1 TRP 64 -11.702 6.677 2.537 493 HE1 TRP 64 HE1 TRP 64 -14.102 7.616 2.517 494 HE3 TRP 64 HE3 TRP 64 -14.305 2.472 3.812 495 HZ2 TRP 64 HZ2 TRP 64 -16.773 6.705 2.981 496 HZ3 TRP 64 HZ3 TRP 64 -16.774 2.536 4.015 497 HH2 TRP 64 HH2 TRP 64 -18.010 4.646 3.602 498 H TRP 65 HN TRP 65 -9.806 6.593 1.716 499 HA TRP 65 HA TRP 65 -7.150 6.445 2.986 500 HB2 TRP 65 HB2 TRP 65 -7.878 7.575 0.773 501 HB3 TRP 65 HB1 TRP 65 -8.469 8.871 1.788 502 HD1 TRP 65 HD1 TRP 65 -6.442 9.649 -0.205 503 HE1 TRP 65 HE1 TRP 65 -4.065 10.403 0.385 504 HE3 TRP 65 HE3 TRP 65 -5.862 7.474 4.438 505 HZ2 TRP 65 HZ2 TRP 65 -2.187 10.152 2.474 506 HZ3 TRP 65 HZ3 TRP 65 -3.756 7.768 5.669 507 HH2 TRP 65 HH2 TRP 65 -1.919 9.109 4.695 508 H GLU 66 HN GLU 66 -7.473 6.499 5.251 509 HA GLU 66 HA GLU 66 -9.461 7.911 6.661 510 HB2 GLU 66 HB2 GLU 66 -7.760 7.870 8.577 511 HB3 GLU 66 HB1 GLU 66 -8.187 6.311 7.871 512 HG2 GLU 66 HG2 GLU 66 -6.179 6.357 6.479 513 HG3 GLU 66 HG1 GLU 66 -5.759 7.952 7.098 514 H LYS 67 HN LYS 67 -6.424 9.115 5.281 515 HA LYS 67 HA LYS 67 -6.124 11.489 6.764 516 HB2 LYS 67 HB2 LYS 67 -4.533 10.687 5.096 517 HB3 LYS 67 HB1 LYS 67 -5.671 11.111 3.814 518 HG2 LYS 67 HG2 LYS 67 -5.566 13.427 4.389 519 HG3 LYS 67 HG1 LYS 67 -4.663 13.089 5.863 520 HD2 LYS 67 HD2 LYS 67 -2.762 12.295 4.594 521 HD3 LYS 67 HD1 LYS 67 -3.671 12.439 3.096 522 HE2 LYS 67 HE2 LYS 67 -2.490 14.443 3.028 523 HE3 LYS 67 HE1 LYS 67 -3.918 14.979 3.915 524 HZ1 LYS 67 HZ1 LYS 67 -1.333 15.138 4.771 525 HZ2 LYS 67 HZ2 LYS 67 -1.956 13.811 5.629 526 HZ3 LYS 67 HZ3 LYS 67 -2.718 15.326 5.732 527 H LYS 68 HN LYS 68 -7.953 11.166 3.677 528 HA LYS 68 HA LYS 68 -9.515 13.616 4.478 529 HB2 LYS 68 HB2 LYS 68 -9.111 12.781 1.603 530 HB3 LYS 68 HB1 LYS 68 -9.541 14.364 2.253 531 HG2 LYS 68 HG2 LYS 68 -7.271 14.529 3.264 532 HG3 LYS 68 HG1 LYS 68 -6.862 12.982 2.529 533 HD2 LYS 68 HD2 LYS 68 -6.028 14.812 1.129 534 HD3 LYS 68 HD1 LYS 68 -7.295 13.927 0.284 535 HE2 LYS 68 HE2 LYS 68 -7.324 16.580 0.348 536 HE3 LYS 68 HE1 LYS 68 -8.828 15.672 0.470 537 HZ1 LYS 68 HZ1 LYS 68 -8.626 15.807 2.900 538 HZ2 LYS 68 HZ2 LYS 68 -8.743 17.340 2.176 539 HZ3 LYS 68 HZ3 LYS 68 -7.240 16.769 2.727 540 H ARG 69 HN ARG 69 -9.680 10.383 4.195 541 HA ARG 69 HA ARG 69 -11.467 8.878 4.009 542 HB2 ARG 69 HB2 ARG 69 -13.369 11.232 3.971 543 HB3 ARG 69 HB1 ARG 69 -13.637 9.614 4.612 544 HG2 ARG 69 HG2 ARG 69 -11.915 11.806 5.784 545 HG3 ARG 69 HG1 ARG 69 -13.320 11.030 6.508 546 HD2 ARG 69 HD2 ARG 69 -11.976 8.841 6.364 547 HD3 ARG 69 HD1 ARG 69 -10.575 9.866 6.061 548 HE ARG 69 HE ARG 69 -11.834 9.468 8.624 549 HH11 ARG 69 HH21 ARG 69 -10.307 11.782 6.568 550 HH12 ARG 69 HH22 ARG 69 -9.755 12.774 7.875 551 HH21 ARG 69 HH11 ARG 69 -11.116 10.748 10.340 552 HH22 ARG 69 HH12 ARG 69 -10.213 12.189 10.011 553 H THR 70 HN THR 70 -10.429 8.852 1.747 554 HA THR 70 HA THR 70 -12.580 9.297 -0.243 555 HB THR 70 HB THR 70 -10.695 11.190 -0.019 556 HG1 THR 70 HG1 THR 70 -12.254 11.398 -1.515 557 HG21 THR 70 HG21 THR 70 -9.464 9.351 -2.088 558 HG22 THR 70 HG22 THR 70 -8.882 9.433 -0.427 559 HG23 THR 70 HG23 THR 70 -8.812 10.863 -1.454 560 H TRP 71 HN TRP 71 -12.608 7.688 -1.783 561 HA TRP 71 HA TRP 71 -10.923 5.367 -1.288 562 HB2 TRP 71 HB2 TRP 71 -12.679 5.588 -3.705 563 HB3 TRP 71 HB1 TRP 71 -12.374 4.199 -2.673 564 HD1 TRP 71 HD1 TRP 71 -13.836 3.895 -0.530 565 HE1 TRP 71 HE1 TRP 71 -15.961 5.069 0.337 566 HE3 TRP 71 HE3 TRP 71 -13.930 7.950 -3.632 567 HZ2 TRP 71 HZ2 TRP 71 -17.497 7.418 -0.214 568 HZ3 TRP 71 HZ3 TRP 71 -15.733 9.639 -3.439 569 HH2 TRP 71 HH2 TRP 71 -17.515 9.379 -1.737 570 H LEU 72 HN LEU 72 -9.442 4.475 -2.757 571 HA LEU 72 HA LEU 72 -8.279 6.399 -4.736 572 HB2 LEU 72 HB2 LEU 72 -6.838 3.939 -3.758 573 HB3 LEU 72 HB1 LEU 72 -6.179 5.494 -4.268 574 HG LEU 72 HG LEU 72 -7.753 5.047 -1.724 575 HD11 LEU 72 HD11 LEU 72 -5.693 5.136 -0.563 576 HD12 LEU 72 HD12 LEU 72 -4.807 5.588 -2.018 577 HD13 LEU 72 HD13 LEU 72 -5.476 3.964 -1.858 578 HD21 LEU 72 HD21 LEU 72 -6.335 7.421 -2.953 579 HD22 LEU 72 HD22 LEU 72 -6.733 7.346 -1.239 580 HD23 LEU 72 HD23 LEU 72 -8.020 7.314 -2.444 581 H LEU 73 HN LEU 73 -9.390 5.883 -6.612 582 HA LEU 73 HA LEU 73 -9.729 3.028 -7.334 583 HB2 LEU 73 HB2 LEU 73 -10.838 5.332 -8.908 584 HB3 LEU 73 HB1 LEU 73 -11.497 3.716 -8.682 585 HG LEU 73 HG LEU 73 -11.352 5.893 -6.573 586 HD11 LEU 73 HD11 LEU 73 -13.670 4.654 -8.073 587 HD12 LEU 73 HD12 LEU 73 -13.060 6.300 -8.252 588 HD13 LEU 73 HD13 LEU 73 -13.821 5.802 -6.742 589 HD21 LEU 73 HD21 LEU 73 -11.209 3.971 -5.260 590 HD22 LEU 73 HD22 LEU 73 -12.027 2.961 -6.452 591 HD23 LEU 73 HD23 LEU 73 -12.957 4.070 -5.447 592 H LYS 74 HN LYS 74 -8.813 6.010 -9.118 593 HA LYS 74 HA LYS 74 -7.745 4.505 -11.264 594 HB2 LYS 74 HB2 LYS 74 -7.260 6.515 -12.318 595 HB3 LYS 74 HB1 LYS 74 -8.644 6.873 -11.301 596 HG2 LYS 74 HG2 LYS 74 -5.861 7.382 -10.241 597 HG3 LYS 74 HG1 LYS 74 -6.596 8.511 -11.349 598 HD2 LYS 74 HD2 LYS 74 -7.185 9.338 -9.246 599 HD3 LYS 74 HD1 LYS 74 -8.627 8.514 -9.768 600 HE2 LYS 74 HE2 LYS 74 -8.543 7.184 -7.930 601 HE3 LYS 74 HE1 LYS 74 -6.915 6.672 -8.330 602 HZ1 LYS 74 HZ1 LYS 74 -6.833 7.736 -6.241 603 HZ2 LYS 74 HZ2 LYS 74 -7.715 9.073 -6.805 604 HZ3 LYS 74 HZ3 LYS 74 -6.132 8.803 -7.358 605 H THR 75 HN THR 75 -5.683 4.162 -11.982 606 HA THR 75 HA THR 75 -3.659 3.832 -9.883 607 HB THR 75 HB THR 75 -3.689 2.039 -11.427 608 HG1 THR 75 HG1 THR 75 -1.767 2.721 -12.885 609 HG21 THR 75 HG21 THR 75 -4.027 4.226 -13.483 610 HG22 THR 75 HG22 THR 75 -5.081 2.850 -13.150 611 HG23 THR 75 HG23 THR 75 -3.529 2.598 -13.947 612 H HIS 76 HN HIS 76 -4.381 5.923 -12.576 613 HA HIS 76 HA HIS 76 -2.000 7.211 -13.164 614 HB2 HIS 76 HB2 HIS 76 -4.227 7.662 -14.203 615 HB3 HIS 76 HB1 HIS 76 -4.657 8.590 -12.763 616 HD1 HIS 76 HD1 HIS 76 -3.156 10.747 -12.268 617 HD2 HIS 76 HD2 HIS 76 -2.626 9.043 -16.036 618 HE1 HIS 76 HE1 HIS 76 -1.936 12.469 -13.669 619 H TRP 77 HN TRP 77 -3.639 7.308 -10.143 620 HA TRP 77 HA TRP 77 -1.967 9.638 -9.249 621 HB2 TRP 77 HB2 TRP 77 -4.699 8.666 -8.507 622 HB3 TRP 77 HB1 TRP 77 -3.740 9.479 -7.279 623 HD1 TRP 77 HD1 TRP 77 -4.373 10.173 -11.043 624 HE1 TRP 77 HE1 TRP 77 -4.956 12.670 -11.307 625 HE3 TRP 77 HE3 TRP 77 -4.164 11.650 -6.158 626 HZ2 TRP 77 HZ2 TRP 77 -5.291 14.987 -9.664 627 HZ3 TRP 77 HZ3 TRP 77 -4.619 14.005 -5.536 628 HH2 TRP 77 HH2 TRP 77 -5.181 15.675 -7.282 629 H THR 78 HN THR 78 -0.395 7.719 -9.246 630 HA THR 78 HA THR 78 -0.346 5.604 -7.446 631 HB THR 78 HB THR 78 2.207 7.106 -7.492 632 HG1 THR 78 HG1 THR 78 1.546 6.331 -10.026 633 HG21 THR 78 HG21 THR 78 2.628 4.835 -7.315 634 HG22 THR 78 HG22 THR 78 2.739 5.026 -9.056 635 HG23 THR 78 HG23 THR 78 1.272 4.395 -8.343 636 H LEU 79 HN LEU 79 0.700 5.497 -5.282 637 HA LEU 79 HA LEU 79 -0.404 7.232 -3.370 638 HB2 LEU 79 HB2 LEU 79 2.296 6.305 -2.577 639 HB3 LEU 79 HB1 LEU 79 0.740 5.957 -1.844 640 HG LEU 79 HG LEU 79 0.319 4.325 -3.722 641 HD11 LEU 79 HD11 LEU 79 2.600 5.514 -4.867 642 HD12 LEU 79 HD12 LEU 79 1.777 4.062 -5.400 643 HD13 LEU 79 HD13 LEU 79 3.146 3.933 -4.331 644 HD21 LEU 79 HD21 LEU 79 2.076 4.070 -1.403 645 HD22 LEU 79 HD22 LEU 79 2.568 2.954 -2.673 646 HD23 LEU 79 HD23 LEU 79 0.917 2.915 -2.058 647 H ASP 80 HN ASP 80 2.857 7.287 -4.733 648 HA ASP 80 HA ASP 80 3.723 9.670 -3.507 649 HB2 ASP 80 HB2 ASP 80 5.492 8.682 -4.558 650 HB3 ASP 80 HB1 ASP 80 4.514 8.056 -5.859 651 H LYS 81 HN LYS 81 1.958 9.256 -6.610 652 HA LYS 81 HA LYS 81 1.908 11.933 -7.444 653 HB2 LYS 81 HB2 LYS 81 0.144 9.609 -7.818 654 HB3 LYS 81 HB1 LYS 81 -0.747 11.114 -7.867 655 HG2 LYS 81 HG2 LYS 81 -0.122 10.774 -10.093 656 HG3 LYS 81 HG1 LYS 81 1.069 11.918 -9.529 657 HD2 LYS 81 HD2 LYS 81 2.755 10.466 -10.031 658 HD3 LYS 81 HD1 LYS 81 2.058 9.251 -8.976 659 HE2 LYS 81 HE2 LYS 81 2.182 8.336 -11.220 660 HE3 LYS 81 HE1 LYS 81 0.485 8.622 -10.807 661 HZ1 LYS 81 HZ1 LYS 81 1.682 10.924 -11.974 662 HZ2 LYS 81 HZ2 LYS 81 0.294 10.071 -12.456 663 HZ3 LYS 81 HZ3 LYS 81 1.827 9.583 -13.002 664 H TYR 82 HN TYR 82 -0.112 10.334 -5.047 665 HA TYR 82 HA TYR 82 -1.602 12.728 -4.355 666 HB2 TYR 82 HB2 TYR 82 -1.495 9.919 -3.520 667 HB3 TYR 82 HB1 TYR 82 -1.652 10.973 -2.121 668 HD1 TYR 82 HD1 TYR 82 -3.350 13.094 -2.724 669 HD2 TYR 82 HD2 TYR 82 -3.538 9.107 -4.320 670 HE1 TYR 82 HE1 TYR 82 -5.764 13.398 -3.205 671 HE2 TYR 82 HE2 TYR 82 -5.951 9.414 -4.801 672 HH TYR 82 HH TYR 82 -7.720 10.743 -4.548 673 H GLY 83 HN GLY 83 1.528 11.515 -3.619 674 HA2 GLY 83 HA2 GLY 83 3.258 12.747 -2.505 675 HA3 GLY 83 HA1 GLY 83 2.030 13.829 -1.836 676 H ILE 84 HN ILE 84 1.832 10.360 -1.844 677 HA ILE 84 HA ILE 84 1.547 10.372 1.105 678 HB ILE 84 HB ILE 84 0.703 8.660 -1.159 679 HG12 ILE 84 HG12 ILE 84 -0.478 8.819 1.614 680 HG13 ILE 84 HG11 ILE 84 -0.733 10.093 0.421 681 HG21 ILE 84 HG21 ILE 84 2.090 6.968 -0.223 682 HG22 ILE 84 HG22 ILE 84 0.453 6.633 0.349 683 HG23 ILE 84 HG23 ILE 84 1.622 7.394 1.425 684 HD11 ILE 84 HD11 ILE 84 -1.388 7.162 -0.014 685 HD12 ILE 84 HD12 ILE 84 -1.713 8.481 -1.138 686 HD13 ILE 84 HD13 ILE 84 -2.566 8.406 0.403 687 H GLN 85 HN GLN 85 2.809 9.092 2.480 688 HA GLN 85 HA GLN 85 5.366 7.997 1.372 689 HB2 GLN 85 HB2 GLN 85 4.984 9.666 3.879 690 HB3 GLN 85 HB1 GLN 85 6.486 8.858 3.430 691 HG2 GLN 85 HG2 GLN 85 6.794 10.232 1.528 692 HG3 GLN 85 HG1 GLN 85 5.113 10.764 1.543 693 HE21 GLN 85 HE21 GLN 85 4.874 12.853 2.343 694 HE22 GLN 85 HE22 GLN 85 5.881 13.579 3.501 695 H ALA 86 HN ALA 86 6.284 7.156 3.959 696 HA ALA 86 HA ALA 86 4.612 4.771 4.281 697 HB1 ALA 86 HB1 ALA 86 6.778 5.195 6.252 698 HB2 ALA 86 HB2 ALA 86 7.312 5.305 4.579 699 HB3 ALA 86 HB3 ALA 86 6.511 3.841 5.150 700 H ASP 87 HN ASP 87 4.574 7.880 5.518 701 HA ASP 87 HA ASP 87 3.612 7.140 8.210 702 HB2 ASP 87 HB2 ASP 87 5.002 9.229 7.681 703 HB3 ASP 87 HB1 ASP 87 3.544 9.875 6.926 704 H ALA 88 HN ALA 88 2.398 6.851 5.323 705 HA ALA 88 HA ALA 88 -0.302 7.986 5.848 706 HB1 ALA 88 HB1 ALA 88 0.785 8.265 3.602 707 HB2 ALA 88 HB2 ALA 88 -0.770 7.434 3.526 708 HB3 ALA 88 HB3 ALA 88 0.730 6.513 3.405 709 H LYS 89 HN LYS 89 -1.685 6.711 6.926 710 HA LYS 89 HA LYS 89 -1.360 3.756 6.838 711 HB2 LYS 89 HB2 LYS 89 -2.739 5.697 8.687 712 HB3 LYS 89 HB1 LYS 89 -3.316 4.049 8.613 713 HG2 LYS 89 HG2 LYS 89 -1.648 4.288 10.403 714 HG3 LYS 89 HG1 LYS 89 -1.070 3.202 9.144 715 HD2 LYS 89 HD2 LYS 89 0.698 4.777 9.840 716 HD3 LYS 89 HD1 LYS 89 0.253 5.025 8.156 717 HE2 LYS 89 HE2 LYS 89 0.486 7.110 9.700 718 HE3 LYS 89 HE1 LYS 89 -0.902 7.015 8.622 719 HZ1 LYS 89 HZ1 LYS 89 -2.324 6.576 10.331 720 HZ2 LYS 89 HZ2 LYS 89 -1.196 7.551 11.147 721 HZ3 LYS 89 HZ3 LYS 89 -1.132 5.860 11.304 722 H LEU 90 HN LEU 90 -2.360 3.034 4.964 723 HA LEU 90 HA LEU 90 -4.794 4.309 3.987 724 HB2 LEU 90 HB2 LEU 90 -3.327 1.814 3.121 725 HB3 LEU 90 HB1 LEU 90 -4.723 2.487 2.285 726 HG LEU 90 HG LEU 90 -2.158 4.005 2.818 727 HD11 LEU 90 HD11 LEU 90 -1.840 2.106 1.248 728 HD12 LEU 90 HD12 LEU 90 -1.651 3.668 0.452 729 HD13 LEU 90 HD13 LEU 90 -3.140 2.745 0.242 730 HD21 LEU 90 HD21 LEU 90 -4.782 4.677 1.525 731 HD22 LEU 90 HD22 LEU 90 -3.320 5.356 0.810 732 HD23 LEU 90 HD23 LEU 90 -3.712 5.689 2.493 733 H GLN 91 HN GLN 91 -6.562 2.784 3.369 734 HA GLN 91 HA GLN 91 -7.201 0.836 5.465 735 HB2 GLN 91 HB2 GLN 91 -9.329 2.661 4.499 736 HB3 GLN 91 HB1 GLN 91 -9.297 1.675 5.932 737 HG2 GLN 91 HG2 GLN 91 -7.667 3.097 6.988 738 HG3 GLN 91 HG1 GLN 91 -7.461 4.041 5.522 739 HE21 GLN 91 HE21 GLN 91 -8.960 5.696 5.110 740 HE22 GLN 91 HE22 GLN 91 -10.273 6.056 6.121 741 H PHE 92 HN PHE 92 -9.124 -0.440 4.663 742 HA PHE 92 HA PHE 92 -9.097 -0.760 1.723 743 HB2 PHE 92 HB2 PHE 92 -7.904 -2.618 2.672 744 HB3 PHE 92 HB1 PHE 92 -9.161 -2.895 3.810 745 HD1 PHE 92 HD1 PHE 92 -11.509 -3.503 3.001 746 HD2 PHE 92 HD2 PHE 92 -8.028 -3.588 0.475 747 HE1 PHE 92 HE1 PHE 92 -12.706 -4.955 1.407 748 HE2 PHE 92 HE2 PHE 92 -9.239 -5.052 -1.122 749 HZ PHE 92 HZ PHE 92 -11.581 -5.731 -0.645 750 H THR 93 HN THR 93 -11.054 -1.367 0.892 751 HA THR 93 HA THR 93 -13.375 -1.781 2.553 752 HB THR 93 HB THR 93 -13.254 0.511 3.050 753 HG1 THR 93 HG1 THR 93 -14.917 1.381 1.440 754 HG21 THR 93 HG21 THR 93 -12.655 0.884 0.113 755 HG22 THR 93 HG22 THR 93 -11.578 1.188 1.477 756 HG23 THR 93 HG23 THR 93 -12.987 2.217 1.215 757 HA PRO 94 HA PRO 94 -14.628 -3.422 -1.387 758 HB2 PRO 94 HB2 PRO 94 -17.311 -3.730 -1.037 759 HB3 PRO 94 HB1 PRO 94 -16.122 -4.730 -0.174 760 HG2 PRO 94 HG2 PRO 94 -17.606 -2.317 0.788 761 HG3 PRO 94 HG1 PRO 94 -17.308 -3.855 1.619 762 HD2 PRO 94 HD2 PRO 94 -15.812 -1.618 2.105 763 HD3 PRO 94 HD1 PRO 94 -15.143 -3.261 2.231 Start of MODEL 11 1 H MET 1 HT1 MET 1 28.374 7.431 3.295 2 HA MET 1 HA MET 1 30.098 6.250 4.539 3 HB2 MET 1 HB2 MET 1 27.683 4.867 5.736 4 HB3 MET 1 HB1 MET 1 29.347 4.312 5.922 5 HG2 MET 1 HG2 MET 1 29.972 6.260 7.133 6 HG3 MET 1 HG1 MET 1 28.504 7.114 6.668 7 HE1 MET 1 HE1 MET 1 29.358 6.949 9.852 8 HE2 MET 1 HE2 MET 1 27.648 6.962 10.275 9 HE3 MET 1 HE3 MET 1 28.208 7.870 8.873 10 H ALA 2 HN ALA 2 29.854 3.436 4.420 11 HA ALA 2 HA ALA 2 28.397 2.454 2.184 12 HB1 ALA 2 HB1 ALA 2 31.179 3.480 1.593 13 HB2 ALA 2 HB2 ALA 2 29.686 3.816 0.716 14 HB3 ALA 2 HB3 ALA 2 30.422 2.217 0.622 15 H LEU 3 HN LEU 3 28.213 0.517 3.239 16 HA LEU 3 HA LEU 3 30.338 -0.716 4.723 17 HB2 LEU 3 HB2 LEU 3 27.993 -2.184 3.505 18 HB3 LEU 3 HB1 LEU 3 28.846 -2.535 4.999 19 HG LEU 3 HG LEU 3 27.059 -0.160 4.440 20 HD11 LEU 3 HD11 LEU 3 25.598 -1.107 6.056 21 HD12 LEU 3 HD12 LEU 3 26.822 -2.253 6.605 22 HD13 LEU 3 HD13 LEU 3 26.074 -2.452 5.020 23 HD21 LEU 3 HD21 LEU 3 27.551 0.289 6.933 24 HD22 LEU 3 HD22 LEU 3 28.815 0.705 5.777 25 HD23 LEU 3 HD23 LEU 3 28.940 -0.778 6.722 26 H ASP 4 HN ASP 4 28.785 -2.250 1.948 27 HA ASP 4 HA ASP 4 31.173 -2.407 0.344 28 HB2 ASP 4 HB2 ASP 4 31.921 -3.936 2.074 29 HB3 ASP 4 HB1 ASP 4 30.393 -4.814 1.996 30 H GLY 5 HN GLY 5 28.345 -4.408 1.168 31 HA2 GLY 5 HA2 GLY 5 27.795 -5.403 -1.402 32 HA3 GLY 5 HA1 GLY 5 26.558 -5.133 -0.174 33 H ILE 6 HN ILE 6 26.327 -2.523 0.112 34 HA ILE 6 HA ILE 6 25.313 -0.651 -0.792 35 HB ILE 6 HB ILE 6 27.479 -1.219 -2.772 36 HG12 ILE 6 HG12 ILE 6 27.432 0.385 -0.206 37 HG13 ILE 6 HG11 ILE 6 28.218 -1.169 -0.424 38 HG21 ILE 6 HG21 ILE 6 25.830 1.239 -2.159 39 HG22 ILE 6 HG22 ILE 6 26.064 0.457 -3.721 40 HG23 ILE 6 HG23 ILE 6 27.385 1.350 -2.980 41 HD11 ILE 6 HD11 ILE 6 28.997 1.492 -1.579 42 HD12 ILE 6 HD12 ILE 6 29.506 -0.008 -2.357 43 HD13 ILE 6 HD13 ILE 6 29.986 0.330 -0.695 44 H ARG 7 HN ARG 7 25.167 -3.552 -2.565 45 HA ARG 7 HA ARG 7 23.692 -2.462 -4.846 46 HB2 ARG 7 HB2 ARG 7 25.053 -4.455 -5.180 47 HB3 ARG 7 HB1 ARG 7 24.228 -5.275 -3.873 48 HG2 ARG 7 HG2 ARG 7 23.451 -5.961 -6.165 49 HG3 ARG 7 HG1 ARG 7 22.171 -5.377 -5.101 50 HD2 ARG 7 HD2 ARG 7 22.234 -4.473 -7.525 51 HD3 ARG 7 HD1 ARG 7 22.029 -3.316 -6.214 52 HE ARG 7 HE ARG 7 24.729 -3.289 -6.505 53 HH11 ARG 7 HH21 ARG 7 22.118 -3.182 -8.761 54 HH12 ARG 7 HH22 ARG 7 22.999 -2.262 -9.933 55 HH21 ARG 7 HH11 ARG 7 25.887 -2.090 -8.024 56 HH22 ARG 7 HH12 ARG 7 25.130 -1.642 -9.516 57 H MET 8 HN MET 8 23.051 -4.359 -1.950 58 HA MET 8 HA MET 8 20.110 -4.021 -2.342 59 HB2 MET 8 HB2 MET 8 19.867 -6.033 -1.138 60 HB3 MET 8 HB1 MET 8 21.351 -6.289 -2.026 61 HG2 MET 8 HG2 MET 8 22.666 -5.562 -0.068 62 HG3 MET 8 HG1 MET 8 21.179 -5.383 0.849 63 HE1 MET 8 HE1 MET 8 23.436 -9.150 -0.291 64 HE2 MET 8 HE2 MET 8 24.000 -7.487 -0.156 65 HE3 MET 8 HE3 MET 8 23.007 -7.964 -1.531 66 HA PRO 9 HA PRO 9 19.526 -1.362 1.126 67 HB2 PRO 9 HB2 PRO 9 18.627 -3.573 2.952 68 HB3 PRO 9 HB1 PRO 9 17.838 -2.023 2.585 69 HG2 PRO 9 HG2 PRO 9 16.904 -4.224 1.504 70 HG3 PRO 9 HG1 PRO 9 17.080 -2.764 0.509 71 HD2 PRO 9 HD2 PRO 9 18.864 -5.172 0.631 72 HD3 PRO 9 HD1 PRO 9 18.295 -4.282 -0.805 73 H ASP 10 HN ASP 10 21.778 -3.744 1.161 74 HA ASP 10 HA ASP 10 22.823 -3.413 3.872 75 HB2 ASP 10 HB2 ASP 10 24.160 -4.519 1.381 76 HB3 ASP 10 HB1 ASP 10 24.784 -4.651 3.022 77 H GLY 11 HN GLY 11 22.395 -1.178 1.755 78 HA2 GLY 11 HA2 GLY 11 24.048 0.803 2.589 79 HA3 GLY 11 HA1 GLY 11 25.099 -0.060 1.464 80 H CYS 12 HN CYS 12 22.429 -0.790 0.050 81 HA CYS 12 HA CYS 12 22.593 1.011 -2.102 82 HB2 CYS 12 HB2 CYS 12 21.392 -1.002 -2.467 83 HB3 CYS 12 HB1 CYS 12 20.343 -0.729 -1.076 84 HG CYS 12 HG CYS 12 19.445 1.429 -2.554 85 H TYR 13 HN TYR 13 19.531 1.007 -0.356 86 HA TYR 13 HA TYR 13 19.786 3.969 0.073 87 HB2 TYR 13 HB2 TYR 13 18.316 3.182 -1.915 88 HB3 TYR 13 HB1 TYR 13 17.195 2.603 -0.683 89 HD1 TYR 13 HD2 TYR 13 18.863 5.601 -2.084 90 HD2 TYR 13 HD1 TYR 13 15.901 4.133 0.660 91 HE1 TYR 13 HE2 TYR 13 17.978 7.902 -1.808 92 HE2 TYR 13 HE1 TYR 13 15.016 6.434 0.934 93 HH TYR 13 HH TYR 13 16.540 9.198 -0.720 94 H ALA 14 HN ALA 14 20.314 3.430 2.321 95 HA ALA 14 HA ALA 14 19.775 2.896 4.555 96 HB1 ALA 14 HB1 ALA 14 17.148 3.980 3.500 97 HB2 ALA 14 HB2 ALA 14 18.415 4.886 4.326 98 HB3 ALA 14 HB3 ALA 14 17.471 3.686 5.209 99 H ASP 15 HN ASP 15 16.485 2.247 4.283 100 HA ASP 15 HA ASP 15 16.992 -0.691 4.412 101 HB2 ASP 15 HB2 ASP 15 15.767 0.499 6.311 102 HB3 ASP 15 HB1 ASP 15 14.461 0.792 5.162 103 H GLY 16 HN GLY 16 15.154 1.835 2.839 104 HA2 GLY 16 HA2 GLY 16 13.838 1.813 0.891 105 HA3 GLY 16 HA1 GLY 16 15.015 0.628 0.322 106 H THR 17 HN THR 17 13.469 -0.323 3.184 107 HA THR 17 HA THR 17 11.348 -1.822 1.705 108 HB THR 17 HB THR 17 12.078 -3.839 3.233 109 HG1 THR 17 HG1 THR 17 14.431 -2.271 3.029 110 HG21 THR 17 HG21 THR 17 12.217 -4.225 0.936 111 HG22 THR 17 HG22 THR 17 13.899 -4.390 1.435 112 HG23 THR 17 HG23 THR 17 13.350 -2.898 0.673 113 H TRP 18 HN TRP 18 9.541 -2.337 2.902 114 HA TRP 18 HA TRP 18 9.424 -2.216 5.769 115 HB2 TRP 18 HB2 TRP 18 7.790 -0.131 5.678 116 HB3 TRP 18 HB1 TRP 18 9.525 0.101 5.829 117 HD1 TRP 18 HD1 TRP 18 10.651 1.533 4.089 118 HE1 TRP 18 HE1 TRP 18 9.952 2.621 1.854 119 HE3 TRP 18 HE3 TRP 18 6.105 -0.705 3.375 120 HZ2 TRP 18 HZ2 TRP 18 7.778 2.578 0.049 121 HZ3 TRP 18 HZ3 TRP 18 4.764 -0.159 1.348 122 HH2 TRP 18 HH2 TRP 18 5.591 1.474 -0.294 123 H GLU 19 HN GLU 19 6.765 -1.639 6.215 124 HA GLU 19 HA GLU 19 5.292 -3.366 4.291 125 HB2 GLU 19 HB2 GLU 19 4.004 -4.276 6.139 126 HB3 GLU 19 HB1 GLU 19 5.711 -4.573 6.430 127 HG2 GLU 19 HG2 GLU 19 4.079 -2.326 7.639 128 HG3 GLU 19 HG1 GLU 19 4.594 -3.783 8.479 129 H LEU 20 HN LEU 20 2.908 -3.056 4.926 130 HA LEU 20 HA LEU 20 2.245 -0.193 5.366 131 HB2 LEU 20 HB2 LEU 20 2.229 -1.589 2.839 132 HB3 LEU 20 HB1 LEU 20 0.562 -1.195 3.264 133 HG LEU 20 HG LEU 20 1.645 0.587 1.924 134 HD11 LEU 20 HD11 LEU 20 1.264 1.752 4.668 135 HD12 LEU 20 HD12 LEU 20 -0.094 0.965 3.866 136 HD13 LEU 20 HD13 LEU 20 0.697 2.349 3.112 137 HD21 LEU 20 HD21 LEU 20 3.632 1.572 2.465 138 HD22 LEU 20 HD22 LEU 20 3.897 0.078 3.346 139 HD23 LEU 20 HD23 LEU 20 3.332 1.505 4.202 140 H SER 21 HN SER 21 0.045 0.121 5.986 141 HA SER 21 HA SER 21 -1.366 -2.328 6.917 142 HB2 SER 21 HB2 SER 21 -2.286 -0.648 8.691 143 HB3 SER 21 HB1 SER 21 -0.674 -1.315 8.886 144 HG SER 21 HG SER 21 -0.697 0.905 7.319 145 H VAL 22 HN VAL 22 -3.353 -2.562 6.314 146 HA VAL 22 HA VAL 22 -4.737 -0.307 4.942 147 HB VAL 22 HB VAL 22 -4.354 -3.152 4.198 148 HG11 VAL 22 HG11 VAL 22 -7.071 -1.846 3.945 149 HG12 VAL 22 HG12 VAL 22 -6.712 -3.355 4.779 150 HG13 VAL 22 HG13 VAL 22 -6.574 -3.259 3.023 151 HG21 VAL 22 HG21 VAL 22 -4.692 -2.188 1.953 152 HG22 VAL 22 HG22 VAL 22 -3.520 -1.251 2.885 153 HG23 VAL 22 HG23 VAL 22 -5.169 -0.654 2.685 154 H HIS 23 HN HIS 23 -6.946 -0.269 5.166 155 HA HIS 23 HA HIS 23 -8.155 -1.461 7.606 156 HB2 HIS 23 HB2 HIS 23 -7.180 1.167 7.448 157 HB3 HIS 23 HB1 HIS 23 -8.898 1.374 7.172 158 HD1 HIS 23 HD1 HIS 23 -6.707 -0.589 9.633 159 HD2 HIS 23 HD2 HIS 23 -10.265 1.582 9.553 160 HE1 HIS 23 HE1 HIS 23 -7.588 -0.570 12.008 161 H VAL 24 HN VAL 24 -10.214 -2.162 7.160 162 HA VAL 24 HA VAL 24 -11.423 -1.312 4.599 163 HB VAL 24 HB VAL 24 -12.447 -3.457 6.393 164 HG11 VAL 24 HG11 VAL 24 -13.848 -2.661 4.493 165 HG12 VAL 24 HG12 VAL 24 -13.367 -4.345 4.296 166 HG13 VAL 24 HG13 VAL 24 -12.550 -3.087 3.385 167 HG21 VAL 24 HG21 VAL 24 -10.066 -3.524 4.562 168 HG22 VAL 24 HG22 VAL 24 -11.069 -4.965 4.713 169 HG23 VAL 24 HG23 VAL 24 -10.286 -4.286 6.135 170 H THR 25 HN THR 25 -13.221 -0.063 4.506 171 HA THR 25 HA THR 25 -14.369 0.803 7.120 172 HB THR 25 HB THR 25 -15.414 2.595 5.581 173 HG1 THR 25 HG1 THR 25 -15.134 1.921 3.582 174 HG21 THR 25 HG21 THR 25 -12.397 2.430 5.796 175 HG22 THR 25 HG22 THR 25 -13.474 2.984 7.078 176 HG23 THR 25 HG23 THR 25 -13.344 3.902 5.577 177 H ASP 26 HN ASP 26 -15.526 -0.161 3.862 178 HA ASP 26 HA ASP 26 -18.282 -0.171 4.487 179 HB2 ASP 26 HB2 ASP 26 -16.655 -1.731 2.480 180 HB3 ASP 26 HB1 ASP 26 -18.409 -1.900 2.585 181 H VAL 27 HN VAL 27 -15.936 -2.200 5.831 182 HA VAL 27 HA VAL 27 -18.077 -4.056 6.778 183 HB VAL 27 HB VAL 27 -16.931 -5.968 6.181 184 HG11 VAL 27 HG11 VAL 27 -16.065 -5.750 3.949 185 HG12 VAL 27 HG12 VAL 27 -15.680 -4.054 4.226 186 HG13 VAL 27 HG13 VAL 27 -17.363 -4.569 4.133 187 HG21 VAL 27 HG21 VAL 27 -14.393 -5.876 5.684 188 HG22 VAL 27 HG22 VAL 27 -14.895 -5.753 7.371 189 HG23 VAL 27 HG23 VAL 27 -14.450 -4.307 6.474 190 H ASN 28 HN ASN 28 -15.136 -2.322 7.303 191 HA ASN 28 HA ASN 28 -14.305 -1.440 9.264 192 HB2 ASN 28 HB2 ASN 28 -16.758 -1.953 9.967 193 HB3 ASN 28 HB1 ASN 28 -16.012 -3.229 10.919 194 HD21 ASN 28 HD21 ASN 28 -15.132 0.210 10.212 195 HD22 ASN 28 HD22 ASN 28 -14.862 0.627 11.835 196 H ARG 29 HN ARG 29 -13.577 -4.255 8.049 197 HA ARG 29 HA ARG 29 -12.083 -5.235 10.484 198 HB2 ARG 29 HB2 ARG 29 -11.488 -7.206 9.246 199 HB3 ARG 29 HB1 ARG 29 -13.228 -6.999 9.135 200 HG2 ARG 29 HG2 ARG 29 -13.011 -7.150 6.886 201 HG3 ARG 29 HG1 ARG 29 -12.196 -5.605 6.907 202 HD2 ARG 29 HD2 ARG 29 -10.675 -7.005 5.794 203 HD3 ARG 29 HD1 ARG 29 -10.051 -6.977 7.438 204 HE ARG 29 HE ARG 29 -11.532 -9.241 6.176 205 HH11 ARG 29 HH21 ARG 29 -9.733 -7.918 8.840 206 HH12 ARG 29 HH22 ARG 29 -9.471 -9.461 9.573 207 HH21 ARG 29 HH11 ARG 29 -11.185 -11.230 7.146 208 HH22 ARG 29 HH12 ARG 29 -10.289 -11.324 8.625 209 H ASP 30 HN ASP 30 -9.699 -6.005 9.559 210 HA ASP 30 HA ASP 30 -8.700 -3.834 7.775 211 HB2 ASP 30 HB2 ASP 30 -6.707 -3.877 9.694 212 HB3 ASP 30 HB1 ASP 30 -7.984 -2.665 9.607 213 H VAL 31 HN VAL 31 -6.760 -4.268 6.815 214 HA VAL 31 HA VAL 31 -5.572 -6.959 7.138 215 HB VAL 31 HB VAL 31 -6.306 -5.855 4.410 216 HG11 VAL 31 HG11 VAL 31 -5.633 -8.610 5.486 217 HG12 VAL 31 HG12 VAL 31 -4.609 -7.605 4.461 218 HG13 VAL 31 HG13 VAL 31 -6.106 -8.278 3.821 219 HG21 VAL 31 HG21 VAL 31 -8.264 -7.406 4.475 220 HG22 VAL 31 HG22 VAL 31 -8.409 -6.090 5.634 221 HG23 VAL 31 HG23 VAL 31 -7.941 -7.700 6.182 222 H THR 32 HN THR 32 -3.330 -6.870 6.018 223 HA THR 32 HA THR 32 -2.417 -4.050 5.611 224 HB THR 32 HB THR 32 -0.428 -4.534 6.925 225 HG1 THR 32 HG1 THR 32 -0.717 -6.896 6.423 226 HG21 THR 32 HG21 THR 32 -2.750 -3.842 7.963 227 HG22 THR 32 HG22 THR 32 -1.407 -4.277 9.019 228 HG23 THR 32 HG23 THR 32 -2.674 -5.454 8.675 229 H LEU 33 HN LEU 33 -0.699 -3.766 4.208 230 HA LEU 33 HA LEU 33 -0.251 -6.051 2.355 231 HB2 LEU 33 HB2 LEU 33 -0.069 -3.069 2.075 232 HB3 LEU 33 HB1 LEU 33 0.896 -4.073 1.009 233 HG LEU 33 HG LEU 33 -1.238 -3.458 -0.006 234 HD11 LEU 33 HD11 LEU 33 -1.575 -6.379 0.523 235 HD12 LEU 33 HD12 LEU 33 -0.061 -5.837 -0.205 236 HD13 LEU 33 HD13 LEU 33 -1.595 -5.493 -0.994 237 HD21 LEU 33 HD21 LEU 33 -3.279 -3.736 0.955 238 HD22 LEU 33 HD22 LEU 33 -2.357 -3.658 2.452 239 HD23 LEU 33 HD23 LEU 33 -2.819 -5.219 1.781 240 H ARG 34 HN ARG 34 1.732 -6.773 1.949 241 HA ARG 34 HA ARG 34 4.002 -5.701 3.614 242 HB2 ARG 34 HB2 ARG 34 3.283 -8.202 3.798 243 HB3 ARG 34 HB1 ARG 34 3.966 -8.361 2.182 244 HG2 ARG 34 HG2 ARG 34 5.826 -8.885 3.488 245 HG3 ARG 34 HG1 ARG 34 6.061 -7.155 3.251 246 HD2 ARG 34 HD2 ARG 34 6.333 -7.316 5.560 247 HD3 ARG 34 HD1 ARG 34 4.604 -6.982 5.470 248 HE ARG 34 HE ARG 34 4.707 -9.733 5.383 249 HH11 ARG 34 HH21 ARG 34 6.067 -7.279 7.385 250 HH12 ARG 34 HH22 ARG 34 6.086 -8.264 8.810 251 HH21 ARG 34 HH11 ARG 34 4.727 -11.037 7.231 252 HH22 ARG 34 HH12 ARG 34 5.328 -10.393 8.722 253 H VAL 35 HN VAL 35 4.632 -4.059 2.147 254 HA VAL 35 HA VAL 35 5.847 -5.019 -0.383 255 HB VAL 35 HB VAL 35 4.657 -3.256 -1.666 256 HG11 VAL 35 HG11 VAL 35 2.658 -5.056 -0.293 257 HG12 VAL 35 HG12 VAL 35 3.847 -5.664 -1.447 258 HG13 VAL 35 HG13 VAL 35 2.643 -4.487 -1.962 259 HG21 VAL 35 HG21 VAL 35 3.516 -2.701 1.050 260 HG22 VAL 35 HG22 VAL 35 2.404 -2.569 -0.305 261 HG23 VAL 35 HG23 VAL 35 3.867 -1.589 -0.269 262 H THR 36 HN THR 36 6.429 -2.747 -1.620 263 HA THR 36 HA THR 36 7.805 -0.971 0.348 264 HB THR 36 HB THR 36 9.790 -0.944 -1.132 265 HG1 THR 36 HG1 THR 36 9.930 -2.399 -2.787 266 HG21 THR 36 HG21 THR 36 9.259 -3.822 -0.450 267 HG22 THR 36 HG22 THR 36 9.380 -2.625 0.837 268 HG23 THR 36 HG23 THR 36 10.739 -2.891 -0.254 269 H GLY 37 HN GLY 37 8.824 0.889 -1.072 270 HA2 GLY 37 HA2 GLY 37 6.623 2.328 -2.202 271 HA3 GLY 37 HA1 GLY 37 8.313 2.800 -2.315 272 H GLU 38 HN GLU 38 7.786 -0.331 -3.465 273 HA GLU 38 HA GLU 38 8.061 0.651 -6.264 274 HB2 GLU 38 HB2 GLU 38 9.190 -1.394 -6.705 275 HB3 GLU 38 HB1 GLU 38 9.741 -0.900 -5.107 276 HG2 GLU 38 HG2 GLU 38 9.210 -3.114 -4.655 277 HG3 GLU 38 HG1 GLU 38 7.669 -2.339 -4.279 278 H VAL 39 HN VAL 39 5.838 -1.077 -4.207 279 HA VAL 39 HA VAL 39 4.542 -2.518 -6.358 280 HB VAL 39 HB VAL 39 4.273 -3.326 -4.079 281 HG11 VAL 39 HG11 VAL 39 2.892 -0.685 -3.615 282 HG12 VAL 39 HG12 VAL 39 4.368 -1.238 -2.857 283 HG13 VAL 39 HG13 VAL 39 2.846 -2.030 -2.497 284 HG21 VAL 39 HG21 VAL 39 2.420 -3.563 -5.808 285 HG22 VAL 39 HG22 VAL 39 1.611 -2.222 -4.996 286 HG23 VAL 39 HG23 VAL 39 1.919 -3.727 -4.125 287 H HIS 40 HN HIS 40 2.940 -1.887 -7.678 288 HA HIS 40 HA HIS 40 2.357 0.932 -7.937 289 HB2 HIS 40 HB2 HIS 40 1.356 -1.582 -9.267 290 HB3 HIS 40 HB1 HIS 40 0.626 -0.022 -9.620 291 HD1 HIS 40 HD1 HIS 40 1.726 -0.686 -12.086 292 HD2 HIS 40 HD2 HIS 40 4.357 0.486 -9.073 293 HE1 HIS 40 HE1 HIS 40 3.884 -0.023 -13.236 294 H ILE 41 HN ILE 41 0.343 1.991 -7.494 295 HA ILE 41 HA ILE 41 -1.094 1.127 -5.206 296 HB ILE 41 HB ILE 41 -2.232 2.777 -7.470 297 HG12 ILE 41 HG12 ILE 41 -0.543 3.654 -5.109 298 HG13 ILE 41 HG11 ILE 41 0.001 3.606 -6.780 299 HG21 ILE 41 HG21 ILE 41 -3.641 1.883 -5.431 300 HG22 ILE 41 HG22 ILE 41 -3.782 3.572 -5.901 301 HG23 ILE 41 HG23 ILE 41 -2.777 3.123 -4.521 302 HD11 ILE 41 HD11 ILE 41 -2.502 5.100 -6.512 303 HD12 ILE 41 HD12 ILE 41 -0.979 5.565 -7.252 304 HD13 ILE 41 HD13 ILE 41 -1.211 5.772 -5.521 305 H GLY 42 HN GLY 42 -1.824 0.927 -8.660 306 HA2 GLY 42 HA2 GLY 42 -4.148 -0.724 -8.429 307 HA3 GLY 42 HA1 GLY 42 -3.122 -0.591 -9.867 308 H GLY 43 HN GLY 43 -1.000 -1.297 -7.510 309 HA2 GLY 43 HA2 GLY 43 -1.151 -4.245 -8.036 310 HA3 GLY 43 HA1 GLY 43 0.333 -3.359 -7.657 311 H VAL 44 HN VAL 44 -0.980 -1.722 -5.622 312 HA VAL 44 HA VAL 44 -0.512 -3.333 -3.318 313 HB VAL 44 HB VAL 44 -1.690 -0.676 -3.966 314 HG11 VAL 44 HG11 VAL 44 -2.435 -2.163 -1.463 315 HG12 VAL 44 HG12 VAL 44 -3.467 -1.238 -2.545 316 HG13 VAL 44 HG13 VAL 44 -2.342 -0.404 -1.473 317 HG21 VAL 44 HG21 VAL 44 0.330 -1.701 -1.960 318 HG22 VAL 44 HG22 VAL 44 -0.213 -0.028 -1.990 319 HG23 VAL 44 HG23 VAL 44 0.613 -0.707 -3.387 320 H MET 45 HN MET 45 -3.421 -2.469 -5.122 321 HA MET 45 HA MET 45 -5.307 -3.822 -3.465 322 HB2 MET 45 HB2 MET 45 -5.986 -3.957 -6.317 323 HB3 MET 45 HB1 MET 45 -6.781 -3.062 -5.028 324 HG2 MET 45 HG2 MET 45 -5.026 -1.300 -5.238 325 HG3 MET 45 HG1 MET 45 -4.357 -2.186 -6.604 326 HE1 MET 45 HE1 MET 45 -7.157 0.347 -5.474 327 HE2 MET 45 HE2 MET 45 -7.036 1.124 -7.048 328 HE3 MET 45 HE3 MET 45 -5.573 0.771 -6.136 329 H LEU 46 HN LEU 46 -3.546 -4.928 -6.357 330 HA LEU 46 HA LEU 46 -4.607 -7.574 -6.299 331 HB2 LEU 46 HB2 LEU 46 -1.843 -6.807 -7.261 332 HB3 LEU 46 HB1 LEU 46 -2.826 -8.164 -7.807 333 HG LEU 46 HG LEU 46 -3.598 -5.254 -8.133 334 HD11 LEU 46 HD11 LEU 46 -2.897 -5.410 -10.411 335 HD12 LEU 46 HD12 LEU 46 -2.665 -7.154 -10.294 336 HD13 LEU 46 HD13 LEU 46 -1.563 -6.060 -9.459 337 HD21 LEU 46 HD21 LEU 46 -5.586 -6.544 -8.151 338 HD22 LEU 46 HD22 LEU 46 -4.815 -7.884 -8.999 339 HD23 LEU 46 HD23 LEU 46 -5.175 -6.386 -9.857 340 H LYS 47 HN LYS 47 -1.427 -6.414 -5.174 341 HA LYS 47 HA LYS 47 -0.613 -8.757 -3.911 342 HB2 LYS 47 HB2 LYS 47 0.666 -6.563 -4.113 343 HB3 LYS 47 HB1 LYS 47 -0.243 -5.993 -2.731 344 HG2 LYS 47 HG2 LYS 47 1.639 -6.868 -1.670 345 HG3 LYS 47 HG1 LYS 47 0.540 -8.246 -1.625 346 HD2 LYS 47 HD2 LYS 47 2.430 -9.289 -2.507 347 HD3 LYS 47 HD1 LYS 47 1.660 -8.773 -4.006 348 HE2 LYS 47 HE2 LYS 47 3.758 -7.898 -4.395 349 HE3 LYS 47 HE1 LYS 47 3.100 -6.542 -3.479 350 HZ1 LYS 47 HZ1 LYS 47 4.955 -8.653 -2.610 351 HZ2 LYS 47 HZ2 LYS 47 3.953 -7.903 -1.461 352 HZ3 LYS 47 HZ3 LYS 47 5.050 -6.977 -2.371 353 H LEU 48 HN LEU 48 -3.066 -6.470 -2.994 354 HA LEU 48 HA LEU 48 -3.457 -7.699 -0.357 355 HB2 LEU 48 HB2 LEU 48 -3.825 -5.357 -0.455 356 HB3 LEU 48 HB1 LEU 48 -4.861 -5.497 -1.855 357 HG LEU 48 HG LEU 48 -6.589 -6.540 -0.582 358 HD11 LEU 48 HD11 LEU 48 -6.185 -6.884 1.947 359 HD12 LEU 48 HD12 LEU 48 -4.474 -6.756 1.566 360 HD13 LEU 48 HD13 LEU 48 -5.428 -8.043 0.867 361 HD21 LEU 48 HD21 LEU 48 -6.141 -4.016 -0.304 362 HD22 LEU 48 HD22 LEU 48 -5.478 -4.427 1.276 363 HD23 LEU 48 HD23 LEU 48 -7.162 -4.784 0.912 364 H VAL 49 HN VAL 49 -5.472 -7.298 -3.317 365 HA VAL 49 HA VAL 49 -7.524 -9.089 -2.515 366 HB VAL 49 HB VAL 49 -6.416 -8.596 -5.298 367 HG11 VAL 49 HG11 VAL 49 -7.632 -10.649 -5.376 368 HG12 VAL 49 HG12 VAL 49 -8.736 -9.408 -5.970 369 HG13 VAL 49 HG13 VAL 49 -8.897 -10.018 -4.322 370 HG21 VAL 49 HG21 VAL 49 -7.371 -6.617 -4.025 371 HG22 VAL 49 HG22 VAL 49 -8.907 -7.486 -3.981 372 HG23 VAL 49 HG23 VAL 49 -8.217 -7.005 -5.529 373 H GLU 50 HN GLU 50 -4.385 -9.637 -4.027 374 HA GLU 50 HA GLU 50 -4.667 -12.454 -4.407 375 HB2 GLU 50 HB2 GLU 50 -2.248 -10.694 -3.960 376 HB3 GLU 50 HB1 GLU 50 -2.131 -12.418 -4.320 377 HG2 GLU 50 HG2 GLU 50 -3.369 -12.096 -6.397 378 HG3 GLU 50 HG1 GLU 50 -3.584 -10.395 -6.037 379 H LYS 51 HN LYS 51 -3.468 -10.501 -1.660 380 HA LYS 51 HA LYS 51 -2.674 -12.681 -0.013 381 HB2 LYS 51 HB2 LYS 51 -3.444 -9.834 0.402 382 HB3 LYS 51 HB1 LYS 51 -3.492 -10.858 1.818 383 HG2 LYS 51 HG2 LYS 51 -1.144 -11.550 1.387 384 HG3 LYS 51 HG1 LYS 51 -1.109 -10.497 -0.023 385 HD2 LYS 51 HD2 LYS 51 -0.067 -9.384 1.907 386 HD3 LYS 51 HD1 LYS 51 -1.531 -8.536 1.417 387 HE2 LYS 51 HE2 LYS 51 -1.116 -9.067 3.966 388 HE3 LYS 51 HE1 LYS 51 -2.733 -9.245 3.288 389 HZ1 LYS 51 HZ1 LYS 51 -2.466 -11.561 3.123 390 HZ2 LYS 51 HZ2 LYS 51 -1.878 -11.153 4.664 391 HZ3 LYS 51 HZ3 LYS 51 -0.794 -11.481 3.398 392 H LEU 52 HN LEU 52 -5.796 -10.894 -0.044 393 HA LEU 52 HA LEU 52 -7.167 -12.486 1.833 394 HB2 LEU 52 HB2 LEU 52 -8.388 -11.357 -0.698 395 HB3 LEU 52 HB1 LEU 52 -9.223 -11.719 0.811 396 HG LEU 52 HG LEU 52 -7.005 -9.683 0.515 397 HD11 LEU 52 HD11 LEU 52 -8.842 -8.025 0.805 398 HD12 LEU 52 HD12 LEU 52 -10.010 -9.343 0.712 399 HD13 LEU 52 HD13 LEU 52 -9.003 -8.957 -0.683 400 HD21 LEU 52 HD21 LEU 52 -6.989 -10.360 2.772 401 HD22 LEU 52 HD22 LEU 52 -8.734 -10.616 2.809 402 HD23 LEU 52 HD23 LEU 52 -8.082 -8.981 2.792 403 H ASP 53 HN ASP 53 -9.313 -13.696 0.759 404 HA ASP 53 HA ASP 53 -8.440 -15.658 -1.281 405 HB2 ASP 53 HB2 ASP 53 -9.231 -16.366 1.560 406 HB3 ASP 53 HB1 ASP 53 -9.238 -17.534 0.238 407 H VAL 54 HN VAL 54 -10.224 -16.420 -2.461 408 HA VAL 54 HA VAL 54 -12.433 -16.413 -3.259 409 HB VAL 54 HB VAL 54 -13.307 -16.076 -0.382 410 HG11 VAL 54 HG11 VAL 54 -15.068 -16.092 -2.077 411 HG12 VAL 54 HG12 VAL 54 -15.121 -17.597 -1.159 412 HG13 VAL 54 HG13 VAL 54 -14.415 -17.574 -2.775 413 HG21 VAL 54 HG21 VAL 54 -11.569 -17.775 -0.331 414 HG22 VAL 54 HG22 VAL 54 -12.241 -18.560 -1.759 415 HG23 VAL 54 HG23 VAL 54 -13.134 -18.581 -0.239 416 H LYS 55 HN LYS 55 -14.384 -14.940 -3.444 417 HA LYS 55 HA LYS 55 -15.181 -12.753 -3.811 418 HB2 LYS 55 HB2 LYS 55 -15.439 -13.008 -1.302 419 HB3 LYS 55 HB1 LYS 55 -13.881 -12.199 -1.129 420 HG2 LYS 55 HG2 LYS 55 -14.862 -10.294 -2.524 421 HG3 LYS 55 HG1 LYS 55 -16.429 -11.072 -2.325 422 HD2 LYS 55 HD2 LYS 55 -14.724 -10.456 0.094 423 HD3 LYS 55 HD1 LYS 55 -15.725 -9.203 -0.633 424 HE2 LYS 55 HE2 LYS 55 -16.777 -11.905 0.250 425 HE3 LYS 55 HE1 LYS 55 -16.871 -10.439 1.224 426 HZ1 LYS 55 HZ1 LYS 55 -18.593 -9.724 0.049 427 HZ2 LYS 55 HZ2 LYS 55 -18.662 -11.255 -0.686 428 HZ3 LYS 55 HZ3 LYS 55 -17.801 -9.992 -1.427 429 H LYS 56 HN LYS 56 -13.161 -12.924 -5.401 430 HA LYS 56 HA LYS 56 -10.984 -11.067 -4.661 431 HB2 LYS 56 HB2 LYS 56 -11.510 -12.997 -6.900 432 HB3 LYS 56 HB1 LYS 56 -10.409 -11.669 -7.221 433 HG2 LYS 56 HG2 LYS 56 -9.020 -13.432 -6.468 434 HG3 LYS 56 HG1 LYS 56 -9.180 -12.376 -5.071 435 HD2 LYS 56 HD2 LYS 56 -9.531 -14.634 -4.308 436 HD3 LYS 56 HD1 LYS 56 -11.087 -13.811 -4.292 437 HE2 LYS 56 HE2 LYS 56 -11.963 -15.234 -5.852 438 HE3 LYS 56 HE1 LYS 56 -10.529 -15.136 -6.872 439 HZ1 LYS 56 HZ1 LYS 56 -11.233 -17.301 -5.481 440 HZ2 LYS 56 HZ2 LYS 56 -10.174 -16.561 -4.377 441 HZ3 LYS 56 HZ3 LYS 56 -9.639 -16.951 -5.941 442 H ASP 57 HN ASP 57 -10.956 -8.973 -5.225 443 HA ASP 57 HA ASP 57 -12.969 -7.977 -7.217 444 HB2 ASP 57 HB2 ASP 57 -11.680 -6.110 -5.261 445 HB3 ASP 57 HB1 ASP 57 -13.316 -6.094 -5.911 446 H TRP 58 HN TRP 58 -12.163 -6.308 -8.672 447 HA TRP 58 HA TRP 58 -9.188 -6.182 -8.892 448 HB2 TRP 58 HB2 TRP 58 -11.187 -6.378 -11.130 449 HB3 TRP 58 HB1 TRP 58 -9.442 -6.380 -11.281 450 HD1 TRP 58 HD1 TRP 58 -8.308 -8.459 -9.594 451 HE1 TRP 58 HE1 TRP 58 -9.050 -10.929 -9.573 452 HE3 TRP 58 HE3 TRP 58 -12.966 -7.996 -11.631 453 HZ2 TRP 58 HZ2 TRP 58 -11.323 -12.500 -10.322 454 HZ3 TRP 58 HZ3 TRP 58 -14.398 -9.991 -11.966 455 HH2 TRP 58 HH2 TRP 58 -13.583 -12.240 -11.315 456 H SER 59 HN SER 59 -11.459 -4.661 -11.096 457 HA SER 59 HA SER 59 -10.330 -2.036 -10.420 458 HB2 SER 59 HB2 SER 59 -12.491 -2.815 -12.402 459 HB3 SER 59 HB1 SER 59 -11.748 -1.223 -12.276 460 HG SER 59 HG SER 59 -9.945 -1.984 -13.133 461 H ASP 60 HN ASP 60 -12.543 -3.859 -8.911 462 HA ASP 60 HA ASP 60 -14.589 -1.751 -8.512 463 HB2 ASP 60 HB2 ASP 60 -15.120 -4.239 -8.793 464 HB3 ASP 60 HB1 ASP 60 -14.473 -4.454 -7.166 465 H HIS 61 HN HIS 61 -11.979 -3.362 -6.680 466 HA HIS 61 HA HIS 61 -12.754 -2.203 -4.169 467 HB2 HIS 61 HB2 HIS 61 -10.429 -2.822 -3.481 468 HB3 HIS 61 HB1 HIS 61 -11.381 -4.147 -4.128 469 HD1 HIS 61 HD1 HIS 61 -9.776 -5.571 -5.415 470 HD2 HIS 61 HD2 HIS 61 -9.123 -1.516 -6.127 471 HE1 HIS 61 HE1 HIS 61 -7.924 -5.418 -7.142 472 H ALA 62 HN ALA 62 -11.165 -0.807 -2.947 473 HA ALA 62 HA ALA 62 -9.525 1.085 -4.427 474 HB1 ALA 62 HB1 ALA 62 -11.668 2.065 -5.018 475 HB2 ALA 62 HB2 ALA 62 -10.923 3.087 -3.789 476 HB3 ALA 62 HB3 ALA 62 -12.217 1.974 -3.344 477 H LEU 63 HN LEU 63 -8.300 2.440 -2.895 478 HA LEU 63 HA LEU 63 -8.556 1.493 -0.078 479 HB2 LEU 63 HB2 LEU 63 -6.201 2.822 -1.412 480 HB3 LEU 63 HB1 LEU 63 -6.225 2.073 0.174 481 HG LEU 63 HG LEU 63 -5.162 0.539 -1.294 482 HD11 LEU 63 HD11 LEU 63 -6.930 -0.332 0.299 483 HD12 LEU 63 HD12 LEU 63 -6.471 -1.407 -1.019 484 HD13 LEU 63 HD13 LEU 63 -7.980 -0.500 -1.109 485 HD21 LEU 63 HD21 LEU 63 -5.760 0.011 -3.459 486 HD22 LEU 63 HD22 LEU 63 -6.427 1.644 -3.381 487 HD23 LEU 63 HD23 LEU 63 -7.483 0.249 -3.161 488 H TRP 64 HN TRP 64 -9.468 2.986 1.316 489 HA TRP 64 HA TRP 64 -9.444 5.830 0.454 490 HB2 TRP 64 HB2 TRP 64 -11.322 4.445 1.861 491 HB3 TRP 64 HB1 TRP 64 -10.404 5.093 3.203 492 HD1 TRP 64 HD1 TRP 64 -9.698 7.899 2.483 493 HE1 TRP 64 HE1 TRP 64 -11.461 9.717 1.995 494 HE3 TRP 64 HE3 TRP 64 -13.686 4.952 1.266 495 HZ2 TRP 64 HZ2 TRP 64 -14.201 9.895 1.195 496 HZ3 TRP 64 HZ3 TRP 64 -15.859 5.971 0.646 497 HH2 TRP 64 HH2 TRP 64 -16.121 8.436 0.609 498 H TRP 65 HN TRP 65 -7.901 7.252 1.129 499 HA TRP 65 HA TRP 65 -5.822 6.272 3.015 500 HB2 TRP 65 HB2 TRP 65 -5.310 7.325 0.749 501 HB3 TRP 65 HB1 TRP 65 -5.851 8.850 1.434 502 HD1 TRP 65 HD1 TRP 65 -4.304 7.354 4.291 503 HE1 TRP 65 HE1 TRP 65 -1.829 8.017 4.524 504 HE3 TRP 65 HE3 TRP 65 -3.432 9.191 -0.396 505 HZ2 TRP 65 HZ2 TRP 65 0.249 9.183 2.939 506 HZ3 TRP 65 HZ3 TRP 65 -1.201 10.078 -1.002 507 HH2 TRP 65 HH2 TRP 65 0.640 10.078 0.658 508 H GLU 66 HN GLU 66 -6.286 6.743 5.136 509 HA GLU 66 HA GLU 66 -8.115 8.698 6.045 510 HB2 GLU 66 HB2 GLU 66 -6.823 8.496 8.246 511 HB3 GLU 66 HB1 GLU 66 -7.461 6.994 7.576 512 HG2 GLU 66 HG2 GLU 66 -5.301 6.441 6.619 513 HG3 GLU 66 HG1 GLU 66 -4.638 7.994 7.124 514 H LYS 67 HN LYS 67 -4.721 9.059 5.145 515 HA LYS 67 HA LYS 67 -4.274 11.546 6.510 516 HB2 LYS 67 HB2 LYS 67 -2.470 10.142 5.664 517 HB3 LYS 67 HB1 LYS 67 -3.036 10.423 4.014 518 HG2 LYS 67 HG2 LYS 67 -2.424 12.686 4.041 519 HG3 LYS 67 HG1 LYS 67 -2.362 12.748 5.803 520 HD2 LYS 67 HD2 LYS 67 -0.297 11.645 5.912 521 HD3 LYS 67 HD1 LYS 67 -0.485 10.932 4.314 522 HE2 LYS 67 HE2 LYS 67 0.087 12.925 3.215 523 HE3 LYS 67 HE1 LYS 67 -0.301 13.921 4.617 524 HZ1 LYS 67 HZ1 LYS 67 1.809 11.939 4.949 525 HZ2 LYS 67 HZ2 LYS 67 1.683 13.510 5.582 526 HZ3 LYS 67 HZ3 LYS 67 2.171 13.276 3.971 527 H LYS 68 HN LYS 68 -4.965 10.923 3.047 528 HA LYS 68 HA LYS 68 -5.728 13.799 2.734 529 HB2 LYS 68 HB2 LYS 68 -4.795 11.623 0.874 530 HB3 LYS 68 HB1 LYS 68 -5.771 12.933 0.212 531 HG2 LYS 68 HG2 LYS 68 -3.400 13.584 1.959 532 HG3 LYS 68 HG1 LYS 68 -3.140 13.159 0.269 533 HD2 LYS 68 HD2 LYS 68 -5.229 15.227 0.939 534 HD3 LYS 68 HD1 LYS 68 -3.529 15.691 0.964 535 HE2 LYS 68 HE2 LYS 68 -3.236 15.194 -1.331 536 HE3 LYS 68 HE1 LYS 68 -4.713 14.235 -1.403 537 HZ1 LYS 68 HZ1 LYS 68 -5.009 17.014 -0.596 538 HZ2 LYS 68 HZ2 LYS 68 -6.002 16.056 -1.587 539 HZ3 LYS 68 HZ3 LYS 68 -4.584 16.748 -2.216 540 H ARG 69 HN ARG 69 -7.143 10.936 3.482 541 HA ARG 69 HA ARG 69 -9.310 10.067 3.225 542 HB2 ARG 69 HB2 ARG 69 -9.799 13.058 3.111 543 HB3 ARG 69 HB1 ARG 69 -11.103 11.877 3.178 544 HG2 ARG 69 HG2 ARG 69 -10.860 12.306 5.448 545 HG3 ARG 69 HG1 ARG 69 -9.722 10.974 5.289 546 HD2 ARG 69 HD2 ARG 69 -8.489 12.602 6.458 547 HD3 ARG 69 HD1 ARG 69 -7.965 12.836 4.792 548 HE ARG 69 HE ARG 69 -10.206 14.519 5.236 549 HH11 ARG 69 HH21 ARG 69 -6.949 14.042 6.261 550 HH12 ARG 69 HH22 ARG 69 -6.671 15.718 6.600 551 HH21 ARG 69 HH11 ARG 69 -9.862 16.708 5.672 552 HH22 ARG 69 HH12 ARG 69 -8.321 17.228 6.266 553 H THR 70 HN THR 70 -7.847 9.989 0.855 554 HA THR 70 HA THR 70 -9.931 10.515 -1.217 555 HB THR 70 HB THR 70 -7.891 12.085 -1.246 556 HG1 THR 70 HG1 THR 70 -7.601 11.608 -3.575 557 HG21 THR 70 HG21 THR 70 -6.341 10.065 -0.703 558 HG22 THR 70 HG22 THR 70 -5.780 11.249 -1.887 559 HG23 THR 70 HG23 THR 70 -6.455 9.710 -2.429 560 H TRP 71 HN TRP 71 -9.706 9.013 -3.053 561 HA TRP 71 HA TRP 71 -8.870 6.332 -2.133 562 HB2 TRP 71 HB2 TRP 71 -10.069 6.754 -4.840 563 HB3 TRP 71 HB1 TRP 71 -10.349 5.466 -3.678 564 HD1 TRP 71 HD1 TRP 71 -11.343 6.852 -1.182 565 HE1 TRP 71 HE1 TRP 71 -13.524 8.226 -1.137 566 HE3 TRP 71 HE3 TRP 71 -11.833 7.892 -6.157 567 HZ2 TRP 71 HZ2 TRP 71 -15.248 9.587 -2.970 568 HZ3 TRP 71 HZ3 TRP 71 -13.751 9.227 -6.980 569 HH2 TRP 71 HH2 TRP 71 -15.458 10.075 -5.395 570 H LEU 72 HN LEU 72 -7.415 5.057 -3.323 571 HA LEU 72 HA LEU 72 -5.512 6.576 -5.068 572 HB2 LEU 72 HB2 LEU 72 -4.894 3.878 -3.870 573 HB3 LEU 72 HB1 LEU 72 -3.798 5.197 -4.282 574 HG LEU 72 HG LEU 72 -5.811 5.347 -2.033 575 HD11 LEU 72 HD11 LEU 72 -4.033 4.862 -0.521 576 HD12 LEU 72 HD12 LEU 72 -2.844 4.865 -1.823 577 HD13 LEU 72 HD13 LEU 72 -4.050 3.581 -1.730 578 HD21 LEU 72 HD21 LEU 72 -4.369 7.274 -1.373 579 HD22 LEU 72 HD22 LEU 72 -5.116 7.512 -2.953 580 HD23 LEU 72 HD23 LEU 72 -3.423 7.033 -2.840 581 H LEU 73 HN LEU 73 -6.243 6.252 -7.148 582 HA LEU 73 HA LEU 73 -7.170 3.534 -7.924 583 HB2 LEU 73 HB2 LEU 73 -7.457 5.949 -9.676 584 HB3 LEU 73 HB1 LEU 73 -8.522 4.562 -9.498 585 HG LEU 73 HG LEU 73 -8.131 6.778 -7.463 586 HD11 LEU 73 HD11 LEU 73 -10.348 6.090 -9.391 587 HD12 LEU 73 HD12 LEU 73 -9.414 7.582 -9.294 588 HD13 LEU 73 HD13 LEU 73 -10.568 7.181 -8.023 589 HD21 LEU 73 HD21 LEU 73 -9.364 4.074 -7.273 590 HD22 LEU 73 HD22 LEU 73 -10.388 5.384 -6.692 591 HD23 LEU 73 HD23 LEU 73 -8.790 5.144 -5.994 592 H LYS 74 HN LYS 74 -5.206 6.176 -9.378 593 HA LYS 74 HA LYS 74 -4.247 4.442 -11.412 594 HB2 LYS 74 HB2 LYS 74 -3.090 6.248 -12.289 595 HB3 LYS 74 HB1 LYS 74 -4.468 6.970 -11.479 596 HG2 LYS 74 HG2 LYS 74 -1.858 6.700 -9.987 597 HG3 LYS 74 HG1 LYS 74 -2.070 7.981 -11.150 598 HD2 LYS 74 HD2 LYS 74 -2.735 8.949 -9.132 599 HD3 LYS 74 HD1 LYS 74 -4.244 8.558 -9.905 600 HE2 LYS 74 HE2 LYS 74 -4.827 7.264 -8.133 601 HE3 LYS 74 HE1 LYS 74 -3.359 6.321 -8.294 602 HZ1 LYS 74 HZ1 LYS 74 -3.060 8.976 -7.168 603 HZ2 LYS 74 HZ2 LYS 74 -2.290 7.521 -6.747 604 HZ3 LYS 74 HZ3 LYS 74 -3.867 7.839 -6.202 605 H THR 75 HN THR 75 -2.268 3.545 -11.795 606 HA THR 75 HA THR 75 -0.790 2.693 -9.406 607 HB THR 75 HB THR 75 -0.982 0.945 -10.965 608 HG1 THR 75 HG1 THR 75 1.186 1.081 -12.157 609 HG21 THR 75 HG21 THR 75 -1.942 2.035 -12.824 610 HG22 THR 75 HG22 THR 75 -0.417 1.399 -13.438 611 HG23 THR 75 HG23 THR 75 -0.557 3.109 -13.026 612 H HIS 76 HN HIS 76 -0.330 4.714 -12.245 613 HA HIS 76 HA HIS 76 2.332 5.347 -12.303 614 HB2 HIS 76 HB2 HIS 76 0.533 6.347 -13.728 615 HB3 HIS 76 HB1 HIS 76 0.128 7.410 -12.377 616 HD1 HIS 76 HD1 HIS 76 3.652 6.447 -13.370 617 HD2 HIS 76 HD2 HIS 76 1.166 9.793 -13.443 618 HE1 HIS 76 HE1 HIS 76 5.110 8.409 -14.034 619 H TRP 77 HN TRP 77 0.235 5.999 -9.637 620 HA TRP 77 HA TRP 77 2.286 7.821 -8.417 621 HB2 TRP 77 HB2 TRP 77 -0.687 7.638 -8.203 622 HB3 TRP 77 HB1 TRP 77 0.209 8.201 -6.803 623 HD1 TRP 77 HD1 TRP 77 -0.029 8.992 -10.585 624 HE1 TRP 77 HE1 TRP 77 0.338 11.526 -10.894 625 HE3 TRP 77 HE3 TRP 77 0.905 10.343 -5.751 626 HZ2 TRP 77 HZ2 TRP 77 0.947 13.822 -9.298 627 HZ3 TRP 77 HZ3 TRP 77 1.374 12.706 -5.172 628 HH2 TRP 77 HH2 TRP 77 1.397 14.446 -6.938 629 H THR 78 HN THR 78 3.299 5.566 -8.094 630 HA THR 78 HA THR 78 2.460 3.604 -6.320 631 HB THR 78 HB THR 78 5.276 4.562 -5.960 632 HG1 THR 78 HG1 THR 78 4.048 4.406 -8.383 633 HG21 THR 78 HG21 THR 78 4.420 2.303 -5.273 634 HG22 THR 78 HG22 THR 78 5.817 2.259 -6.340 635 HG23 THR 78 HG23 THR 78 4.210 1.934 -6.979 636 H LEU 79 HN LEU 79 3.390 3.422 -3.957 637 HA LEU 79 HA LEU 79 2.257 5.598 -2.445 638 HB2 LEU 79 HB2 LEU 79 4.254 3.775 -1.138 639 HB3 LEU 79 HB1 LEU 79 2.716 4.365 -0.542 640 HG LEU 79 HG LEU 79 2.351 2.115 -0.937 641 HD11 LEU 79 HD11 LEU 79 0.782 3.878 -2.169 642 HD12 LEU 79 HD12 LEU 79 0.515 2.148 -2.307 643 HD13 LEU 79 HD13 LEU 79 1.345 3.006 -3.595 644 HD21 LEU 79 HD21 LEU 79 2.984 1.583 -3.646 645 HD22 LEU 79 HD22 LEU 79 3.741 0.920 -2.204 646 HD23 LEU 79 HD23 LEU 79 4.398 2.371 -2.943 647 H ASP 80 HN ASP 80 5.555 4.511 -3.060 648 HA ASP 80 HA ASP 80 6.834 6.624 -1.663 649 HB2 ASP 80 HB2 ASP 80 8.378 5.070 -2.340 650 HB3 ASP 80 HB1 ASP 80 7.569 4.739 -3.854 651 H LYS 81 HN LYS 81 5.403 6.436 -4.898 652 HA LYS 81 HA LYS 81 6.378 8.912 -5.908 653 HB2 LYS 81 HB2 LYS 81 4.138 7.144 -6.510 654 HB3 LYS 81 HB1 LYS 81 3.661 8.813 -6.724 655 HG2 LYS 81 HG2 LYS 81 4.510 8.284 -8.823 656 HG3 LYS 81 HG1 LYS 81 5.896 9.028 -8.075 657 HD2 LYS 81 HD2 LYS 81 7.115 7.128 -8.393 658 HD3 LYS 81 HD1 LYS 81 5.972 6.217 -7.425 659 HE2 LYS 81 HE2 LYS 81 6.090 5.226 -9.643 660 HE3 LYS 81 HE1 LYS 81 4.507 5.982 -9.407 661 HZ1 LYS 81 HZ1 LYS 81 6.308 6.482 -11.440 662 HZ2 LYS 81 HZ2 LYS 81 6.365 7.853 -10.438 663 HZ3 LYS 81 HZ3 LYS 81 4.885 7.340 -11.097 664 H TYR 82 HN TYR 82 3.624 8.224 -3.832 665 HA TYR 82 HA TYR 82 2.919 11.035 -3.525 666 HB2 TYR 82 HB2 TYR 82 1.924 8.440 -2.589 667 HB3 TYR 82 HB1 TYR 82 1.924 9.609 -1.275 668 HD1 TYR 82 HD2 TYR 82 1.142 12.093 -2.162 669 HD2 TYR 82 HD1 TYR 82 -0.083 8.309 -3.788 670 HE1 TYR 82 HE2 TYR 82 -0.906 13.148 -3.077 671 HE2 TYR 82 HE1 TYR 82 -2.131 9.365 -4.701 672 HH TYR 82 HH TYR 82 -3.424 11.217 -4.645 673 H GLY 83 HN GLY 83 5.258 8.897 -2.202 674 HA2 GLY 83 HA2 GLY 83 7.147 9.596 -0.880 675 HA3 GLY 83 HA1 GLY 83 6.271 11.070 -0.442 676 H ILE 84 HN ILE 84 5.141 7.777 -0.405 677 HA ILE 84 HA ILE 84 4.261 8.101 2.413 678 HB ILE 84 HB ILE 84 3.561 6.413 0.065 679 HG12 ILE 84 HG12 ILE 84 1.787 7.369 2.315 680 HG13 ILE 84 HG11 ILE 84 2.265 8.423 0.983 681 HG21 ILE 84 HG21 ILE 84 2.273 4.849 1.658 682 HG22 ILE 84 HG22 ILE 84 3.402 5.393 2.892 683 HG23 ILE 84 HG23 ILE 84 4.002 4.571 1.452 684 HD11 ILE 84 HD11 ILE 84 1.054 5.707 0.458 685 HD12 ILE 84 HD12 ILE 84 1.151 7.095 -0.625 686 HD13 ILE 84 HD13 ILE 84 0.036 7.118 0.740 687 H GLN 85 HN GLN 85 4.819 6.644 4.041 688 HA GLN 85 HA GLN 85 7.134 4.815 3.538 689 HB2 GLN 85 HB2 GLN 85 6.716 6.717 5.868 690 HB3 GLN 85 HB1 GLN 85 7.969 5.476 5.805 691 HG2 GLN 85 HG2 GLN 85 9.080 6.525 3.997 692 HG3 GLN 85 HG1 GLN 85 7.679 7.528 3.618 693 HE21 GLN 85 HE21 GLN 85 8.511 9.625 3.992 694 HE22 GLN 85 HE22 GLN 85 9.173 10.128 5.472 695 H ALA 86 HN ALA 86 7.178 3.959 6.295 696 HA ALA 86 HA ALA 86 4.878 2.145 6.229 697 HB1 ALA 86 HB1 ALA 86 7.362 1.707 7.013 698 HB2 ALA 86 HB2 ALA 86 6.024 0.903 7.832 699 HB3 ALA 86 HB3 ALA 86 6.777 2.327 8.554 700 H ASP 87 HN ASP 87 5.337 5.258 7.283 701 HA ASP 87 HA ASP 87 3.702 5.038 9.734 702 HB2 ASP 87 HB2 ASP 87 5.643 6.675 9.441 703 HB3 ASP 87 HB1 ASP 87 4.597 7.560 8.331 704 H ALA 88 HN ALA 88 3.050 4.773 6.654 705 HA ALA 88 HA ALA 88 0.654 6.550 6.590 706 HB1 ALA 88 HB1 ALA 88 0.556 6.052 4.232 707 HB2 ALA 88 HB2 ALA 88 1.731 4.748 4.406 708 HB3 ALA 88 HB3 ALA 88 2.236 6.425 4.625 709 H LYS 89 HN LYS 89 -1.152 5.653 7.438 710 HA LYS 89 HA LYS 89 -1.514 2.698 7.370 711 HB2 LYS 89 HB2 LYS 89 -2.705 4.965 8.961 712 HB3 LYS 89 HB1 LYS 89 -3.636 3.499 8.764 713 HG2 LYS 89 HG2 LYS 89 -2.305 3.392 10.827 714 HG3 LYS 89 HG1 LYS 89 -1.790 2.161 9.682 715 HD2 LYS 89 HD2 LYS 89 0.154 3.286 10.697 716 HD3 LYS 89 HD1 LYS 89 0.083 3.591 8.964 717 HE2 LYS 89 HE2 LYS 89 0.531 5.599 10.568 718 HE3 LYS 89 HE1 LYS 89 -0.623 5.810 9.255 719 HZ1 LYS 89 HZ1 LYS 89 -1.493 4.892 11.922 720 HZ2 LYS 89 HZ2 LYS 89 -2.418 5.611 10.692 721 HZ3 LYS 89 HZ3 LYS 89 -1.312 6.544 11.583 722 H LEU 90 HN LEU 90 -2.454 2.037 5.463 723 HA LEU 90 HA LEU 90 -4.264 3.855 4.021 724 HB2 LEU 90 HB2 LEU 90 -3.374 1.034 3.406 725 HB3 LEU 90 HB1 LEU 90 -4.269 2.092 2.318 726 HG LEU 90 HG LEU 90 -1.557 2.748 3.494 727 HD11 LEU 90 HD11 LEU 90 -2.305 1.768 0.724 728 HD12 LEU 90 HD12 LEU 90 -1.407 0.856 1.937 729 HD13 LEU 90 HD13 LEU 90 -0.698 2.301 1.217 730 HD21 LEU 90 HD21 LEU 90 -2.475 4.823 2.954 731 HD22 LEU 90 HD22 LEU 90 -3.462 4.168 1.646 732 HD23 LEU 90 HD23 LEU 90 -1.730 4.395 1.415 733 H GLN 91 HN GLN 91 -6.218 2.796 3.103 734 HA GLN 91 HA GLN 91 -7.648 1.111 5.028 735 HB2 GLN 91 HB2 GLN 91 -9.099 3.338 3.712 736 HB3 GLN 91 HB1 GLN 91 -9.552 2.410 5.109 737 HG2 GLN 91 HG2 GLN 91 -8.000 3.489 6.518 738 HG3 GLN 91 HG1 GLN 91 -7.115 4.187 5.173 739 HE21 GLN 91 HE21 GLN 91 -10.667 4.105 5.605 740 HE22 GLN 91 HE22 GLN 91 -10.857 5.790 5.650 741 H PHE 92 HN PHE 92 -9.723 0.370 3.893 742 HA PHE 92 HA PHE 92 -9.237 -0.165 1.004 743 HB2 PHE 92 HB2 PHE 92 -8.890 -2.122 2.668 744 HB3 PHE 92 HB1 PHE 92 -10.604 -2.100 2.820 745 HD1 PHE 92 HD1 PHE 92 -7.836 -2.587 0.444 746 HD2 PHE 92 HD2 PHE 92 -12.054 -2.951 1.122 747 HE1 PHE 92 HE1 PHE 92 -8.049 -3.985 -1.597 748 HE2 PHE 92 HE2 PHE 92 -12.264 -4.351 -0.908 749 HZ PHE 92 HZ PHE 92 -10.256 -4.875 -2.260 750 H THR 93 HN THR 93 -11.115 -0.222 -0.192 751 HA THR 93 HA THR 93 -13.722 -0.043 1.017 752 HB THR 93 HB THR 93 -13.231 2.155 1.623 753 HG1 THR 93 HG1 THR 93 -14.192 3.365 -0.357 754 HG21 THR 93 HG21 THR 93 -12.200 3.734 -0.114 755 HG22 THR 93 HG22 THR 93 -11.820 2.286 -1.038 756 HG23 THR 93 HG23 THR 93 -11.145 2.502 0.580 757 HA PRO 94 HA PRO 94 -14.581 -1.284 -3.156 758 HB2 PRO 94 HB2 PRO 94 -17.280 -1.028 -3.288 759 HB3 PRO 94 HB1 PRO 94 -16.501 -2.259 -2.272 760 HG2 PRO 94 HG2 PRO 94 -17.620 0.401 -1.489 761 HG3 PRO 94 HG1 PRO 94 -17.777 -1.168 -0.677 762 HD2 PRO 94 HD2 PRO 94 -15.968 0.749 0.114 763 HD3 PRO 94 HD1 PRO 94 -15.708 -0.994 0.355 Start of MODEL 12 1 H MET 1 HT1 MET 1 36.079 -2.420 3.243 2 HA MET 1 HA MET 1 34.105 -0.806 4.760 3 HB2 MET 1 HB2 MET 1 35.057 -0.714 1.885 4 HB3 MET 1 HB1 MET 1 33.668 0.181 2.501 5 HG2 MET 1 HG2 MET 1 35.024 1.473 3.971 6 HG3 MET 1 HG1 MET 1 36.409 0.410 3.746 7 HE1 MET 1 HE1 MET 1 38.150 3.115 1.917 8 HE2 MET 1 HE2 MET 1 38.248 1.670 2.921 9 HE3 MET 1 HE3 MET 1 37.368 3.080 3.503 10 H ALA 2 HN ALA 2 32.246 -0.914 2.631 11 HA ALA 2 HA ALA 2 30.745 -2.323 1.488 12 HB1 ALA 2 HB1 ALA 2 31.165 -4.571 1.108 13 HB2 ALA 2 HB2 ALA 2 31.907 -4.821 2.685 14 HB3 ALA 2 HB3 ALA 2 32.802 -3.992 1.412 15 H LEU 3 HN LEU 3 29.310 -1.360 2.950 16 HA LEU 3 HA LEU 3 28.792 -2.074 5.605 17 HB2 LEU 3 HB2 LEU 3 26.647 -1.449 3.562 18 HB3 LEU 3 HB1 LEU 3 26.623 -1.119 5.286 19 HG LEU 3 HG LEU 3 28.427 0.166 3.223 20 HD11 LEU 3 HD11 LEU 3 26.326 1.239 3.152 21 HD12 LEU 3 HD12 LEU 3 27.284 2.248 4.232 22 HD13 LEU 3 HD13 LEU 3 26.103 1.120 4.897 23 HD21 LEU 3 HD21 LEU 3 29.806 -0.039 5.122 24 HD22 LEU 3 HD22 LEU 3 28.464 0.196 6.240 25 HD23 LEU 3 HD23 LEU 3 29.094 1.561 5.317 26 H ASP 4 HN ASP 4 26.621 -3.146 3.032 27 HA ASP 4 HA ASP 4 26.252 -5.721 4.483 28 HB2 ASP 4 HB2 ASP 4 24.265 -4.259 3.800 29 HB3 ASP 4 HB1 ASP 4 24.628 -4.745 2.142 30 H GLY 5 HN GLY 5 26.474 -4.638 1.109 31 HA2 GLY 5 HA2 GLY 5 28.591 -6.425 0.442 32 HA3 GLY 5 HA1 GLY 5 27.055 -7.190 0.038 33 H ILE 6 HN ILE 6 25.777 -4.532 -0.596 34 HA ILE 6 HA ILE 6 27.014 -4.222 -3.290 35 HB ILE 6 HB ILE 6 24.292 -3.238 -2.480 36 HG12 ILE 6 HG12 ILE 6 25.222 -6.057 -3.076 37 HG13 ILE 6 HG11 ILE 6 24.144 -5.503 -1.803 38 HG21 ILE 6 HG21 ILE 6 25.317 -4.336 -5.115 39 HG22 ILE 6 HG22 ILE 6 25.425 -2.628 -4.692 40 HG23 ILE 6 HG23 ILE 6 23.848 -3.403 -4.838 41 HD11 ILE 6 HD11 ILE 6 22.666 -4.775 -3.926 42 HD12 ILE 6 HD12 ILE 6 22.572 -6.385 -3.226 43 HD13 ILE 6 HD13 ILE 6 23.557 -6.105 -4.660 44 H ARG 7 HN ARG 7 25.090 -1.730 -3.071 45 HA ARG 7 HA ARG 7 26.670 0.144 -1.497 46 HB2 ARG 7 HB2 ARG 7 27.992 -0.338 -3.591 47 HB3 ARG 7 HB1 ARG 7 26.673 0.354 -4.511 48 HG2 ARG 7 HG2 ARG 7 28.079 2.209 -4.242 49 HG3 ARG 7 HG1 ARG 7 26.934 2.408 -2.913 50 HD2 ARG 7 HD2 ARG 7 28.886 2.630 -1.696 51 HD3 ARG 7 HD1 ARG 7 28.790 0.870 -1.676 52 HE ARG 7 HE ARG 7 30.621 0.791 -3.175 53 HH11 ARG 7 HH21 ARG 7 29.271 3.949 -2.877 54 HH12 ARG 7 HH22 ARG 7 30.547 4.723 -3.756 55 HH21 ARG 7 HH11 ARG 7 32.294 1.780 -4.322 56 HH22 ARG 7 HH12 ARG 7 32.262 3.494 -4.573 57 H MET 8 HN MET 8 24.226 -0.557 -3.793 58 HA MET 8 HA MET 8 22.946 2.073 -3.621 59 HB2 MET 8 HB2 MET 8 21.113 0.534 -4.876 60 HB3 MET 8 HB1 MET 8 22.521 1.151 -5.724 61 HG2 MET 8 HG2 MET 8 23.640 -0.907 -5.612 62 HG3 MET 8 HG1 MET 8 22.648 -1.478 -4.269 63 HE1 MET 8 HE1 MET 8 22.475 -0.169 -7.934 64 HE2 MET 8 HE2 MET 8 21.842 -1.603 -8.738 65 HE3 MET 8 HE3 MET 8 23.373 -1.692 -7.872 66 HA PRO 9 HA PRO 9 20.266 1.093 -0.210 67 HB2 PRO 9 HB2 PRO 9 17.871 1.150 -2.017 68 HB3 PRO 9 HB1 PRO 9 18.140 2.004 -0.482 69 HG2 PRO 9 HG2 PRO 9 18.311 3.356 -2.704 70 HG3 PRO 9 HG1 PRO 9 19.579 3.557 -1.476 71 HD2 PRO 9 HD2 PRO 9 19.661 1.908 -3.982 72 HD3 PRO 9 HD1 PRO 9 20.886 3.037 -3.352 73 H ASP 10 HN ASP 10 21.128 -1.018 -2.305 74 HA ASP 10 HA ASP 10 19.180 -3.161 -1.527 75 HB2 ASP 10 HB2 ASP 10 19.351 -2.677 -3.995 76 HB3 ASP 10 HB1 ASP 10 21.045 -3.146 -3.909 77 H GLY 11 HN GLY 11 21.552 -1.939 -0.201 78 HA2 GLY 11 HA2 GLY 11 22.643 -4.176 1.058 79 HA3 GLY 11 HA1 GLY 11 23.743 -3.794 -0.266 80 H CYS 12 HN CYS 12 23.030 -0.913 -0.100 81 HA CYS 12 HA CYS 12 25.101 -0.109 1.697 82 HB2 CYS 12 HB2 CYS 12 24.818 1.576 0.175 83 HB3 CYS 12 HB1 CYS 12 23.098 1.256 -0.021 84 HG CYS 12 HG CYS 12 23.123 2.473 2.572 85 H TYR 13 HN TYR 13 21.733 1.001 2.010 86 HA TYR 13 HA TYR 13 21.998 1.237 4.890 87 HB2 TYR 13 HB2 TYR 13 19.713 1.546 2.937 88 HB3 TYR 13 HB1 TYR 13 19.443 1.632 4.676 89 HD1 TYR 13 HD1 TYR 13 20.740 3.331 6.043 90 HD2 TYR 13 HD2 TYR 13 20.647 3.387 1.749 91 HE1 TYR 13 HE1 TYR 13 21.518 5.684 6.057 92 HE2 TYR 13 HE2 TYR 13 21.425 5.743 1.763 93 HH TYR 13 HH TYR 13 21.473 7.643 4.607 94 H ALA 14 HN ALA 14 19.650 0.252 5.919 95 HA ALA 14 HA ALA 14 20.229 -2.603 6.042 96 HB1 ALA 14 HB1 ALA 14 18.260 -2.617 7.622 97 HB2 ALA 14 HB2 ALA 14 18.089 -0.887 7.321 98 HB3 ALA 14 HB3 ALA 14 19.553 -1.509 8.084 99 H ASP 15 HN ASP 15 16.906 -1.596 6.031 100 HA ASP 15 HA ASP 15 16.314 -3.522 3.904 101 HB2 ASP 15 HB2 ASP 15 14.743 -1.895 5.881 102 HB3 ASP 15 HB1 ASP 15 13.917 -2.522 4.463 103 H GLY 16 HN GLY 16 16.529 -0.080 4.367 104 HA2 GLY 16 HA2 GLY 16 16.286 1.710 2.857 105 HA3 GLY 16 HA1 GLY 16 16.791 0.547 1.629 106 H THR 17 HN THR 17 14.076 -0.470 3.348 107 HA THR 17 HA THR 17 12.179 0.611 1.281 108 HB THR 17 HB THR 17 11.080 -1.684 1.382 109 HG1 THR 17 HG1 THR 17 13.524 -2.225 2.701 110 HG21 THR 17 HG21 THR 17 13.919 -1.872 0.386 111 HG22 THR 17 HG22 THR 17 12.738 -0.843 -0.417 112 HG23 THR 17 HG23 THR 17 12.467 -2.582 -0.310 113 H TRP 18 HN TRP 18 9.806 -0.226 2.136 114 HA TRP 18 HA TRP 18 9.672 -0.060 5.086 115 HB2 TRP 18 HB2 TRP 18 7.852 1.838 4.742 116 HB3 TRP 18 HB1 TRP 18 9.549 2.245 4.911 117 HD1 TRP 18 HD1 TRP 18 10.659 3.533 2.999 118 HE1 TRP 18 HE1 TRP 18 9.865 4.410 0.698 119 HE3 TRP 18 HE3 TRP 18 6.174 1.098 2.588 120 HZ2 TRP 18 HZ2 TRP 18 7.649 4.151 -1.038 121 HZ3 TRP 18 HZ3 TRP 18 4.764 1.446 0.569 122 HH2 TRP 18 HH2 TRP 18 5.490 2.961 -1.223 123 H GLU 19 HN GLU 19 7.006 0.209 5.518 124 HA GLU 19 HA GLU 19 5.716 -1.783 3.721 125 HB2 GLU 19 HB2 GLU 19 4.650 -2.808 5.652 126 HB3 GLU 19 HB1 GLU 19 6.395 -2.862 5.853 127 HG2 GLU 19 HG2 GLU 19 4.554 -0.802 7.104 128 HG3 GLU 19 HG1 GLU 19 5.260 -2.178 7.943 129 H LEU 20 HN LEU 20 3.330 -1.818 4.601 130 HA LEU 20 HA LEU 20 2.262 0.925 4.935 131 HB2 LEU 20 HB2 LEU 20 2.343 -0.584 2.461 132 HB3 LEU 20 HB1 LEU 20 0.660 -0.369 2.948 133 HG LEU 20 HG LEU 20 1.403 1.471 1.506 134 HD11 LEU 20 HD11 LEU 20 -0.073 1.751 3.744 135 HD12 LEU 20 HD12 LEU 20 0.317 3.111 2.692 136 HD13 LEU 20 HD13 LEU 20 1.255 2.838 4.158 137 HD21 LEU 20 HD21 LEU 20 3.839 1.220 2.555 138 HD22 LEU 20 HD22 LEU 20 3.271 2.519 3.601 139 HD23 LEU 20 HD23 LEU 20 3.299 2.741 1.854 140 H SER 21 HN SER 21 0.069 0.916 5.676 141 HA SER 21 HA SER 21 -0.918 -1.701 6.698 142 HB2 SER 21 HB2 SER 21 -1.964 -0.193 8.537 143 HB3 SER 21 HB1 SER 21 -0.252 -0.577 8.632 144 HG SER 21 HG SER 21 0.036 1.446 7.400 145 H VAL 22 HN VAL 22 -2.895 -2.222 6.202 146 HA VAL 22 HA VAL 22 -4.664 -0.183 4.922 147 HB VAL 22 HB VAL 22 -4.075 -3.029 4.210 148 HG11 VAL 22 HG11 VAL 22 -6.842 -1.811 3.916 149 HG12 VAL 22 HG12 VAL 22 -6.436 -3.282 4.801 150 HG13 VAL 22 HG13 VAL 22 -6.286 -3.239 3.047 151 HG21 VAL 22 HG21 VAL 22 -3.306 -1.118 2.858 152 HG22 VAL 22 HG22 VAL 22 -4.977 -0.590 2.650 153 HG23 VAL 22 HG23 VAL 22 -4.441 -2.119 1.949 154 H HIS 23 HN HIS 23 -6.848 -0.456 5.269 155 HA HIS 23 HA HIS 23 -7.735 -1.748 7.797 156 HB2 HIS 23 HB2 HIS 23 -7.165 0.999 7.520 157 HB3 HIS 23 HB1 HIS 23 -8.911 0.932 7.418 158 HD1 HIS 23 HD1 HIS 23 -6.247 1.092 9.838 159 HD2 HIS 23 HD2 HIS 23 -10.005 -0.712 9.743 160 HE1 HIS 23 HE1 HIS 23 -6.865 0.595 12.244 161 H VAL 24 HN VAL 24 -9.546 -2.902 7.303 162 HA VAL 24 HA VAL 24 -11.025 -2.230 4.876 163 HB VAL 24 HB VAL 24 -11.777 -4.441 6.740 164 HG11 VAL 24 HG11 VAL 24 -12.740 -5.439 4.843 165 HG12 VAL 24 HG12 VAL 24 -11.749 -4.521 3.725 166 HG13 VAL 24 HG13 VAL 24 -13.072 -3.729 4.578 167 HG21 VAL 24 HG21 VAL 24 -9.356 -4.224 4.963 168 HG22 VAL 24 HG22 VAL 24 -10.149 -5.790 5.137 169 HG23 VAL 24 HG23 VAL 24 -9.513 -4.965 6.554 170 H THR 25 HN THR 25 -12.364 -0.498 5.120 171 HA THR 25 HA THR 25 -13.844 -0.113 7.619 172 HB THR 25 HB THR 25 -14.960 1.724 6.182 173 HG1 THR 25 HG1 THR 25 -14.381 0.782 4.188 174 HG21 THR 25 HG21 THR 25 -11.963 1.719 6.626 175 HG22 THR 25 HG22 THR 25 -13.190 2.226 7.787 176 HG23 THR 25 HG23 THR 25 -12.931 3.160 6.314 177 H ASP 26 HN ASP 26 -16.292 0.055 7.512 178 HA ASP 26 HA ASP 26 -18.379 -0.869 6.990 179 HB2 ASP 26 HB2 ASP 26 -17.467 -0.267 4.570 180 HB3 ASP 26 HB1 ASP 26 -17.315 -2.016 4.412 181 H VAL 27 HN VAL 27 -15.447 -2.684 6.937 182 HA VAL 27 HA VAL 27 -16.957 -5.214 7.544 183 HB VAL 27 HB VAL 27 -14.084 -5.046 6.629 184 HG11 VAL 27 HG11 VAL 27 -14.937 -7.120 7.754 185 HG12 VAL 27 HG12 VAL 27 -14.428 -7.395 6.089 186 HG13 VAL 27 HG13 VAL 27 -16.142 -7.267 6.476 187 HG21 VAL 27 HG21 VAL 27 -15.373 -4.039 4.846 188 HG22 VAL 27 HG22 VAL 27 -16.615 -5.284 4.977 189 HG23 VAL 27 HG23 VAL 27 -15.015 -5.697 4.363 190 H ASN 28 HN ASN 28 -14.457 -2.962 8.419 191 HA ASN 28 HA ASN 28 -13.587 -2.423 10.483 192 HB2 ASN 28 HB2 ASN 28 -15.952 -3.385 11.062 193 HB3 ASN 28 HB1 ASN 28 -15.020 -4.694 11.773 194 HD21 ASN 28 HD21 ASN 28 -13.706 -4.214 13.668 195 HD22 ASN 28 HD22 ASN 28 -13.854 -2.749 14.512 196 H ARG 29 HN ARG 29 -12.595 -4.847 8.759 197 HA ARG 29 HA ARG 29 -10.838 -6.028 10.910 198 HB2 ARG 29 HB2 ARG 29 -10.157 -7.648 9.021 199 HB3 ARG 29 HB1 ARG 29 -11.742 -7.879 9.754 200 HG2 ARG 29 HG2 ARG 29 -12.680 -6.469 7.843 201 HG3 ARG 29 HG1 ARG 29 -11.093 -6.616 7.095 202 HD2 ARG 29 HD2 ARG 29 -12.335 -8.409 6.174 203 HD3 ARG 29 HD1 ARG 29 -11.346 -9.152 7.429 204 HE ARG 29 HE ARG 29 -13.734 -8.471 8.705 205 HH11 ARG 29 HH21 ARG 29 -12.719 -10.313 5.976 206 HH12 ARG 29 HH22 ARG 29 -14.012 -11.460 6.099 207 HH21 ARG 29 HH11 ARG 29 -15.429 -9.956 8.886 208 HH22 ARG 29 HH12 ARG 29 -15.548 -11.256 7.749 209 H ASP 30 HN ASP 30 -8.509 -6.522 9.673 210 HA ASP 30 HA ASP 30 -7.834 -4.233 7.932 211 HB2 ASP 30 HB2 ASP 30 -5.824 -3.854 9.720 212 HB3 ASP 30 HB1 ASP 30 -7.336 -2.950 9.773 213 H VAL 31 HN VAL 31 -5.918 -4.430 6.891 214 HA VAL 31 HA VAL 31 -4.301 -6.889 7.267 215 HB VAL 31 HB VAL 31 -5.465 -5.978 4.605 216 HG11 VAL 31 HG11 VAL 31 -4.535 -8.314 3.967 217 HG12 VAL 31 HG12 VAL 31 -3.585 -8.181 5.447 218 HG13 VAL 31 HG13 VAL 31 -3.387 -6.991 4.162 219 HG21 VAL 31 HG21 VAL 31 -6.770 -8.084 4.700 220 HG22 VAL 31 HG22 VAL 31 -7.193 -7.008 6.031 221 HG23 VAL 31 HG23 VAL 31 -6.141 -8.394 6.318 222 H THR 32 HN THR 32 -2.143 -6.495 6.082 223 HA THR 32 HA THR 32 -1.696 -3.588 5.542 224 HB THR 32 HB THR 32 0.369 -3.680 6.818 225 HG1 THR 32 HG1 THR 32 0.827 -5.562 8.021 226 HG21 THR 32 HG21 THR 32 -0.586 -3.507 8.933 227 HG22 THR 32 HG22 THR 32 -1.657 -4.881 8.665 228 HG23 THR 32 HG23 THR 32 -2.003 -3.332 7.899 229 H LEU 33 HN LEU 33 -0.147 -3.104 4.032 230 HA LEU 33 HA LEU 33 0.628 -5.380 2.283 231 HB2 LEU 33 HB2 LEU 33 0.362 -2.409 1.875 232 HB3 LEU 33 HB1 LEU 33 1.400 -3.329 0.799 233 HG LEU 33 HG LEU 33 -0.822 -3.068 -0.149 234 HD11 LEU 33 HD11 LEU 33 -1.013 -5.206 -0.960 235 HD12 LEU 33 HD12 LEU 33 -0.810 -5.958 0.613 236 HD13 LEU 33 HD13 LEU 33 0.592 -5.314 -0.245 237 HD21 LEU 33 HD21 LEU 33 -1.776 -3.266 2.419 238 HD22 LEU 33 HD22 LEU 33 -2.192 -4.846 1.762 239 HD23 LEU 33 HD23 LEU 33 -2.750 -3.381 0.961 240 H ARG 34 HN ARG 34 2.686 -5.787 1.828 241 HA ARG 34 HA ARG 34 4.804 -4.310 3.383 242 HB2 ARG 34 HB2 ARG 34 4.426 -6.935 3.583 243 HB3 ARG 34 HB1 ARG 34 5.251 -6.969 2.030 244 HG2 ARG 34 HG2 ARG 34 7.066 -7.162 3.480 245 HG3 ARG 34 HG1 ARG 34 7.009 -5.415 3.255 246 HD2 ARG 34 HD2 ARG 34 7.147 -5.611 5.588 247 HD3 ARG 34 HD1 ARG 34 5.408 -5.462 5.335 248 HE ARG 34 HE ARG 34 6.016 -8.221 5.244 249 HH11 ARG 34 HH21 ARG 34 6.163 -5.542 7.409 250 HH12 ARG 34 HH22 ARG 34 5.941 -6.507 8.830 251 HH21 ARG 34 HH11 ARG 34 5.725 -9.497 7.087 252 HH22 ARG 34 HH12 ARG 34 5.692 -8.746 8.648 253 H VAL 35 HN VAL 35 5.141 -2.642 1.829 254 HA VAL 35 HA VAL 35 6.331 -3.547 -0.737 255 HB VAL 35 HB VAL 35 4.815 -1.993 -1.973 256 HG11 VAL 35 HG11 VAL 35 3.225 -4.085 -0.489 257 HG12 VAL 35 HG12 VAL 35 4.441 -4.511 -1.692 258 HG13 VAL 35 HG13 VAL 35 3.037 -3.560 -2.159 259 HG21 VAL 35 HG21 VAL 35 3.919 -0.479 -0.438 260 HG22 VAL 35 HG22 VAL 35 3.643 -1.709 0.788 261 HG23 VAL 35 HG23 VAL 35 2.575 -1.604 -0.604 262 H THR 36 HN THR 36 6.523 -1.351 -2.133 263 HA THR 36 HA THR 36 7.749 0.784 -0.452 264 HB THR 36 HB THR 36 9.642 0.817 -2.169 265 HG1 THR 36 HG1 THR 36 9.916 -1.026 -3.363 266 HG21 THR 36 HG21 THR 36 10.400 0.013 -0.133 267 HG22 THR 36 HG22 THR 36 10.616 -1.427 -1.127 268 HG23 THR 36 HG23 THR 36 9.211 -1.290 -0.078 269 H GLY 37 HN GLY 37 8.479 2.578 -2.110 270 HA2 GLY 37 HA2 GLY 37 6.191 3.675 -3.334 271 HA3 GLY 37 HA1 GLY 37 7.832 4.191 -3.663 272 H GLU 38 HN GLU 38 7.478 0.909 -4.319 273 HA GLU 38 HA GLU 38 7.452 1.480 -7.235 274 HB2 GLU 38 HB2 GLU 38 8.540 -0.655 -7.462 275 HB3 GLU 38 HB1 GLU 38 9.291 0.174 -6.102 276 HG2 GLU 38 HG2 GLU 38 8.916 -1.917 -5.148 277 HG3 GLU 38 HG1 GLU 38 7.443 -1.066 -4.676 278 H VAL 39 HN VAL 39 5.452 0.062 -4.781 279 HA VAL 39 HA VAL 39 4.037 -1.758 -6.551 280 HB VAL 39 HB VAL 39 4.074 -2.093 -4.129 281 HG11 VAL 39 HG11 VAL 39 2.236 0.287 -3.907 282 HG12 VAL 39 HG12 VAL 39 3.975 0.446 -3.717 283 HG13 VAL 39 HG13 VAL 39 3.060 -0.572 -2.618 284 HG21 VAL 39 HG21 VAL 39 1.717 -2.603 -3.834 285 HG22 VAL 39 HG22 VAL 39 2.155 -2.926 -5.510 286 HG23 VAL 39 HG23 VAL 39 1.268 -1.459 -5.099 287 H HIS 40 HN HIS 40 2.341 -1.354 -7.828 288 HA HIS 40 HA HIS 40 1.509 1.390 -8.311 289 HB2 HIS 40 HB2 HIS 40 0.712 -1.312 -9.392 290 HB3 HIS 40 HB1 HIS 40 -0.187 0.136 -9.826 291 HD1 HIS 40 HD1 HIS 40 2.419 2.010 -9.843 292 HD2 HIS 40 HD2 HIS 40 1.947 -1.563 -11.939 293 HE1 HIS 40 HE1 HIS 40 4.052 2.093 -11.778 294 H ILE 41 HN ILE 41 -0.584 2.270 -7.839 295 HA ILE 41 HA ILE 41 -1.825 1.431 -5.414 296 HB ILE 41 HB ILE 41 -3.194 2.836 -7.724 297 HG12 ILE 41 HG12 ILE 41 -1.487 4.007 -5.504 298 HG13 ILE 41 HG11 ILE 41 -1.005 3.891 -7.190 299 HG21 ILE 41 HG21 ILE 41 -4.687 3.672 -6.087 300 HG22 ILE 41 HG22 ILE 41 -3.611 3.236 -4.757 301 HG23 ILE 41 HG23 ILE 41 -4.477 1.981 -5.640 302 HD11 ILE 41 HD11 ILE 41 -2.351 6.028 -6.013 303 HD12 ILE 41 HD12 ILE 41 -3.608 5.195 -6.924 304 HD13 ILE 41 HD13 ILE 41 -2.144 5.742 -7.736 305 H GLY 42 HN GLY 42 -2.663 0.948 -8.815 306 HA2 GLY 42 HA2 GLY 42 -4.776 -0.949 -8.327 307 HA3 GLY 42 HA1 GLY 42 -3.898 -0.746 -9.855 308 H GLY 43 HN GLY 43 -1.574 -1.064 -7.557 309 HA2 GLY 43 HA2 GLY 43 -1.300 -4.008 -8.032 310 HA3 GLY 43 HA1 GLY 43 0.048 -2.902 -7.737 311 H VAL 44 HN VAL 44 -1.486 -1.425 -5.711 312 HA VAL 44 HA VAL 44 -0.663 -2.848 -3.383 313 HB VAL 44 HB VAL 44 -2.371 -0.467 -4.025 314 HG11 VAL 44 HG11 VAL 44 -3.786 -1.396 -2.352 315 HG12 VAL 44 HG12 VAL 44 -2.799 -0.205 -1.507 316 HG13 VAL 44 HG13 VAL 44 -2.418 -1.921 -1.376 317 HG21 VAL 44 HG21 VAL 44 -0.034 -0.076 -3.742 318 HG22 VAL 44 HG22 VAL 44 0.013 -0.980 -2.229 319 HG23 VAL 44 HG23 VAL 44 -0.832 0.563 -2.308 320 H MET 45 HN MET 45 -3.786 -2.501 -5.038 321 HA MET 45 HA MET 45 -5.267 -4.160 -3.229 322 HB2 MET 45 HB2 MET 45 -6.277 -4.435 -5.944 323 HB3 MET 45 HB1 MET 45 -6.979 -3.560 -4.591 324 HG2 MET 45 HG2 MET 45 -5.581 -1.606 -5.103 325 HG3 MET 45 HG1 MET 45 -4.849 -2.477 -6.448 326 HE1 MET 45 HE1 MET 45 -7.955 0.376 -7.008 327 HE2 MET 45 HE2 MET 45 -6.415 0.289 -6.159 328 HE3 MET 45 HE3 MET 45 -7.888 -0.249 -5.356 329 H LEU 46 HN LEU 46 -3.403 -4.911 -6.162 330 HA LEU 46 HA LEU 46 -4.056 -7.720 -6.067 331 HB2 LEU 46 HB2 LEU 46 -1.582 -6.457 -7.267 332 HB3 LEU 46 HB1 LEU 46 -2.298 -8.009 -7.701 333 HG LEU 46 HG LEU 46 -3.701 -5.340 -8.004 334 HD11 LEU 46 HD11 LEU 46 -2.606 -7.055 -10.238 335 HD12 LEU 46 HD12 LEU 46 -1.642 -5.779 -9.497 336 HD13 LEU 46 HD13 LEU 46 -3.153 -5.381 -10.313 337 HD21 LEU 46 HD21 LEU 46 -5.124 -6.853 -9.579 338 HD22 LEU 46 HD22 LEU 46 -5.372 -7.002 -7.842 339 HD23 LEU 46 HD23 LEU 46 -4.399 -8.198 -8.699 340 H LYS 47 HN LYS 47 -1.048 -6.002 -5.201 341 HA LYS 47 HA LYS 47 0.237 -8.141 -3.962 342 HB2 LYS 47 HB2 LYS 47 1.108 -5.767 -4.305 343 HB3 LYS 47 HB1 LYS 47 0.238 -5.327 -2.850 344 HG2 LYS 47 HG2 LYS 47 2.326 -5.860 -1.956 345 HG3 LYS 47 HG1 LYS 47 1.473 -7.396 -1.804 346 HD2 LYS 47 HD2 LYS 47 3.429 -8.135 -2.836 347 HD3 LYS 47 HD1 LYS 47 2.452 -7.801 -4.263 348 HE2 LYS 47 HE2 LYS 47 4.295 -6.579 -4.885 349 HE3 LYS 47 HE1 LYS 47 3.562 -5.339 -3.867 350 HZ1 LYS 47 HZ1 LYS 47 4.850 -6.493 -1.991 351 HZ2 LYS 47 HZ2 LYS 47 5.713 -5.504 -3.070 352 HZ3 LYS 47 HZ3 LYS 47 5.767 -7.195 -3.233 353 H LEU 48 HN LEU 48 -2.485 -6.265 -2.871 354 HA LEU 48 HA LEU 48 -2.447 -7.433 -0.176 355 HB2 LEU 48 HB2 LEU 48 -3.228 -5.197 -0.291 356 HB3 LEU 48 HB1 LEU 48 -4.267 -5.539 -1.649 357 HG LEU 48 HG LEU 48 -5.785 -6.792 -0.299 358 HD11 LEU 48 HD11 LEU 48 -5.219 -6.855 2.280 359 HD12 LEU 48 HD12 LEU 48 -3.556 -6.698 1.724 360 HD13 LEU 48 HD13 LEU 48 -4.529 -8.066 1.210 361 HD21 LEU 48 HD21 LEU 48 -6.173 -4.428 -0.121 362 HD22 LEU 48 HD22 LEU 48 -4.850 -4.229 1.017 363 HD23 LEU 48 HD23 LEU 48 -6.304 -5.065 1.519 364 H VAL 49 HN VAL 49 -4.627 -7.542 -3.026 365 HA VAL 49 HA VAL 49 -6.271 -9.608 -1.974 366 HB VAL 49 HB VAL 49 -5.554 -8.894 -4.819 367 HG11 VAL 49 HG11 VAL 49 -7.368 -11.049 -3.744 368 HG12 VAL 49 HG12 VAL 49 -6.162 -11.170 -5.022 369 HG13 VAL 49 HG13 VAL 49 -7.671 -10.307 -5.312 370 HG21 VAL 49 HG21 VAL 49 -7.773 -7.899 -4.824 371 HG22 VAL 49 HG22 VAL 49 -6.889 -7.301 -3.408 372 HG23 VAL 49 HG23 VAL 49 -8.096 -8.576 -3.225 373 H GLU 50 HN GLU 50 -3.274 -9.658 -3.811 374 HA GLU 50 HA GLU 50 -3.016 -12.466 -4.105 375 HB2 GLU 50 HB2 GLU 50 -0.972 -10.258 -3.797 376 HB3 GLU 50 HB1 GLU 50 -0.516 -11.937 -4.092 377 HG2 GLU 50 HG2 GLU 50 -1.884 -11.962 -6.129 378 HG3 GLU 50 HG1 GLU 50 -2.370 -10.303 -5.838 379 H LYS 51 HN LYS 51 -2.163 -10.280 -1.402 380 HA LYS 51 HA LYS 51 -0.904 -12.293 0.198 381 HB2 LYS 51 HB2 LYS 51 -2.034 -9.572 0.609 382 HB3 LYS 51 HB1 LYS 51 -1.911 -10.560 2.049 383 HG2 LYS 51 HG2 LYS 51 0.490 -10.965 1.554 384 HG3 LYS 51 HG1 LYS 51 0.345 -9.955 0.120 385 HD2 LYS 51 HD2 LYS 51 1.300 -8.666 1.982 386 HD3 LYS 51 HD1 LYS 51 -0.276 -8.028 1.525 387 HE2 LYS 51 HE2 LYS 51 0.293 -8.435 4.073 388 HE3 LYS 51 HE1 LYS 51 -1.312 -8.819 3.459 389 HZ1 LYS 51 HZ1 LYS 51 -0.649 -11.111 3.202 390 HZ2 LYS 51 HZ2 LYS 51 -0.371 -10.613 4.802 391 HZ3 LYS 51 HZ3 LYS 51 0.927 -10.754 3.715 392 H LEU 52 HN LEU 52 -4.257 -10.959 0.527 393 HA LEU 52 HA LEU 52 -5.276 -13.662 0.940 394 HB2 LEU 52 HB2 LEU 52 -6.357 -12.640 3.233 395 HB3 LEU 52 HB1 LEU 52 -4.939 -13.677 3.196 396 HG LEU 52 HG LEU 52 -4.262 -10.841 2.722 397 HD11 LEU 52 HD11 LEU 52 -4.543 -10.303 5.208 398 HD12 LEU 52 HD12 LEU 52 -5.715 -11.621 5.231 399 HD13 LEU 52 HD13 LEU 52 -5.976 -10.225 4.185 400 HD21 LEU 52 HD21 LEU 52 -2.749 -12.844 3.310 401 HD22 LEU 52 HD22 LEU 52 -3.340 -12.646 4.958 402 HD23 LEU 52 HD23 LEU 52 -2.453 -11.337 4.179 403 H ASP 53 HN ASP 53 -7.534 -13.766 0.585 404 HA ASP 53 HA ASP 53 -9.401 -11.685 0.824 405 HB2 ASP 53 HB2 ASP 53 -7.607 -11.349 -1.457 406 HB3 ASP 53 HB1 ASP 53 -9.268 -11.455 -1.999 407 H VAL 54 HN VAL 54 -8.316 -14.473 -1.003 408 HA VAL 54 HA VAL 54 -9.465 -16.375 -1.708 409 HB VAL 54 HB VAL 54 -11.917 -15.353 -0.267 410 HG11 VAL 54 HG11 VAL 54 -12.340 -17.731 0.049 411 HG12 VAL 54 HG12 VAL 54 -10.786 -18.134 -0.681 412 HG13 VAL 54 HG13 VAL 54 -12.061 -17.413 -1.663 413 HG21 VAL 54 HG21 VAL 54 -9.341 -16.475 0.852 414 HG22 VAL 54 HG22 VAL 54 -10.872 -16.722 1.692 415 HG23 VAL 54 HG23 VAL 54 -10.273 -15.088 1.417 416 H LYS 55 HN LYS 55 -9.369 -15.490 -3.864 417 HA LYS 55 HA LYS 55 -10.270 -14.667 -5.877 418 HB2 LYS 55 HB2 LYS 55 -12.601 -16.252 -4.770 419 HB3 LYS 55 HB1 LYS 55 -12.402 -15.786 -6.456 420 HG2 LYS 55 HG2 LYS 55 -10.177 -17.290 -5.088 421 HG3 LYS 55 HG1 LYS 55 -11.600 -18.178 -5.622 422 HD2 LYS 55 HD2 LYS 55 -10.252 -16.287 -7.545 423 HD3 LYS 55 HD1 LYS 55 -9.540 -17.872 -7.257 424 HE2 LYS 55 HE2 LYS 55 -12.384 -17.350 -8.180 425 HE3 LYS 55 HE1 LYS 55 -11.067 -17.960 -9.179 426 HZ1 LYS 55 HZ1 LYS 55 -10.909 -19.772 -7.383 427 HZ2 LYS 55 HZ2 LYS 55 -12.157 -19.870 -8.532 428 HZ3 LYS 55 HZ3 LYS 55 -12.483 -19.295 -6.967 429 H LYS 56 HN LYS 56 -10.710 -12.799 -3.581 430 HA LYS 56 HA LYS 56 -13.413 -11.748 -3.976 431 HB2 LYS 56 HB2 LYS 56 -11.572 -11.522 -1.945 432 HB3 LYS 56 HB1 LYS 56 -11.366 -9.968 -2.741 433 HG2 LYS 56 HG2 LYS 56 -13.087 -9.515 -1.212 434 HG3 LYS 56 HG1 LYS 56 -13.988 -9.878 -2.683 435 HD2 LYS 56 HD2 LYS 56 -15.106 -11.264 -1.179 436 HD3 LYS 56 HD1 LYS 56 -13.865 -12.377 -1.763 437 HE2 LYS 56 HE2 LYS 56 -13.685 -12.616 0.561 438 HE3 LYS 56 HE1 LYS 56 -12.442 -11.410 0.225 439 HZ1 LYS 56 HZ1 LYS 56 -15.217 -10.858 1.131 440 HZ2 LYS 56 HZ2 LYS 56 -14.058 -9.675 0.754 441 HZ3 LYS 56 HZ3 LYS 56 -13.813 -10.718 2.072 442 H ASP 57 HN ASP 57 -13.871 -9.681 -4.896 443 HA ASP 57 HA ASP 57 -12.907 -9.250 -7.470 444 HB2 ASP 57 HB2 ASP 57 -13.766 -6.912 -5.784 445 HB3 ASP 57 HB1 ASP 57 -14.163 -7.284 -7.464 446 H TRP 58 HN TRP 58 -11.438 -7.664 -8.358 447 HA TRP 58 HA TRP 58 -9.190 -6.955 -6.534 448 HB2 TRP 58 HB2 TRP 58 -9.213 -7.191 -9.546 449 HB3 TRP 58 HB1 TRP 58 -7.817 -6.975 -8.506 450 HD1 TRP 58 HD1 TRP 58 -6.813 -9.075 -7.343 451 HE1 TRP 58 HE1 TRP 58 -7.343 -11.596 -7.454 452 HE3 TRP 58 HE3 TRP 58 -11.251 -8.932 -9.863 453 HZ2 TRP 58 HZ2 TRP 58 -9.380 -13.324 -8.481 454 HZ3 TRP 58 HZ3 TRP 58 -12.464 -11.027 -10.396 455 HH2 TRP 58 HH2 TRP 58 -11.534 -13.221 -9.710 456 H SER 59 HN SER 59 -10.156 -5.671 -9.709 457 HA SER 59 HA SER 59 -9.501 -2.969 -8.834 458 HB2 SER 59 HB2 SER 59 -9.124 -3.869 -11.168 459 HB3 SER 59 HB1 SER 59 -10.868 -3.797 -11.404 460 HG SER 59 HG SER 59 -9.756 -1.514 -10.348 461 H ASP 60 HN ASP 60 -12.136 -4.746 -8.103 462 HA ASP 60 HA ASP 60 -14.175 -2.702 -8.720 463 HB2 ASP 60 HB2 ASP 60 -14.505 -5.296 -8.667 464 HB3 ASP 60 HB1 ASP 60 -14.633 -5.078 -6.923 465 H HIS 61 HN HIS 61 -12.640 -4.071 -5.759 466 HA HIS 61 HA HIS 61 -14.076 -2.208 -4.063 467 HB2 HIS 61 HB2 HIS 61 -12.373 -2.980 -2.328 468 HB3 HIS 61 HB1 HIS 61 -13.426 -4.216 -3.006 469 HD1 HIS 61 HD1 HIS 61 -11.774 -6.133 -2.723 470 HD2 HIS 61 HD2 HIS 61 -10.242 -2.977 -4.967 471 HE1 HIS 61 HE1 HIS 61 -9.603 -6.942 -3.710 472 H ALA 62 HN ALA 62 -12.473 -0.893 -2.430 473 HA ALA 62 HA ALA 62 -10.381 0.518 -4.030 474 HB1 ALA 62 HB1 ALA 62 -12.860 1.812 -2.871 475 HB2 ALA 62 HB2 ALA 62 -12.405 1.740 -4.577 476 HB3 ALA 62 HB3 ALA 62 -11.457 2.711 -3.448 477 H LEU 63 HN LEU 63 -9.021 1.942 -2.674 478 HA LEU 63 HA LEU 63 -9.077 1.124 0.175 479 HB2 LEU 63 HB2 LEU 63 -6.897 2.586 -1.314 480 HB3 LEU 63 HB1 LEU 63 -6.775 1.848 0.272 481 HG LEU 63 HG LEU 63 -5.727 0.327 -1.185 482 HD11 LEU 63 HD11 LEU 63 -8.507 -0.783 -1.027 483 HD12 LEU 63 HD12 LEU 63 -7.480 -0.594 0.397 484 HD13 LEU 63 HD13 LEU 63 -6.980 -1.656 -0.920 485 HD21 LEU 63 HD21 LEU 63 -6.330 -0.214 -3.362 486 HD22 LEU 63 HD22 LEU 63 -6.998 1.421 -3.268 487 HD23 LEU 63 HD23 LEU 63 -8.052 0.026 -3.050 488 H TRP 64 HN TRP 64 -9.934 2.555 1.617 489 HA TRP 64 HA TRP 64 -10.251 5.369 0.770 490 HB2 TRP 64 HB2 TRP 64 -11.731 3.681 2.451 491 HB3 TRP 64 HB1 TRP 64 -10.898 4.712 3.589 492 HD1 TRP 64 HD1 TRP 64 -12.462 5.588 0.147 493 HE1 TRP 64 HE1 TRP 64 -14.095 7.548 0.483 494 HE3 TRP 64 HE3 TRP 64 -12.124 6.162 5.210 495 HZ2 TRP 64 HZ2 TRP 64 -15.128 9.146 2.613 496 HZ3 TRP 64 HZ3 TRP 64 -13.447 7.910 6.366 497 HH2 TRP 64 HH2 TRP 64 -14.947 9.402 5.074 498 H TRP 65 HN TRP 65 -8.854 6.961 1.375 499 HA TRP 65 HA TRP 65 -6.554 6.187 3.107 500 HB2 TRP 65 HB2 TRP 65 -6.293 7.207 0.769 501 HB3 TRP 65 HB1 TRP 65 -6.856 8.715 1.475 502 HD1 TRP 65 HD1 TRP 65 -5.036 7.379 4.238 503 HE1 TRP 65 HE1 TRP 65 -2.583 8.139 4.263 504 HE3 TRP 65 HE3 TRP 65 -4.587 9.085 -0.557 505 HZ2 TRP 65 HZ2 TRP 65 -0.676 9.329 2.497 506 HZ3 TRP 65 HZ3 TRP 65 -2.443 10.035 -1.354 507 HH2 TRP 65 HH2 TRP 65 -0.489 10.161 0.166 508 H GLU 66 HN GLU 66 -6.781 6.779 5.238 509 HA GLU 66 HA GLU 66 -8.739 8.628 6.188 510 HB2 GLU 66 HB2 GLU 66 -7.368 8.589 8.312 511 HB3 GLU 66 HB1 GLU 66 -7.829 6.996 7.712 512 HG2 GLU 66 HG2 GLU 66 -5.648 6.679 6.711 513 HG3 GLU 66 HG1 GLU 66 -5.175 8.327 7.117 514 H LYS 67 HN LYS 67 -5.555 9.132 4.855 515 HA LYS 67 HA LYS 67 -4.800 11.555 6.067 516 HB2 LYS 67 HB2 LYS 67 -3.367 10.371 4.517 517 HB3 LYS 67 HB1 LYS 67 -4.492 10.699 3.195 518 HG2 LYS 67 HG2 LYS 67 -4.102 13.040 3.308 519 HG3 LYS 67 HG1 LYS 67 -3.246 12.896 4.846 520 HD2 LYS 67 HD2 LYS 67 -1.471 11.602 3.756 521 HD3 LYS 67 HD1 LYS 67 -2.340 11.714 2.232 522 HE2 LYS 67 HE2 LYS 67 -0.826 13.485 2.016 523 HE3 LYS 67 HE1 LYS 67 -2.228 14.313 2.694 524 HZ1 LYS 67 HZ1 LYS 67 -0.940 14.923 4.370 525 HZ2 LYS 67 HZ2 LYS 67 0.351 13.972 3.809 526 HZ3 LYS 67 HZ3 LYS 67 -0.819 13.298 4.840 527 H LYS 68 HN LYS 68 -6.726 11.175 3.078 528 HA LYS 68 HA LYS 68 -8.014 13.818 3.660 529 HB2 LYS 68 HB2 LYS 68 -8.004 14.206 1.161 530 HB3 LYS 68 HB1 LYS 68 -6.416 14.291 1.919 531 HG2 LYS 68 HG2 LYS 68 -6.132 11.829 1.293 532 HG3 LYS 68 HG1 LYS 68 -7.574 12.017 0.303 533 HD2 LYS 68 HD2 LYS 68 -5.008 13.610 0.047 534 HD3 LYS 68 HD1 LYS 68 -5.574 12.366 -1.066 535 HE2 LYS 68 HE2 LYS 68 -6.735 15.106 -0.572 536 HE3 LYS 68 HE1 LYS 68 -6.232 14.385 -2.099 537 HZ1 LYS 68 HZ1 LYS 68 -8.665 13.890 -0.528 538 HZ2 LYS 68 HZ2 LYS 68 -8.051 12.654 -1.519 539 HZ3 LYS 68 HZ3 LYS 68 -8.495 14.148 -2.196 540 H ARG 69 HN ARG 69 -8.768 11.035 4.086 541 HA ARG 69 HA ARG 69 -10.457 9.482 3.582 542 HB2 ARG 69 HB2 ARG 69 -12.691 10.488 3.889 543 HB3 ARG 69 HB1 ARG 69 -11.544 11.004 5.114 544 HG2 ARG 69 HG2 ARG 69 -11.951 12.672 2.636 545 HG3 ARG 69 HG1 ARG 69 -13.103 12.776 3.956 546 HD2 ARG 69 HD2 ARG 69 -11.662 13.966 5.270 547 HD3 ARG 69 HD1 ARG 69 -10.289 12.941 4.861 548 HE ARG 69 HE ARG 69 -10.763 14.427 2.555 549 HH11 ARG 69 HH21 ARG 69 -10.170 15.029 5.899 550 HH12 ARG 69 HH22 ARG 69 -9.380 16.545 5.621 551 HH21 ARG 69 HH11 ARG 69 -9.736 16.401 2.174 552 HH22 ARG 69 HH12 ARG 69 -9.135 17.322 3.512 553 H THR 70 HN THR 70 -9.243 9.835 1.214 554 HA THR 70 HA THR 70 -11.504 10.141 -0.743 555 HB THR 70 HB THR 70 -9.515 11.756 -0.958 556 HG1 THR 70 HG1 THR 70 -9.348 11.067 -3.311 557 HG21 THR 70 HG21 THR 70 -7.852 9.826 -0.480 558 HG22 THR 70 HG22 THR 70 -7.441 10.954 -1.773 559 HG23 THR 70 HG23 THR 70 -8.109 9.371 -2.164 560 H TRP 71 HN TRP 71 -10.228 8.850 -2.866 561 HA TRP 71 HA TRP 71 -9.759 6.081 -1.852 562 HB2 TRP 71 HB2 TRP 71 -11.127 6.561 -4.480 563 HB3 TRP 71 HB1 TRP 71 -11.253 5.197 -3.390 564 HD1 TRP 71 HD1 TRP 71 -12.144 8.972 -3.245 565 HE1 TRP 71 HE1 TRP 71 -14.421 9.199 -2.062 566 HE3 TRP 71 HE3 TRP 71 -13.103 4.058 -2.210 567 HZ2 TRP 71 HZ2 TRP 71 -16.393 7.525 -0.846 568 HZ3 TRP 71 HZ3 TRP 71 -15.191 3.407 -1.044 569 HH2 TRP 71 HH2 TRP 71 -16.835 5.132 -0.361 570 H LEU 72 HN LEU 72 -8.369 4.814 -3.198 571 HA LEU 72 HA LEU 72 -6.622 6.421 -5.031 572 HB2 LEU 72 HB2 LEU 72 -5.791 3.728 -3.984 573 HB3 LEU 72 HB1 LEU 72 -4.812 5.151 -4.341 574 HG LEU 72 HG LEU 72 -6.728 4.964 -2.012 575 HD11 LEU 72 HD11 LEU 72 -4.820 4.613 -0.622 576 HD12 LEU 72 HD12 LEU 72 -3.722 4.788 -1.991 577 HD13 LEU 72 HD13 LEU 72 -4.797 3.392 -1.891 578 HD21 LEU 72 HD21 LEU 72 -5.282 6.964 -1.296 579 HD22 LEU 72 HD22 LEU 72 -6.410 7.254 -2.619 580 HD23 LEU 72 HD23 LEU 72 -4.699 7.002 -2.958 581 H LEU 73 HN LEU 73 -7.099 6.037 -7.127 582 HA LEU 73 HA LEU 73 -8.261 3.394 -7.895 583 HB2 LEU 73 HB2 LEU 73 -8.404 6.064 -9.311 584 HB3 LEU 73 HB1 LEU 73 -9.206 4.587 -9.806 585 HG LEU 73 HG LEU 73 -10.834 5.950 -8.676 586 HD11 LEU 73 HD11 LEU 73 -11.673 4.395 -7.146 587 HD12 LEU 73 HD12 LEU 73 -10.072 3.967 -6.544 588 HD13 LEU 73 HD13 LEU 73 -10.596 3.409 -8.134 589 HD21 LEU 73 HD21 LEU 73 -8.767 7.041 -7.246 590 HD22 LEU 73 HD22 LEU 73 -9.474 5.984 -6.028 591 HD23 LEU 73 HD23 LEU 73 -10.463 7.211 -6.807 592 H LYS 74 HN LYS 74 -6.654 5.876 -9.849 593 HA LYS 74 HA LYS 74 -5.544 4.010 -11.598 594 HB2 LYS 74 HB2 LYS 74 -4.533 5.792 -12.706 595 HB3 LYS 74 HB1 LYS 74 -5.971 6.465 -11.959 596 HG2 LYS 74 HG2 LYS 74 -3.324 6.625 -10.515 597 HG3 LYS 74 HG1 LYS 74 -3.713 7.759 -11.783 598 HD2 LYS 74 HD2 LYS 74 -4.451 8.840 -9.852 599 HD3 LYS 74 HD1 LYS 74 -5.918 8.179 -10.514 600 HE2 LYS 74 HE2 LYS 74 -6.271 7.001 -8.605 601 HE3 LYS 74 HE1 LYS 74 -4.684 6.260 -8.717 602 HZ1 LYS 74 HZ1 LYS 74 -4.617 9.020 -7.934 603 HZ2 LYS 74 HZ2 LYS 74 -3.836 7.675 -7.249 604 HZ3 LYS 74 HZ3 LYS 74 -5.446 8.028 -6.837 605 H THR 75 HN THR 75 -3.490 3.306 -12.032 606 HA THR 75 HA THR 75 -1.829 2.780 -9.671 607 HB THR 75 HB THR 75 -1.922 0.925 -11.127 608 HG1 THR 75 HG1 THR 75 0.156 0.831 -12.052 609 HG21 THR 75 HG21 THR 75 -3.023 1.793 -13.017 610 HG22 THR 75 HG22 THR 75 -1.449 1.306 -13.642 611 HG23 THR 75 HG23 THR 75 -1.775 3.007 -13.306 612 H HIS 76 HN HIS 76 -1.853 4.772 -12.535 613 HA HIS 76 HA HIS 76 0.739 5.667 -12.853 614 HB2 HIS 76 HB2 HIS 76 -1.387 6.385 -14.084 615 HB3 HIS 76 HB1 HIS 76 -1.608 7.561 -12.787 616 HD1 HIS 76 HD1 HIS 76 1.787 6.638 -14.144 617 HD2 HIS 76 HD2 HIS 76 -0.908 9.810 -14.358 618 HE1 HIS 76 HE1 HIS 76 3.015 8.545 -15.271 619 H TRP 77 HN TRP 77 -1.203 6.121 -10.062 620 HA TRP 77 HA TRP 77 0.665 8.225 -9.019 621 HB2 TRP 77 HB2 TRP 77 -2.205 7.902 -8.897 622 HB3 TRP 77 HB1 TRP 77 -1.565 7.938 -7.266 623 HD1 TRP 77 HD1 TRP 77 -0.707 10.186 -6.330 624 HE1 TRP 77 HE1 TRP 77 -0.619 12.595 -7.242 625 HE3 TRP 77 HE3 TRP 77 -1.889 9.321 -11.223 626 HZ2 TRP 77 HZ2 TRP 77 -0.999 13.974 -9.719 627 HZ3 TRP 77 HZ3 TRP 77 -2.020 11.199 -12.834 628 HH2 TRP 77 HH2 TRP 77 -1.577 13.522 -12.089 629 H THR 78 HN THR 78 1.989 6.133 -8.871 630 HA THR 78 HA THR 78 1.605 4.061 -7.065 631 HB THR 78 HB THR 78 4.314 5.355 -7.010 632 HG1 THR 78 HG1 THR 78 2.862 4.979 -9.274 633 HG21 THR 78 HG21 THR 78 3.396 2.570 -7.737 634 HG22 THR 78 HG22 THR 78 3.895 3.075 -6.125 635 HG23 THR 78 HG23 THR 78 5.054 3.080 -7.451 636 H LEU 79 HN LEU 79 2.888 3.937 -4.911 637 HA LEU 79 HA LEU 79 1.690 5.699 -3.027 638 HB2 LEU 79 HB2 LEU 79 3.959 3.738 -2.987 639 HB3 LEU 79 HB1 LEU 79 3.582 4.678 -1.551 640 HG LEU 79 HG LEU 79 1.364 3.801 -1.482 641 HD11 LEU 79 HD11 LEU 79 0.684 2.050 -3.196 642 HD12 LEU 79 HD12 LEU 79 2.049 2.588 -4.157 643 HD13 LEU 79 HD13 LEU 79 0.737 3.705 -3.781 644 HD21 LEU 79 HD21 LEU 79 1.933 1.245 -1.497 645 HD22 LEU 79 HD22 LEU 79 2.816 2.295 -0.392 646 HD23 LEU 79 HD23 LEU 79 3.569 1.775 -1.901 647 H ASP 80 HN ASP 80 5.043 5.376 -4.091 648 HA ASP 80 HA ASP 80 5.987 7.690 -2.771 649 HB2 ASP 80 HB2 ASP 80 7.761 6.505 -3.585 650 HB3 ASP 80 HB1 ASP 80 6.892 5.945 -4.994 651 H LYS 81 HN LYS 81 4.409 7.275 -5.933 652 HA LYS 81 HA LYS 81 4.804 9.865 -6.977 653 HB2 LYS 81 HB2 LYS 81 2.827 7.750 -7.345 654 HB3 LYS 81 HB1 LYS 81 2.077 9.322 -7.513 655 HG2 LYS 81 HG2 LYS 81 2.776 8.902 -9.689 656 HG3 LYS 81 HG1 LYS 81 4.106 9.854 -9.090 657 HD2 LYS 81 HD2 LYS 81 5.552 8.150 -9.543 658 HD3 LYS 81 HD1 LYS 81 4.669 7.096 -8.458 659 HE2 LYS 81 HE2 LYS 81 4.690 6.092 -10.665 660 HE3 LYS 81 HE1 LYS 81 3.050 6.622 -10.273 661 HZ1 LYS 81 HZ1 LYS 81 3.156 7.660 -12.233 662 HZ2 LYS 81 HZ2 LYS 81 4.850 7.566 -12.317 663 HZ3 LYS 81 HZ3 LYS 81 4.108 8.809 -11.428 664 H TYR 82 HN TYR 82 2.413 8.758 -4.640 665 HA TYR 82 HA TYR 82 1.352 11.460 -4.257 666 HB2 TYR 82 HB2 TYR 82 0.556 8.806 -3.561 667 HB3 TYR 82 HB1 TYR 82 0.768 9.652 -2.033 668 HD1 TYR 82 HD1 TYR 82 -0.053 12.344 -2.452 669 HD2 TYR 82 HD2 TYR 82 -1.701 8.775 -4.188 670 HE1 TYR 82 HE1 TYR 82 -2.218 13.505 -2.785 671 HE2 TYR 82 HE2 TYR 82 -3.866 9.938 -4.521 672 HH TYR 82 HH TYR 82 -4.206 13.376 -3.995 673 H GLY 83 HN GLY 83 4.007 9.607 -3.129 674 HA2 GLY 83 HA2 GLY 83 5.844 10.471 -1.840 675 HA3 GLY 83 HA1 GLY 83 4.831 11.838 -1.350 676 H ILE 84 HN ILE 84 4.145 8.421 -1.333 677 HA ILE 84 HA ILE 84 3.200 8.617 1.468 678 HB ILE 84 HB ILE 84 2.820 6.781 -0.853 679 HG12 ILE 84 HG12 ILE 84 0.888 7.503 1.352 680 HG13 ILE 84 HG11 ILE 84 1.221 8.590 0.005 681 HG21 ILE 84 HG21 ILE 84 2.628 5.824 2.000 682 HG22 ILE 84 HG22 ILE 84 3.588 5.126 0.696 683 HG23 ILE 84 HG23 ILE 84 1.829 5.031 0.644 684 HD11 ILE 84 HD11 ILE 84 -0.783 7.005 -0.268 685 HD12 ILE 84 HD12 ILE 84 0.408 5.715 -0.436 686 HD13 ILE 84 HD13 ILE 84 0.379 7.045 -1.593 687 H GLN 85 HN GLN 85 4.004 7.428 3.161 688 HA GLN 85 HA GLN 85 6.530 5.880 2.751 689 HB2 GLN 85 HB2 GLN 85 5.940 7.910 4.930 690 HB3 GLN 85 HB1 GLN 85 7.352 6.852 4.895 691 HG2 GLN 85 HG2 GLN 85 8.243 7.907 2.975 692 HG3 GLN 85 HG1 GLN 85 6.698 8.655 2.572 693 HE21 GLN 85 HE21 GLN 85 6.889 10.878 2.908 694 HE22 GLN 85 HE22 GLN 85 7.643 11.597 4.247 695 H ALA 86 HN ALA 86 6.782 5.260 5.539 696 HA ALA 86 HA ALA 86 4.674 3.227 5.757 697 HB1 ALA 86 HB1 ALA 86 6.087 3.053 8.107 698 HB2 ALA 86 HB2 ALA 86 7.280 3.805 7.049 699 HB3 ALA 86 HB3 ALA 86 6.570 2.253 6.614 700 H ASP 87 HN ASP 87 4.886 6.450 6.529 701 HA ASP 87 HA ASP 87 3.390 6.291 9.069 702 HB2 ASP 87 HB2 ASP 87 5.159 8.073 8.493 703 HB3 ASP 87 HB1 ASP 87 3.933 8.773 7.437 704 H ALA 88 HN ALA 88 2.627 5.678 6.073 705 HA ALA 88 HA ALA 88 0.079 7.220 5.960 706 HB1 ALA 88 HB1 ALA 88 1.673 6.940 3.956 707 HB2 ALA 88 HB2 ALA 88 -0.038 6.614 3.673 708 HB3 ALA 88 HB3 ALA 88 1.093 5.276 3.882 709 H LYS 89 HN LYS 89 -1.616 6.262 6.971 710 HA LYS 89 HA LYS 89 -1.718 3.291 7.187 711 HB2 LYS 89 HB2 LYS 89 -3.031 5.585 8.633 712 HB3 LYS 89 HB1 LYS 89 -3.838 4.035 8.613 713 HG2 LYS 89 HG2 LYS 89 -2.414 4.230 10.606 714 HG3 LYS 89 HG1 LYS 89 -1.845 2.944 9.548 715 HD2 LYS 89 HD2 LYS 89 0.037 4.313 10.359 716 HD3 LYS 89 HD1 LYS 89 -0.135 4.450 8.613 717 HE2 LYS 89 HE2 LYS 89 0.217 6.626 9.993 718 HE3 LYS 89 HE1 LYS 89 -1.028 6.622 8.748 719 HZ1 LYS 89 HZ1 LYS 89 -2.708 6.410 10.320 720 HZ2 LYS 89 HZ2 LYS 89 -1.635 7.511 11.043 721 HZ3 LYS 89 HZ3 LYS 89 -1.652 5.886 11.538 722 H LEU 90 HN LEU 90 -2.655 2.410 5.350 723 HA LEU 90 HA LEU 90 -4.719 3.931 3.905 724 HB2 LEU 90 HB2 LEU 90 -3.552 1.192 3.383 725 HB3 LEU 90 HB1 LEU 90 -4.590 2.102 2.286 726 HG LEU 90 HG LEU 90 -1.923 3.085 3.326 727 HD11 LEU 90 HD11 LEU 90 -1.195 2.680 0.934 728 HD12 LEU 90 HD12 LEU 90 -2.695 1.780 0.706 729 HD13 LEU 90 HD13 LEU 90 -1.497 1.219 1.873 730 HD21 LEU 90 HD21 LEU 90 -2.358 4.605 1.176 731 HD22 LEU 90 HD22 LEU 90 -3.047 5.033 2.740 732 HD23 LEU 90 HD23 LEU 90 -4.044 4.228 1.530 733 H GLN 91 HN GLN 91 -6.599 2.610 3.150 734 HA GLN 91 HA GLN 91 -7.719 0.834 5.188 735 HB2 GLN 91 HB2 GLN 91 -9.460 2.958 4.046 736 HB3 GLN 91 HB1 GLN 91 -9.697 1.986 5.471 737 HG2 GLN 91 HG2 GLN 91 -8.032 3.163 6.705 738 HG3 GLN 91 HG1 GLN 91 -7.457 4.004 5.274 739 HE21 GLN 91 HE21 GLN 91 -10.866 3.445 6.151 740 HE22 GLN 91 HE22 GLN 91 -11.255 5.083 6.323 741 H PHE 92 HN PHE 92 -9.831 -0.043 4.244 742 HA PHE 92 HA PHE 92 -9.615 -0.500 1.323 743 HB2 PHE 92 HB2 PHE 92 -9.321 -2.480 3.286 744 HB3 PHE 92 HB1 PHE 92 -10.991 -2.618 2.807 745 HD1 PHE 92 HD2 PHE 92 -10.459 -1.759 -0.190 746 HD2 PHE 92 HD1 PHE 92 -8.715 -4.651 2.462 747 HE1 PHE 92 HE2 PHE 92 -9.800 -3.119 -2.111 748 HE2 PHE 92 HE1 PHE 92 -8.109 -6.051 0.508 749 HZ PHE 92 HZ PHE 92 -8.640 -5.279 -1.778 750 H THR 93 HN THR 93 -11.705 -0.636 0.356 751 HA THR 93 HA THR 93 -14.075 -0.379 2.029 752 HB THR 93 HB THR 93 -13.485 1.827 2.370 753 HG1 THR 93 HG1 THR 93 -14.845 2.966 0.686 754 HG21 THR 93 HG21 THR 93 -11.631 1.985 0.848 755 HG22 THR 93 HG22 THR 93 -12.747 3.297 0.460 756 HG23 THR 93 HG23 THR 93 -12.695 1.863 -0.547 757 HA PRO 94 HA PRO 94 -15.254 -1.862 -2.118 758 HB2 PRO 94 HB2 PRO 94 -16.744 -3.973 -1.386 759 HB3 PRO 94 HB1 PRO 94 -14.973 -4.025 -1.279 760 HG2 PRO 94 HG2 PRO 94 -16.982 -3.627 0.886 761 HG3 PRO 94 HG1 PRO 94 -15.460 -4.535 0.914 762 HD2 PRO 94 HD2 PRO 94 -15.807 -1.916 1.892 763 HD3 PRO 94 HD1 PRO 94 -14.242 -2.675 1.526 Start of MODEL 13 1 H MET 1 HT1 MET 1 37.523 3.033 5.626 2 HA MET 1 HA MET 1 37.198 0.108 5.980 3 HB2 MET 1 HB2 MET 1 35.233 2.416 5.904 4 HB3 MET 1 HB1 MET 1 34.794 0.712 6.029 5 HG2 MET 1 HG2 MET 1 35.768 0.498 8.175 6 HG3 MET 1 HG1 MET 1 36.685 1.991 8.001 7 HE1 MET 1 HE1 MET 1 35.983 4.144 9.036 8 HE2 MET 1 HE2 MET 1 34.395 4.818 8.676 9 HE3 MET 1 HE3 MET 1 35.418 4.243 7.362 10 H ALA 2 HN ALA 2 34.925 0.010 4.306 11 HA ALA 2 HA ALA 2 35.405 1.203 1.732 12 HB1 ALA 2 HB1 ALA 2 37.294 -0.260 1.561 13 HB2 ALA 2 HB2 ALA 2 36.010 -0.965 0.576 14 HB3 ALA 2 HB3 ALA 2 36.360 -1.625 2.173 15 H LEU 3 HN LEU 3 33.278 0.488 3.663 16 HA LEU 3 HA LEU 3 31.530 -1.550 3.030 17 HB2 LEU 3 HB2 LEU 3 30.672 1.349 3.225 18 HB3 LEU 3 HB1 LEU 3 29.743 -0.068 3.682 19 HG LEU 3 HG LEU 3 32.227 1.020 5.022 20 HD11 LEU 3 HD11 LEU 3 29.367 0.583 5.909 21 HD12 LEU 3 HD12 LEU 3 30.201 2.125 5.713 22 HD13 LEU 3 HD13 LEU 3 30.679 1.022 7.003 23 HD21 LEU 3 HD21 LEU 3 32.574 -1.315 5.100 24 HD22 LEU 3 HD22 LEU 3 30.854 -1.657 5.284 25 HD23 LEU 3 HD23 LEU 3 31.766 -0.967 6.628 26 H ASP 4 HN ASP 4 31.452 1.579 1.475 27 HA ASP 4 HA ASP 4 30.736 2.306 -0.625 28 HB2 ASP 4 HB2 ASP 4 32.617 1.259 -1.543 29 HB3 ASP 4 HB1 ASP 4 32.034 -0.341 -1.120 30 H GLY 5 HN GLY 5 29.197 -0.103 1.035 31 HA2 GLY 5 HA2 GLY 5 27.342 -1.157 -0.853 32 HA3 GLY 5 HA1 GLY 5 27.046 -0.989 0.880 33 H ILE 6 HN ILE 6 27.758 1.921 0.548 34 HA ILE 6 HA ILE 6 25.266 3.127 0.625 35 HB ILE 6 HB ILE 6 27.745 4.338 -0.615 36 HG12 ILE 6 HG12 ILE 6 26.885 4.151 2.292 37 HG13 ILE 6 HG11 ILE 6 28.240 3.294 1.566 38 HG21 ILE 6 HG21 ILE 6 26.786 6.457 0.243 39 HG22 ILE 6 HG22 ILE 6 25.385 5.573 0.844 40 HG23 ILE 6 HG23 ILE 6 25.688 5.676 -0.888 41 HD11 ILE 6 HD11 ILE 6 29.233 5.522 0.951 42 HD12 ILE 6 HD12 ILE 6 29.120 5.244 2.689 43 HD13 ILE 6 HD13 ILE 6 27.951 6.291 1.886 44 H ARG 7 HN ARG 7 26.874 1.833 -2.118 45 HA ARG 7 HA ARG 7 25.397 3.377 -4.101 46 HB2 ARG 7 HB2 ARG 7 27.591 2.497 -4.675 47 HB3 ARG 7 HB1 ARG 7 27.079 0.874 -4.275 48 HG2 ARG 7 HG2 ARG 7 27.119 1.354 -6.742 49 HG3 ARG 7 HG1 ARG 7 25.564 0.787 -6.134 50 HD2 ARG 7 HD2 ARG 7 25.554 2.828 -7.715 51 HD3 ARG 7 HD1 ARG 7 24.618 2.939 -6.229 52 HE ARG 7 HE ARG 7 27.015 4.000 -5.459 53 HH11 ARG 7 HH21 ARG 7 24.947 4.473 -8.178 54 HH12 ARG 7 HH22 ARG 7 25.398 6.131 -8.398 55 HH21 ARG 7 HH11 ARG 7 27.616 6.158 -5.733 56 HH22 ARG 7 HH12 ARG 7 26.909 7.085 -7.014 57 H MET 8 HN MET 8 25.295 0.110 -2.809 58 HA MET 8 HA MET 8 22.675 -0.379 -4.159 59 HB2 MET 8 HB2 MET 8 23.394 -2.785 -3.043 60 HB3 MET 8 HB1 MET 8 23.886 -2.282 -4.653 61 HG2 MET 8 HG2 MET 8 26.007 -1.571 -3.899 62 HG3 MET 8 HG1 MET 8 25.489 -1.556 -2.217 63 HE1 MET 8 HE1 MET 8 28.215 -4.459 -3.377 64 HE2 MET 8 HE2 MET 8 28.127 -2.799 -2.794 65 HE3 MET 8 HE3 MET 8 27.716 -3.159 -4.468 66 HA PRO 9 HA PRO 9 20.316 -0.270 -0.408 67 HB2 PRO 9 HB2 PRO 9 19.916 -3.247 -0.585 68 HB3 PRO 9 HB1 PRO 9 18.715 -1.964 -0.322 69 HG2 PRO 9 HG2 PRO 9 18.912 -3.088 -2.689 70 HG3 PRO 9 HG1 PRO 9 18.726 -1.330 -2.556 71 HD2 PRO 9 HD2 PRO 9 21.190 -2.909 -3.180 72 HD3 PRO 9 HD1 PRO 9 20.648 -1.359 -3.858 73 H ASP 10 HN ASP 10 23.227 -1.806 -0.674 74 HA ASP 10 HA ASP 10 23.333 -3.038 1.982 75 HB2 ASP 10 HB2 ASP 10 25.452 -2.405 -0.078 76 HB3 ASP 10 HB1 ASP 10 25.821 -3.138 1.480 77 H GLY 11 HN GLY 11 22.756 -0.089 1.278 78 HA2 GLY 11 HA2 GLY 11 23.459 1.187 3.606 79 HA3 GLY 11 HA1 GLY 11 24.883 1.407 2.588 80 H CYS 12 HN CYS 12 23.051 1.290 0.180 81 HA CYS 12 HA CYS 12 22.790 4.042 -0.329 82 HB2 CYS 12 HB2 CYS 12 22.627 2.647 -2.217 83 HB3 CYS 12 HB1 CYS 12 21.434 1.603 -1.460 84 HG CYS 12 HG CYS 12 20.443 3.431 -3.279 85 H TYR 13 HN TYR 13 19.849 2.062 -0.045 86 HA TYR 13 HA TYR 13 18.633 4.264 1.598 87 HB2 TYR 13 HB2 TYR 13 17.745 3.549 -0.804 88 HB3 TYR 13 HB1 TYR 13 16.971 2.247 0.094 89 HD1 TYR 13 HD2 TYR 13 15.299 2.764 1.866 90 HD2 TYR 13 HD1 TYR 13 17.039 5.845 -0.569 91 HE1 TYR 13 HE2 TYR 13 13.517 4.332 2.578 92 HE2 TYR 13 HE1 TYR 13 15.256 7.414 0.144 93 HH TYR 13 HH TYR 13 12.620 6.883 1.108 94 H ALA 14 HN ALA 14 19.940 2.773 3.257 95 HA ALA 14 HA ALA 14 19.850 1.157 4.970 96 HB1 ALA 14 HB1 ALA 14 16.947 2.003 4.756 97 HB2 ALA 14 HB2 ALA 14 18.183 2.735 5.779 98 HB3 ALA 14 HB3 ALA 14 17.625 1.095 6.108 99 H ASP 15 HN ASP 15 16.682 0.074 4.627 100 HA ASP 15 HA ASP 15 17.642 -2.489 3.451 101 HB2 ASP 15 HB2 ASP 15 16.347 -2.346 5.673 102 HB3 ASP 15 HB1 ASP 15 14.932 -1.975 4.688 103 H GLY 16 HN GLY 16 15.807 0.289 2.673 104 HA2 GLY 16 HA2 GLY 16 14.511 0.841 0.791 105 HA3 GLY 16 HA1 GLY 16 15.463 -0.384 -0.040 106 H THR 17 HN THR 17 13.646 -1.382 2.712 107 HA THR 17 HA THR 17 11.404 -2.373 1.014 108 HB THR 17 HB THR 17 11.721 -4.598 2.429 109 HG1 THR 17 HG1 THR 17 13.588 -4.788 3.353 110 HG21 THR 17 HG21 THR 17 11.869 -4.918 0.134 111 HG22 THR 17 HG22 THR 17 13.520 -5.292 0.619 112 HG23 THR 17 HG23 THR 17 13.142 -3.713 -0.065 113 H TRP 18 HN TRP 18 9.457 -2.750 2.204 114 HA TRP 18 HA TRP 18 9.465 -2.566 5.109 115 HB2 TRP 18 HB2 TRP 18 7.849 -0.456 4.934 116 HB3 TRP 18 HB1 TRP 18 9.590 -0.255 5.058 117 HD1 TRP 18 HD1 TRP 18 10.752 1.032 3.191 118 HE1 TRP 18 HE1 TRP 18 10.022 2.019 0.913 119 HE3 TRP 18 HE3 TRP 18 6.100 -1.033 2.759 120 HZ2 TRP 18 HZ2 TRP 18 7.783 1.978 -0.809 121 HZ3 TRP 18 HZ3 TRP 18 4.703 -0.533 0.755 122 HH2 TRP 18 HH2 TRP 18 5.556 0.958 -1.013 123 H GLU 19 HN GLU 19 6.865 -1.985 5.680 124 HA GLU 19 HA GLU 19 5.264 -3.748 3.893 125 HB2 GLU 19 HB2 GLU 19 4.104 -4.620 5.842 126 HB3 GLU 19 HB1 GLU 19 5.827 -4.915 6.020 127 HG2 GLU 19 HG2 GLU 19 4.278 -2.648 7.302 128 HG3 GLU 19 HG1 GLU 19 4.858 -4.091 8.127 129 H LEU 20 HN LEU 20 2.912 -3.429 4.768 130 HA LEU 20 HA LEU 20 2.284 -0.559 5.158 131 HB2 LEU 20 HB2 LEU 20 2.102 -2.025 2.668 132 HB3 LEU 20 HB1 LEU 20 0.480 -1.549 3.172 133 HG LEU 20 HG LEU 20 1.528 0.159 1.732 134 HD11 LEU 20 HD11 LEU 20 0.749 1.970 2.926 135 HD12 LEU 20 HD12 LEU 20 1.512 1.464 4.427 136 HD13 LEU 20 HD13 LEU 20 0.036 0.670 3.879 137 HD21 LEU 20 HD21 LEU 20 3.582 1.127 2.141 138 HD22 LEU 20 HD22 LEU 20 3.870 -0.465 2.810 139 HD23 LEU 20 HD23 LEU 20 3.494 0.883 3.878 140 H SER 21 HN SER 21 0.140 -0.203 5.890 141 HA SER 21 HA SER 21 -1.273 -2.608 6.927 142 HB2 SER 21 HB2 SER 21 -2.066 -0.863 8.721 143 HB3 SER 21 HB1 SER 21 -0.483 -1.607 8.868 144 HG SER 21 HG SER 21 0.283 0.272 7.631 145 H VAL 22 HN VAL 22 -3.277 -2.809 6.334 146 HA VAL 22 HA VAL 22 -4.660 -0.493 5.058 147 HB VAL 22 HB VAL 22 -4.520 -3.386 4.305 148 HG11 VAL 22 HG11 VAL 22 -7.018 -1.702 3.989 149 HG12 VAL 22 HG12 VAL 22 -6.904 -3.258 4.814 150 HG13 VAL 22 HG13 VAL 22 -6.705 -3.164 3.066 151 HG21 VAL 22 HG21 VAL 22 -4.935 -0.793 2.788 152 HG22 VAL 22 HG22 VAL 22 -4.703 -2.375 2.050 153 HG23 VAL 22 HG23 VAL 22 -3.400 -1.643 2.990 154 H HIS 23 HN HIS 23 -6.861 -0.418 5.328 155 HA HIS 23 HA HIS 23 -8.025 -1.609 7.798 156 HB2 HIS 23 HB2 HIS 23 -7.015 1.009 7.616 157 HB3 HIS 23 HB1 HIS 23 -8.741 1.236 7.423 158 HD1 HIS 23 HD1 HIS 23 -10.251 0.695 9.456 159 HD2 HIS 23 HD2 HIS 23 -6.206 -0.013 10.175 160 HE1 HIS 23 HE1 HIS 23 -10.020 0.329 11.951 161 H VAL 24 HN VAL 24 -10.064 -2.352 7.342 162 HA VAL 24 HA VAL 24 -11.349 -1.414 4.865 163 HB VAL 24 HB VAL 24 -12.532 -3.540 6.596 164 HG11 VAL 24 HG11 VAL 24 -13.571 -2.575 4.438 165 HG12 VAL 24 HG12 VAL 24 -13.465 -4.329 4.567 166 HG13 VAL 24 HG13 VAL 24 -12.308 -3.454 3.585 167 HG21 VAL 24 HG21 VAL 24 -10.363 -4.421 6.526 168 HG22 VAL 24 HG22 VAL 24 -10.013 -3.723 4.948 169 HG23 VAL 24 HG23 VAL 24 -11.074 -5.126 5.081 170 H THR 25 HN THR 25 -12.788 0.187 4.929 171 HA THR 25 HA THR 25 -13.936 0.974 7.533 172 HB THR 25 HB THR 25 -14.871 2.876 6.077 173 HG1 THR 25 HG1 THR 25 -14.689 1.888 4.086 174 HG21 THR 25 HG21 THR 25 -12.921 3.214 7.476 175 HG22 THR 25 HG22 THR 25 -12.614 3.952 5.905 176 HG23 THR 25 HG23 THR 25 -11.891 2.394 6.303 177 H ASP 26 HN ASP 26 -15.179 0.151 4.270 178 HA ASP 26 HA ASP 26 -17.937 0.202 5.080 179 HB2 ASP 26 HB2 ASP 26 -16.984 0.307 2.698 180 HB3 ASP 26 HB1 ASP 26 -16.836 -1.447 2.801 181 H VAL 27 HN VAL 27 -15.793 -1.672 6.465 182 HA VAL 27 HA VAL 27 -17.734 -3.896 6.841 183 HB VAL 27 HB VAL 27 -14.822 -4.486 6.350 184 HG11 VAL 27 HG11 VAL 27 -17.269 -6.250 6.120 185 HG12 VAL 27 HG12 VAL 27 -16.332 -6.095 7.606 186 HG13 VAL 27 HG13 VAL 27 -15.582 -6.759 6.156 187 HG21 VAL 27 HG21 VAL 27 -17.124 -4.498 4.376 188 HG22 VAL 27 HG22 VAL 27 -15.559 -5.253 4.075 189 HG23 VAL 27 HG23 VAL 27 -15.668 -3.508 4.287 190 H ASN 28 HN ASN 28 -14.990 -2.038 7.928 191 HA ASN 28 HA ASN 28 -14.376 -1.464 10.084 192 HB2 ASN 28 HB2 ASN 28 -16.883 -2.146 10.420 193 HB3 ASN 28 HB1 ASN 28 -16.183 -3.521 11.259 194 HD21 ASN 28 HD21 ASN 28 -15.087 -0.088 11.159 195 HD22 ASN 28 HD22 ASN 28 -15.143 0.136 12.841 196 H ARG 29 HN ARG 29 -13.439 -3.974 8.530 197 HA ARG 29 HA ARG 29 -12.014 -5.261 10.861 198 HB2 ARG 29 HB2 ARG 29 -11.433 -7.039 9.012 199 HB3 ARG 29 HB1 ARG 29 -13.005 -7.105 9.805 200 HG2 ARG 29 HG2 ARG 29 -14.022 -5.902 7.944 201 HG3 ARG 29 HG1 ARG 29 -12.454 -5.757 7.154 202 HD2 ARG 29 HD2 ARG 29 -12.405 -8.378 7.365 203 HD3 ARG 29 HD1 ARG 29 -14.152 -8.205 7.540 204 HE ARG 29 HE ARG 29 -13.546 -6.697 5.291 205 HH11 ARG 29 HH21 ARG 29 -12.987 -9.916 6.390 206 HH12 ARG 29 HH22 ARG 29 -12.983 -10.600 4.799 207 HH21 ARG 29 HH11 ARG 29 -13.540 -7.571 3.207 208 HH22 ARG 29 HH12 ARG 29 -13.296 -9.273 2.997 209 H ASP 30 HN ASP 30 -9.691 -6.087 9.787 210 HA ASP 30 HA ASP 30 -8.686 -3.940 8.007 211 HB2 ASP 30 HB2 ASP 30 -7.045 -4.473 10.456 212 HB3 ASP 30 HB1 ASP 30 -7.216 -3.001 9.499 213 H VAL 31 HN VAL 31 -6.714 -4.412 7.038 214 HA VAL 31 HA VAL 31 -5.556 -7.111 7.393 215 HB VAL 31 HB VAL 31 -6.318 -6.104 4.639 216 HG11 VAL 31 HG11 VAL 31 -6.211 -8.540 4.141 217 HG12 VAL 31 HG12 VAL 31 -5.777 -8.843 5.823 218 HG13 VAL 31 HG13 VAL 31 -4.687 -7.927 4.782 219 HG21 VAL 31 HG21 VAL 31 -8.418 -6.191 5.855 220 HG22 VAL 31 HG22 VAL 31 -8.005 -7.765 6.534 221 HG23 VAL 31 HG23 VAL 31 -8.323 -7.605 4.808 222 H THR 32 HN THR 32 -3.356 -7.101 6.235 223 HA THR 32 HA THR 32 -2.390 -4.316 5.721 224 HB THR 32 HB THR 32 -0.357 -4.825 6.958 225 HG1 THR 32 HG1 THR 32 -1.403 -7.121 8.065 226 HG21 THR 32 HG21 THR 32 -2.619 -4.070 8.088 227 HG22 THR 32 HG22 THR 32 -1.236 -4.512 9.087 228 HG23 THR 32 HG23 THR 32 -2.538 -5.671 8.825 229 H LEU 33 HN LEU 33 -0.719 -4.111 4.248 230 HA LEU 33 HA LEU 33 -0.399 -6.451 2.428 231 HB2 LEU 33 HB2 LEU 33 -0.248 -3.473 2.047 232 HB3 LEU 33 HB1 LEU 33 0.619 -4.523 0.937 233 HG LEU 33 HG LEU 33 -1.613 -3.929 0.098 234 HD11 LEU 33 HD11 LEU 33 -1.899 -6.830 0.723 235 HD12 LEU 33 HD12 LEU 33 -0.434 -6.324 -0.116 236 HD13 LEU 33 HD13 LEU 33 -2.012 -5.988 -0.814 237 HD21 LEU 33 HD21 LEU 33 -2.989 -5.652 2.088 238 HD22 LEU 33 HD22 LEU 33 -3.555 -4.209 1.256 239 HD23 LEU 33 HD23 LEU 33 -2.496 -4.055 2.649 240 H ARG 34 HN ARG 34 1.556 -7.208 1.980 241 HA ARG 34 HA ARG 34 3.910 -6.068 3.444 242 HB2 ARG 34 HB2 ARG 34 2.934 -8.667 3.339 243 HB3 ARG 34 HB1 ARG 34 4.226 -8.689 2.147 244 HG2 ARG 34 HG2 ARG 34 4.598 -7.569 4.938 245 HG3 ARG 34 HG1 ARG 34 4.892 -9.226 4.518 246 HD2 ARG 34 HD2 ARG 34 6.495 -8.505 2.759 247 HD3 ARG 34 HD1 ARG 34 6.255 -6.840 3.289 248 HE ARG 34 HE ARG 34 7.053 -8.611 5.461 249 HH11 ARG 34 HH21 ARG 34 8.060 -6.665 2.798 250 HH12 ARG 34 HH22 ARG 34 9.643 -6.374 3.439 251 HH21 ARG 34 HH11 ARG 34 9.111 -8.241 6.312 252 HH22 ARG 34 HH12 ARG 34 10.238 -7.267 5.429 253 H VAL 35 HN VAL 35 4.492 -4.460 1.880 254 HA VAL 35 HA VAL 35 5.508 -5.532 -0.699 255 HB VAL 35 HB VAL 35 4.251 -3.782 -1.945 256 HG11 VAL 35 HG11 VAL 35 3.446 -6.181 -1.607 257 HG12 VAL 35 HG12 VAL 35 2.222 -5.009 -2.079 258 HG13 VAL 35 HG13 VAL 35 2.338 -5.531 -0.399 259 HG21 VAL 35 HG21 VAL 35 3.545 -2.075 -0.561 260 HG22 VAL 35 HG22 VAL 35 3.326 -3.134 0.827 261 HG23 VAL 35 HG23 VAL 35 2.096 -3.067 -0.429 262 H THR 36 HN THR 36 6.023 -3.330 -2.077 263 HA THR 36 HA THR 36 7.545 -1.450 -0.335 264 HB THR 36 HB THR 36 9.435 -1.589 -2.004 265 HG1 THR 36 HG1 THR 36 9.454 -3.591 -3.194 266 HG21 THR 36 HG21 THR 36 10.490 -3.367 -0.894 267 HG22 THR 36 HG22 THR 36 8.993 -4.279 -0.723 268 HG23 THR 36 HG23 THR 36 9.271 -2.847 0.266 269 H GLY 37 HN GLY 37 8.508 0.291 -1.911 270 HA2 GLY 37 HA2 GLY 37 6.384 1.750 -3.050 271 HA3 GLY 37 HA1 GLY 37 8.087 2.036 -3.375 272 H GLU 38 HN GLU 38 7.277 -1.123 -4.182 273 HA GLU 38 HA GLU 38 7.305 -0.387 -7.062 274 HB2 GLU 38 HB2 GLU 38 8.142 -2.609 -7.432 275 HB3 GLU 38 HB1 GLU 38 8.986 -1.967 -6.026 276 HG2 GLU 38 HG2 GLU 38 8.374 -4.068 -5.226 277 HG3 GLU 38 HG1 GLU 38 7.020 -3.084 -4.666 278 H VAL 39 HN VAL 39 5.202 -1.831 -4.682 279 HA VAL 39 HA VAL 39 3.580 -3.291 -6.559 280 HB VAL 39 HB VAL 39 3.538 -3.812 -4.174 281 HG11 VAL 39 HG11 VAL 39 2.168 -1.129 -3.868 282 HG12 VAL 39 HG12 VAL 39 3.783 -1.529 -3.311 283 HG13 VAL 39 HG13 VAL 39 2.389 -2.321 -2.601 284 HG21 VAL 39 HG21 VAL 39 1.576 -4.338 -5.607 285 HG22 VAL 39 HG22 VAL 39 0.847 -2.801 -5.138 286 HG23 VAL 39 HG23 VAL 39 1.131 -4.052 -3.926 287 H HIS 40 HN HIS 40 2.028 -2.607 -7.874 288 HA HIS 40 HA HIS 40 1.559 0.228 -8.239 289 HB2 HIS 40 HB2 HIS 40 0.353 -2.272 -9.427 290 HB3 HIS 40 HB1 HIS 40 -0.209 -0.662 -9.854 291 HD1 HIS 40 HD1 HIS 40 2.850 0.492 -9.562 292 HD2 HIS 40 HD2 HIS 40 1.507 -2.564 -12.060 293 HE1 HIS 40 HE1 HIS 40 4.526 0.323 -11.453 294 H ILE 41 HN ILE 41 -0.431 1.378 -7.802 295 HA ILE 41 HA ILE 41 -1.767 0.653 -5.406 296 HB ILE 41 HB ILE 41 -2.997 2.248 -7.648 297 HG12 ILE 41 HG12 ILE 41 -1.163 3.230 -5.449 298 HG13 ILE 41 HG11 ILE 41 -0.658 3.012 -7.121 299 HG21 ILE 41 HG21 ILE 41 -4.286 1.494 -5.492 300 HG22 ILE 41 HG22 ILE 41 -4.401 3.166 -6.030 301 HG23 ILE 41 HG23 ILE 41 -3.323 2.744 -4.699 302 HD11 ILE 41 HD11 ILE 41 -3.107 4.659 -6.664 303 HD12 ILE 41 HD12 ILE 41 -1.835 4.804 -7.862 304 HD13 ILE 41 HD13 ILE 41 -1.556 5.364 -6.218 305 H GLY 42 HN GLY 42 -2.710 0.234 -8.821 306 HA2 GLY 42 HA2 GLY 42 -5.049 -1.340 -8.225 307 HA3 GLY 42 HA1 GLY 42 -4.208 -1.300 -9.782 308 H GLY 43 HN GLY 43 -1.862 -1.868 -7.560 309 HA2 GLY 43 HA2 GLY 43 -2.033 -4.842 -7.924 310 HA3 GLY 43 HA1 GLY 43 -0.527 -3.933 -7.732 311 H VAL 44 HN VAL 44 -1.836 -2.192 -5.729 312 HA VAL 44 HA VAL 44 -1.093 -3.608 -3.349 313 HB VAL 44 HB VAL 44 -2.506 -1.045 -4.044 314 HG11 VAL 44 HG11 VAL 44 -2.531 -0.512 -1.565 315 HG12 VAL 44 HG12 VAL 44 -2.278 -2.229 -1.281 316 HG13 VAL 44 HG13 VAL 44 -3.737 -1.680 -2.098 317 HG21 VAL 44 HG21 VAL 44 -0.582 -0.119 -2.661 318 HG22 VAL 44 HG22 VAL 44 -0.132 -0.921 -4.163 319 HG23 VAL 44 HG23 VAL 44 0.065 -1.758 -2.622 320 H MET 45 HN MET 45 -4.129 -2.931 -5.012 321 HA MET 45 HA MET 45 -5.824 -4.174 -3.030 322 HB2 MET 45 HB2 MET 45 -7.071 -4.337 -5.619 323 HB3 MET 45 HB1 MET 45 -7.416 -3.205 -4.319 324 HG2 MET 45 HG2 MET 45 -5.692 -1.677 -5.138 325 HG3 MET 45 HG1 MET 45 -5.239 -2.830 -6.392 326 HE1 MET 45 HE1 MET 45 -8.856 -0.070 -6.176 327 HE2 MET 45 HE2 MET 45 -7.291 0.088 -5.383 328 HE3 MET 45 HE3 MET 45 -8.425 -1.147 -4.841 329 H LEU 46 HN LEU 46 -4.276 -5.327 -6.016 330 HA LEU 46 HA LEU 46 -5.448 -7.952 -5.855 331 HB2 LEU 46 HB2 LEU 46 -2.811 -7.178 -7.124 332 HB3 LEU 46 HB1 LEU 46 -3.776 -8.605 -7.495 333 HG LEU 46 HG LEU 46 -4.756 -5.763 -7.851 334 HD11 LEU 46 HD11 LEU 46 -4.231 -5.916 -10.163 335 HD12 LEU 46 HD12 LEU 46 -3.931 -7.651 -10.063 336 HD13 LEU 46 HD13 LEU 46 -2.790 -6.517 -9.345 337 HD21 LEU 46 HD21 LEU 46 -5.871 -8.496 -8.497 338 HD22 LEU 46 HD22 LEU 46 -6.388 -7.077 -9.406 339 HD23 LEU 46 HD23 LEU 46 -6.654 -7.152 -7.667 340 H LYS 47 HN LYS 47 -2.170 -6.799 -5.038 341 HA LYS 47 HA LYS 47 -1.236 -9.130 -3.831 342 HB2 LYS 47 HB2 LYS 47 0.002 -6.917 -4.149 343 HB3 LYS 47 HB1 LYS 47 -0.792 -6.358 -2.693 344 HG2 LYS 47 HG2 LYS 47 1.185 -7.213 -1.800 345 HG3 LYS 47 HG1 LYS 47 0.104 -8.599 -1.658 346 HD2 LYS 47 HD2 LYS 47 1.928 -9.624 -2.689 347 HD3 LYS 47 HD1 LYS 47 1.013 -9.140 -4.115 348 HE2 LYS 47 HE2 LYS 47 3.018 -8.206 -4.737 349 HE3 LYS 47 HE1 LYS 47 2.490 -6.877 -3.705 350 HZ1 LYS 47 HZ1 LYS 47 4.541 -7.338 -2.839 351 HZ2 LYS 47 HZ2 LYS 47 4.442 -9.003 -3.162 352 HZ3 LYS 47 HZ3 LYS 47 3.580 -8.335 -1.860 353 H LEU 48 HN LEU 48 -3.600 -6.845 -2.738 354 HA LEU 48 HA LEU 48 -3.791 -8.002 -0.044 355 HB2 LEU 48 HB2 LEU 48 -4.197 -5.681 -0.181 356 HB3 LEU 48 HB1 LEU 48 -5.247 -5.851 -1.557 357 HG LEU 48 HG LEU 48 -6.981 -6.832 -0.223 358 HD11 LEU 48 HD11 LEU 48 -4.799 -7.036 1.847 359 HD12 LEU 48 HD12 LEU 48 -5.903 -8.278 1.291 360 HD13 LEU 48 HD13 LEU 48 -6.487 -6.999 2.343 361 HD21 LEU 48 HD21 LEU 48 -5.840 -4.641 1.513 362 HD22 LEU 48 HD22 LEU 48 -7.531 -4.974 1.144 363 HD23 LEU 48 HD23 LEU 48 -6.471 -4.300 -0.096 364 H VAL 49 HN VAL 49 -6.005 -7.682 -2.863 365 HA VAL 49 HA VAL 49 -7.985 -9.455 -1.857 366 HB VAL 49 HB VAL 49 -7.123 -9.043 -4.734 367 HG11 VAL 49 HG11 VAL 49 -9.584 -10.279 -3.489 368 HG12 VAL 49 HG12 VAL 49 -8.445 -11.032 -4.606 369 HG13 VAL 49 HG13 VAL 49 -9.518 -9.754 -5.171 370 HG21 VAL 49 HG21 VAL 49 -8.019 -7.068 -3.106 371 HG22 VAL 49 HG22 VAL 49 -9.574 -7.760 -3.571 372 HG23 VAL 49 HG23 VAL 49 -8.475 -7.155 -4.808 373 H GLU 50 HN GLU 50 -4.990 -10.016 -3.630 374 HA GLU 50 HA GLU 50 -5.267 -12.829 -3.960 375 HB2 GLU 50 HB2 GLU 50 -2.843 -11.043 -3.653 376 HB3 GLU 50 HB1 GLU 50 -2.724 -12.772 -3.990 377 HG2 GLU 50 HG2 GLU 50 -4.060 -12.500 -6.012 378 HG3 GLU 50 HG1 GLU 50 -4.281 -10.795 -5.672 379 H LYS 51 HN LYS 51 -3.918 -10.846 -1.289 380 HA LYS 51 HA LYS 51 -3.085 -13.030 0.341 381 HB2 LYS 51 HB2 LYS 51 -3.736 -10.154 0.750 382 HB3 LYS 51 HB1 LYS 51 -3.797 -11.153 2.187 383 HG2 LYS 51 HG2 LYS 51 -1.497 -11.955 1.718 384 HG3 LYS 51 HG1 LYS 51 -1.449 -10.938 0.283 385 HD2 LYS 51 HD2 LYS 51 -0.309 -9.840 2.172 386 HD3 LYS 51 HD1 LYS 51 -1.733 -8.930 1.674 387 HE2 LYS 51 HE2 LYS 51 -1.309 -9.417 4.237 388 HE3 LYS 51 HE1 LYS 51 -2.942 -9.507 3.582 389 HZ1 LYS 51 HZ1 LYS 51 -1.278 -11.917 3.509 390 HZ2 LYS 51 HZ2 LYS 51 -2.961 -11.767 3.682 391 HZ3 LYS 51 HZ3 LYS 51 -1.937 -11.447 4.999 392 H LEU 52 HN LEU 52 -6.157 -11.146 0.529 393 HA LEU 52 HA LEU 52 -7.401 -13.000 2.348 394 HB2 LEU 52 HB2 LEU 52 -8.689 -11.100 0.365 395 HB3 LEU 52 HB1 LEU 52 -9.510 -11.870 1.719 396 HG LEU 52 HG LEU 52 -7.068 -10.118 2.075 397 HD11 LEU 52 HD11 LEU 52 -9.005 -8.889 0.997 398 HD12 LEU 52 HD12 LEU 52 -8.521 -8.260 2.570 399 HD13 LEU 52 HD13 LEU 52 -9.956 -9.274 2.431 400 HD21 LEU 52 HD21 LEU 52 -8.205 -9.903 4.399 401 HD22 LEU 52 HD22 LEU 52 -7.395 -11.419 4.025 402 HD23 LEU 52 HD23 LEU 52 -9.151 -11.309 3.915 403 H ASP 53 HN ASP 53 -7.899 -12.532 -1.166 404 HA ASP 53 HA ASP 53 -8.671 -14.026 -2.797 405 HB2 ASP 53 HB2 ASP 53 -6.553 -15.181 -1.974 406 HB3 ASP 53 HB1 ASP 53 -7.598 -16.185 -0.969 407 H VAL 54 HN VAL 54 -10.882 -14.056 -2.817 408 HA VAL 54 HA VAL 54 -12.251 -16.248 -1.497 409 HB VAL 54 HB VAL 54 -12.216 -14.821 0.429 410 HG11 VAL 54 HG11 VAL 54 -12.051 -12.676 -1.349 411 HG12 VAL 54 HG12 VAL 54 -12.283 -12.534 0.389 412 HG13 VAL 54 HG13 VAL 54 -13.675 -12.498 -0.687 413 HG21 VAL 54 HG21 VAL 54 -14.395 -15.947 -0.288 414 HG22 VAL 54 HG22 VAL 54 -14.923 -14.359 -0.845 415 HG23 VAL 54 HG23 VAL 54 -14.557 -14.618 0.860 416 H LYS 55 HN LYS 55 -13.570 -13.046 -2.366 417 HA LYS 55 HA LYS 55 -14.302 -13.774 -5.039 418 HB2 LYS 55 HB2 LYS 55 -15.840 -15.248 -3.530 419 HB3 LYS 55 HB1 LYS 55 -16.685 -13.743 -3.176 420 HG2 LYS 55 HG2 LYS 55 -17.180 -13.395 -5.524 421 HG3 LYS 55 HG1 LYS 55 -16.169 -14.761 -5.988 422 HD2 LYS 55 HD2 LYS 55 -18.488 -15.475 -6.022 423 HD3 LYS 55 HD1 LYS 55 -17.674 -16.264 -4.672 424 HE2 LYS 55 HE2 LYS 55 -18.721 -14.891 -3.074 425 HE3 LYS 55 HE1 LYS 55 -19.126 -13.651 -4.261 426 HZ1 LYS 55 HZ1 LYS 55 -21.083 -14.887 -3.721 427 HZ2 LYS 55 HZ2 LYS 55 -20.310 -16.364 -4.050 428 HZ3 LYS 55 HZ3 LYS 55 -20.632 -15.271 -5.311 429 H LYS 56 HN LYS 56 -13.558 -11.581 -2.900 430 HA LYS 56 HA LYS 56 -15.584 -9.533 -3.397 431 HB2 LYS 56 HB2 LYS 56 -13.395 -9.915 -1.588 432 HB3 LYS 56 HB1 LYS 56 -13.069 -8.422 -2.449 433 HG2 LYS 56 HG2 LYS 56 -14.354 -7.763 -0.567 434 HG3 LYS 56 HG1 LYS 56 -15.500 -7.764 -1.904 435 HD2 LYS 56 HD2 LYS 56 -16.700 -8.964 -0.301 436 HD3 LYS 56 HD1 LYS 56 -15.908 -10.276 -1.171 437 HE2 LYS 56 HE2 LYS 56 -15.348 -10.872 1.000 438 HE3 LYS 56 HE1 LYS 56 -13.984 -9.807 0.650 439 HZ1 LYS 56 HZ1 LYS 56 -15.817 -9.525 2.675 440 HZ2 LYS 56 HZ2 LYS 56 -16.249 -8.336 1.541 441 HZ3 LYS 56 HZ3 LYS 56 -14.674 -8.375 2.176 442 H ASP 57 HN ASP 57 -15.384 -7.764 -4.763 443 HA ASP 57 HA ASP 57 -14.261 -8.134 -7.285 444 HB2 ASP 57 HB2 ASP 57 -14.441 -5.376 -6.100 445 HB3 ASP 57 HB1 ASP 57 -14.838 -5.916 -7.732 446 H TRP 58 HN TRP 58 -12.373 -7.268 -8.306 447 HA TRP 58 HA TRP 58 -10.020 -7.217 -6.545 448 HB2 TRP 58 HB2 TRP 58 -10.283 -7.138 -9.561 449 HB3 TRP 58 HB1 TRP 58 -8.769 -7.270 -8.679 450 HD1 TRP 58 HD1 TRP 58 -11.133 -9.256 -6.768 451 HE1 TRP 58 HE1 TRP 58 -10.982 -11.751 -7.375 452 HE3 TRP 58 HE3 TRP 58 -8.449 -8.948 -11.103 453 HZ2 TRP 58 HZ2 TRP 58 -9.873 -13.403 -9.426 454 HZ3 TRP 58 HZ3 TRP 58 -7.860 -10.999 -12.362 455 HH2 TRP 58 HH2 TRP 58 -8.568 -13.225 -11.530 456 H SER 59 HN SER 59 -10.625 -5.314 -9.480 457 HA SER 59 HA SER 59 -9.253 -3.020 -8.298 458 HB2 SER 59 HB2 SER 59 -10.548 -3.488 -10.987 459 HB3 SER 59 HB1 SER 59 -9.784 -1.965 -10.539 460 HG SER 59 HG SER 59 -7.907 -3.339 -9.998 461 H ASP 60 HN ASP 60 -12.622 -3.818 -9.128 462 HA ASP 60 HA ASP 60 -13.809 -1.308 -9.003 463 HB2 ASP 60 HB2 ASP 60 -14.912 -3.648 -9.270 464 HB3 ASP 60 HB1 ASP 60 -15.043 -3.620 -7.513 465 H HIS 61 HN HIS 61 -12.489 -3.180 -6.319 466 HA HIS 61 HA HIS 61 -13.617 -1.506 -4.260 467 HB2 HIS 61 HB2 HIS 61 -11.240 -3.378 -4.237 468 HB3 HIS 61 HB1 HIS 61 -11.902 -2.581 -2.817 469 HD1 HIS 61 HD1 HIS 61 -14.930 -2.923 -4.037 470 HD2 HIS 61 HD2 HIS 61 -12.171 -5.928 -3.177 471 HE1 HIS 61 HE1 HIS 61 -16.265 -5.050 -3.704 472 H ALA 62 HN ALA 62 -11.855 -0.451 -2.696 473 HA ALA 62 HA ALA 62 -9.665 0.864 -4.180 474 HB1 ALA 62 HB1 ALA 62 -11.697 2.188 -4.766 475 HB2 ALA 62 HB2 ALA 62 -10.513 3.120 -3.850 476 HB3 ALA 62 HB3 ALA 62 -11.952 2.492 -3.047 477 H LEU 63 HN LEU 63 -8.405 2.327 -2.735 478 HA LEU 63 HA LEU 63 -8.546 1.417 0.102 479 HB2 LEU 63 HB2 LEU 63 -6.220 2.686 -1.341 480 HB3 LEU 63 HB1 LEU 63 -6.196 1.932 0.244 481 HG LEU 63 HG LEU 63 -5.249 0.375 -1.276 482 HD11 LEU 63 HD11 LEU 63 -6.576 -1.522 -0.887 483 HD12 LEU 63 HD12 LEU 63 -8.076 -0.599 -0.972 484 HD13 LEU 63 HD13 LEU 63 -6.997 -0.409 0.414 485 HD21 LEU 63 HD21 LEU 63 -7.663 0.124 -3.023 486 HD22 LEU 63 HD22 LEU 63 -5.961 -0.106 -3.416 487 HD23 LEU 63 HD23 LEU 63 -6.624 1.526 -3.291 488 H TRP 64 HN TRP 64 -9.384 2.952 1.517 489 HA TRP 64 HA TRP 64 -9.237 5.804 0.663 490 HB2 TRP 64 HB2 TRP 64 -11.141 4.474 2.120 491 HB3 TRP 64 HB1 TRP 64 -10.188 5.137 3.423 492 HD1 TRP 64 HD1 TRP 64 -9.362 7.852 1.911 493 HE1 TRP 64 HE1 TRP 64 -11.136 9.703 1.649 494 HE3 TRP 64 HE3 TRP 64 -13.617 5.088 2.502 495 HZ2 TRP 64 HZ2 TRP 64 -13.983 9.977 1.684 496 HZ3 TRP 64 HZ3 TRP 64 -15.844 6.169 2.383 497 HH2 TRP 64 HH2 TRP 64 -16.033 8.608 1.976 498 H TRP 65 HN TRP 65 -7.334 6.888 1.111 499 HA TRP 65 HA TRP 65 -5.574 5.836 3.207 500 HB2 TRP 65 HB2 TRP 65 -3.896 6.815 2.008 501 HB3 TRP 65 HB1 TRP 65 -5.071 6.638 0.748 502 HD1 TRP 65 HD1 TRP 65 -6.837 9.153 1.392 503 HE1 TRP 65 HE1 TRP 65 -5.933 11.497 0.846 504 HE3 TRP 65 HE3 TRP 65 -1.884 8.100 1.240 505 HZ2 TRP 65 HZ2 TRP 65 -3.396 12.751 0.373 506 HZ3 TRP 65 HZ3 TRP 65 -0.232 9.870 0.719 507 HH2 TRP 65 HH2 TRP 65 -0.982 12.192 0.285 508 H GLU 66 HN GLU 66 -5.243 6.769 5.126 509 HA GLU 66 HA GLU 66 -7.193 8.706 6.024 510 HB2 GLU 66 HB2 GLU 66 -6.029 8.474 8.215 511 HB3 GLU 66 HB1 GLU 66 -6.481 6.927 7.500 512 HG2 GLU 66 HG2 GLU 66 -4.215 6.626 6.641 513 HG3 GLU 66 HG1 GLU 66 -3.741 8.196 7.275 514 H LYS 67 HN LYS 67 -3.991 9.055 4.752 515 HA LYS 67 HA LYS 67 -3.027 11.259 6.166 516 HB2 LYS 67 HB2 LYS 67 -1.704 10.291 4.432 517 HB3 LYS 67 HB1 LYS 67 -2.920 10.678 3.219 518 HG2 LYS 67 HG2 LYS 67 -2.371 12.919 3.150 519 HG3 LYS 67 HG1 LYS 67 -1.859 12.956 4.837 520 HD2 LYS 67 HD2 LYS 67 0.237 11.963 4.349 521 HD3 LYS 67 HD1 LYS 67 -0.290 11.460 2.747 522 HE2 LYS 67 HE2 LYS 67 -0.238 13.685 1.913 523 HE3 LYS 67 HE1 LYS 67 -0.188 14.368 3.535 524 HZ1 LYS 67 HZ1 LYS 67 1.968 14.118 2.071 525 HZ2 LYS 67 HZ2 LYS 67 1.973 12.564 2.757 526 HZ3 LYS 67 HZ3 LYS 67 2.012 13.937 3.757 527 H LYS 68 HN LYS 68 -5.240 11.403 3.334 528 HA LYS 68 HA LYS 68 -6.253 14.019 4.390 529 HB2 LYS 68 HB2 LYS 68 -5.265 13.381 1.610 530 HB3 LYS 68 HB1 LYS 68 -6.430 14.674 1.880 531 HG2 LYS 68 HG2 LYS 68 -3.938 14.600 3.572 532 HG3 LYS 68 HG1 LYS 68 -3.821 15.186 1.914 533 HD2 LYS 68 HD2 LYS 68 -5.334 16.968 2.312 534 HD3 LYS 68 HD1 LYS 68 -5.923 16.248 3.809 535 HE2 LYS 68 HE2 LYS 68 -3.071 17.190 3.416 536 HE3 LYS 68 HE1 LYS 68 -4.335 18.179 4.149 537 HZ1 LYS 68 HZ1 LYS 68 -3.178 15.646 5.141 538 HZ2 LYS 68 HZ2 LYS 68 -4.677 16.219 5.701 539 HZ3 LYS 68 HZ3 LYS 68 -3.270 17.144 5.930 540 H ARG 69 HN ARG 69 -7.052 10.974 3.860 541 HA ARG 69 HA ARG 69 -9.050 9.845 3.478 542 HB2 ARG 69 HB2 ARG 69 -10.002 12.619 4.141 543 HB3 ARG 69 HB1 ARG 69 -11.166 11.454 3.536 544 HG2 ARG 69 HG2 ARG 69 -11.163 11.361 5.959 545 HG3 ARG 69 HG1 ARG 69 -10.444 9.874 5.342 546 HD2 ARG 69 HD2 ARG 69 -9.123 10.807 7.213 547 HD3 ARG 69 HD1 ARG 69 -8.196 10.794 5.715 548 HE ARG 69 HE ARG 69 -9.310 13.309 5.717 549 HH11 ARG 69 HH21 ARG 69 -7.556 11.398 7.987 550 HH12 ARG 69 HH22 ARG 69 -6.826 12.759 8.772 551 HH21 ARG 69 HH11 ARG 69 -8.368 15.099 6.730 552 HH22 ARG 69 HH12 ARG 69 -7.286 14.854 8.060 553 H THR 70 HN THR 70 -8.391 9.356 1.399 554 HA THR 70 HA THR 70 -10.135 10.355 -0.706 555 HB THR 70 HB THR 70 -7.724 11.694 -0.345 556 HG1 THR 70 HG1 THR 70 -8.818 12.796 -1.719 557 HG21 THR 70 HG21 THR 70 -7.374 9.860 -2.738 558 HG22 THR 70 HG22 THR 70 -6.513 9.653 -1.212 559 HG23 THR 70 HG23 THR 70 -6.256 11.105 -2.179 560 H TRP 71 HN TRP 71 -10.222 8.826 -2.422 561 HA TRP 71 HA TRP 71 -9.129 6.186 -1.735 562 HB2 TRP 71 HB2 TRP 71 -10.657 6.622 -4.273 563 HB3 TRP 71 HB1 TRP 71 -10.766 5.312 -3.106 564 HD1 TRP 71 HD1 TRP 71 -11.579 6.494 -0.506 565 HE1 TRP 71 HE1 TRP 71 -13.741 7.859 -0.174 566 HE3 TRP 71 HE3 TRP 71 -12.468 7.928 -5.326 567 HZ2 TRP 71 HZ2 TRP 71 -15.601 9.361 -1.744 568 HZ3 TRP 71 HZ3 TRP 71 -14.439 9.325 -5.880 569 HH2 TRP 71 HH2 TRP 71 -16.006 10.042 -4.096 570 H LEU 72 HN LEU 72 -7.842 4.957 -3.210 571 HA LEU 72 HA LEU 72 -6.104 6.629 -4.972 572 HB2 LEU 72 HB2 LEU 72 -5.589 3.770 -4.135 573 HB3 LEU 72 HB1 LEU 72 -4.420 5.005 -4.618 574 HG LEU 72 HG LEU 72 -6.088 5.048 -2.089 575 HD11 LEU 72 HD11 LEU 72 -3.104 4.785 -2.354 576 HD12 LEU 72 HD12 LEU 72 -4.182 3.394 -2.226 577 HD13 LEU 72 HD13 LEU 72 -4.094 4.567 -0.911 578 HD21 LEU 72 HD21 LEU 72 -5.729 7.311 -2.765 579 HD22 LEU 72 HD22 LEU 72 -4.078 6.965 -3.281 580 HD23 LEU 72 HD23 LEU 72 -4.482 6.975 -1.564 581 H LEU 73 HN LEU 73 -6.569 6.520 -7.113 582 HA LEU 73 HA LEU 73 -8.201 4.249 -8.113 583 HB2 LEU 73 HB2 LEU 73 -7.659 6.963 -9.324 584 HB3 LEU 73 HB1 LEU 73 -8.749 5.750 -9.969 585 HG LEU 73 HG LEU 73 -10.059 7.387 -8.767 586 HD11 LEU 73 HD11 LEU 73 -11.354 5.947 -7.473 587 HD12 LEU 73 HD12 LEU 73 -9.954 5.095 -6.824 588 HD13 LEU 73 HD13 LEU 73 -10.465 4.813 -8.489 589 HD21 LEU 73 HD21 LEU 73 -8.821 6.788 -6.112 590 HD22 LEU 73 HD22 LEU 73 -9.549 8.273 -6.708 591 HD23 LEU 73 HD23 LEU 73 -7.912 7.846 -7.191 592 H LYS 74 HN LYS 74 -5.804 6.354 -9.769 593 HA LYS 74 HA LYS 74 -5.298 4.445 -11.724 594 HB2 LYS 74 HB2 LYS 74 -3.623 5.817 -12.564 595 HB3 LYS 74 HB1 LYS 74 -4.751 6.898 -11.767 596 HG2 LYS 74 HG2 LYS 74 -2.353 5.863 -10.273 597 HG3 LYS 74 HG1 LYS 74 -2.202 7.200 -11.382 598 HD2 LYS 74 HD2 LYS 74 -2.616 8.263 -9.344 599 HD3 LYS 74 HD1 LYS 74 -4.187 8.274 -10.100 600 HE2 LYS 74 HE2 LYS 74 -5.050 7.078 -8.373 601 HE3 LYS 74 HE1 LYS 74 -3.819 5.839 -8.553 602 HZ1 LYS 74 HZ1 LYS 74 -3.460 6.700 -6.448 603 HZ2 LYS 74 HZ2 LYS 74 -3.721 8.304 -6.944 604 HZ3 LYS 74 HZ3 LYS 74 -2.298 7.493 -7.396 605 H THR 75 HN THR 75 -3.751 2.972 -12.143 606 HA THR 75 HA THR 75 -2.663 1.642 -9.789 607 HB THR 75 HB THR 75 -3.768 0.456 -11.716 608 HG1 THR 75 HG1 THR 75 -2.551 -0.773 -10.383 609 HG21 THR 75 HG21 THR 75 -1.126 0.848 -13.108 610 HG22 THR 75 HG22 THR 75 -2.502 1.909 -13.411 611 HG23 THR 75 HG23 THR 75 -2.619 0.186 -13.771 612 H HIS 76 HN HIS 76 -1.314 3.066 -12.746 613 HA HIS 76 HA HIS 76 1.378 2.520 -12.405 614 HB2 HIS 76 HB2 HIS 76 0.267 3.802 -14.300 615 HB3 HIS 76 HB1 HIS 76 0.376 5.235 -13.277 616 HD1 HIS 76 HD1 HIS 76 2.506 2.772 -15.163 617 HD2 HIS 76 HD2 HIS 76 2.998 6.272 -12.952 618 HE1 HIS 76 HE1 HIS 76 4.892 3.530 -15.544 619 H TRP 77 HN TRP 77 -0.285 5.372 -11.032 620 HA TRP 77 HA TRP 77 1.959 6.477 -9.714 621 HB2 TRP 77 HB2 TRP 77 -0.315 7.533 -10.074 622 HB3 TRP 77 HB1 TRP 77 -0.848 6.633 -8.672 623 HD1 TRP 77 HD1 TRP 77 0.207 7.256 -6.310 624 HE1 TRP 77 HE1 TRP 77 1.335 9.412 -5.473 625 HE3 TRP 77 HE3 TRP 77 1.181 9.531 -10.775 626 HZ2 TRP 77 HZ2 TRP 77 2.506 11.793 -6.553 627 HZ3 TRP 77 HZ3 TRP 77 2.303 11.740 -10.843 628 HH2 TRP 77 HH2 TRP 77 2.967 12.873 -8.739 629 H THR 78 HN THR 78 2.854 4.481 -9.037 630 HA THR 78 HA THR 78 2.010 2.628 -7.175 631 HB THR 78 HB THR 78 4.782 3.604 -6.707 632 HG1 THR 78 HG1 THR 78 4.703 2.509 -9.154 633 HG21 THR 78 HG21 THR 78 3.660 1.006 -7.781 634 HG22 THR 78 HG22 THR 78 4.094 1.332 -6.111 635 HG23 THR 78 HG23 THR 78 5.341 1.285 -7.347 636 H LEU 79 HN LEU 79 2.668 2.585 -4.769 637 HA LEU 79 HA LEU 79 1.556 4.929 -3.528 638 HB2 LEU 79 HB2 LEU 79 1.912 3.843 -1.450 639 HB3 LEU 79 HB1 LEU 79 1.336 2.672 -2.610 640 HG LEU 79 HG LEU 79 4.226 3.029 -1.808 641 HD11 LEU 79 HD11 LEU 79 1.998 1.623 -0.592 642 HD12 LEU 79 HD12 LEU 79 3.652 1.784 -0.034 643 HD13 LEU 79 HD13 LEU 79 3.225 0.470 -1.110 644 HD21 LEU 79 HD21 LEU 79 4.305 0.697 -2.971 645 HD22 LEU 79 HD22 LEU 79 4.272 2.119 -3.991 646 HD23 LEU 79 HD23 LEU 79 2.799 1.183 -3.737 647 H ASP 80 HN ASP 80 4.812 3.765 -4.127 648 HA ASP 80 HA ASP 80 6.039 5.792 -2.492 649 HB2 ASP 80 HB2 ASP 80 7.596 4.199 -3.033 650 HB3 ASP 80 HB1 ASP 80 6.942 3.910 -4.627 651 H LYS 81 HN LYS 81 4.908 5.620 -5.877 652 HA LYS 81 HA LYS 81 5.918 8.030 -6.860 653 HB2 LYS 81 HB2 LYS 81 3.661 6.321 -7.492 654 HB3 LYS 81 HB1 LYS 81 3.151 7.987 -7.628 655 HG2 LYS 81 HG2 LYS 81 3.979 7.632 -9.756 656 HG3 LYS 81 HG1 LYS 81 5.396 8.288 -8.985 657 HD2 LYS 81 HD2 LYS 81 6.563 6.383 -9.445 658 HD3 LYS 81 HD1 LYS 81 5.420 5.440 -8.516 659 HE2 LYS 81 HE2 LYS 81 5.317 4.481 -10.659 660 HE3 LYS 81 HE1 LYS 81 3.911 5.543 -10.592 661 HZ1 LYS 81 HZ1 LYS 81 5.755 7.227 -11.498 662 HZ2 LYS 81 HZ2 LYS 81 4.760 6.300 -12.517 663 HZ3 LYS 81 HZ3 LYS 81 6.339 5.781 -12.165 664 H TYR 82 HN TYR 82 3.132 7.488 -4.785 665 HA TYR 82 HA TYR 82 2.498 10.310 -4.516 666 HB2 TYR 82 HB2 TYR 82 1.385 7.815 -3.624 667 HB3 TYR 82 HB1 TYR 82 1.665 8.780 -2.181 668 HD1 TYR 82 HD2 TYR 82 1.163 11.491 -2.890 669 HD2 TYR 82 HD1 TYR 82 -0.855 7.969 -4.298 670 HE1 TYR 82 HE2 TYR 82 -0.854 12.845 -3.389 671 HE2 TYR 82 HE1 TYR 82 -2.872 9.324 -4.796 672 HH TYR 82 HH TYR 82 -2.836 12.703 -4.893 673 H GLY 83 HN GLY 83 4.571 7.999 -2.869 674 HA2 GLY 83 HA2 GLY 83 6.656 8.815 -1.823 675 HA3 GLY 83 HA1 GLY 83 5.801 10.284 -1.341 676 H ILE 84 HN ILE 84 4.433 7.101 -1.216 677 HA ILE 84 HA ILE 84 3.878 7.450 1.660 678 HB ILE 84 HB ILE 84 2.872 5.832 -0.583 679 HG12 ILE 84 HG12 ILE 84 1.501 6.371 2.050 680 HG13 ILE 84 HG11 ILE 84 1.684 7.630 0.829 681 HG21 ILE 84 HG21 ILE 84 2.050 3.956 0.857 682 HG22 ILE 84 HG22 ILE 84 3.156 4.503 2.114 683 HG23 ILE 84 HG23 ILE 84 3.789 3.941 0.566 684 HD11 ILE 84 HD11 ILE 84 0.410 6.405 -0.772 685 HD12 ILE 84 HD12 ILE 84 -0.494 6.286 0.738 686 HD13 ILE 84 HD13 ILE 84 0.488 4.928 0.188 687 H GLN 85 HN GLN 85 4.696 6.154 3.315 688 HA GLN 85 HA GLN 85 6.981 4.334 2.623 689 HB2 GLN 85 HB2 GLN 85 6.711 6.215 4.986 690 HB3 GLN 85 HB1 GLN 85 8.032 5.069 4.744 691 HG2 GLN 85 HG2 GLN 85 8.913 6.251 2.925 692 HG3 GLN 85 HG1 GLN 85 7.381 7.046 2.569 693 HE21 GLN 85 HE21 GLN 85 9.959 8.404 2.973 694 HE22 GLN 85 HE22 GLN 85 9.762 9.416 4.318 695 H ALA 86 HN ALA 86 7.355 3.522 5.339 696 HA ALA 86 HA ALA 86 5.152 1.606 5.556 697 HB1 ALA 86 HB1 ALA 86 7.135 1.739 7.763 698 HB2 ALA 86 HB2 ALA 86 7.834 1.514 6.163 699 HB3 ALA 86 HB3 ALA 86 6.646 0.362 6.773 700 H ASP 87 HN ASP 87 5.727 4.728 6.650 701 HA ASP 87 HA ASP 87 4.273 4.440 9.206 702 HB2 ASP 87 HB2 ASP 87 6.202 6.062 8.832 703 HB3 ASP 87 HB1 ASP 87 5.106 6.984 7.804 704 H ALA 88 HN ALA 88 3.361 4.220 6.223 705 HA ALA 88 HA ALA 88 1.049 6.087 6.290 706 HB1 ALA 88 HB1 ALA 88 0.684 5.304 3.968 707 HB2 ALA 88 HB2 ALA 88 2.028 4.176 4.150 708 HB3 ALA 88 HB3 ALA 88 2.323 5.913 4.200 709 H LYS 89 HN LYS 89 -0.771 5.343 7.268 710 HA LYS 89 HA LYS 89 -1.281 2.409 7.398 711 HB2 LYS 89 HB2 LYS 89 -2.281 4.819 8.910 712 HB3 LYS 89 HB1 LYS 89 -3.273 3.383 8.857 713 HG2 LYS 89 HG2 LYS 89 -1.835 3.346 10.847 714 HG3 LYS 89 HG1 LYS 89 -1.425 2.031 9.752 715 HD2 LYS 89 HD2 LYS 89 0.608 3.147 10.597 716 HD3 LYS 89 HD1 LYS 89 0.454 3.342 8.854 717 HE2 LYS 89 HE2 LYS 89 1.056 5.430 10.298 718 HE3 LYS 89 HE1 LYS 89 -0.157 5.601 9.032 719 HZ1 LYS 89 HZ1 LYS 89 -0.731 6.529 11.295 720 HZ2 LYS 89 HZ2 LYS 89 -0.880 4.919 11.818 721 HZ3 LYS 89 HZ3 LYS 89 -1.886 5.511 10.583 722 H LEU 90 HN LEU 90 -2.263 1.774 5.484 723 HA LEU 90 HA LEU 90 -4.086 3.594 4.084 724 HB2 LEU 90 HB2 LEU 90 -3.316 0.725 3.536 725 HB3 LEU 90 HB1 LEU 90 -4.244 1.759 2.452 726 HG LEU 90 HG LEU 90 -1.464 2.408 3.459 727 HD11 LEU 90 HD11 LEU 90 -1.375 0.443 2.023 728 HD12 LEU 90 HD12 LEU 90 -0.753 1.834 1.135 729 HD13 LEU 90 HD13 LEU 90 -2.383 1.242 0.817 730 HD21 LEU 90 HD21 LEU 90 -1.703 3.936 1.296 731 HD22 LEU 90 HD22 LEU 90 -2.360 4.469 2.840 732 HD23 LEU 90 HD23 LEU 90 -3.428 3.765 1.625 733 H GLN 91 HN GLN 91 -6.108 2.596 3.268 734 HA GLN 91 HA GLN 91 -7.545 0.979 5.234 735 HB2 GLN 91 HB2 GLN 91 -8.988 3.264 3.999 736 HB3 GLN 91 HB1 GLN 91 -9.373 2.362 5.432 737 HG2 GLN 91 HG2 GLN 91 -7.763 3.438 6.749 738 HG3 GLN 91 HG1 GLN 91 -6.866 4.029 5.366 739 HE21 GLN 91 HE21 GLN 91 -10.409 4.207 5.829 740 HE22 GLN 91 HE22 GLN 91 -10.479 5.901 5.838 741 H PHE 92 HN PHE 92 -9.682 0.331 4.130 742 HA PHE 92 HA PHE 92 -9.286 -0.132 1.221 743 HB2 PHE 92 HB2 PHE 92 -8.870 -2.148 2.780 744 HB3 PHE 92 HB1 PHE 92 -10.580 -2.124 3.032 745 HD1 PHE 92 HD1 PHE 92 -7.929 -2.662 0.592 746 HD2 PHE 92 HD2 PHE 92 -12.153 -2.728 1.289 747 HE1 PHE 92 HE1 PHE 92 -8.252 -3.915 -1.529 748 HE2 PHE 92 HE2 PHE 92 -12.485 -3.985 -0.823 749 HZ PHE 92 HZ PHE 92 -10.530 -4.578 -2.230 750 H THR 93 HN THR 93 -11.195 -0.135 0.097 751 HA THR 93 HA THR 93 -13.751 0.128 1.410 752 HB THR 93 HB THR 93 -13.118 2.299 1.993 753 HG1 THR 93 HG1 THR 93 -14.157 3.573 0.131 754 HG21 THR 93 HG21 THR 93 -12.120 3.826 0.185 755 HG22 THR 93 HG22 THR 93 -11.847 2.354 -0.735 756 HG23 THR 93 HG23 THR 93 -11.085 2.556 0.839 757 HA PRO 94 HA PRO 94 -15.165 -1.394 -2.527 758 HB2 PRO 94 HB2 PRO 94 -17.247 0.771 -2.328 759 HB3 PRO 94 HB1 PRO 94 -17.447 -0.945 -2.740 760 HG2 PRO 94 HG2 PRO 94 -18.058 -0.011 -0.310 761 HG3 PRO 94 HG1 PRO 94 -17.358 -1.624 -0.541 762 HD2 PRO 94 HD2 PRO 94 -16.086 0.819 0.594 763 HD3 PRO 94 HD1 PRO 94 -15.678 -0.894 0.845 Start of MODEL 14 1 H MET 1 HT1 MET 1 30.436 -9.043 10.235 2 HA MET 1 HA MET 1 31.458 -11.037 8.308 3 HB2 MET 1 HB2 MET 1 29.221 -8.991 8.211 4 HB3 MET 1 HB1 MET 1 29.639 -10.117 6.918 5 HG2 MET 1 HG2 MET 1 28.978 -12.000 8.185 6 HG3 MET 1 HG1 MET 1 28.992 -11.097 9.696 7 HE1 MET 1 HE1 MET 1 27.052 -10.187 10.771 8 HE2 MET 1 HE2 MET 1 25.816 -9.240 9.947 9 HE3 MET 1 HE3 MET 1 27.508 -8.764 9.824 10 H ALA 2 HN ALA 2 31.143 -9.339 6.086 11 HA ALA 2 HA ALA 2 33.107 -7.125 6.582 12 HB1 ALA 2 HB1 ALA 2 34.349 -8.925 5.514 13 HB2 ALA 2 HB2 ALA 2 34.054 -7.651 4.323 14 HB3 ALA 2 HB3 ALA 2 33.074 -9.115 4.307 15 H LEU 3 HN LEU 3 30.069 -7.470 6.016 16 HA LEU 3 HA LEU 3 29.630 -6.454 3.414 17 HB2 LEU 3 HB2 LEU 3 27.832 -5.473 5.567 18 HB3 LEU 3 HB1 LEU 3 27.427 -6.140 3.998 19 HG LEU 3 HG LEU 3 28.384 -7.714 6.411 20 HD11 LEU 3 HD11 LEU 3 25.747 -7.836 4.939 21 HD12 LEU 3 HD12 LEU 3 26.002 -6.857 6.383 22 HD13 LEU 3 HD13 LEU 3 26.163 -8.611 6.467 23 HD21 LEU 3 HD21 LEU 3 27.725 -9.662 4.825 24 HD22 LEU 3 HD22 LEU 3 29.262 -8.859 4.517 25 HD23 LEU 3 HD23 LEU 3 27.854 -8.473 3.529 26 H ASP 4 HN ASP 4 29.512 -4.462 2.664 27 HA ASP 4 HA ASP 4 29.945 -2.080 4.297 28 HB2 ASP 4 HB2 ASP 4 32.246 -2.806 4.119 29 HB3 ASP 4 HB1 ASP 4 32.068 -3.077 2.386 30 H GLY 5 HN GLY 5 30.915 -2.546 0.954 31 HA2 GLY 5 HA2 GLY 5 28.392 -1.295 0.012 32 HA3 GLY 5 HA1 GLY 5 29.902 -0.482 -0.373 33 H ILE 6 HN ILE 6 28.674 -3.790 -0.412 34 HA ILE 6 HA ILE 6 30.267 -4.959 -2.310 35 HB ILE 6 HB ILE 6 27.276 -5.235 -2.354 36 HG12 ILE 6 HG12 ILE 6 29.323 -6.416 -0.454 37 HG13 ILE 6 HG11 ILE 6 27.962 -5.375 -0.035 38 HG21 ILE 6 HG21 ILE 6 27.697 -7.457 -3.151 39 HG22 ILE 6 HG22 ILE 6 29.414 -7.338 -2.768 40 HG23 ILE 6 HG23 ILE 6 28.742 -6.401 -4.101 41 HD11 ILE 6 HD11 ILE 6 26.467 -7.201 -1.062 42 HD12 ILE 6 HD12 ILE 6 27.220 -7.567 0.491 43 HD13 ILE 6 HD13 ILE 6 27.893 -8.237 -0.995 44 H ARG 7 HN ARG 7 27.112 -3.765 -3.395 45 HA ARG 7 HA ARG 7 28.412 -2.784 -5.909 46 HB2 ARG 7 HB2 ARG 7 26.486 -4.809 -5.521 47 HB3 ARG 7 HB1 ARG 7 25.565 -3.456 -6.124 48 HG2 ARG 7 HG2 ARG 7 28.036 -4.628 -7.430 49 HG3 ARG 7 HG1 ARG 7 26.377 -4.905 -7.947 50 HD2 ARG 7 HD2 ARG 7 26.245 -2.868 -8.998 51 HD3 ARG 7 HD1 ARG 7 27.132 -2.045 -7.719 52 HE ARG 7 HE ARG 7 29.037 -2.262 -9.058 53 HH11 ARG 7 HH21 ARG 7 26.755 -4.766 -9.707 54 HH12 ARG 7 HH22 ARG 7 27.726 -5.513 -10.932 55 HH21 ARG 7 HH11 ARG 7 30.313 -3.224 -10.652 56 HH22 ARG 7 HH12 ARG 7 29.738 -4.640 -11.467 57 H MET 8 HN MET 8 25.123 -2.355 -4.621 58 HA MET 8 HA MET 8 25.570 0.393 -3.956 59 HB2 MET 8 HB2 MET 8 23.291 0.580 -5.646 60 HB3 MET 8 HB1 MET 8 24.867 1.286 -5.903 61 HG2 MET 8 HG2 MET 8 25.566 -0.396 -7.337 62 HG3 MET 8 HG1 MET 8 24.423 -1.567 -6.699 63 HE1 MET 8 HE1 MET 8 25.106 0.777 -9.677 64 HE2 MET 8 HE2 MET 8 24.861 1.795 -8.260 65 HE3 MET 8 HE3 MET 8 23.717 1.870 -9.598 66 HA PRO 9 HA PRO 9 21.073 -0.860 -2.553 67 HB2 PRO 9 HB2 PRO 9 21.400 -3.824 -3.013 68 HB3 PRO 9 HB1 PRO 9 19.914 -2.849 -2.986 69 HG2 PRO 9 HG2 PRO 9 20.943 -3.614 -5.291 70 HG3 PRO 9 HG1 PRO 9 20.296 -1.971 -5.092 71 HD2 PRO 9 HD2 PRO 9 23.158 -2.856 -5.230 72 HD3 PRO 9 HD1 PRO 9 22.387 -1.367 -5.816 73 H ASP 10 HN ASP 10 24.124 -2.509 -2.295 74 HA ASP 10 HA ASP 10 23.670 -3.050 0.626 75 HB2 ASP 10 HB2 ASP 10 24.684 -4.796 -1.025 76 HB3 ASP 10 HB1 ASP 10 26.139 -3.805 -0.941 77 H GLY 11 HN GLY 11 25.061 -0.846 -1.562 78 HA2 GLY 11 HA2 GLY 11 26.595 0.479 0.644 79 HA3 GLY 11 HA1 GLY 11 27.230 0.399 -0.998 80 H CYS 12 HN CYS 12 24.760 0.812 -2.333 81 HA CYS 12 HA CYS 12 24.707 3.553 -2.625 82 HB2 CYS 12 HB2 CYS 12 23.569 2.356 -4.291 83 HB3 CYS 12 HB1 CYS 12 22.511 1.547 -3.137 84 HG CYS 12 HG CYS 12 21.626 4.156 -2.693 85 H TYR 13 HN TYR 13 21.982 1.829 -1.104 86 HA TYR 13 HA TYR 13 21.993 3.822 1.126 87 HB2 TYR 13 HB2 TYR 13 20.363 4.318 -0.918 88 HB3 TYR 13 HB1 TYR 13 19.363 3.088 -0.153 89 HD1 TYR 13 HD1 TYR 13 18.810 3.370 2.351 90 HD2 TYR 13 HD2 TYR 13 20.398 6.531 -0.087 91 HE1 TYR 13 HE1 TYR 13 18.020 5.043 4.005 92 HE2 TYR 13 HE2 TYR 13 19.608 8.203 1.565 93 HH TYR 13 HH TYR 13 17.705 8.248 3.366 94 H ALA 14 HN ALA 14 21.032 3.012 3.055 95 HA ALA 14 HA ALA 14 21.290 0.234 3.539 96 HB1 ALA 14 HB1 ALA 14 19.727 2.367 5.009 97 HB2 ALA 14 HB2 ALA 14 21.331 1.751 5.406 98 HB3 ALA 14 HB3 ALA 14 19.915 0.721 5.614 99 H ASP 15 HN ASP 15 18.162 1.804 3.976 100 HA ASP 15 HA ASP 15 16.884 -0.210 2.208 101 HB2 ASP 15 HB2 ASP 15 16.854 -0.708 4.800 102 HB3 ASP 15 HB1 ASP 15 15.634 0.560 4.845 103 H GLY 16 HN GLY 16 16.354 2.655 4.217 104 HA2 GLY 16 HA2 GLY 16 15.057 4.580 3.835 105 HA3 GLY 16 HA1 GLY 16 15.595 4.409 2.164 106 H THR 17 HN THR 17 14.012 1.625 3.123 107 HA THR 17 HA THR 17 11.647 2.359 1.494 108 HB THR 17 HB THR 17 11.040 -0.063 1.829 109 HG1 THR 17 HG1 THR 17 12.446 0.041 3.861 110 HG21 THR 17 HG21 THR 17 13.901 -0.026 0.944 111 HG22 THR 17 HG22 THR 17 12.732 0.926 0.030 112 HG23 THR 17 HG23 THR 17 12.515 -0.814 0.199 113 H TRP 18 HN TRP 18 9.498 1.217 2.467 114 HA TRP 18 HA TRP 18 9.319 1.476 5.383 115 HB2 TRP 18 HB2 TRP 18 7.309 3.176 5.020 116 HB3 TRP 18 HB1 TRP 18 8.955 3.753 5.209 117 HD1 TRP 18 HD1 TRP 18 9.941 5.158 3.315 118 HE1 TRP 18 HE1 TRP 18 9.097 5.937 0.994 119 HE3 TRP 18 HE3 TRP 18 5.761 2.239 2.824 120 HZ2 TRP 18 HZ2 TRP 18 6.966 5.438 -0.776 121 HZ3 TRP 18 HZ3 TRP 18 4.366 2.428 0.767 122 HH2 TRP 18 HH2 TRP 18 4.961 4.023 -0.998 123 H GLU 19 HN GLU 19 6.605 1.552 5.757 124 HA GLU 19 HA GLU 19 5.538 -0.613 4.018 125 HB2 GLU 19 HB2 GLU 19 4.519 -1.652 5.970 126 HB3 GLU 19 HB1 GLU 19 6.257 -1.553 6.200 127 HG2 GLU 19 HG2 GLU 19 4.245 0.403 7.341 128 HG3 GLU 19 HG1 GLU 19 5.012 -0.899 8.241 129 H LEU 20 HN LEU 20 3.137 -0.820 4.860 130 HA LEU 20 HA LEU 20 1.853 1.842 5.077 131 HB2 LEU 20 HB2 LEU 20 2.071 0.249 2.667 132 HB3 LEU 20 HB1 LEU 20 0.373 0.359 3.136 133 HG LEU 20 HG LEU 20 1.005 2.184 1.619 134 HD11 LEU 20 HD11 LEU 20 0.679 3.622 4.223 135 HD12 LEU 20 HD12 LEU 20 -0.555 2.438 3.789 136 HD13 LEU 20 HD13 LEU 20 -0.218 3.795 2.716 137 HD21 LEU 20 HD21 LEU 20 3.426 2.178 2.720 138 HD22 LEU 20 HD22 LEU 20 2.735 3.463 3.706 139 HD23 LEU 20 HD23 LEU 20 2.777 3.622 1.953 140 H SER 21 HN SER 21 -0.336 1.699 5.778 141 HA SER 21 HA SER 21 -1.118 -0.924 6.949 142 HB2 SER 21 HB2 SER 21 -2.386 0.669 8.605 143 HB3 SER 21 HB1 SER 21 -0.670 0.369 8.819 144 HG SER 21 HG SER 21 -1.374 2.439 7.113 145 H VAL 22 HN VAL 22 -2.986 -1.675 6.385 146 HA VAL 22 HA VAL 22 -4.889 0.095 4.925 147 HB VAL 22 HB VAL 22 -3.829 -2.605 4.331 148 HG11 VAL 22 HG11 VAL 22 -6.033 -3.370 5.082 149 HG12 VAL 22 HG12 VAL 22 -5.965 -3.420 3.322 150 HG13 VAL 22 HG13 VAL 22 -6.813 -2.111 4.129 151 HG21 VAL 22 HG21 VAL 22 -3.583 -0.692 2.843 152 HG22 VAL 22 HG22 VAL 22 -5.338 -0.511 2.748 153 HG23 VAL 22 HG23 VAL 22 -4.561 -1.936 2.060 154 H HIS 23 HN HIS 23 -7.030 -0.385 5.196 155 HA HIS 23 HA HIS 23 -7.887 -1.677 7.727 156 HB2 HIS 23 HB2 HIS 23 -7.609 1.111 7.369 157 HB3 HIS 23 HB1 HIS 23 -9.328 0.840 7.130 158 HD1 HIS 23 HD1 HIS 23 -6.635 0.697 9.730 159 HD2 HIS 23 HD2 HIS 23 -10.711 -0.133 9.453 160 HE1 HIS 23 HE1 HIS 23 -7.471 0.408 12.104 161 H VAL 24 HN VAL 24 -10.001 -2.545 7.561 162 HA VAL 24 HA VAL 24 -11.267 -2.322 4.871 163 HB VAL 24 HB VAL 24 -11.805 -4.585 6.763 164 HG11 VAL 24 HG11 VAL 24 -13.319 -4.344 4.890 165 HG12 VAL 24 HG12 VAL 24 -12.283 -5.738 4.584 166 HG13 VAL 24 HG13 VAL 24 -11.984 -4.220 3.759 167 HG21 VAL 24 HG21 VAL 24 -9.468 -4.809 6.559 168 HG22 VAL 24 HG22 VAL 24 -9.457 -4.216 4.900 169 HG23 VAL 24 HG23 VAL 24 -10.078 -5.828 5.259 170 H THR 25 HN THR 25 -13.076 -1.144 4.835 171 HA THR 25 HA THR 25 -14.440 -0.580 7.397 172 HB THR 25 HB THR 25 -14.350 1.396 6.196 173 HG1 THR 25 HG1 THR 25 -16.627 0.473 6.450 174 HG21 THR 25 HG21 THR 25 -14.593 -0.365 3.757 175 HG22 THR 25 HG22 THR 25 -13.269 0.707 4.212 176 HG23 THR 25 HG23 THR 25 -14.799 1.382 3.653 177 H ASP 26 HN ASP 26 -15.452 -1.872 4.196 178 HA ASP 26 HA ASP 26 -18.098 -2.528 5.122 179 HB2 ASP 26 HB2 ASP 26 -16.555 -3.677 2.784 180 HB3 ASP 26 HB1 ASP 26 -18.297 -3.792 3.028 181 H VAL 27 HN VAL 27 -15.401 -3.767 6.348 182 HA VAL 27 HA VAL 27 -16.675 -6.429 6.839 183 HB VAL 27 HB VAL 27 -13.718 -6.128 6.320 184 HG11 VAL 27 HG11 VAL 27 -14.657 -8.039 7.736 185 HG12 VAL 27 HG12 VAL 27 -13.703 -8.519 6.333 186 HG13 VAL 27 HG13 VAL 27 -15.462 -8.595 6.269 187 HG21 VAL 27 HG21 VAL 27 -15.068 -5.630 4.255 188 HG22 VAL 27 HG22 VAL 27 -15.835 -7.204 4.434 189 HG23 VAL 27 HG23 VAL 27 -14.106 -7.098 4.113 190 H ASN 28 HN ASN 28 -14.630 -3.813 7.890 191 HA ASN 28 HA ASN 28 -14.233 -3.031 10.032 192 HB2 ASN 28 HB2 ASN 28 -16.463 -4.376 10.328 193 HB3 ASN 28 HB1 ASN 28 -15.439 -5.464 11.252 194 HD21 ASN 28 HD21 ASN 28 -15.049 -4.878 13.414 195 HD22 ASN 28 HD22 ASN 28 -15.359 -3.341 14.067 196 H ARG 29 HN ARG 29 -12.569 -5.180 8.613 197 HA ARG 29 HA ARG 29 -10.917 -5.966 11.012 198 HB2 ARG 29 HB2 ARG 29 -9.870 -7.641 9.339 199 HB3 ARG 29 HB1 ARG 29 -11.466 -8.029 9.979 200 HG2 ARG 29 HG2 ARG 29 -12.515 -7.147 7.967 201 HG3 ARG 29 HG1 ARG 29 -10.947 -6.664 7.327 202 HD2 ARG 29 HD2 ARG 29 -11.373 -8.739 6.274 203 HD3 ARG 29 HD1 ARG 29 -10.290 -9.154 7.601 204 HE ARG 29 HE ARG 29 -12.850 -9.425 8.670 205 HH11 ARG 29 HH21 ARG 29 -11.062 -10.644 5.984 206 HH12 ARG 29 HH22 ARG 29 -11.911 -12.153 5.934 207 HH21 ARG 29 HH11 ARG 29 -13.968 -11.390 8.620 208 HH22 ARG 29 HH12 ARG 29 -13.556 -12.575 7.426 209 H ASP 30 HN ASP 30 -8.440 -6.210 10.017 210 HA ASP 30 HA ASP 30 -7.966 -3.981 8.108 211 HB2 ASP 30 HB2 ASP 30 -6.043 -3.369 9.978 212 HB3 ASP 30 HB1 ASP 30 -7.598 -2.549 9.864 213 H VAL 31 HN VAL 31 -6.013 -4.044 7.101 214 HA VAL 31 HA VAL 31 -4.174 -6.320 7.637 215 HB VAL 31 HB VAL 31 -5.441 -5.634 4.959 216 HG11 VAL 31 HG11 VAL 31 -3.156 -7.435 5.764 217 HG12 VAL 31 HG12 VAL 31 -3.196 -6.207 4.501 218 HG13 VAL 31 HG13 VAL 31 -4.067 -7.721 4.285 219 HG21 VAL 31 HG21 VAL 31 -6.814 -7.035 6.576 220 HG22 VAL 31 HG22 VAL 31 -5.535 -8.245 6.503 221 HG23 VAL 31 HG23 VAL 31 -6.442 -7.827 5.050 222 H THR 32 HN THR 32 -2.030 -5.816 6.504 223 HA THR 32 HA THR 32 -1.773 -2.912 5.840 224 HB THR 32 HB THR 32 0.306 -2.838 7.105 225 HG1 THR 32 HG1 THR 32 -0.268 -5.555 7.386 226 HG21 THR 32 HG21 THR 32 -1.619 -4.077 9.029 227 HG22 THR 32 HG22 THR 32 -2.097 -2.603 8.186 228 HG23 THR 32 HG23 THR 32 -0.658 -2.610 9.204 229 H LEU 33 HN LEU 33 -0.228 -2.380 4.333 230 HA LEU 33 HA LEU 33 0.670 -4.646 2.634 231 HB2 LEU 33 HB2 LEU 33 0.165 -1.727 2.177 232 HB3 LEU 33 HB1 LEU 33 1.332 -2.531 1.143 233 HG LEU 33 HG LEU 33 -0.911 -2.496 0.158 234 HD11 LEU 33 HD11 LEU 33 0.814 -4.515 0.019 235 HD12 LEU 33 HD12 LEU 33 -0.774 -4.597 -0.738 236 HD13 LEU 33 HD13 LEU 33 -0.505 -5.377 0.809 237 HD21 LEU 33 HD21 LEU 33 -2.021 -4.523 2.000 238 HD22 LEU 33 HD22 LEU 33 -2.800 -3.162 1.203 239 HD23 LEU 33 HD23 LEU 33 -1.884 -2.901 2.680 240 H ARG 34 HN ARG 34 2.758 -4.923 2.152 241 HA ARG 34 HA ARG 34 4.803 -3.341 3.695 242 HB2 ARG 34 HB2 ARG 34 4.611 -5.926 3.970 243 HB3 ARG 34 HB1 ARG 34 5.250 -6.001 2.331 244 HG2 ARG 34 HG2 ARG 34 7.118 -6.173 3.849 245 HG3 ARG 34 HG1 ARG 34 7.183 -4.593 3.073 246 HD2 ARG 34 HD2 ARG 34 6.834 -3.484 5.047 247 HD3 ARG 34 HD1 ARG 34 5.637 -4.648 5.612 248 HE ARG 34 HE ARG 34 8.294 -5.787 5.633 249 HH11 ARG 34 HH21 ARG 34 6.113 -3.646 7.226 250 HH12 ARG 34 HH22 ARG 34 6.812 -3.886 8.792 251 HH21 ARG 34 HH11 ARG 34 9.220 -6.114 7.666 252 HH22 ARG 34 HH12 ARG 34 8.571 -5.286 9.042 253 H VAL 35 HN VAL 35 5.021 -1.645 2.121 254 HA VAL 35 HA VAL 35 6.310 -2.483 -0.421 255 HB VAL 35 HB VAL 35 4.729 -1.077 -1.721 256 HG11 VAL 35 HG11 VAL 35 3.218 -3.175 -0.164 257 HG12 VAL 35 HG12 VAL 35 4.450 -3.582 -1.360 258 HG13 VAL 35 HG13 VAL 35 3.003 -2.709 -1.848 259 HG21 VAL 35 HG21 VAL 35 3.705 0.469 -0.324 260 HG22 VAL 35 HG22 VAL 35 3.567 -0.663 1.017 261 HG23 VAL 35 HG23 VAL 35 2.445 -0.762 -0.333 262 H THR 36 HN THR 36 6.385 -0.262 -1.824 263 HA THR 36 HA THR 36 7.375 1.955 -0.093 264 HB THR 36 HB THR 36 9.338 2.147 -1.712 265 HG1 THR 36 HG1 THR 36 8.769 -0.583 -2.171 266 HG21 THR 36 HG21 THR 36 9.042 -0.168 0.205 267 HG22 THR 36 HG22 THR 36 9.780 1.404 0.503 268 HG23 THR 36 HG23 THR 36 10.576 0.242 -0.557 269 H GLY 37 HN GLY 37 7.996 3.813 -1.671 270 HA2 GLY 37 HA2 GLY 37 5.754 4.804 -3.020 271 HA3 GLY 37 HA1 GLY 37 7.387 5.365 -3.286 272 H GLU 38 HN GLU 38 7.219 2.083 -3.967 273 HA GLU 38 HA GLU 38 7.198 2.679 -6.884 274 HB2 GLU 38 HB2 GLU 38 8.585 0.734 -7.100 275 HB3 GLU 38 HB1 GLU 38 9.171 1.637 -5.707 276 HG2 GLU 38 HG2 GLU 38 9.073 -0.495 -4.781 277 HG3 GLU 38 HG1 GLU 38 7.473 0.124 -4.357 278 H VAL 39 HN VAL 39 5.305 0.971 -4.503 279 HA VAL 39 HA VAL 39 4.294 -1.024 -6.347 280 HB VAL 39 HB VAL 39 4.173 -1.423 -3.959 281 HG11 VAL 39 HG11 VAL 39 2.739 -0.103 -2.517 282 HG12 VAL 39 HG12 VAL 39 2.201 0.866 -3.880 283 HG13 VAL 39 HG13 VAL 39 3.869 0.969 -3.330 284 HG21 VAL 39 HG21 VAL 39 1.365 -1.026 -5.019 285 HG22 VAL 39 HG22 VAL 39 1.906 -2.214 -3.837 286 HG23 VAL 39 HG23 VAL 39 2.414 -2.351 -5.517 287 H HIS 40 HN HIS 40 2.659 -0.881 -7.776 288 HA HIS 40 HA HIS 40 1.533 1.695 -8.443 289 HB2 HIS 40 HB2 HIS 40 0.999 -1.135 -9.338 290 HB3 HIS 40 HB1 HIS 40 0.008 0.203 -9.905 291 HD1 HIS 40 HD1 HIS 40 1.177 -0.607 -12.279 292 HD2 HIS 40 HD2 HIS 40 3.619 1.379 -9.545 293 HE1 HIS 40 HE1 HIS 40 3.195 0.203 -13.577 294 H ILE 41 HN ILE 41 -0.631 2.440 -8.018 295 HA ILE 41 HA ILE 41 -1.835 1.564 -5.585 296 HB ILE 41 HB ILE 41 -3.328 2.781 -7.919 297 HG12 ILE 41 HG12 ILE 41 -1.669 4.135 -5.770 298 HG13 ILE 41 HG11 ILE 41 -1.263 4.057 -7.481 299 HG21 ILE 41 HG21 ILE 41 -4.880 3.508 -6.292 300 HG22 ILE 41 HG22 ILE 41 -3.745 3.260 -4.963 301 HG23 ILE 41 HG23 ILE 41 -4.482 1.876 -5.765 302 HD11 ILE 41 HD11 ILE 41 -2.542 5.836 -7.916 303 HD12 ILE 41 HD12 ILE 41 -2.816 6.025 -6.190 304 HD13 ILE 41 HD13 ILE 41 -3.951 5.103 -7.167 305 H GLY 42 HN GLY 42 -2.554 0.917 -8.978 306 HA2 GLY 42 HA2 GLY 42 -4.550 -1.092 -8.522 307 HA3 GLY 42 HA1 GLY 42 -3.583 -0.916 -9.998 308 H GLY 43 HN GLY 43 -1.358 -0.992 -7.612 309 HA2 GLY 43 HA2 GLY 43 -0.965 -3.958 -7.835 310 HA3 GLY 43 HA1 GLY 43 0.342 -2.783 -7.636 311 H VAL 44 HN VAL 44 -1.208 -1.181 -5.744 312 HA VAL 44 HA VAL 44 -0.361 -2.284 -3.273 313 HB VAL 44 HB VAL 44 -2.318 -0.188 -4.174 314 HG11 VAL 44 HG11 VAL 44 -2.601 0.416 -1.704 315 HG12 VAL 44 HG12 VAL 44 -2.018 -1.207 -1.361 316 HG13 VAL 44 HG13 VAL 44 -3.498 -0.987 -2.283 317 HG21 VAL 44 HG21 VAL 44 0.282 -0.186 -2.638 318 HG22 VAL 44 HG22 VAL 44 -0.766 1.229 -2.691 319 HG23 VAL 44 HG23 VAL 44 -0.089 0.582 -4.181 320 H MET 45 HN MET 45 -3.362 -2.430 -5.082 321 HA MET 45 HA MET 45 -4.891 -3.951 -3.175 322 HB2 MET 45 HB2 MET 45 -5.640 -4.468 -5.959 323 HB3 MET 45 HB1 MET 45 -6.537 -3.600 -4.720 324 HG2 MET 45 HG2 MET 45 -5.134 -1.580 -5.200 325 HG3 MET 45 HG1 MET 45 -4.377 -2.472 -6.516 326 HE1 MET 45 HE1 MET 45 -7.621 0.264 -7.112 327 HE2 MET 45 HE2 MET 45 -6.083 0.268 -6.258 328 HE3 MET 45 HE3 MET 45 -7.522 -0.352 -5.459 329 H LEU 46 HN LEU 46 -3.108 -4.911 -6.099 330 HA LEU 46 HA LEU 46 -3.518 -7.710 -5.755 331 HB2 LEU 46 HB2 LEU 46 -1.076 -6.422 -6.997 332 HB3 LEU 46 HB1 LEU 46 -1.746 -8.010 -7.358 333 HG LEU 46 HG LEU 46 -3.202 -5.397 -7.833 334 HD11 LEU 46 HD11 LEU 46 -2.623 -5.586 -10.140 335 HD12 LEU 46 HD12 LEU 46 -1.971 -7.210 -9.917 336 HD13 LEU 46 HD13 LEU 46 -1.117 -5.818 -9.252 337 HD21 LEU 46 HD21 LEU 46 -4.820 -7.115 -7.599 338 HD22 LEU 46 HD22 LEU 46 -3.805 -8.302 -8.418 339 HD23 LEU 46 HD23 LEU 46 -4.566 -7.007 -9.340 340 H LYS 47 HN LYS 47 -0.660 -5.727 -4.968 341 HA LYS 47 HA LYS 47 0.809 -7.669 -3.626 342 HB2 LYS 47 HB2 LYS 47 1.429 -5.225 -4.048 343 HB3 LYS 47 HB1 LYS 47 0.490 -4.833 -2.620 344 HG2 LYS 47 HG2 LYS 47 2.604 -5.105 -1.678 345 HG3 LYS 47 HG1 LYS 47 1.929 -6.722 -1.488 346 HD2 LYS 47 HD2 LYS 47 3.992 -7.238 -2.458 347 HD3 LYS 47 HD1 LYS 47 2.991 -7.105 -3.902 348 HE2 LYS 47 HE2 LYS 47 4.660 -5.679 -4.583 349 HE3 LYS 47 HE1 LYS 47 3.767 -4.500 -3.622 350 HZ1 LYS 47 HZ1 LYS 47 5.970 -4.386 -2.884 351 HZ2 LYS 47 HZ2 LYS 47 6.151 -6.075 -2.848 352 HZ3 LYS 47 HZ3 LYS 47 5.173 -5.297 -1.696 353 H LEU 48 HN LEU 48 -2.091 -6.021 -2.665 354 HA LEU 48 HA LEU 48 -2.008 -7.089 0.069 355 HB2 LEU 48 HB2 LEU 48 -2.979 -4.957 -0.090 356 HB3 LEU 48 HB1 LEU 48 -3.923 -5.375 -1.492 357 HG LEU 48 HG LEU 48 -5.405 -6.744 -0.191 358 HD11 LEU 48 HD11 LEU 48 -4.943 -6.719 2.405 359 HD12 LEU 48 HD12 LEU 48 -3.275 -6.450 1.913 360 HD13 LEU 48 HD13 LEU 48 -4.124 -7.895 1.392 361 HD21 LEU 48 HD21 LEU 48 -4.824 -4.298 1.491 362 HD22 LEU 48 HD22 LEU 48 -6.380 -5.081 1.226 363 HD23 LEU 48 HD23 LEU 48 -5.598 -4.205 -0.092 364 H VAL 49 HN VAL 49 -4.192 -7.466 -2.778 365 HA VAL 49 HA VAL 49 -5.639 -9.658 -1.666 366 HB VAL 49 HB VAL 49 -4.920 -9.147 -4.574 367 HG11 VAL 49 HG11 VAL 49 -7.099 -10.510 -4.880 368 HG12 VAL 49 HG12 VAL 49 -6.834 -11.051 -3.223 369 HG13 VAL 49 HG13 VAL 49 -5.635 -11.399 -4.466 370 HG21 VAL 49 HG21 VAL 49 -6.185 -7.316 -3.378 371 HG22 VAL 49 HG22 VAL 49 -7.455 -8.493 -3.041 372 HG23 VAL 49 HG23 VAL 49 -7.091 -8.050 -4.710 373 H GLU 50 HN GLU 50 -2.593 -9.476 -3.421 374 HA GLU 50 HA GLU 50 -2.101 -12.276 -3.622 375 HB2 GLU 50 HB2 GLU 50 -0.240 -9.897 -3.439 376 HB3 GLU 50 HB1 GLU 50 0.317 -11.543 -3.742 377 HG2 GLU 50 HG2 GLU 50 -1.015 -11.690 -5.750 378 HG3 GLU 50 HG1 GLU 50 -1.775 -10.145 -5.419 379 H LYS 51 HN LYS 51 -1.346 -9.879 -1.058 380 HA LYS 51 HA LYS 51 0.139 -11.642 0.606 381 HB2 LYS 51 HB2 LYS 51 -1.391 -9.111 0.959 382 HB3 LYS 51 HB1 LYS 51 -1.083 -10.028 2.416 383 HG2 LYS 51 HG2 LYS 51 1.342 -10.061 1.869 384 HG3 LYS 51 HG1 LYS 51 1.008 -9.094 0.439 385 HD2 LYS 51 HD2 LYS 51 1.733 -7.599 2.210 386 HD3 LYS 51 HD1 LYS 51 0.021 -7.331 1.903 387 HE2 LYS 51 HE2 LYS 51 0.848 -7.544 4.376 388 HE3 LYS 51 HE1 LYS 51 -0.641 -8.353 3.897 389 HZ1 LYS 51 HZ1 LYS 51 0.318 -10.390 4.020 390 HZ2 LYS 51 HZ2 LYS 51 1.292 -9.597 5.165 391 HZ3 LYS 51 HZ3 LYS 51 1.858 -9.831 3.581 392 H LEU 52 HN LEU 52 -3.350 -10.748 0.891 393 HA LEU 52 HA LEU 52 -3.810 -13.462 2.119 394 HB2 LEU 52 HB2 LEU 52 -5.526 -11.016 2.544 395 HB3 LEU 52 HB1 LEU 52 -5.501 -12.509 3.483 396 HG LEU 52 HG LEU 52 -3.167 -10.585 3.288 397 HD11 LEU 52 HD11 LEU 52 -5.014 -11.000 5.630 398 HD12 LEU 52 HD12 LEU 52 -5.243 -9.718 4.444 399 HD13 LEU 52 HD13 LEU 52 -3.781 -9.756 5.425 400 HD21 LEU 52 HD21 LEU 52 -2.362 -12.769 3.815 401 HD22 LEU 52 HD22 LEU 52 -3.723 -13.089 4.890 402 HD23 LEU 52 HD23 LEU 52 -2.482 -11.929 5.361 403 H ASP 53 HN ASP 53 -4.229 -14.363 -0.005 404 HA ASP 53 HA ASP 53 -6.358 -13.223 -1.655 405 HB2 ASP 53 HB2 ASP 53 -6.087 -15.410 -2.922 406 HB3 ASP 53 HB1 ASP 53 -4.625 -14.429 -2.810 407 H VAL 54 HN VAL 54 -8.209 -13.205 -0.305 408 HA VAL 54 HA VAL 54 -9.357 -15.911 0.293 409 HB VAL 54 HB VAL 54 -8.640 -14.956 2.408 410 HG11 VAL 54 HG11 VAL 54 -8.822 -12.517 1.382 411 HG12 VAL 54 HG12 VAL 54 -9.025 -12.770 3.111 412 HG13 VAL 54 HG13 VAL 54 -10.439 -12.564 2.083 413 HG21 VAL 54 HG21 VAL 54 -10.720 -15.053 3.586 414 HG22 VAL 54 HG22 VAL 54 -10.909 -16.094 2.175 415 HG23 VAL 54 HG23 VAL 54 -11.622 -14.481 2.183 416 H LYS 55 HN LYS 55 -10.552 -15.757 -1.682 417 HA LYS 55 HA LYS 55 -12.350 -15.075 -3.041 418 HB2 LYS 55 HB2 LYS 55 -13.360 -15.903 -0.779 419 HB3 LYS 55 HB1 LYS 55 -13.677 -14.197 -0.475 420 HG2 LYS 55 HG2 LYS 55 -14.917 -14.080 -2.643 421 HG3 LYS 55 HG1 LYS 55 -14.651 -15.807 -2.855 422 HD2 LYS 55 HD2 LYS 55 -16.789 -15.747 -1.887 423 HD3 LYS 55 HD1 LYS 55 -15.749 -16.038 -0.495 424 HE2 LYS 55 HE2 LYS 55 -15.849 -13.718 0.160 425 HE3 LYS 55 HE1 LYS 55 -16.644 -13.266 -1.347 426 HZ1 LYS 55 HZ1 LYS 55 -17.789 -14.241 1.050 427 HZ2 LYS 55 HZ2 LYS 55 -18.179 -15.273 -0.242 428 HZ3 LYS 55 HZ3 LYS 55 -18.559 -13.619 -0.327 429 H LYS 56 HN LYS 56 -10.291 -12.981 -2.156 430 HA LYS 56 HA LYS 56 -11.829 -10.510 -1.973 431 HB2 LYS 56 HB2 LYS 56 -9.223 -11.236 -1.348 432 HB3 LYS 56 HB1 LYS 56 -8.989 -10.280 -2.802 433 HG2 LYS 56 HG2 LYS 56 -8.907 -8.657 -1.107 434 HG3 LYS 56 HG1 LYS 56 -10.576 -8.556 -1.661 435 HD2 LYS 56 HD2 LYS 56 -10.922 -8.693 0.638 436 HD3 LYS 56 HD1 LYS 56 -10.979 -10.404 0.213 437 HE2 LYS 56 HE2 LYS 56 -9.489 -10.370 2.030 438 HE3 LYS 56 HE1 LYS 56 -8.400 -10.348 0.642 439 HZ1 LYS 56 HZ1 LYS 56 -8.020 -8.075 0.888 440 HZ2 LYS 56 HZ2 LYS 56 -7.981 -8.673 2.478 441 HZ3 LYS 56 HZ3 LYS 56 -9.357 -7.855 1.909 442 H ASP 57 HN ASP 57 -12.142 -8.987 -3.628 443 HA ASP 57 HA ASP 57 -11.936 -10.094 -6.385 444 HB2 ASP 57 HB2 ASP 57 -13.312 -7.515 -5.675 445 HB3 ASP 57 HB1 ASP 57 -13.696 -8.664 -6.956 446 H TRP 58 HN TRP 58 -10.961 -8.888 -8.059 447 HA TRP 58 HA TRP 58 -8.872 -6.992 -7.175 448 HB2 TRP 58 HB2 TRP 58 -9.199 -8.278 -9.892 449 HB3 TRP 58 HB1 TRP 58 -7.761 -7.524 -9.224 450 HD1 TRP 58 HD1 TRP 58 -6.511 -8.832 -7.216 451 HE1 TRP 58 HE1 TRP 58 -6.433 -11.347 -6.653 452 HE3 TRP 58 HE3 TRP 58 -10.506 -10.471 -9.944 453 HZ2 TRP 58 HZ2 TRP 58 -7.876 -13.737 -7.278 454 HZ3 TRP 58 HZ3 TRP 58 -11.131 -12.869 -9.943 455 HH2 TRP 58 HH2 TRP 58 -9.822 -14.503 -8.615 456 H SER 59 HN SER 59 -10.455 -7.156 -10.342 457 HA SER 59 HA SER 59 -10.400 -4.389 -10.822 458 HB2 SER 59 HB2 SER 59 -10.800 -6.173 -12.527 459 HB3 SER 59 HB1 SER 59 -12.443 -6.333 -11.914 460 HG SER 59 HG SER 59 -11.779 -3.744 -12.372 461 H ASP 60 HN ASP 60 -12.098 -5.625 -8.300 462 HA ASP 60 HA ASP 60 -14.255 -3.542 -8.575 463 HB2 ASP 60 HB2 ASP 60 -15.054 -5.935 -8.760 464 HB3 ASP 60 HB1 ASP 60 -14.536 -6.154 -7.090 465 H HIS 61 HN HIS 61 -11.894 -5.070 -6.427 466 HA HIS 61 HA HIS 61 -12.876 -3.738 -4.072 467 HB2 HIS 61 HB2 HIS 61 -10.822 -4.479 -3.025 468 HB3 HIS 61 HB1 HIS 61 -11.523 -5.797 -3.952 469 HD1 HIS 61 HD1 HIS 61 -10.195 -3.595 -6.388 470 HD2 HIS 61 HD2 HIS 61 -8.479 -6.367 -3.798 471 HE1 HIS 61 HE1 HIS 61 -7.941 -4.205 -7.369 472 H ALA 62 HN ALA 62 -11.547 -2.153 -2.844 473 HA ALA 62 HA ALA 62 -9.736 -0.430 -4.417 474 HB1 ALA 62 HB1 ALA 62 -12.101 0.257 -5.045 475 HB2 ALA 62 HB2 ALA 62 -11.116 1.543 -4.347 476 HB3 ALA 62 HB3 ALA 62 -12.329 0.723 -3.358 477 H LEU 63 HN LEU 63 -9.004 1.511 -2.989 478 HA LEU 63 HA LEU 63 -9.042 0.690 -0.117 479 HB2 LEU 63 HB2 LEU 63 -6.986 2.394 -1.517 480 HB3 LEU 63 HB1 LEU 63 -6.882 1.719 0.100 481 HG LEU 63 HG LEU 63 -5.524 0.364 -1.303 482 HD11 LEU 63 HD11 LEU 63 -6.424 -1.782 -0.907 483 HD12 LEU 63 HD12 LEU 63 -8.081 -1.204 -1.067 484 HD13 LEU 63 HD13 LEU 63 -7.119 -0.748 0.339 485 HD21 LEU 63 HD21 LEU 63 -5.957 -0.260 -3.462 486 HD22 LEU 63 HD22 LEU 63 -7.081 1.100 -3.417 487 HD23 LEU 63 HD23 LEU 63 -7.669 -0.539 -3.152 488 H TRP 64 HN TRP 64 -10.274 2.048 1.144 489 HA TRP 64 HA TRP 64 -10.852 4.764 0.090 490 HB2 TRP 64 HB2 TRP 64 -12.739 3.681 1.109 491 HB3 TRP 64 HB1 TRP 64 -11.824 3.239 2.528 492 HD1 TRP 64 HD1 TRP 64 -11.717 6.741 0.972 493 HE1 TRP 64 HE1 TRP 64 -12.711 8.413 2.661 494 HE3 TRP 64 HE3 TRP 64 -13.364 3.506 4.567 495 HZ2 TRP 64 HZ2 TRP 64 -14.024 8.390 5.200 496 HZ3 TRP 64 HZ3 TRP 64 -14.483 4.359 6.607 497 HH2 TRP 64 HH2 TRP 64 -14.815 6.794 6.929 498 H TRP 65 HN TRP 65 -9.543 6.454 0.593 499 HA TRP 65 HA TRP 65 -7.406 6.097 2.572 500 HB2 TRP 65 HB2 TRP 65 -7.279 7.319 0.288 501 HB3 TRP 65 HB1 TRP 65 -8.067 8.660 1.106 502 HD1 TRP 65 HD1 TRP 65 -6.157 7.500 3.833 503 HE1 TRP 65 HE1 TRP 65 -3.825 8.564 3.970 504 HE3 TRP 65 HE3 TRP 65 -5.747 9.359 -0.910 505 HZ2 TRP 65 HZ2 TRP 65 -2.022 10.025 2.304 506 HZ3 TRP 65 HZ3 TRP 65 -3.714 10.588 -1.601 507 HH2 TRP 65 HH2 TRP 65 -1.852 10.925 -0.002 508 H GLU 66 HN GLU 66 -7.713 6.615 4.725 509 HA GLU 66 HA GLU 66 -10.090 8.084 5.564 510 HB2 GLU 66 HB2 GLU 66 -9.152 7.766 7.841 511 HB3 GLU 66 HB1 GLU 66 -9.206 6.262 6.932 512 HG2 GLU 66 HG2 GLU 66 -7.021 6.105 7.665 513 HG3 GLU 66 HG1 GLU 66 -6.718 7.055 6.221 514 H LYS 67 HN LYS 67 -6.912 9.000 4.625 515 HA LYS 67 HA LYS 67 -6.646 11.291 6.367 516 HB2 LYS 67 HB2 LYS 67 -4.741 10.182 5.306 517 HB3 LYS 67 HB1 LYS 67 -5.360 10.671 3.724 518 HG2 LYS 67 HG2 LYS 67 -5.007 12.956 4.149 519 HG3 LYS 67 HG1 LYS 67 -4.843 12.703 5.887 520 HD2 LYS 67 HD2 LYS 67 -2.683 11.822 5.703 521 HD3 LYS 67 HD1 LYS 67 -2.900 11.384 4.012 522 HE2 LYS 67 HE2 LYS 67 -2.562 13.575 3.261 523 HE3 LYS 67 HE1 LYS 67 -2.994 14.280 4.819 524 HZ1 LYS 67 HZ1 LYS 67 -0.882 14.233 5.423 525 HZ2 LYS 67 HZ2 LYS 67 -0.457 13.656 3.882 526 HZ3 LYS 67 HZ3 LYS 67 -0.787 12.563 5.141 527 H LYS 68 HN LYS 68 -7.355 11.079 2.850 528 HA LYS 68 HA LYS 68 -8.528 13.843 3.013 529 HB2 LYS 68 HB2 LYS 68 -7.340 12.317 0.675 530 HB3 LYS 68 HB1 LYS 68 -8.124 13.890 0.541 531 HG2 LYS 68 HG2 LYS 68 -6.416 14.598 2.420 532 HG3 LYS 68 HG1 LYS 68 -5.522 13.178 1.883 533 HD2 LYS 68 HD2 LYS 68 -5.434 14.043 -0.398 534 HD3 LYS 68 HD1 LYS 68 -6.430 15.425 0.060 535 HE2 LYS 68 HE2 LYS 68 -4.592 15.926 1.812 536 HE3 LYS 68 HE1 LYS 68 -3.593 14.809 0.881 537 HZ1 LYS 68 HZ1 LYS 68 -3.491 16.211 -0.873 538 HZ2 LYS 68 HZ2 LYS 68 -3.714 17.377 0.342 539 HZ3 LYS 68 HZ3 LYS 68 -5.032 16.867 -0.602 540 H ARG 69 HN ARG 69 -9.455 10.736 3.064 541 HA ARG 69 HA ARG 69 -11.470 9.660 2.581 542 HB2 ARG 69 HB2 ARG 69 -12.647 12.370 1.961 543 HB3 ARG 69 HB1 ARG 69 -13.444 10.964 2.661 544 HG2 ARG 69 HG2 ARG 69 -11.411 12.778 3.983 545 HG3 ARG 69 HG1 ARG 69 -13.085 12.507 4.462 546 HD2 ARG 69 HD2 ARG 69 -12.419 10.042 4.776 547 HD3 ARG 69 HD1 ARG 69 -10.751 10.604 4.684 548 HE ARG 69 HE ARG 69 -12.514 10.928 6.952 549 HH11 ARG 69 HH21 ARG 69 -10.013 12.391 5.084 550 HH12 ARG 69 HH22 ARG 69 -9.409 13.345 6.397 551 HH21 ARG 69 HH11 ARG 69 -11.740 12.167 8.677 552 HH22 ARG 69 HH12 ARG 69 -10.384 13.216 8.432 553 H THR 70 HN THR 70 -10.047 9.113 0.590 554 HA THR 70 HA THR 70 -11.663 9.642 -1.820 555 HB THR 70 HB THR 70 -9.682 11.348 -1.415 556 HG1 THR 70 HG1 THR 70 -9.689 10.167 -3.954 557 HG21 THR 70 HG21 THR 70 -7.546 10.670 -2.211 558 HG22 THR 70 HG22 THR 70 -8.182 9.160 -2.872 559 HG23 THR 70 HG23 THR 70 -8.060 9.377 -1.126 560 H TRP 71 HN TRP 71 -11.554 7.913 -3.260 561 HA TRP 71 HA TRP 71 -10.195 5.496 -2.284 562 HB2 TRP 71 HB2 TRP 71 -11.602 5.567 -4.927 563 HB3 TRP 71 HB1 TRP 71 -11.583 4.306 -3.703 564 HD1 TRP 71 HD1 TRP 71 -13.436 4.326 -1.896 565 HE1 TRP 71 HE1 TRP 71 -15.505 5.804 -1.469 566 HE3 TRP 71 HE3 TRP 71 -12.494 8.127 -5.173 567 HZ2 TRP 71 HZ2 TRP 71 -16.613 8.273 -2.396 568 HZ3 TRP 71 HZ3 TRP 71 -14.071 10.028 -5.381 569 HH2 TRP 71 HH2 TRP 71 -16.127 10.106 -3.997 570 H LEU 72 HN LEU 72 -8.626 4.364 -3.524 571 HA LEU 72 HA LEU 72 -7.073 6.083 -5.422 572 HB2 LEU 72 HB2 LEU 72 -5.940 3.576 -4.204 573 HB3 LEU 72 HB1 LEU 72 -5.132 5.086 -4.627 574 HG LEU 72 HG LEU 72 -7.077 4.785 -2.331 575 HD11 LEU 72 HD11 LEU 72 -5.131 4.853 -0.900 576 HD12 LEU 72 HD12 LEU 72 -4.068 4.961 -2.303 577 HD13 LEU 72 HD13 LEU 72 -5.008 3.494 -2.015 578 HD21 LEU 72 HD21 LEU 72 -6.988 7.053 -3.224 579 HD22 LEU 72 HD22 LEU 72 -5.225 7.009 -3.238 580 HD23 LEU 72 HD23 LEU 72 -6.095 7.008 -1.704 581 H LEU 73 HN LEU 73 -7.712 5.574 -7.469 582 HA LEU 73 HA LEU 73 -8.352 2.745 -8.119 583 HB2 LEU 73 HB2 LEU 73 -8.838 5.077 -9.950 584 HB3 LEU 73 HB1 LEU 73 -9.734 3.572 -9.800 585 HG LEU 73 HG LEU 73 -9.685 5.801 -7.742 586 HD11 LEU 73 HD11 LEU 73 -10.974 6.530 -9.587 587 HD12 LEU 73 HD12 LEU 73 -12.139 5.910 -8.418 588 HD13 LEU 73 HD13 LEU 73 -11.692 4.936 -9.818 589 HD21 LEU 73 HD21 LEU 73 -10.069 3.850 -6.481 590 HD22 LEU 73 HD22 LEU 73 -10.918 3.045 -7.800 591 HD23 LEU 73 HD23 LEU 73 -11.707 4.341 -6.903 592 H LYS 74 HN LYS 74 -6.991 5.400 -10.074 593 HA LYS 74 HA LYS 74 -5.646 3.647 -11.799 594 HB2 LYS 74 HB2 LYS 74 -4.833 5.520 -12.917 595 HB3 LYS 74 HB1 LYS 74 -6.358 6.028 -12.214 596 HG2 LYS 74 HG2 LYS 74 -3.783 6.526 -10.715 597 HG3 LYS 74 HG1 LYS 74 -4.270 7.583 -12.015 598 HD2 LYS 74 HD2 LYS 74 -5.180 8.605 -10.125 599 HD3 LYS 74 HD1 LYS 74 -6.543 7.762 -10.805 600 HE2 LYS 74 HE2 LYS 74 -6.801 6.593 -8.876 601 HE3 LYS 74 HE1 LYS 74 -5.140 6.031 -8.946 602 HZ1 LYS 74 HZ1 LYS 74 -4.539 8.321 -8.096 603 HZ2 LYS 74 HZ2 LYS 74 -5.281 7.262 -6.994 604 HZ3 LYS 74 HZ3 LYS 74 -6.184 8.503 -7.723 605 H THR 75 HN THR 75 -3.517 3.167 -12.165 606 HA THR 75 HA THR 75 -1.857 2.923 -9.757 607 HB THR 75 HB THR 75 -1.758 1.016 -11.169 608 HG1 THR 75 HG1 THR 75 0.435 2.621 -11.998 609 HG21 THR 75 HG21 THR 75 -1.592 3.052 -13.395 610 HG22 THR 75 HG22 THR 75 -2.793 1.782 -13.153 611 HG23 THR 75 HG23 THR 75 -1.156 1.361 -13.651 612 H HIS 76 HN HIS 76 -2.064 4.813 -12.682 613 HA HIS 76 HA HIS 76 0.424 5.968 -13.014 614 HB2 HIS 76 HB2 HIS 76 -1.643 6.438 -14.356 615 HB3 HIS 76 HB1 HIS 76 -2.173 7.507 -13.055 616 HD1 HIS 76 HD1 HIS 76 -1.848 9.800 -14.050 617 HD2 HIS 76 HD2 HIS 76 1.499 7.374 -14.583 618 HE1 HIS 76 HE1 HIS 76 -0.040 11.280 -15.026 619 H TRP 77 HN TRP 77 -1.613 6.354 -10.265 620 HA TRP 77 HA TRP 77 0.066 8.645 -9.282 621 HB2 TRP 77 HB2 TRP 77 -2.799 7.882 -8.894 622 HB3 TRP 77 HB1 TRP 77 -1.976 8.699 -7.574 623 HD1 TRP 77 HD1 TRP 77 -2.693 9.182 -11.338 624 HE1 TRP 77 HE1 TRP 77 -2.818 11.713 -11.815 625 HE3 TRP 77 HE3 TRP 77 -1.483 11.009 -6.726 626 HZ2 TRP 77 HZ2 TRP 77 -2.450 14.186 -10.424 627 HZ3 TRP 77 HZ3 TRP 77 -1.378 13.454 -6.330 628 HH2 TRP 77 HH2 TRP 77 -1.860 15.043 -8.171 629 H THR 78 HN THR 78 1.504 6.652 -8.934 630 HA THR 78 HA THR 78 1.161 4.647 -7.053 631 HB THR 78 HB THR 78 3.763 6.081 -6.822 632 HG1 THR 78 HG1 THR 78 3.657 5.020 -9.270 633 HG21 THR 78 HG21 THR 78 2.877 3.302 -7.537 634 HG22 THR 78 HG22 THR 78 3.960 3.826 -6.258 635 HG23 THR 78 HG23 THR 78 4.503 3.829 -7.925 636 H LEU 79 HN LEU 79 1.969 4.632 -4.739 637 HA LEU 79 HA LEU 79 0.620 6.545 -3.151 638 HB2 LEU 79 HB2 LEU 79 3.041 5.501 -1.814 639 HB3 LEU 79 HB1 LEU 79 1.351 5.281 -1.397 640 HG LEU 79 HG LEU 79 1.241 3.604 -3.332 641 HD11 LEU 79 HD11 LEU 79 3.151 2.921 -4.393 642 HD12 LEU 79 HD12 LEU 79 4.170 3.237 -3.025 643 HD13 LEU 79 HD13 LEU 79 3.676 4.557 -4.053 644 HD21 LEU 79 HD21 LEU 79 1.667 1.874 -1.865 645 HD22 LEU 79 HD22 LEU 79 1.727 3.176 -0.687 646 HD23 LEU 79 HD23 LEU 79 3.224 2.526 -1.361 647 H ASP 80 HN ASP 80 4.067 6.305 -3.927 648 HA ASP 80 HA ASP 80 4.860 8.716 -2.702 649 HB2 ASP 80 HB2 ASP 80 6.720 7.590 -3.391 650 HB3 ASP 80 HB1 ASP 80 5.938 6.932 -4.804 651 H LYS 81 HN LYS 81 3.577 8.190 -6.013 652 HA LYS 81 HA LYS 81 3.860 10.777 -7.031 653 HB2 LYS 81 HB2 LYS 81 1.991 8.563 -7.494 654 HB3 LYS 81 HB1 LYS 81 1.218 10.111 -7.760 655 HG2 LYS 81 HG2 LYS 81 2.104 9.603 -9.856 656 HG3 LYS 81 HG1 LYS 81 3.308 10.680 -9.198 657 HD2 LYS 81 HD2 LYS 81 4.913 9.069 -9.391 658 HD3 LYS 81 HD1 LYS 81 3.978 7.977 -8.387 659 HE2 LYS 81 HE2 LYS 81 4.326 6.944 -10.564 660 HE3 LYS 81 HE1 LYS 81 2.616 7.357 -10.365 661 HZ1 LYS 81 HZ1 LYS 81 3.984 8.016 -12.515 662 HZ2 LYS 81 HZ2 LYS 81 4.352 9.374 -11.564 663 HZ3 LYS 81 HZ3 LYS 81 2.734 8.988 -11.909 664 H TYR 82 HN TYR 82 1.394 9.565 -4.829 665 HA TYR 82 HA TYR 82 0.109 12.173 -4.565 666 HB2 TYR 82 HB2 TYR 82 -0.505 9.492 -3.842 667 HB3 TYR 82 HB1 TYR 82 -0.418 10.365 -2.318 668 HD1 TYR 82 HD1 TYR 82 -1.568 12.821 -2.453 669 HD2 TYR 82 HD2 TYR 82 -2.591 9.440 -4.901 670 HE1 TYR 82 HE1 TYR 82 -3.803 13.804 -2.882 671 HE2 TYR 82 HE2 TYR 82 -4.825 10.425 -5.327 672 HH TYR 82 HH TYR 82 -5.976 12.464 -5.251 673 H GLY 83 HN GLY 83 2.891 10.667 -3.247 674 HA2 GLY 83 HA2 GLY 83 4.535 11.776 -1.898 675 HA3 GLY 83 HA1 GLY 83 3.334 13.002 -1.474 676 H ILE 84 HN ILE 84 2.876 9.545 -1.404 677 HA ILE 84 HA ILE 84 1.999 9.719 1.410 678 HB ILE 84 HB ILE 84 1.683 7.837 -0.869 679 HG12 ILE 84 HG12 ILE 84 -0.165 8.343 1.465 680 HG13 ILE 84 HG11 ILE 84 -0.051 9.446 0.094 681 HG21 ILE 84 HG21 ILE 84 2.682 6.219 0.520 682 HG22 ILE 84 HG22 ILE 84 0.944 6.002 0.746 683 HG23 ILE 84 HG23 ILE 84 1.890 6.847 1.968 684 HD11 ILE 84 HD11 ILE 84 -0.571 6.490 -0.257 685 HD12 ILE 84 HD12 ILE 84 -0.795 7.779 -1.440 686 HD13 ILE 84 HD13 ILE 84 -1.877 7.658 -0.053 687 H GLN 85 HN GLN 85 2.932 8.619 3.103 688 HA GLN 85 HA GLN 85 5.589 7.318 2.659 689 HB2 GLN 85 HB2 GLN 85 4.823 9.318 4.809 690 HB3 GLN 85 HB1 GLN 85 6.323 8.389 4.798 691 HG2 GLN 85 HG2 GLN 85 7.101 9.451 2.827 692 HG3 GLN 85 HG1 GLN 85 5.497 10.079 2.444 693 HE21 GLN 85 HE21 GLN 85 6.373 12.301 2.408 694 HE22 GLN 85 HE22 GLN 85 6.745 13.103 3.857 695 H ALA 86 HN ALA 86 5.893 6.819 5.501 696 HA ALA 86 HA ALA 86 4.094 4.521 5.723 697 HB1 ALA 86 HB1 ALA 86 5.553 3.759 7.357 698 HB2 ALA 86 HB2 ALA 86 5.880 5.380 7.977 699 HB3 ALA 86 HB3 ALA 86 6.634 4.841 6.480 700 H ASP 87 HN ASP 87 3.846 7.763 6.453 701 HA ASP 87 HA ASP 87 2.296 7.427 8.947 702 HB2 ASP 87 HB2 ASP 87 3.828 9.407 8.477 703 HB3 ASP 87 HB1 ASP 87 2.632 9.930 7.291 704 H ALA 88 HN ALA 88 1.686 6.683 5.958 705 HA ALA 88 HA ALA 88 -0.996 7.953 5.715 706 HB1 ALA 88 HB1 ALA 88 0.640 7.737 3.760 707 HB2 ALA 88 HB2 ALA 88 -1.000 7.159 3.465 708 HB3 ALA 88 HB3 ALA 88 0.295 6.008 3.793 709 H LYS 89 HN LYS 89 -2.623 6.906 6.747 710 HA LYS 89 HA LYS 89 -2.472 3.955 7.135 711 HB2 LYS 89 HB2 LYS 89 -4.037 6.201 8.401 712 HB3 LYS 89 HB1 LYS 89 -4.695 4.583 8.453 713 HG2 LYS 89 HG2 LYS 89 -3.365 5.029 10.471 714 HG3 LYS 89 HG1 LYS 89 -2.644 3.742 9.511 715 HD2 LYS 89 HD2 LYS 89 -0.926 5.331 10.290 716 HD3 LYS 89 HD1 LYS 89 -1.050 5.343 8.533 717 HE2 LYS 89 HE2 LYS 89 -0.959 7.624 9.795 718 HE3 LYS 89 HE1 LYS 89 -2.129 7.425 8.495 719 HZ1 LYS 89 HZ1 LYS 89 -3.168 8.397 10.428 720 HZ2 LYS 89 HZ2 LYS 89 -2.667 7.093 11.396 721 HZ3 LYS 89 HZ3 LYS 89 -3.802 6.847 10.155 722 H LEU 90 HN LEU 90 -3.214 2.942 5.275 723 HA LEU 90 HA LEU 90 -5.379 4.169 3.709 724 HB2 LEU 90 HB2 LEU 90 -3.892 1.563 3.349 725 HB3 LEU 90 HB1 LEU 90 -4.992 2.289 2.181 726 HG LEU 90 HG LEU 90 -2.482 3.618 3.232 727 HD11 LEU 90 HD11 LEU 90 -1.815 1.746 1.875 728 HD12 LEU 90 HD12 LEU 90 -1.653 3.191 0.877 729 HD13 LEU 90 HD13 LEU 90 -3.037 2.120 0.660 730 HD21 LEU 90 HD21 LEU 90 -3.807 5.394 2.531 731 HD22 LEU 90 HD22 LEU 90 -4.665 4.428 1.333 732 HD23 LEU 90 HD23 LEU 90 -3.024 4.983 1.008 733 H GLN 91 HN GLN 91 -7.055 2.642 2.938 734 HA GLN 91 HA GLN 91 -8.067 0.813 4.991 735 HB2 GLN 91 HB2 GLN 91 -10.004 2.588 3.625 736 HB3 GLN 91 HB1 GLN 91 -10.197 1.673 5.086 737 HG2 GLN 91 HG2 GLN 91 -8.886 3.164 6.359 738 HG3 GLN 91 HG1 GLN 91 -8.237 3.955 4.937 739 HE21 GLN 91 HE21 GLN 91 -9.367 5.735 4.147 740 HE22 GLN 91 HE22 GLN 91 -10.902 6.215 4.683 741 H PHE 92 HN PHE 92 -10.009 -0.359 3.920 742 HA PHE 92 HA PHE 92 -9.409 -0.954 1.068 743 HB2 PHE 92 HB2 PHE 92 -8.598 -2.641 2.810 744 HB3 PHE 92 HB1 PHE 92 -10.263 -2.985 3.078 745 HD1 PHE 92 HD1 PHE 92 -7.538 -3.138 0.631 746 HD2 PHE 92 HD2 PHE 92 -11.610 -4.182 1.477 747 HE1 PHE 92 HE1 PHE 92 -7.533 -4.721 -1.282 748 HE2 PHE 92 HE2 PHE 92 -11.609 -5.760 -0.429 749 HZ PHE 92 HZ PHE 92 -9.570 -6.033 -1.800 750 H THR 93 HN THR 93 -11.249 -1.505 -0.095 751 HA THR 93 HA THR 93 -13.819 -1.776 1.192 752 HB THR 93 HB THR 93 -13.903 0.485 1.619 753 HG1 THR 93 HG1 THR 93 -14.857 1.336 -0.609 754 HG21 THR 93 HG21 THR 93 -12.003 1.480 0.815 755 HG22 THR 93 HG22 THR 93 -13.125 2.060 -0.418 756 HG23 THR 93 HG23 THR 93 -12.100 0.677 -0.751 757 HA PRO 94 HA PRO 94 -14.688 -3.586 -2.728 758 HB2 PRO 94 HB2 PRO 94 -17.422 -3.495 -2.814 759 HB3 PRO 94 HB1 PRO 94 -16.529 -4.586 -1.733 760 HG2 PRO 94 HG2 PRO 94 -17.776 -1.937 -1.126 761 HG3 PRO 94 HG1 PRO 94 -17.818 -3.441 -0.185 762 HD2 PRO 94 HD2 PRO 94 -16.120 -1.410 0.433 763 HD3 PRO 94 HD1 PRO 94 -15.685 -3.110 0.695 Start of MODEL 15 1 H MET 1 HT1 MET 1 33.906 -1.770 11.416 2 HA MET 1 HA MET 1 34.400 -2.793 9.323 3 HB2 MET 1 HB2 MET 1 31.635 -1.559 9.459 4 HB3 MET 1 HB1 MET 1 32.076 -2.921 8.427 5 HG2 MET 1 HG2 MET 1 32.530 -4.324 10.291 6 HG3 MET 1 HG1 MET 1 32.541 -2.964 11.410 7 HE1 MET 1 HE1 MET 1 30.687 -3.176 13.141 8 HE2 MET 1 HE2 MET 1 31.160 -4.812 12.691 9 HE3 MET 1 HE3 MET 1 29.454 -4.421 12.894 10 H ALA 2 HN ALA 2 32.874 -2.220 6.957 11 HA ALA 2 HA ALA 2 33.614 0.430 5.999 12 HB1 ALA 2 HB1 ALA 2 35.784 -0.646 5.778 13 HB2 ALA 2 HB2 ALA 2 35.069 -0.496 4.173 14 HB3 ALA 2 HB3 ALA 2 35.043 -2.050 5.009 15 H LEU 3 HN LEU 3 33.736 -1.861 3.602 16 HA LEU 3 HA LEU 3 31.297 -1.094 2.402 17 HB2 LEU 3 HB2 LEU 3 32.897 -3.645 2.088 18 HB3 LEU 3 HB1 LEU 3 31.580 -3.169 1.025 19 HG LEU 3 HG LEU 3 34.031 -1.457 1.526 20 HD11 LEU 3 HD11 LEU 3 34.788 -2.242 -0.707 21 HD12 LEU 3 HD12 LEU 3 33.438 -3.376 -0.747 22 HD13 LEU 3 HD13 LEU 3 34.706 -3.557 0.465 23 HD21 LEU 3 HD21 LEU 3 31.640 -1.288 -0.309 24 HD22 LEU 3 HD22 LEU 3 33.170 -0.567 -0.802 25 HD23 LEU 3 HD23 LEU 3 32.379 -0.025 0.673 26 H ASP 4 HN ASP 4 31.416 -4.496 2.774 27 HA ASP 4 HA ASP 4 30.096 -6.023 3.936 28 HB2 ASP 4 HB2 ASP 4 29.551 -5.487 6.099 29 HB3 ASP 4 HB1 ASP 4 30.462 -4.022 5.759 30 H GLY 5 HN GLY 5 28.940 -3.138 2.504 31 HA2 GLY 5 HA2 GLY 5 27.003 -4.305 0.900 32 HA3 GLY 5 HA1 GLY 5 26.163 -3.908 2.390 33 H ILE 6 HN ILE 6 28.027 -1.563 2.762 34 HA ILE 6 HA ILE 6 26.474 0.557 1.935 35 HB ILE 6 HB ILE 6 29.498 0.521 1.914 36 HG12 ILE 6 HG12 ILE 6 27.523 1.042 4.159 37 HG13 ILE 6 HG11 ILE 6 28.550 -0.376 4.009 38 HG21 ILE 6 HG21 ILE 6 28.507 2.551 0.904 39 HG22 ILE 6 HG22 ILE 6 29.255 2.932 2.450 40 HG23 ILE 6 HG23 ILE 6 27.503 2.774 2.335 41 HD11 ILE 6 HD11 ILE 6 29.373 2.474 4.553 42 HD12 ILE 6 HD12 ILE 6 30.527 1.284 3.951 43 HD13 ILE 6 HD13 ILE 6 29.728 1.032 5.503 44 H ARG 7 HN ARG 7 28.379 -1.495 -0.052 45 HA ARG 7 HA ARG 7 28.804 0.194 -2.302 46 HB2 ARG 7 HB2 ARG 7 29.913 -1.973 -2.095 47 HB3 ARG 7 HB1 ARG 7 28.365 -2.797 -2.123 48 HG2 ARG 7 HG2 ARG 7 29.553 -2.869 -4.324 49 HG3 ARG 7 HG1 ARG 7 27.969 -2.106 -4.422 50 HD2 ARG 7 HD2 ARG 7 28.868 0.028 -4.701 51 HD3 ARG 7 HD1 ARG 7 30.377 -0.396 -3.895 52 HE ARG 7 HE ARG 7 31.219 -1.112 -5.976 53 HH11 ARG 7 HH21 ARG 7 27.777 -0.904 -5.976 54 HH12 ARG 7 HH22 ARG 7 27.626 -1.210 -7.674 55 HH21 ARG 7 HH11 ARG 7 31.041 -1.511 -8.194 56 HH22 ARG 7 HH12 ARG 7 29.473 -1.555 -8.929 57 H MET 8 HN MET 8 26.200 -2.010 -1.489 58 HA MET 8 HA MET 8 24.413 -0.605 -3.434 59 HB2 MET 8 HB2 MET 8 23.667 -2.680 -4.275 60 HB3 MET 8 HB1 MET 8 25.373 -2.961 -4.023 61 HG2 MET 8 HG2 MET 8 24.914 -3.991 -1.834 62 HG3 MET 8 HG1 MET 8 23.190 -3.739 -2.075 63 HE1 MET 8 HE1 MET 8 25.958 -6.813 -3.957 64 HE2 MET 8 HE2 MET 8 26.037 -6.084 -2.355 65 HE3 MET 8 HE3 MET 8 26.385 -5.106 -3.779 66 HA PRO 9 HA PRO 9 21.301 -0.302 -0.295 67 HB2 PRO 9 HB2 PRO 9 19.629 -2.513 -1.442 68 HB3 PRO 9 HB1 PRO 9 19.175 -0.839 -1.056 69 HG2 PRO 9 HG2 PRO 9 19.528 -1.529 -3.564 70 HG3 PRO 9 HG1 PRO 9 20.197 0.005 -2.972 71 HD2 PRO 9 HD2 PRO 9 21.618 -2.601 -3.426 72 HD3 PRO 9 HD1 PRO 9 22.129 -0.958 -3.896 73 H ASP 10 HN ASP 10 23.229 -2.872 -0.498 74 HA ASP 10 HA ASP 10 21.959 -4.585 1.557 75 HB2 ASP 10 HB2 ASP 10 23.372 -5.552 -0.281 76 HB3 ASP 10 HB1 ASP 10 24.763 -4.706 0.394 77 H GLY 11 HN GLY 11 23.162 -1.669 1.645 78 HA2 GLY 11 HA2 GLY 11 23.657 -1.506 4.406 79 HA3 GLY 11 HA1 GLY 11 25.230 -1.658 3.620 80 H CYS 12 HN CYS 12 24.112 -0.334 1.176 81 HA CYS 12 HA CYS 12 24.960 2.317 1.634 82 HB2 CYS 12 HB2 CYS 12 24.825 1.634 -0.633 83 HB3 CYS 12 HB1 CYS 12 23.164 1.079 -0.457 84 HG CYS 12 HG CYS 12 24.048 4.017 -0.865 85 H TYR 13 HN TYR 13 21.602 1.791 0.672 86 HA TYR 13 HA TYR 13 20.741 3.884 2.570 87 HB2 TYR 13 HB2 TYR 13 19.872 3.708 0.188 88 HB3 TYR 13 HB1 TYR 13 19.030 2.239 0.685 89 HD1 TYR 13 HD2 TYR 13 19.454 5.843 1.607 90 HD2 TYR 13 HD1 TYR 13 16.914 2.380 1.708 91 HE1 TYR 13 HE2 TYR 13 17.618 7.215 2.553 92 HE2 TYR 13 HE1 TYR 13 15.080 3.751 2.655 93 HH TYR 13 HH TYR 13 14.738 5.800 3.834 94 H ALA 14 HN ALA 14 18.352 3.152 3.504 95 HA ALA 14 HA ALA 14 18.930 1.241 5.548 96 HB1 ALA 14 HB1 ALA 14 16.304 2.361 4.532 97 HB2 ALA 14 HB2 ALA 14 17.216 2.889 5.946 98 HB3 ALA 14 HB3 ALA 14 16.427 1.312 5.945 99 H ASP 15 HN ASP 15 15.928 0.436 4.207 100 HA ASP 15 HA ASP 15 16.951 -2.250 3.465 101 HB2 ASP 15 HB2 ASP 15 14.907 -1.878 4.953 102 HB3 ASP 15 HB1 ASP 15 14.073 -1.318 3.503 103 H GLY 16 HN GLY 16 16.558 0.623 1.908 104 HA2 GLY 16 HA2 GLY 16 16.445 1.183 -0.371 105 HA3 GLY 16 HA1 GLY 16 16.744 -0.523 -0.713 106 H THR 17 HN THR 17 14.168 -0.518 1.299 107 HA THR 17 HA THR 17 12.059 0.162 -0.624 108 HB THR 17 HB THR 17 11.140 -2.218 -0.526 109 HG1 THR 17 HG1 THR 17 13.524 -3.372 -0.198 110 HG21 THR 17 HG21 THR 17 13.842 -2.153 -1.856 111 HG22 THR 17 HG22 THR 17 12.515 -1.159 -2.453 112 HG23 THR 17 HG23 THR 17 12.357 -2.913 -2.423 113 H TRP 18 HN TRP 18 9.858 -0.885 0.481 114 HA TRP 18 HA TRP 18 10.090 -0.969 3.407 115 HB2 TRP 18 HB2 TRP 18 8.362 0.983 3.580 116 HB3 TRP 18 HB1 TRP 18 10.068 1.358 3.421 117 HD1 TRP 18 HD1 TRP 18 10.714 2.942 1.559 118 HE1 TRP 18 HE1 TRP 18 9.523 3.962 -0.500 119 HE3 TRP 18 HE3 TRP 18 6.356 0.235 1.562 120 HZ2 TRP 18 HZ2 TRP 18 7.100 3.720 -1.888 121 HZ3 TRP 18 HZ3 TRP 18 4.646 0.664 -0.193 122 HH2 TRP 18 HH2 TRP 18 5.017 2.400 -1.902 123 H GLU 19 HN GLU 19 7.484 -0.580 4.174 124 HA GLU 19 HA GLU 19 5.899 -2.391 2.430 125 HB2 GLU 19 HB2 GLU 19 5.024 -3.507 4.401 126 HB3 GLU 19 HB1 GLU 19 6.775 -3.635 4.399 127 HG2 GLU 19 HG2 GLU 19 5.172 -1.604 5.975 128 HG3 GLU 19 HG1 GLU 19 5.911 -3.055 6.643 129 H LEU 20 HN LEU 20 3.634 -2.360 3.476 130 HA LEU 20 HA LEU 20 2.749 0.401 4.128 131 HB2 LEU 20 HB2 LEU 20 2.472 -0.945 1.589 132 HB3 LEU 20 HB1 LEU 20 0.864 -0.749 2.288 133 HG LEU 20 HG LEU 20 1.528 1.152 0.845 134 HD11 LEU 20 HD11 LEU 20 0.589 2.791 2.214 135 HD12 LEU 20 HD12 LEU 20 1.431 2.229 3.654 136 HD13 LEU 20 HD13 LEU 20 0.063 1.315 3.021 137 HD21 LEU 20 HD21 LEU 20 4.011 0.893 1.886 138 HD22 LEU 20 HD22 LEU 20 3.431 2.228 2.866 139 HD23 LEU 20 HD23 LEU 20 3.447 2.360 1.109 140 H SER 21 HN SER 21 0.637 0.448 5.091 141 HA SER 21 HA SER 21 -0.329 -2.170 6.135 142 HB2 SER 21 HB2 SER 21 -1.154 -0.615 8.087 143 HB3 SER 21 HB1 SER 21 0.517 -1.149 8.036 144 HG SER 21 HG SER 21 1.135 0.810 7.285 145 H VAL 22 HN VAL 22 -2.355 -2.627 5.773 146 HA VAL 22 HA VAL 22 -4.169 -0.486 4.766 147 HB VAL 22 HB VAL 22 -3.709 -3.290 3.842 148 HG11 VAL 22 HG11 VAL 22 -6.018 -3.349 2.841 149 HG12 VAL 22 HG12 VAL 22 -6.450 -1.987 3.865 150 HG13 VAL 22 HG13 VAL 22 -6.018 -3.535 4.593 151 HG21 VAL 22 HG21 VAL 22 -2.988 -1.359 2.515 152 HG22 VAL 22 HG22 VAL 22 -4.633 -0.715 2.523 153 HG23 VAL 22 HG23 VAL 22 -4.281 -2.218 1.674 154 H HIS 23 HN HIS 23 -6.308 -0.719 5.287 155 HA HIS 23 HA HIS 23 -7.042 -2.168 7.775 156 HB2 HIS 23 HB2 HIS 23 -6.448 0.627 7.568 157 HB3 HIS 23 HB1 HIS 23 -8.173 0.511 7.838 158 HD1 HIS 23 HD1 HIS 23 -8.524 -1.658 9.821 159 HD2 HIS 23 HD2 HIS 23 -5.242 0.902 10.020 160 HE1 HIS 23 HE1 HIS 23 -7.678 -1.763 12.206 161 H VAL 24 HN VAL 24 -8.966 -3.165 7.416 162 HA VAL 24 HA VAL 24 -10.647 -2.296 5.182 163 HB VAL 24 HB VAL 24 -11.298 -4.517 7.095 164 HG11 VAL 24 HG11 VAL 24 -12.322 -5.473 5.027 165 HG12 VAL 24 HG12 VAL 24 -11.881 -4.012 4.164 166 HG13 VAL 24 HG13 VAL 24 -13.022 -3.925 5.491 167 HG21 VAL 24 HG21 VAL 24 -10.046 -5.967 5.382 168 HG22 VAL 24 HG22 VAL 24 -9.050 -5.014 6.481 169 HG23 VAL 24 HG23 VAL 24 -9.300 -4.469 4.821 170 H THR 25 HN THR 25 -12.267 -0.809 5.443 171 HA THR 25 HA THR 25 -13.090 -0.125 8.188 172 HB THR 25 HB THR 25 -14.190 1.755 7.171 173 HG1 THR 25 HG1 THR 25 -13.815 0.253 4.817 174 HG21 THR 25 HG21 THR 25 -11.616 1.180 5.686 175 HG22 THR 25 HG22 THR 25 -11.718 1.839 7.319 176 HG23 THR 25 HG23 THR 25 -12.327 2.772 5.952 177 H ASP 26 HN ASP 26 -14.881 -0.962 5.183 178 HA ASP 26 HA ASP 26 -17.383 -1.302 6.506 179 HB2 ASP 26 HB2 ASP 26 -17.300 -1.011 4.108 180 HB3 ASP 26 HB1 ASP 26 -16.352 -2.486 3.914 181 H VAL 27 HN VAL 27 -14.729 -3.010 7.232 182 HA VAL 27 HA VAL 27 -16.349 -5.424 7.973 183 HB VAL 27 HB VAL 27 -13.513 -5.634 6.971 184 HG11 VAL 27 HG11 VAL 27 -13.975 -7.998 6.933 185 HG12 VAL 27 HG12 VAL 27 -15.685 -7.719 7.253 186 HG13 VAL 27 HG13 VAL 27 -14.491 -7.393 8.507 187 HG21 VAL 27 HG21 VAL 27 -15.066 -4.836 5.154 188 HG22 VAL 27 HG22 VAL 27 -16.068 -6.251 5.457 189 HG23 VAL 27 HG23 VAL 27 -14.425 -6.449 4.856 190 H ASN 28 HN ASN 28 -13.762 -3.201 8.663 191 HA ASN 28 HA ASN 28 -12.892 -2.560 10.709 192 HB2 ASN 28 HB2 ASN 28 -15.255 -3.511 11.348 193 HB3 ASN 28 HB1 ASN 28 -14.302 -4.769 12.120 194 HD21 ASN 28 HD21 ASN 28 -15.369 -1.468 12.407 195 HD22 ASN 28 HD22 ASN 28 -14.521 -1.097 13.831 196 H ARG 29 HN ARG 29 -11.901 -4.996 9.074 197 HA ARG 29 HA ARG 29 -10.076 -6.100 11.209 198 HB2 ARG 29 HB2 ARG 29 -9.525 -7.832 9.339 199 HB3 ARG 29 HB1 ARG 29 -11.031 -8.026 10.236 200 HG2 ARG 29 HG2 ARG 29 -12.231 -6.839 8.431 201 HG3 ARG 29 HG1 ARG 29 -10.725 -6.719 7.524 202 HD2 ARG 29 HD2 ARG 29 -10.631 -9.325 7.846 203 HD3 ARG 29 HD1 ARG 29 -12.361 -9.163 8.149 204 HE ARG 29 HE ARG 29 -12.667 -8.644 5.857 205 HH11 ARG 29 HH21 ARG 29 -9.365 -8.519 6.833 206 HH12 ARG 29 HH22 ARG 29 -8.755 -8.354 5.220 207 HH21 ARG 29 HH11 ARG 29 -11.892 -8.419 3.746 208 HH22 ARG 29 HH12 ARG 29 -10.187 -8.295 3.472 209 H ASP 30 HN ASP 30 -7.837 -6.721 9.798 210 HA ASP 30 HA ASP 30 -7.295 -4.470 7.946 211 HB2 ASP 30 HB2 ASP 30 -5.082 -4.151 9.450 212 HB3 ASP 30 HB1 ASP 30 -6.564 -3.254 9.772 213 H VAL 31 HN VAL 31 -5.437 -4.692 6.748 214 HA VAL 31 HA VAL 31 -3.923 -7.227 6.878 215 HB VAL 31 HB VAL 31 -5.169 -6.259 4.287 216 HG11 VAL 31 HG11 VAL 31 -3.950 -8.868 5.238 217 HG12 VAL 31 HG12 VAL 31 -3.289 -7.766 4.031 218 HG13 VAL 31 HG13 VAL 31 -4.759 -8.675 3.685 219 HG21 VAL 31 HG21 VAL 31 -7.031 -6.753 5.774 220 HG22 VAL 31 HG22 VAL 31 -6.277 -8.268 6.273 221 HG23 VAL 31 HG23 VAL 31 -6.866 -8.076 4.622 222 H THR 32 HN THR 32 -1.873 -6.888 5.466 223 HA THR 32 HA THR 32 -1.374 -3.982 4.961 224 HB THR 32 HB THR 32 0.822 -4.216 5.998 225 HG1 THR 32 HG1 THR 32 -0.061 -6.803 6.723 226 HG21 THR 32 HG21 THR 32 0.092 -3.996 8.189 227 HG22 THR 32 HG22 THR 32 -1.025 -5.353 8.055 228 HG23 THR 32 HG23 THR 32 -1.437 -3.798 7.333 229 H LEU 33 HN LEU 33 0.071 -3.494 3.347 230 HA LEU 33 HA LEU 33 0.557 -5.710 1.430 231 HB2 LEU 33 HB2 LEU 33 0.447 -2.713 1.186 232 HB3 LEU 33 HB1 LEU 33 1.334 -3.629 -0.016 233 HG LEU 33 HG LEU 33 -0.921 -3.190 -0.776 234 HD11 LEU 33 HD11 LEU 33 0.312 -5.528 -1.055 235 HD12 LEU 33 HD12 LEU 33 -1.327 -5.275 -1.646 236 HD13 LEU 33 HD13 LEU 33 -1.069 -6.101 -0.119 237 HD21 LEU 33 HD21 LEU 33 -2.209 -4.938 1.249 238 HD22 LEU 33 HD22 LEU 33 -2.804 -3.490 0.440 239 HD23 LEU 33 HD23 LEU 33 -1.716 -3.340 1.810 240 H ARG 34 HN ARG 34 2.533 -6.087 0.639 241 HA ARG 34 HA ARG 34 4.882 -4.837 2.050 242 HB2 ARG 34 HB2 ARG 34 4.418 -7.411 2.306 243 HB3 ARG 34 HB1 ARG 34 4.949 -7.501 0.630 244 HG2 ARG 34 HG2 ARG 34 6.971 -7.830 1.745 245 HG3 ARG 34 HG1 ARG 34 7.003 -6.086 1.494 246 HD2 ARG 34 HD2 ARG 34 7.538 -6.253 3.767 247 HD3 ARG 34 HD1 ARG 34 5.794 -6.009 3.835 248 HE ARG 34 HE ARG 34 6.398 -8.819 3.694 249 HH11 ARG 34 HH21 ARG 34 6.453 -6.039 5.732 250 HH12 ARG 34 HH22 ARG 34 6.269 -6.944 7.197 251 HH21 ARG 34 HH11 ARG 34 6.156 -10.018 5.597 252 HH22 ARG 34 HH12 ARG 34 6.103 -9.197 7.121 253 H VAL 35 HN VAL 35 5.087 -3.155 0.503 254 HA VAL 35 HA VAL 35 6.014 -4.015 -2.184 255 HB VAL 35 HB VAL 35 4.449 -2.418 -3.267 256 HG11 VAL 35 HG11 VAL 35 2.541 -3.853 -3.213 257 HG12 VAL 35 HG12 VAL 35 2.910 -4.400 -1.579 258 HG13 VAL 35 HG13 VAL 35 3.936 -4.892 -2.929 259 HG21 VAL 35 HG21 VAL 35 3.749 -0.824 -1.739 260 HG22 VAL 35 HG22 VAL 35 3.672 -1.960 -0.401 261 HG23 VAL 35 HG23 VAL 35 2.384 -1.922 -1.597 262 H THR 36 HN THR 36 6.145 -1.691 -3.481 263 HA THR 36 HA THR 36 7.628 0.225 -1.720 264 HB THR 36 HB THR 36 9.243 0.482 -3.683 265 HG1 THR 36 HG1 THR 36 8.787 -0.687 -5.349 266 HG21 THR 36 HG21 THR 36 10.197 -0.560 -1.833 267 HG22 THR 36 HG22 THR 36 10.380 -1.807 -3.068 268 HG23 THR 36 HG23 THR 36 9.080 -1.925 -1.884 269 H GLY 37 HN GLY 37 8.123 2.227 -3.182 270 HA2 GLY 37 HA2 GLY 37 5.676 3.428 -3.904 271 HA3 GLY 37 HA1 GLY 37 7.257 4.055 -4.325 272 H GLU 38 HN GLU 38 6.770 0.893 -5.443 273 HA GLU 38 HA GLU 38 6.434 1.928 -8.221 274 HB2 GLU 38 HB2 GLU 38 7.644 -0.015 -8.909 275 HB3 GLU 38 HB1 GLU 38 8.459 0.594 -7.470 276 HG2 GLU 38 HG2 GLU 38 8.299 -1.659 -6.912 277 HG3 GLU 38 HG1 GLU 38 6.812 -1.033 -6.190 278 H VAL 39 HN VAL 39 4.744 0.058 -5.836 279 HA VAL 39 HA VAL 39 3.349 -1.636 -7.721 280 HB VAL 39 HB VAL 39 3.509 -2.321 -5.413 281 HG11 VAL 39 HG11 VAL 39 3.615 -0.292 -4.225 282 HG12 VAL 39 HG12 VAL 39 2.112 -1.036 -3.705 283 HG13 VAL 39 HG13 VAL 39 2.085 0.280 -4.868 284 HG21 VAL 39 HG21 VAL 39 1.200 -2.898 -4.990 285 HG22 VAL 39 HG22 VAL 39 1.477 -2.948 -6.730 286 HG23 VAL 39 HG23 VAL 39 0.633 -1.577 -6.012 287 H HIS 40 HN HIS 40 1.435 -1.314 -8.764 288 HA HIS 40 HA HIS 40 0.532 1.414 -9.135 289 HB2 HIS 40 HB2 HIS 40 -0.474 -1.289 -10.027 290 HB3 HIS 40 HB1 HIS 40 -1.383 0.177 -10.366 291 HD1 HIS 40 HD1 HIS 40 -0.687 -0.730 -12.922 292 HD2 HIS 40 HD2 HIS 40 2.306 1.031 -10.614 293 HE1 HIS 40 HE1 HIS 40 1.159 -0.068 -14.524 294 H ILE 41 HN ILE 41 -1.433 2.372 -8.316 295 HA ILE 41 HA ILE 41 -2.310 1.482 -5.746 296 HB ILE 41 HB ILE 41 -4.012 2.970 -7.748 297 HG12 ILE 41 HG12 ILE 41 -1.921 4.054 -5.841 298 HG13 ILE 41 HG11 ILE 41 -1.755 3.990 -7.592 299 HG21 ILE 41 HG21 ILE 41 -4.877 2.066 -5.440 300 HG22 ILE 41 HG22 ILE 41 -5.245 3.720 -5.916 301 HG23 ILE 41 HG23 ILE 41 -3.941 3.403 -4.770 302 HD11 ILE 41 HD11 ILE 41 -2.909 6.065 -6.069 303 HD12 ILE 41 HD12 ILE 41 -4.254 5.288 -6.897 304 HD13 ILE 41 HD13 ILE 41 -2.888 5.904 -7.821 305 H GLY 42 HN GLY 42 -3.699 1.149 -8.978 306 HA2 GLY 42 HA2 GLY 42 -5.773 -0.697 -8.257 307 HA3 GLY 42 HA1 GLY 42 -5.100 -0.488 -9.884 308 H GLY 43 HN GLY 43 -2.494 -0.969 -7.947 309 HA2 GLY 43 HA2 GLY 43 -2.448 -3.919 -8.478 310 HA3 GLY 43 HA1 GLY 43 -1.014 -2.888 -8.406 311 H VAL 44 HN VAL 44 -2.183 -1.364 -6.157 312 HA VAL 44 HA VAL 44 -1.048 -2.853 -3.987 313 HB VAL 44 HB VAL 44 -2.610 -0.339 -4.376 314 HG11 VAL 44 HG11 VAL 44 -2.727 -0.055 -1.835 315 HG12 VAL 44 HG12 VAL 44 -2.511 -1.802 -1.744 316 HG13 VAL 44 HG13 VAL 44 -3.915 -1.132 -2.568 317 HG21 VAL 44 HG21 VAL 44 -0.203 -0.188 -4.358 318 HG22 VAL 44 HG22 VAL 44 -0.103 -1.074 -2.838 319 HG23 VAL 44 HG23 VAL 44 -0.789 0.548 -2.870 320 H MET 45 HN MET 45 -4.323 -2.383 -5.234 321 HA MET 45 HA MET 45 -5.618 -3.920 -3.156 322 HB2 MET 45 HB2 MET 45 -7.212 -4.108 -5.508 323 HB3 MET 45 HB1 MET 45 -7.417 -2.989 -4.169 324 HG2 MET 45 HG2 MET 45 -6.012 -1.337 -5.244 325 HG3 MET 45 HG1 MET 45 -5.574 -2.476 -6.514 326 HE1 MET 45 HE1 MET 45 -9.447 -0.136 -5.940 327 HE2 MET 45 HE2 MET 45 -7.862 0.144 -5.232 328 HE3 MET 45 HE3 MET 45 -8.839 -1.211 -4.675 329 H LEU 46 HN LEU 46 -4.419 -4.727 -6.408 330 HA LEU 46 HA LEU 46 -5.239 -7.482 -6.244 331 HB2 LEU 46 HB2 LEU 46 -2.916 -6.361 -7.836 332 HB3 LEU 46 HB1 LEU 46 -3.808 -7.843 -8.167 333 HG LEU 46 HG LEU 46 -5.062 -5.086 -8.161 334 HD11 LEU 46 HD11 LEU 46 -3.301 -5.491 -9.965 335 HD12 LEU 46 HD12 LEU 46 -4.914 -5.087 -10.549 336 HD13 LEU 46 HD13 LEU 46 -4.358 -6.760 -10.581 337 HD21 LEU 46 HD21 LEU 46 -6.014 -7.862 -8.894 338 HD22 LEU 46 HD22 LEU 46 -6.800 -6.423 -9.542 339 HD23 LEU 46 HD23 LEU 46 -6.762 -6.697 -7.803 340 H LYS 47 HN LYS 47 -2.027 -5.977 -5.853 341 HA LYS 47 HA LYS 47 -0.664 -8.221 -4.927 342 HB2 LYS 47 HB2 LYS 47 0.263 -5.880 -5.300 343 HB3 LYS 47 HB1 LYS 47 -0.385 -5.450 -3.731 344 HG2 LYS 47 HG2 LYS 47 1.787 -6.077 -3.157 345 HG3 LYS 47 HG1 LYS 47 0.900 -7.576 -2.899 346 HD2 LYS 47 HD2 LYS 47 2.651 -8.387 -4.203 347 HD3 LYS 47 HD1 LYS 47 1.510 -7.974 -5.481 348 HE2 LYS 47 HE2 LYS 47 3.352 -6.859 -6.308 349 HE3 LYS 47 HE1 LYS 47 2.755 -5.584 -5.242 350 HZ1 LYS 47 HZ1 LYS 47 5.051 -7.361 -4.927 351 HZ2 LYS 47 HZ2 LYS 47 4.198 -6.946 -3.516 352 HZ3 LYS 47 HZ3 LYS 47 4.874 -5.731 -4.494 353 H LEU 48 HN LEU 48 -3.100 -6.304 -3.379 354 HA LEU 48 HA LEU 48 -2.740 -7.579 -0.755 355 HB2 LEU 48 HB2 LEU 48 -3.442 -5.317 -0.688 356 HB3 LEU 48 HB1 LEU 48 -4.673 -5.576 -1.893 357 HG LEU 48 HG LEU 48 -6.021 -6.847 -0.373 358 HD11 LEU 48 HD11 LEU 48 -3.522 -6.830 1.316 359 HD12 LEU 48 HD12 LEU 48 -4.542 -8.189 0.871 360 HD13 LEU 48 HD13 LEU 48 -5.099 -7.035 2.073 361 HD21 LEU 48 HD21 LEU 48 -6.309 -5.196 1.470 362 HD22 LEU 48 HD22 LEU 48 -6.217 -4.438 -0.118 363 HD23 LEU 48 HD23 LEU 48 -4.829 -4.408 0.962 364 H VAL 49 HN VAL 49 -5.385 -7.414 -3.181 365 HA VAL 49 HA VAL 49 -6.953 -9.470 -1.998 366 HB VAL 49 HB VAL 49 -6.651 -8.757 -4.933 367 HG11 VAL 49 HG11 VAL 49 -8.706 -10.392 -3.432 368 HG12 VAL 49 HG12 VAL 49 -7.703 -10.906 -4.788 369 HG13 VAL 49 HG13 VAL 49 -8.994 -9.733 -5.042 370 HG21 VAL 49 HG21 VAL 49 -8.315 -7.137 -4.611 371 HG22 VAL 49 HG22 VAL 49 -7.420 -7.001 -3.097 372 HG23 VAL 49 HG23 VAL 49 -8.928 -7.909 -3.151 373 H GLU 50 HN GLU 50 -4.215 -9.557 -4.207 374 HA GLU 50 HA GLU 50 -4.251 -12.380 -4.681 375 HB2 GLU 50 HB2 GLU 50 -2.017 -10.337 -4.714 376 HB3 GLU 50 HB1 GLU 50 -1.793 -12.022 -5.185 377 HG2 GLU 50 HG2 GLU 50 -3.517 -11.807 -6.895 378 HG3 GLU 50 HG1 GLU 50 -3.840 -10.156 -6.402 379 H LYS 51 HN LYS 51 -2.684 -10.343 -2.174 380 HA LYS 51 HA LYS 51 -1.277 -12.429 -0.854 381 HB2 LYS 51 HB2 LYS 51 -2.292 -9.727 -0.134 382 HB3 LYS 51 HB1 LYS 51 -1.965 -10.788 1.217 383 HG2 LYS 51 HG2 LYS 51 0.329 -11.162 0.364 384 HG3 LYS 51 HG1 LYS 51 -0.012 -10.087 -0.989 385 HD2 LYS 51 HD2 LYS 51 1.190 -8.867 0.769 386 HD3 LYS 51 HD1 LYS 51 -0.444 -8.235 0.587 387 HE2 LYS 51 HE2 LYS 51 0.512 -8.750 2.998 388 HE3 LYS 51 HE1 LYS 51 -1.166 -9.125 2.615 389 HZ1 LYS 51 HZ1 LYS 51 1.013 -11.096 2.262 390 HZ2 LYS 51 HZ2 LYS 51 -0.661 -11.379 2.323 391 HZ3 LYS 51 HZ3 LYS 51 0.179 -10.928 3.729 392 H LEU 52 HN LEU 52 -4.507 -11.068 -0.019 393 HA LEU 52 HA LEU 52 -5.158 -13.079 1.891 394 HB2 LEU 52 HB2 LEU 52 -6.987 -11.486 0.072 395 HB3 LEU 52 HB1 LEU 52 -7.527 -12.416 1.466 396 HG LEU 52 HG LEU 52 -5.467 -10.198 1.632 397 HD11 LEU 52 HD11 LEU 52 -7.253 -8.746 2.412 398 HD12 LEU 52 HD12 LEU 52 -8.422 -10.061 2.298 399 HD13 LEU 52 HD13 LEU 52 -7.702 -9.391 0.834 400 HD21 LEU 52 HD21 LEU 52 -6.934 -11.919 3.636 401 HD22 LEU 52 HD22 LEU 52 -6.402 -10.304 4.093 402 HD23 LEU 52 HD23 LEU 52 -5.223 -11.501 3.572 403 H ASP 53 HN ASP 53 -6.510 -14.968 1.663 404 HA ASP 53 HA ASP 53 -6.035 -16.398 -0.864 405 HB2 ASP 53 HB2 ASP 53 -7.578 -17.359 1.558 406 HB3 ASP 53 HB1 ASP 53 -6.829 -18.345 0.301 407 H VAL 54 HN VAL 54 -8.782 -15.062 0.931 408 HA VAL 54 HA VAL 54 -10.863 -16.177 -0.659 409 HB VAL 54 HB VAL 54 -10.855 -13.444 0.652 410 HG11 VAL 54 HG11 VAL 54 -13.066 -15.402 -0.045 411 HG12 VAL 54 HG12 VAL 54 -12.762 -13.853 -0.832 412 HG13 VAL 54 HG13 VAL 54 -13.292 -13.898 0.849 413 HG21 VAL 54 HG21 VAL 54 -11.692 -14.587 2.651 414 HG22 VAL 54 HG22 VAL 54 -10.120 -15.252 2.205 415 HG23 VAL 54 HG23 VAL 54 -11.594 -16.144 1.828 416 H LYS 55 HN LYS 55 -11.621 -15.658 -2.674 417 HA LYS 55 HA LYS 55 -10.062 -13.838 -4.327 418 HB2 LYS 55 HB2 LYS 55 -11.966 -14.391 -6.008 419 HB3 LYS 55 HB1 LYS 55 -10.913 -15.709 -5.495 420 HG2 LYS 55 HG2 LYS 55 -12.533 -16.552 -3.968 421 HG3 LYS 55 HG1 LYS 55 -13.505 -15.084 -4.072 422 HD2 LYS 55 HD2 LYS 55 -14.110 -15.571 -6.367 423 HD3 LYS 55 HD1 LYS 55 -13.001 -16.942 -6.412 424 HE2 LYS 55 HE2 LYS 55 -15.182 -17.860 -6.042 425 HE3 LYS 55 HE1 LYS 55 -14.346 -17.938 -4.492 426 HZ1 LYS 55 HZ1 LYS 55 -16.761 -16.752 -4.971 427 HZ2 LYS 55 HZ2 LYS 55 -15.681 -15.444 -4.868 428 HZ3 LYS 55 HZ3 LYS 55 -15.803 -16.551 -3.586 429 H LYS 56 HN LYS 56 -10.459 -11.884 -2.988 430 HA LYS 56 HA LYS 56 -13.165 -10.799 -2.882 431 HB2 LYS 56 HB2 LYS 56 -10.827 -10.357 -1.454 432 HB3 LYS 56 HB1 LYS 56 -10.911 -8.914 -2.450 433 HG2 LYS 56 HG2 LYS 56 -12.156 -8.272 -0.572 434 HG3 LYS 56 HG1 LYS 56 -13.416 -8.823 -1.673 435 HD2 LYS 56 HD2 LYS 56 -14.013 -9.983 0.260 436 HD3 LYS 56 HD1 LYS 56 -12.972 -11.174 -0.520 437 HE2 LYS 56 HE2 LYS 56 -12.134 -11.118 1.674 438 HE3 LYS 56 HE1 LYS 56 -11.051 -10.012 0.829 439 HZ1 LYS 56 HZ1 LYS 56 -13.459 -8.804 1.882 440 HZ2 LYS 56 HZ2 LYS 56 -11.853 -8.251 1.928 441 HZ3 LYS 56 HZ3 LYS 56 -12.393 -9.397 3.060 442 H ASP 57 HN ASP 57 -13.533 -8.544 -3.762 443 HA ASP 57 HA ASP 57 -13.051 -8.605 -6.631 444 HB2 ASP 57 HB2 ASP 57 -14.255 -6.313 -5.097 445 HB3 ASP 57 HB1 ASP 57 -14.605 -6.839 -6.742 446 H TRP 58 HN TRP 58 -11.966 -6.913 -7.826 447 HA TRP 58 HA TRP 58 -9.660 -5.786 -6.413 448 HB2 TRP 58 HB2 TRP 58 -9.155 -5.171 -8.904 449 HB3 TRP 58 HB1 TRP 58 -9.015 -6.829 -8.401 450 HD1 TRP 58 HD1 TRP 58 -12.527 -5.459 -8.874 451 HE1 TRP 58 HE1 TRP 58 -13.559 -6.512 -10.978 452 HE3 TRP 58 HE3 TRP 58 -8.414 -7.804 -10.811 453 HZ2 TRP 58 HZ2 TRP 58 -12.764 -8.126 -13.191 454 HZ3 TRP 58 HZ3 TRP 58 -8.588 -9.091 -12.923 455 HH2 TRP 58 HH2 TRP 58 -10.756 -9.254 -14.114 456 H SER 59 HN SER 59 -10.806 -4.303 -9.236 457 HA SER 59 HA SER 59 -10.709 -1.650 -8.336 458 HB2 SER 59 HB2 SER 59 -12.533 -2.757 -10.487 459 HB3 SER 59 HB1 SER 59 -12.044 -1.074 -10.313 460 HG SER 59 HG SER 59 -10.681 -2.047 -11.784 461 H ASP 60 HN ASP 60 -13.569 -3.802 -8.405 462 HA ASP 60 HA ASP 60 -15.550 -1.992 -7.670 463 HB2 ASP 60 HB2 ASP 60 -15.717 -4.556 -8.037 464 HB3 ASP 60 HB1 ASP 60 -15.372 -4.680 -6.314 465 H HIS 61 HN HIS 61 -13.221 -3.604 -5.479 466 HA HIS 61 HA HIS 61 -14.268 -2.193 -3.166 467 HB2 HIS 61 HB2 HIS 61 -11.696 -3.751 -3.535 468 HB3 HIS 61 HB1 HIS 61 -12.326 -3.164 -1.998 469 HD1 HIS 61 HD1 HIS 61 -15.379 -3.850 -2.990 470 HD2 HIS 61 HD2 HIS 61 -12.153 -6.467 -2.651 471 HE1 HIS 61 HE1 HIS 61 -16.362 -6.168 -2.712 472 H ALA 62 HN ALA 62 -12.423 -0.931 -1.833 473 HA ALA 62 HA ALA 62 -10.669 0.673 -3.594 474 HB1 ALA 62 HB1 ALA 62 -12.840 2.047 -1.999 475 HB2 ALA 62 HB2 ALA 62 -13.016 1.661 -3.714 476 HB3 ALA 62 HB3 ALA 62 -11.749 2.765 -3.185 477 H LEU 63 HN LEU 63 -9.124 1.957 -2.359 478 HA LEU 63 HA LEU 63 -8.901 1.068 0.453 479 HB2 LEU 63 HB2 LEU 63 -6.931 2.673 -1.167 480 HB3 LEU 63 HB1 LEU 63 -6.629 1.890 0.370 481 HG LEU 63 HG LEU 63 -5.661 0.477 -1.249 482 HD11 LEU 63 HD11 LEU 63 -8.352 -0.779 -0.864 483 HD12 LEU 63 HD12 LEU 63 -7.214 -0.579 0.467 484 HD13 LEU 63 HD13 LEU 63 -6.781 -1.571 -0.925 485 HD21 LEU 63 HD21 LEU 63 -6.477 -0.033 -3.357 486 HD22 LEU 63 HD22 LEU 63 -7.174 1.574 -3.146 487 HD23 LEU 63 HD23 LEU 63 -8.163 0.140 -2.870 488 H TRP 64 HN TRP 64 -9.751 2.392 2.020 489 HA TRP 64 HA TRP 64 -10.120 5.266 1.327 490 HB2 TRP 64 HB2 TRP 64 -11.771 3.746 2.721 491 HB3 TRP 64 HB1 TRP 64 -10.691 4.092 4.052 492 HD1 TRP 64 HD1 TRP 64 -11.993 6.496 1.274 493 HE1 TRP 64 HE1 TRP 64 -13.041 8.531 2.446 494 HE3 TRP 64 HE3 TRP 64 -11.552 5.041 6.148 495 HZ2 TRP 64 HZ2 TRP 64 -13.629 9.425 5.098 496 HZ3 TRP 64 HZ3 TRP 64 -12.370 6.498 7.976 497 HH2 TRP 64 HH2 TRP 64 -13.410 8.687 7.457 498 H TRP 65 HN TRP 65 -8.596 6.820 1.910 499 HA TRP 65 HA TRP 65 -6.455 5.936 3.823 500 HB2 TRP 65 HB2 TRP 65 -5.747 6.130 1.471 501 HB3 TRP 65 HB1 TRP 65 -6.271 7.800 1.468 502 HD1 TRP 65 HD1 TRP 65 -3.767 8.269 0.694 503 HE1 TRP 65 HE1 TRP 65 -1.648 8.760 2.049 504 HE3 TRP 65 HE3 TRP 65 -5.089 6.378 5.331 505 HZ2 TRP 65 HZ2 TRP 65 -0.636 8.433 4.663 506 HZ3 TRP 65 HZ3 TRP 65 -3.506 6.514 7.194 507 HH2 TRP 65 HH2 TRP 65 -1.280 7.533 6.877 508 H GLU 66 HN GLU 66 -6.630 7.043 5.713 509 HA GLU 66 HA GLU 66 -8.193 9.250 6.276 510 HB2 GLU 66 HB2 GLU 66 -5.619 8.294 7.535 511 HB3 GLU 66 HB1 GLU 66 -6.748 9.404 8.277 512 HG2 GLU 66 HG2 GLU 66 -7.806 6.790 7.266 513 HG3 GLU 66 HG1 GLU 66 -6.905 6.802 8.772 514 H LYS 67 HN LYS 67 -4.876 9.242 4.923 515 HA LYS 67 HA LYS 67 -4.019 11.806 5.578 516 HB2 LYS 67 HB2 LYS 67 -2.615 10.426 4.257 517 HB3 LYS 67 HB1 LYS 67 -3.814 10.325 2.964 518 HG2 LYS 67 HG2 LYS 67 -3.458 12.541 2.289 519 HG3 LYS 67 HG1 LYS 67 -2.731 12.996 3.829 520 HD2 LYS 67 HD2 LYS 67 -0.696 11.919 3.338 521 HD3 LYS 67 HD1 LYS 67 -1.421 10.945 2.063 522 HE2 LYS 67 HE2 LYS 67 -1.491 12.745 0.552 523 HE3 LYS 67 HE1 LYS 67 -1.368 13.944 1.839 524 HZ1 LYS 67 HZ1 LYS 67 0.777 13.984 1.247 525 HZ2 LYS 67 HZ2 LYS 67 0.715 12.469 0.480 526 HZ3 LYS 67 HZ3 LYS 67 0.901 12.564 2.166 527 H LYS 68 HN LYS 68 -6.131 10.976 2.827 528 HA LYS 68 HA LYS 68 -7.182 13.790 2.879 529 HB2 LYS 68 HB2 LYS 68 -6.380 12.008 0.581 530 HB3 LYS 68 HB1 LYS 68 -7.667 13.189 0.342 531 HG2 LYS 68 HG2 LYS 68 -5.079 14.080 1.606 532 HG3 LYS 68 HG1 LYS 68 -5.149 13.854 -0.140 533 HD2 LYS 68 HD2 LYS 68 -6.846 15.499 -0.398 534 HD3 LYS 68 HD1 LYS 68 -7.208 15.515 1.326 535 HE2 LYS 68 HE2 LYS 68 -5.907 17.495 0.799 536 HE3 LYS 68 HE1 LYS 68 -4.897 16.403 1.744 537 HZ1 LYS 68 HZ1 LYS 68 -4.011 17.465 -0.448 538 HZ2 LYS 68 HZ2 LYS 68 -4.862 16.191 -1.181 539 HZ3 LYS 68 HZ3 LYS 68 -3.630 15.858 -0.060 540 H ARG 69 HN ARG 69 -7.973 11.181 4.143 541 HA ARG 69 HA ARG 69 -9.795 9.669 4.214 542 HB2 ARG 69 HB2 ARG 69 -11.914 11.033 4.731 543 HB3 ARG 69 HB1 ARG 69 -10.534 11.244 5.796 544 HG2 ARG 69 HG2 ARG 69 -10.801 13.095 3.443 545 HG3 ARG 69 HG1 ARG 69 -11.863 13.344 4.817 546 HD2 ARG 69 HD2 ARG 69 -10.033 13.673 6.310 547 HD3 ARG 69 HD1 ARG 69 -8.866 13.079 5.135 548 HE ARG 69 HE ARG 69 -10.200 15.343 4.023 549 HH11 ARG 69 HH21 ARG 69 -8.009 14.414 6.518 550 HH12 ARG 69 HH22 ARG 69 -7.185 15.937 6.544 551 HH21 ARG 69 HH11 ARG 69 -9.139 17.339 4.047 552 HH22 ARG 69 HH12 ARG 69 -7.827 17.595 5.149 553 H THR 70 HN THR 70 -9.094 9.791 1.625 554 HA THR 70 HA THR 70 -11.707 9.917 0.159 555 HB THR 70 HB THR 70 -9.980 11.684 -0.465 556 HG1 THR 70 HG1 THR 70 -10.187 11.172 -2.726 557 HG21 THR 70 HG21 THR 70 -8.492 9.406 -1.766 558 HG22 THR 70 HG22 THR 70 -8.072 9.950 -0.141 559 HG23 THR 70 HG23 THR 70 -7.952 11.066 -1.504 560 H TRP 71 HN TRP 71 -10.827 8.690 -2.141 561 HA TRP 71 HA TRP 71 -9.956 5.980 -1.228 562 HB2 TRP 71 HB2 TRP 71 -11.635 6.382 -3.684 563 HB3 TRP 71 HB1 TRP 71 -11.539 5.002 -2.610 564 HD1 TRP 71 HD1 TRP 71 -13.252 4.828 -0.708 565 HE1 TRP 71 HE1 TRP 71 -15.139 6.347 0.173 566 HE3 TRP 71 HE3 TRP 71 -12.292 9.069 -3.386 567 HZ2 TRP 71 HZ2 TRP 71 -16.111 9.011 -0.206 568 HZ3 TRP 71 HZ3 TRP 71 -13.713 11.080 -3.107 569 HH2 TRP 71 HH2 TRP 71 -15.620 11.056 -1.523 570 H LEU 72 HN LEU 72 -8.639 4.828 -2.724 571 HA LEU 72 HA LEU 72 -7.116 6.583 -4.605 572 HB2 LEU 72 HB2 LEU 72 -6.228 3.815 -3.819 573 HB3 LEU 72 HB1 LEU 72 -5.255 5.239 -4.196 574 HG LEU 72 HG LEU 72 -6.938 4.916 -1.701 575 HD11 LEU 72 HD11 LEU 72 -4.945 4.467 -0.524 576 HD12 LEU 72 HD12 LEU 72 -3.936 4.914 -1.899 577 HD13 LEU 72 HD13 LEU 72 -4.885 3.427 -1.946 578 HD21 LEU 72 HD21 LEU 72 -5.692 6.940 -0.976 579 HD22 LEU 72 HD22 LEU 72 -6.676 7.253 -2.405 580 HD23 LEU 72 HD23 LEU 72 -4.934 7.021 -2.566 581 H LEU 73 HN LEU 73 -7.840 6.408 -6.666 582 HA LEU 73 HA LEU 73 -9.094 3.865 -7.566 583 HB2 LEU 73 HB2 LEU 73 -9.172 6.639 -8.771 584 HB3 LEU 73 HB1 LEU 73 -10.047 5.241 -9.364 585 HG LEU 73 HG LEU 73 -11.561 6.597 -8.047 586 HD11 LEU 73 HD11 LEU 73 -12.473 4.921 -6.708 587 HD12 LEU 73 HD12 LEU 73 -10.897 4.338 -6.176 588 HD13 LEU 73 HD13 LEU 73 -11.461 3.991 -7.812 589 HD21 LEU 73 HD21 LEU 73 -11.091 7.536 -5.998 590 HD22 LEU 73 HD22 LEU 73 -9.439 7.433 -6.596 591 HD23 LEU 73 HD23 LEU 73 -10.055 6.207 -5.492 592 H LYS 74 HN LYS 74 -7.520 6.362 -9.534 593 HA LYS 74 HA LYS 74 -6.610 4.560 -11.427 594 HB2 LYS 74 HB2 LYS 74 -5.497 6.317 -12.475 595 HB3 LYS 74 HB1 LYS 74 -6.853 7.044 -11.631 596 HG2 LYS 74 HG2 LYS 74 -4.157 6.912 -10.308 597 HG3 LYS 74 HG1 LYS 74 -4.508 8.158 -11.476 598 HD2 LYS 74 HD2 LYS 74 -5.099 9.169 -9.457 599 HD3 LYS 74 HD1 LYS 74 -6.641 8.637 -10.073 600 HE2 LYS 74 HE2 LYS 74 -6.960 7.364 -8.220 601 HE3 LYS 74 HE1 LYS 74 -5.427 6.542 -8.465 602 HZ1 LYS 74 HZ1 LYS 74 -4.552 7.696 -6.818 603 HZ2 LYS 74 HZ2 LYS 74 -6.059 8.426 -6.530 604 HZ3 LYS 74 HZ3 LYS 74 -4.942 9.161 -7.578 605 H THR 75 HN THR 75 -4.685 3.696 -12.011 606 HA THR 75 HA THR 75 -3.039 2.712 -9.813 607 HB THR 75 HB THR 75 -3.277 1.044 -11.420 608 HG1 THR 75 HG1 THR 75 -1.294 0.777 -12.106 609 HG21 THR 75 HG21 THR 75 -3.043 1.718 -13.938 610 HG22 THR 75 HG22 THR 75 -3.339 3.357 -13.353 611 HG23 THR 75 HG23 THR 75 -4.542 2.092 -13.090 612 H HIS 76 HN HIS 76 -2.505 4.707 -12.690 613 HA HIS 76 HA HIS 76 0.162 5.209 -12.702 614 HB2 HIS 76 HB2 HIS 76 -2.211 6.999 -13.125 615 HB3 HIS 76 HB1 HIS 76 -0.604 7.719 -13.162 616 HD1 HIS 76 HD1 HIS 76 1.002 6.954 -15.081 617 HD2 HIS 76 HD2 HIS 76 -2.820 5.305 -15.313 618 HE1 HIS 76 HE1 HIS 76 0.799 5.939 -17.391 619 H TRP 77 HN TRP 77 -2.073 7.042 -10.607 620 HA TRP 77 HA TRP 77 0.014 8.466 -9.241 621 HB2 TRP 77 HB2 TRP 77 -2.889 8.021 -8.763 622 HB3 TRP 77 HB1 TRP 77 -1.945 8.505 -7.371 623 HD1 TRP 77 HD1 TRP 77 -1.849 11.002 -7.042 624 HE1 TRP 77 HE1 TRP 77 -1.954 13.082 -8.561 625 HE3 TRP 77 HE3 TRP 77 -2.243 8.749 -11.603 626 HZ2 TRP 77 HZ2 TRP 77 -2.173 13.708 -11.343 627 HZ3 TRP 77 HZ3 TRP 77 -2.398 10.106 -13.671 628 HH2 TRP 77 HH2 TRP 77 -2.364 12.582 -13.547 629 H THR 78 HN THR 78 1.262 6.389 -9.157 630 HA THR 78 HA THR 78 0.882 4.273 -7.382 631 HB THR 78 HB THR 78 3.645 5.126 -7.201 632 HG1 THR 78 HG1 THR 78 2.497 5.379 -9.777 633 HG21 THR 78 HG21 THR 78 3.860 3.311 -9.080 634 HG22 THR 78 HG22 THR 78 2.171 2.992 -8.723 635 HG23 THR 78 HG23 THR 78 3.387 2.825 -7.461 636 H LEU 79 HN LEU 79 1.637 4.000 -5.186 637 HA LEU 79 HA LEU 79 0.820 5.879 -3.302 638 HB2 LEU 79 HB2 LEU 79 3.261 4.492 -2.387 639 HB3 LEU 79 HB1 LEU 79 1.621 4.372 -1.781 640 HG LEU 79 HG LEU 79 1.081 2.871 -3.724 641 HD11 LEU 79 HD11 LEU 79 3.831 2.071 -4.257 642 HD12 LEU 79 HD12 LEU 79 3.585 3.748 -4.705 643 HD13 LEU 79 HD13 LEU 79 2.559 2.500 -5.372 644 HD21 LEU 79 HD21 LEU 79 1.434 1.245 -2.198 645 HD22 LEU 79 HD22 LEU 79 2.550 2.282 -1.314 646 HD23 LEU 79 HD23 LEU 79 3.149 1.229 -2.588 647 H ASP 80 HN ASP 80 4.075 5.433 -4.615 648 HA ASP 80 HA ASP 80 5.314 7.561 -3.242 649 HB2 ASP 80 HB2 ASP 80 6.907 6.342 -4.334 650 HB3 ASP 80 HB1 ASP 80 5.871 5.982 -5.691 651 H LYS 81 HN LYS 81 3.583 7.578 -6.393 652 HA LYS 81 HA LYS 81 3.976 10.280 -7.040 653 HB2 LYS 81 HB2 LYS 81 1.998 8.254 -7.727 654 HB3 LYS 81 HB1 LYS 81 1.202 9.803 -7.546 655 HG2 LYS 81 HG2 LYS 81 1.823 9.847 -9.779 656 HG3 LYS 81 HG1 LYS 81 3.136 10.725 -9.039 657 HD2 LYS 81 HD2 LYS 81 4.678 9.162 -9.684 658 HD3 LYS 81 HD1 LYS 81 3.722 7.849 -9.048 659 HE2 LYS 81 HE2 LYS 81 3.825 7.407 -11.364 660 HE3 LYS 81 HE1 LYS 81 2.229 8.124 -11.115 661 HZ1 LYS 81 HZ1 LYS 81 4.139 10.158 -11.543 662 HZ2 LYS 81 HZ2 LYS 81 2.764 9.778 -12.466 663 HZ3 LYS 81 HZ3 LYS 81 4.249 9.023 -12.799 664 H TYR 82 HN TYR 82 1.621 8.842 -4.879 665 HA TYR 82 HA TYR 82 0.469 11.370 -4.058 666 HB2 TYR 82 HB2 TYR 82 -0.073 8.617 -3.626 667 HB3 TYR 82 HB1 TYR 82 0.238 9.268 -2.022 668 HD1 TYR 82 HD1 TYR 82 -1.081 11.282 -1.233 669 HD2 TYR 82 HD2 TYR 82 -2.085 9.116 -4.803 670 HE1 TYR 82 HE1 TYR 82 -3.346 12.291 -1.207 671 HE2 TYR 82 HE2 TYR 82 -4.351 10.123 -4.776 672 HH TYR 82 HH TYR 82 -5.874 11.163 -2.674 673 H GLY 83 HN GLY 83 3.403 9.755 -3.342 674 HA2 GLY 83 HA2 GLY 83 5.212 10.618 -2.050 675 HA3 GLY 83 HA1 GLY 83 4.130 11.863 -1.412 676 H ILE 84 HN ILE 84 3.575 8.418 -1.549 677 HA ILE 84 HA ILE 84 3.052 8.416 1.380 678 HB ILE 84 HB ILE 84 2.107 6.917 -0.994 679 HG12 ILE 84 HG12 ILE 84 0.775 7.274 1.692 680 HG13 ILE 84 HG11 ILE 84 0.802 8.548 0.475 681 HG21 ILE 84 HG21 ILE 84 1.413 4.946 0.446 682 HG22 ILE 84 HG22 ILE 84 2.623 5.483 1.606 683 HG23 ILE 84 HG23 ILE 84 3.114 5.007 -0.023 684 HD11 ILE 84 HD11 ILE 84 -0.240 6.975 -1.151 685 HD12 ILE 84 HD12 ILE 84 -1.264 7.261 0.256 686 HD13 ILE 84 HD13 ILE 84 -0.344 5.762 0.124 687 H GLN 85 HN GLN 85 4.073 7.045 2.793 688 HA GLN 85 HA GLN 85 6.410 5.454 1.811 689 HB2 GLN 85 HB2 GLN 85 6.282 7.275 4.239 690 HB3 GLN 85 HB1 GLN 85 7.622 6.188 3.865 691 HG2 GLN 85 HG2 GLN 85 8.223 7.402 1.927 692 HG3 GLN 85 HG1 GLN 85 6.666 8.227 1.864 693 HE21 GLN 85 HE21 GLN 85 6.581 10.276 2.826 694 HE22 GLN 85 HE22 GLN 85 7.756 10.895 3.884 695 H ALA 86 HN ALA 86 7.054 4.619 4.522 696 HA ALA 86 HA ALA 86 4.953 2.595 4.859 697 HB1 ALA 86 HB1 ALA 86 7.695 3.081 5.938 698 HB2 ALA 86 HB2 ALA 86 6.982 1.589 5.331 699 HB3 ALA 86 HB3 ALA 86 6.602 2.144 6.958 700 H ASP 87 HN ASP 87 5.418 5.744 5.857 701 HA ASP 87 HA ASP 87 4.201 5.440 8.526 702 HB2 ASP 87 HB2 ASP 87 5.943 7.214 7.927 703 HB3 ASP 87 HB1 ASP 87 4.674 8.000 6.988 704 H ALA 88 HN ALA 88 3.116 5.078 5.594 705 HA ALA 88 HA ALA 88 0.609 6.660 5.838 706 HB1 ALA 88 HB1 ALA 88 1.548 4.857 3.592 707 HB2 ALA 88 HB2 ALA 88 1.845 6.594 3.664 708 HB3 ALA 88 HB3 ALA 88 0.193 5.984 3.542 709 H LYS 89 HN LYS 89 -0.976 5.667 6.984 710 HA LYS 89 HA LYS 89 -1.124 2.696 7.044 711 HB2 LYS 89 HB2 LYS 89 -2.286 4.925 8.713 712 HB3 LYS 89 HB1 LYS 89 -3.086 3.373 8.693 713 HG2 LYS 89 HG2 LYS 89 -1.491 3.468 10.556 714 HG3 LYS 89 HG1 LYS 89 -1.004 2.253 9.379 715 HD2 LYS 89 HD2 LYS 89 0.924 3.616 10.111 716 HD3 LYS 89 HD1 LYS 89 0.606 3.822 8.391 717 HE2 LYS 89 HE2 LYS 89 1.032 5.944 9.861 718 HE3 LYS 89 HE1 LYS 89 -0.274 5.974 8.680 719 HZ1 LYS 89 HZ1 LYS 89 -1.866 5.804 10.288 720 HZ2 LYS 89 HZ2 LYS 89 -0.690 6.697 11.129 721 HZ3 LYS 89 HZ3 LYS 89 -0.843 5.026 11.395 722 H LEU 90 HN LEU 90 -2.071 2.128 5.062 723 HA LEU 90 HA LEU 90 -4.298 3.693 3.999 724 HB2 LEU 90 HB2 LEU 90 -3.167 1.017 3.156 725 HB3 LEU 90 HB1 LEU 90 -4.366 1.944 2.259 726 HG LEU 90 HG LEU 90 -1.601 2.949 2.980 727 HD11 LEU 90 HD11 LEU 90 -2.699 1.963 0.331 728 HD12 LEU 90 HD12 LEU 90 -1.539 1.100 1.339 729 HD13 LEU 90 HD13 LEU 90 -1.090 2.633 0.592 730 HD21 LEU 90 HD21 LEU 90 -2.367 4.586 1.017 731 HD22 LEU 90 HD22 LEU 90 -2.835 4.901 2.685 732 HD23 LEU 90 HD23 LEU 90 -3.979 4.141 1.578 733 H GLN 91 HN GLN 91 -6.238 2.434 3.331 734 HA GLN 91 HA GLN 91 -7.141 0.522 5.332 735 HB2 GLN 91 HB2 GLN 91 -9.066 2.604 4.520 736 HB3 GLN 91 HB1 GLN 91 -9.025 1.647 5.964 737 HG2 GLN 91 HG2 GLN 91 -7.365 2.950 6.982 738 HG3 GLN 91 HG1 GLN 91 -6.859 3.686 5.473 739 HE21 GLN 91 HE21 GLN 91 -9.570 3.564 7.764 740 HE22 GLN 91 HE22 GLN 91 -10.181 5.091 7.362 741 H PHE 92 HN PHE 92 -9.297 -0.398 4.492 742 HA PHE 92 HA PHE 92 -9.287 -0.613 1.541 743 HB2 PHE 92 HB2 PHE 92 -8.549 -2.669 3.147 744 HB3 PHE 92 HB1 PHE 92 -10.261 -2.906 3.153 745 HD1 PHE 92 HD1 PHE 92 -10.267 -1.720 0.018 746 HD2 PHE 92 HD2 PHE 92 -8.451 -4.934 2.214 747 HE1 PHE 92 HE1 PHE 92 -10.033 -3.010 -2.064 748 HE2 PHE 92 HE2 PHE 92 -8.233 -6.230 0.116 749 HZ PHE 92 HZ PHE 92 -9.027 -5.270 -2.023 750 H THR 93 HN THR 93 -11.414 -0.677 0.729 751 HA THR 93 HA THR 93 -13.689 -0.850 2.496 752 HB THR 93 HB THR 93 -12.564 1.509 2.795 753 HG1 THR 93 HG1 THR 93 -14.349 1.971 3.725 754 HG21 THR 93 HG21 THR 93 -14.358 1.997 0.409 755 HG22 THR 93 HG22 THR 93 -12.597 2.065 0.389 756 HG23 THR 93 HG23 THR 93 -13.517 3.217 1.352 757 HA PRO 94 HA PRO 94 -15.604 -1.488 -1.441 758 HB2 PRO 94 HB2 PRO 94 -18.226 -0.935 -1.022 759 HB3 PRO 94 HB1 PRO 94 -17.393 -2.264 -0.194 760 HG2 PRO 94 HG2 PRO 94 -18.299 0.330 0.879 761 HG3 PRO 94 HG1 PRO 94 -17.971 -1.190 1.728 762 HD2 PRO 94 HD2 PRO 94 -16.236 1.116 1.479 763 HD3 PRO 94 HD1 PRO 94 -15.917 -0.394 2.359 Start of MODEL 16 1 H MET 1 HT1 MET 1 26.803 -9.670 13.689 2 HA MET 1 HA MET 1 27.384 -7.619 12.456 3 HB2 MET 1 HB2 MET 1 28.834 -9.645 10.728 4 HB3 MET 1 HB1 MET 1 28.537 -7.965 10.277 5 HG2 MET 1 HG2 MET 1 29.911 -7.140 12.030 6 HG3 MET 1 HG1 MET 1 29.946 -8.702 12.842 7 HE1 MET 1 HE1 MET 1 32.011 -6.366 11.337 8 HE2 MET 1 HE2 MET 1 33.436 -7.363 11.055 9 HE3 MET 1 HE3 MET 1 32.624 -7.423 12.617 10 H ALA 2 HN ALA 2 26.874 -8.037 9.616 11 HA ALA 2 HA ALA 2 24.605 -9.869 9.393 12 HB1 ALA 2 HB1 ALA 2 24.204 -6.876 9.527 13 HB2 ALA 2 HB2 ALA 2 23.373 -8.118 10.467 14 HB3 ALA 2 HB3 ALA 2 23.047 -7.948 8.735 15 H LEU 3 HN LEU 3 24.854 -10.606 7.325 16 HA LEU 3 HA LEU 3 26.205 -8.857 5.371 17 HB2 LEU 3 HB2 LEU 3 25.064 -11.447 4.475 18 HB3 LEU 3 HB1 LEU 3 26.639 -10.744 4.154 19 HG LEU 3 HG LEU 3 25.818 -12.006 6.789 20 HD11 LEU 3 HD11 LEU 3 26.095 -13.601 4.887 21 HD12 LEU 3 HD12 LEU 3 27.289 -13.822 6.166 22 HD13 LEU 3 HD13 LEU 3 27.738 -12.998 4.673 23 HD21 LEU 3 HD21 LEU 3 28.357 -10.716 5.761 24 HD22 LEU 3 HD22 LEU 3 28.363 -11.833 7.127 25 HD23 LEU 3 HD23 LEU 3 27.460 -10.323 7.227 26 H ASP 4 HN ASP 4 25.210 -8.229 3.509 27 HA ASP 4 HA ASP 4 22.361 -8.669 3.016 28 HB2 ASP 4 HB2 ASP 4 22.212 -6.911 4.690 29 HB3 ASP 4 HB1 ASP 4 23.406 -5.944 3.823 30 H GLY 5 HN GLY 5 25.317 -6.937 2.212 31 HA2 GLY 5 HA2 GLY 5 25.947 -7.484 -0.263 32 HA3 GLY 5 HA1 GLY 5 24.414 -6.689 -0.631 33 H ILE 6 HN ILE 6 24.346 -4.520 0.940 34 HA ILE 6 HA ILE 6 25.059 -2.315 0.992 35 HB ILE 6 HB ILE 6 27.515 -3.889 1.638 36 HG12 ILE 6 HG12 ILE 6 25.317 -2.710 3.352 37 HG13 ILE 6 HG11 ILE 6 25.509 -4.411 2.969 38 HG21 ILE 6 HG21 ILE 6 26.848 -0.958 1.872 39 HG22 ILE 6 HG22 ILE 6 28.340 -1.710 1.308 40 HG23 ILE 6 HG23 ILE 6 27.959 -1.695 3.024 41 HD11 ILE 6 HD11 ILE 6 27.396 -2.699 4.595 42 HD12 ILE 6 HD12 ILE 6 27.788 -4.324 4.032 43 HD13 ILE 6 HD13 ILE 6 26.448 -4.078 5.151 44 H ARG 7 HN ARG 7 26.047 -4.233 -1.504 45 HA ARG 7 HA ARG 7 27.915 -2.260 -2.694 46 HB2 ARG 7 HB2 ARG 7 28.590 -4.587 -2.882 47 HB3 ARG 7 HB1 ARG 7 27.019 -5.027 -3.512 48 HG2 ARG 7 HG2 ARG 7 28.797 -4.847 -5.273 49 HG3 ARG 7 HG1 ARG 7 27.393 -3.818 -5.556 50 HD2 ARG 7 HD2 ARG 7 29.710 -2.745 -5.867 51 HD3 ARG 7 HD1 ARG 7 28.551 -1.876 -4.870 52 HE ARG 7 HE ARG 7 29.917 -3.387 -3.024 53 HH11 ARG 7 HH21 ARG 7 30.800 -1.287 -5.609 54 HH12 ARG 7 HH22 ARG 7 32.277 -0.772 -4.865 55 HH21 ARG 7 HH11 ARG 7 31.843 -2.730 -2.036 56 HH22 ARG 7 HH12 ARG 7 32.867 -1.589 -2.841 57 H MET 8 HN MET 8 24.862 -3.869 -3.218 58 HA MET 8 HA MET 8 24.195 -1.960 -5.425 59 HB2 MET 8 HB2 MET 8 22.173 -3.774 -5.478 60 HB3 MET 8 HB1 MET 8 23.696 -4.045 -6.312 61 HG2 MET 8 HG2 MET 8 24.493 -5.495 -4.648 62 HG3 MET 8 HG1 MET 8 23.367 -4.875 -3.439 63 HE1 MET 8 HE1 MET 8 22.655 -7.757 -6.885 64 HE2 MET 8 HE2 MET 8 23.984 -7.931 -5.742 65 HE3 MET 8 HE3 MET 8 23.869 -6.479 -6.733 66 HA PRO 9 HA PRO 9 21.177 0.210 -2.983 67 HB2 PRO 9 HB2 PRO 9 19.015 -0.938 -4.738 68 HB3 PRO 9 HB1 PRO 9 19.281 0.747 -4.239 69 HG2 PRO 9 HG2 PRO 9 19.941 -0.019 -6.673 70 HG3 PRO 9 HG1 PRO 9 21.011 1.055 -5.751 71 HD2 PRO 9 HD2 PRO 9 21.328 -1.866 -6.320 72 HD3 PRO 9 HD1 PRO 9 22.567 -0.598 -6.218 73 H ASP 10 HN ASP 10 21.334 -3.106 -3.290 74 HA ASP 10 HA ASP 10 19.035 -3.913 -1.724 75 HB2 ASP 10 HB2 ASP 10 20.461 -5.398 -3.253 76 HB3 ASP 10 HB1 ASP 10 21.644 -5.421 -1.945 77 H GLY 11 HN GLY 11 21.387 -1.924 -0.901 78 HA2 GLY 11 HA2 GLY 11 21.011 -1.855 1.835 79 HA3 GLY 11 HA1 GLY 11 22.323 -3.015 1.621 80 H CYS 12 HN CYS 12 23.094 -1.495 -0.891 81 HA CYS 12 HA CYS 12 25.174 0.094 0.206 82 HB2 CYS 12 HB2 CYS 12 25.410 -0.633 -2.053 83 HB3 CYS 12 HB1 CYS 12 23.859 0.063 -2.521 84 HG CYS 12 HG CYS 12 24.900 2.437 -2.352 85 H TYR 13 HN TYR 13 23.142 1.852 -2.007 86 HA TYR 13 HA TYR 13 22.881 4.026 -0.006 87 HB2 TYR 13 HB2 TYR 13 23.657 4.534 -2.319 88 HB3 TYR 13 HB1 TYR 13 22.108 3.962 -2.939 89 HD1 TYR 13 HD2 TYR 13 23.543 6.379 -0.457 90 HD2 TYR 13 HD1 TYR 13 20.325 5.476 -3.157 91 HE1 TYR 13 HE2 TYR 13 22.551 8.610 -0.024 92 HE2 TYR 13 HE1 TYR 13 19.335 7.707 -2.723 93 HH TYR 13 HH TYR 13 20.770 9.921 -0.340 94 H ALA 14 HN ALA 14 21.282 1.629 0.396 95 HA ALA 14 HA ALA 14 18.626 1.889 -0.590 96 HB1 ALA 14 HB1 ALA 14 17.991 0.643 1.531 97 HB2 ALA 14 HB2 ALA 14 19.692 0.725 1.989 98 HB3 ALA 14 HB3 ALA 14 19.213 -0.144 0.531 99 H ASP 15 HN ASP 15 17.725 3.923 -0.475 100 HA ASP 15 HA ASP 15 16.917 4.855 2.176 101 HB2 ASP 15 HB2 ASP 15 19.312 5.821 1.273 102 HB3 ASP 15 HB1 ASP 15 18.219 7.024 0.599 103 H GLY 16 HN GLY 16 15.058 6.075 2.055 104 HA2 GLY 16 HA2 GLY 16 13.463 7.520 0.939 105 HA3 GLY 16 HA1 GLY 16 14.104 7.002 -0.617 106 H THR 17 HN THR 17 14.012 4.158 0.758 107 HA THR 17 HA THR 17 11.363 3.518 -0.347 108 HB THR 17 HB THR 17 12.833 1.789 -0.845 109 HG1 THR 17 HG1 THR 17 12.035 0.116 0.208 110 HG21 THR 17 HG21 THR 17 13.984 2.269 1.896 111 HG22 THR 17 HG22 THR 17 14.776 2.507 0.338 112 HG23 THR 17 HG23 THR 17 14.431 0.876 0.913 113 H TRP 18 HN TRP 18 10.170 1.744 1.100 114 HA TRP 18 HA TRP 18 10.245 1.929 3.934 115 HB2 TRP 18 HB2 TRP 18 8.063 3.444 4.062 116 HB3 TRP 18 HB1 TRP 18 9.660 4.174 4.026 117 HD1 TRP 18 HD1 TRP 18 10.149 5.810 2.156 118 HE1 TRP 18 HE1 TRP 18 8.925 6.578 0.012 119 HE3 TRP 18 HE3 TRP 18 6.380 2.357 1.976 120 HZ2 TRP 18 HZ2 TRP 18 6.666 5.861 -1.528 121 HZ3 TRP 18 HZ3 TRP 18 4.727 2.426 0.118 122 HH2 TRP 18 HH2 TRP 18 4.863 4.166 -1.613 123 H GLU 19 HN GLU 19 7.561 1.790 4.644 124 HA GLU 19 HA GLU 19 6.424 -0.334 2.905 125 HB2 GLU 19 HB2 GLU 19 5.637 -1.509 4.894 126 HB3 GLU 19 HB1 GLU 19 7.386 -1.360 4.954 127 HG2 GLU 19 HG2 GLU 19 5.426 0.450 6.388 128 HG3 GLU 19 HG1 GLU 19 6.354 -0.842 7.142 129 H LEU 20 HN LEU 20 4.115 -0.648 3.851 130 HA LEU 20 HA LEU 20 2.792 1.965 4.356 131 HB2 LEU 20 HB2 LEU 20 2.829 0.509 1.863 132 HB3 LEU 20 HB1 LEU 20 1.182 0.476 2.495 133 HG LEU 20 HG LEU 20 1.616 2.415 0.998 134 HD11 LEU 20 HD11 LEU 20 0.408 3.965 2.284 135 HD12 LEU 20 HD12 LEU 20 1.183 3.475 3.786 136 HD13 LEU 20 HD13 LEU 20 -0.007 2.420 3.024 137 HD21 LEU 20 HD21 LEU 20 3.189 3.860 3.068 138 HD22 LEU 20 HD22 LEU 20 3.300 3.917 1.311 139 HD23 LEU 20 HD23 LEU 20 4.040 2.596 2.195 140 H SER 21 HN SER 21 0.678 1.741 5.238 141 HA SER 21 HA SER 21 0.049 -0.941 6.362 142 HB2 SER 21 HB2 SER 21 -1.069 0.565 8.207 143 HB3 SER 21 HB1 SER 21 0.660 0.265 8.244 144 HG SER 21 HG SER 21 0.830 2.350 8.157 145 H VAL 22 HN VAL 22 -1.835 -1.707 5.879 146 HA VAL 22 HA VAL 22 -3.908 0.109 4.734 147 HB VAL 22 HB VAL 22 -3.024 -2.647 3.958 148 HG11 VAL 22 HG11 VAL 22 -5.896 -1.698 3.809 149 HG12 VAL 22 HG12 VAL 22 -5.316 -3.156 4.617 150 HG13 VAL 22 HG13 VAL 22 -5.258 -3.035 2.859 151 HG21 VAL 22 HG21 VAL 22 -2.491 -0.697 2.576 152 HG22 VAL 22 HG22 VAL 22 -4.202 -0.269 2.487 153 HG23 VAL 22 HG23 VAL 22 -3.624 -1.745 1.722 154 H HIS 23 HN HIS 23 -6.018 -0.436 5.173 155 HA HIS 23 HA HIS 23 -6.610 -1.838 7.728 156 HB2 HIS 23 HB2 HIS 23 -6.423 0.972 7.401 157 HB3 HIS 23 HB1 HIS 23 -8.144 0.658 7.458 158 HD1 HIS 23 HD1 HIS 23 -8.523 -1.413 9.525 159 HD2 HIS 23 HD2 HIS 23 -5.592 1.518 9.973 160 HE1 HIS 23 HE1 HIS 23 -8.010 -1.285 12.001 161 H VAL 24 HN VAL 24 -8.333 -3.161 7.408 162 HA VAL 24 HA VAL 24 -10.098 -2.689 5.105 163 HB VAL 24 HB VAL 24 -10.437 -4.980 7.006 164 HG11 VAL 24 HG11 VAL 24 -11.974 -4.593 5.056 165 HG12 VAL 24 HG12 VAL 24 -11.145 -6.148 4.996 166 HG13 VAL 24 HG13 VAL 24 -10.603 -4.824 3.986 167 HG21 VAL 24 HG21 VAL 24 -8.104 -5.127 6.707 168 HG22 VAL 24 HG22 VAL 24 -8.181 -4.543 5.047 169 HG23 VAL 24 HG23 VAL 24 -8.734 -6.173 5.440 170 H THR 25 HN THR 25 -11.693 -1.261 5.427 171 HA THR 25 HA THR 25 -12.741 -0.794 8.121 172 HB THR 25 HB THR 25 -12.394 1.065 6.538 173 HG1 THR 25 HG1 THR 25 -14.933 0.451 7.550 174 HG21 THR 25 HG21 THR 25 -13.543 1.270 4.514 175 HG22 THR 25 HG22 THR 25 -14.806 0.142 5.002 176 HG23 THR 25 HG23 THR 25 -13.207 -0.461 4.562 177 H ASP 26 HN ASP 26 -14.273 -1.826 5.039 178 HA ASP 26 HA ASP 26 -16.793 -2.414 6.295 179 HB2 ASP 26 HB2 ASP 26 -16.257 -2.017 3.786 180 HB3 ASP 26 HB1 ASP 26 -15.834 -3.728 3.751 181 H VAL 27 HN VAL 27 -14.145 -3.782 7.249 182 HA VAL 27 HA VAL 27 -15.418 -6.432 7.682 183 HB VAL 27 HB VAL 27 -12.559 -6.184 6.754 184 HG11 VAL 27 HG11 VAL 27 -12.622 -8.572 6.616 185 HG12 VAL 27 HG12 VAL 27 -14.371 -8.602 6.833 186 HG13 VAL 27 HG13 VAL 27 -13.324 -8.159 8.181 187 HG21 VAL 27 HG21 VAL 27 -13.391 -7.157 4.605 188 HG22 VAL 27 HG22 VAL 27 -14.021 -5.540 4.894 189 HG23 VAL 27 HG23 VAL 27 -15.041 -6.945 5.185 190 H ASN 28 HN ASN 28 -13.123 -3.966 8.592 191 HA ASN 28 HA ASN 28 -12.415 -3.334 10.704 192 HB2 ASN 28 HB2 ASN 28 -14.591 -4.682 11.261 193 HB3 ASN 28 HB1 ASN 28 -13.454 -5.846 11.921 194 HD21 ASN 28 HD21 ASN 28 -14.806 -2.615 12.362 195 HD22 ASN 28 HD22 ASN 28 -14.089 -2.319 13.872 196 H ARG 29 HN ARG 29 -11.055 -5.447 8.898 197 HA ARG 29 HA ARG 29 -9.101 -6.468 10.953 198 HB2 ARG 29 HB2 ARG 29 -8.714 -7.442 8.174 199 HB3 ARG 29 HB1 ARG 29 -8.759 -8.345 9.690 200 HG2 ARG 29 HG2 ARG 29 -11.250 -8.120 9.700 201 HG3 ARG 29 HG1 ARG 29 -11.139 -7.352 8.119 202 HD2 ARG 29 HD2 ARG 29 -10.447 -9.323 7.057 203 HD3 ARG 29 HD1 ARG 29 -9.850 -10.041 8.552 204 HE ARG 29 HE ARG 29 -12.639 -9.713 8.859 205 HH11 ARG 29 HH21 ARG 29 -10.362 -11.379 6.876 206 HH12 ARG 29 HH22 ARG 29 -11.408 -12.727 6.578 207 HH21 ARG 29 HH11 ARG 29 -14.017 -11.465 8.480 208 HH22 ARG 29 HH12 ARG 29 -13.476 -12.776 7.485 209 H ASP 30 HN ASP 30 -6.782 -6.583 9.613 210 HA ASP 30 HA ASP 30 -6.433 -4.170 7.972 211 HB2 ASP 30 HB2 ASP 30 -4.411 -3.714 9.832 212 HB3 ASP 30 HB1 ASP 30 -5.930 -2.824 9.741 213 H VAL 31 HN VAL 31 -4.627 -4.220 6.764 214 HA VAL 31 HA VAL 31 -2.690 -6.445 7.118 215 HB VAL 31 HB VAL 31 -4.039 -5.744 4.486 216 HG11 VAL 31 HG11 VAL 31 -2.895 -7.823 3.739 217 HG12 VAL 31 HG12 VAL 31 -2.137 -7.947 5.323 218 HG13 VAL 31 HG13 VAL 31 -1.759 -6.590 4.267 219 HG21 VAL 31 HG21 VAL 31 -5.180 -7.924 4.705 220 HG22 VAL 31 HG22 VAL 31 -5.622 -6.852 6.033 221 HG23 VAL 31 HG23 VAL 31 -4.454 -8.147 6.296 222 H THR 32 HN THR 32 -0.664 -5.843 5.830 223 HA THR 32 HA THR 32 -0.565 -2.910 5.246 224 HB THR 32 HB THR 32 1.600 -2.807 6.328 225 HG1 THR 32 HG1 THR 32 1.741 -5.027 7.664 226 HG21 THR 32 HG21 THR 32 -0.668 -2.713 7.635 227 HG22 THR 32 HG22 THR 32 0.847 -2.788 8.533 228 HG23 THR 32 HG23 THR 32 -0.120 -4.246 8.312 229 H LEU 33 HN LEU 33 0.773 -2.278 3.596 230 HA LEU 33 HA LEU 33 1.591 -4.461 1.752 231 HB2 LEU 33 HB2 LEU 33 0.930 -1.557 1.393 232 HB3 LEU 33 HB1 LEU 33 1.979 -2.334 0.222 233 HG LEU 33 HG LEU 33 -0.396 -2.347 -0.457 234 HD11 LEU 33 HD11 LEU 33 0.265 -5.221 0.068 235 HD12 LEU 33 HD12 LEU 33 1.371 -4.264 -0.916 236 HD13 LEU 33 HD13 LEU 33 -0.312 -4.444 -1.398 237 HD21 LEU 33 HD21 LEU 33 -1.106 -4.465 1.504 238 HD22 LEU 33 HD22 LEU 33 -2.095 -3.195 0.793 239 HD23 LEU 33 HD23 LEU 33 -1.028 -2.819 2.137 240 H ARG 34 HN ARG 34 3.635 -4.688 1.134 241 HA ARG 34 HA ARG 34 5.719 -3.014 2.489 242 HB2 ARG 34 HB2 ARG 34 5.473 -5.716 2.498 243 HB3 ARG 34 HB1 ARG 34 6.462 -5.514 1.057 244 HG2 ARG 34 HG2 ARG 34 7.175 -4.148 3.663 245 HG3 ARG 34 HG1 ARG 34 7.668 -5.768 3.289 246 HD2 ARG 34 HD2 ARG 34 8.843 -5.047 1.292 247 HD3 ARG 34 HD1 ARG 34 8.237 -3.405 1.513 248 HE ARG 34 HE ARG 34 9.951 -3.064 3.091 249 HH11 ARG 34 HH21 ARG 34 9.314 -6.415 2.586 250 HH12 ARG 34 HH22 ARG 34 10.620 -6.951 3.589 251 HH21 ARG 34 HH11 ARG 34 11.660 -3.745 4.406 252 HH22 ARG 34 HH12 ARG 34 11.947 -5.440 4.619 253 H VAL 35 HN VAL 35 5.763 -1.283 0.960 254 HA VAL 35 HA VAL 35 6.922 -1.969 -1.681 255 HB VAL 35 HB VAL 35 5.180 -0.632 -2.841 256 HG11 VAL 35 HG11 VAL 35 5.057 -3.161 -2.549 257 HG12 VAL 35 HG12 VAL 35 3.538 -2.355 -2.921 258 HG13 VAL 35 HG13 VAL 35 3.877 -2.862 -1.269 259 HG21 VAL 35 HG21 VAL 35 2.974 -0.558 -1.211 260 HG22 VAL 35 HG22 VAL 35 4.074 0.800 -1.413 261 HG23 VAL 35 HG23 VAL 35 4.245 -0.267 -0.025 262 H THR 36 HN THR 36 6.748 0.312 -2.998 263 HA THR 36 HA THR 36 7.754 2.488 -1.213 264 HB THR 36 HB THR 36 9.431 3.015 -3.015 265 HG1 THR 36 HG1 THR 36 8.638 0.432 -3.874 266 HG21 THR 36 HG21 THR 36 9.771 0.261 -1.808 267 HG22 THR 36 HG22 THR 36 9.958 1.757 -0.896 268 HG23 THR 36 HG23 THR 36 11.041 1.403 -2.241 269 H GLY 37 HN GLY 37 7.984 4.524 -2.749 270 HA2 GLY 37 HA2 GLY 37 5.350 5.184 -3.637 271 HA3 GLY 37 HA1 GLY 37 6.796 6.136 -3.942 272 H GLU 38 HN GLU 38 7.073 2.935 -5.012 273 HA GLU 38 HA GLU 38 6.763 3.857 -7.829 274 HB2 GLU 38 HB2 GLU 38 8.363 2.178 -8.383 275 HB3 GLU 38 HB1 GLU 38 8.933 2.898 -6.879 276 HG2 GLU 38 HG2 GLU 38 9.117 0.643 -6.336 277 HG3 GLU 38 HG1 GLU 38 7.487 0.991 -5.751 278 H VAL 39 HN VAL 39 5.322 1.709 -5.520 279 HA VAL 39 HA VAL 39 4.287 -0.172 -7.473 280 HB VAL 39 HB VAL 39 4.503 -0.854 -5.141 281 HG11 VAL 39 HG11 VAL 39 3.059 0.114 -3.432 282 HG12 VAL 39 HG12 VAL 39 2.361 1.207 -4.607 283 HG13 VAL 39 HG13 VAL 39 4.048 1.360 -4.160 284 HG21 VAL 39 HG21 VAL 39 1.563 -0.642 -5.818 285 HG22 VAL 39 HG22 VAL 39 2.369 -1.912 -4.898 286 HG23 VAL 39 HG23 VAL 39 2.657 -1.763 -6.630 287 H HIS 40 HN HIS 40 2.468 -0.064 -8.633 288 HA HIS 40 HA HIS 40 1.069 2.448 -8.876 289 HB2 HIS 40 HB2 HIS 40 0.688 -0.321 -10.013 290 HB3 HIS 40 HB1 HIS 40 -0.485 0.951 -10.318 291 HD1 HIS 40 HD1 HIS 40 0.405 0.607 -12.888 292 HD2 HIS 40 HD2 HIS 40 3.070 2.383 -10.220 293 HE1 HIS 40 HE1 HIS 40 2.169 1.753 -14.296 294 H ILE 41 HN ILE 41 -1.095 2.921 -8.217 295 HA ILE 41 HA ILE 41 -1.990 1.810 -5.762 296 HB ILE 41 HB ILE 41 -3.774 2.960 -7.919 297 HG12 ILE 41 HG12 ILE 41 -2.173 4.407 -5.790 298 HG13 ILE 41 HG11 ILE 41 -1.800 4.408 -7.507 299 HG21 ILE 41 HG21 ILE 41 -5.277 3.447 -6.168 300 HG22 ILE 41 HG22 ILE 41 -4.044 3.247 -4.923 301 HG23 ILE 41 HG23 ILE 41 -4.692 1.837 -5.760 302 HD11 ILE 41 HD11 ILE 41 -4.582 5.156 -7.060 303 HD12 ILE 41 HD12 ILE 41 -3.309 6.016 -7.915 304 HD13 ILE 41 HD13 ILE 41 -3.480 6.205 -6.173 305 H GLY 42 HN GLY 42 -2.970 1.256 -9.110 306 HA2 GLY 42 HA2 GLY 42 -4.713 -0.945 -8.635 307 HA3 GLY 42 HA1 GLY 42 -3.862 -0.630 -10.151 308 H GLY 43 HN GLY 43 -1.453 -0.635 -7.960 309 HA2 GLY 43 HA2 GLY 43 -0.897 -3.557 -8.362 310 HA3 GLY 43 HA1 GLY 43 0.342 -2.309 -8.177 311 H VAL 44 HN VAL 44 -1.190 -0.956 -6.050 312 HA VAL 44 HA VAL 44 -0.072 -2.336 -3.792 313 HB VAL 44 HB VAL 44 -1.727 0.050 -4.333 314 HG11 VAL 44 HG11 VAL 44 -2.382 0.269 -1.875 315 HG12 VAL 44 HG12 VAL 44 -2.096 -1.465 -1.752 316 HG13 VAL 44 HG13 VAL 44 -3.336 -0.854 -2.843 317 HG21 VAL 44 HG21 VAL 44 0.173 -0.338 -2.024 318 HG22 VAL 44 HG22 VAL 44 -0.176 1.132 -2.933 319 HG23 VAL 44 HG23 VAL 44 0.769 -0.156 -3.670 320 H MET 45 HN MET 45 -3.262 -2.240 -5.294 321 HA MET 45 HA MET 45 -4.579 -3.900 -3.350 322 HB2 MET 45 HB2 MET 45 -5.668 -4.330 -6.011 323 HB3 MET 45 HB1 MET 45 -6.371 -3.441 -4.668 324 HG2 MET 45 HG2 MET 45 -5.080 -1.436 -5.314 325 HG3 MET 45 HG1 MET 45 -4.374 -2.332 -6.656 326 HE1 MET 45 HE1 MET 45 -7.114 -0.062 -5.500 327 HE2 MET 45 HE2 MET 45 -7.785 -1.595 -4.950 328 HE3 MET 45 HE3 MET 45 -8.605 -0.685 -6.215 329 H LEU 46 HN LEU 46 -2.946 -4.663 -6.421 330 HA LEU 46 HA LEU 46 -3.358 -7.492 -6.185 331 HB2 LEU 46 HB2 LEU 46 -1.032 -6.122 -7.559 332 HB3 LEU 46 HB1 LEU 46 -1.699 -7.710 -7.927 333 HG LEU 46 HG LEU 46 -3.249 -5.119 -8.180 334 HD11 LEU 46 HD11 LEU 46 -2.843 -5.197 -10.537 335 HD12 LEU 46 HD12 LEU 46 -2.103 -6.795 -10.425 336 HD13 LEU 46 HD13 LEU 46 -1.269 -5.388 -9.766 337 HD21 LEU 46 HD21 LEU 46 -3.809 -8.011 -8.869 338 HD22 LEU 46 HD22 LEU 46 -4.672 -6.695 -9.664 339 HD23 LEU 46 HD23 LEU 46 -4.795 -6.900 -7.919 340 H LYS 47 HN LYS 47 -0.417 -5.554 -5.541 341 HA LYS 47 HA LYS 47 1.096 -7.575 -4.362 342 HB2 LYS 47 HB2 LYS 47 1.776 -5.158 -4.754 343 HB3 LYS 47 HB1 LYS 47 0.920 -4.750 -3.282 344 HG2 LYS 47 HG2 LYS 47 3.063 -5.101 -2.438 345 HG3 LYS 47 HG1 LYS 47 2.349 -6.698 -2.237 346 HD2 LYS 47 HD2 LYS 47 4.311 -7.311 -3.326 347 HD3 LYS 47 HD1 LYS 47 3.288 -7.035 -4.735 348 HE2 LYS 47 HE2 LYS 47 5.143 -5.757 -5.310 349 HE3 LYS 47 HE1 LYS 47 4.175 -4.539 -4.477 350 HZ1 LYS 47 HZ1 LYS 47 5.391 -5.060 -2.435 351 HZ2 LYS 47 HZ2 LYS 47 6.432 -4.522 -3.666 352 HZ3 LYS 47 HZ3 LYS 47 6.348 -6.175 -3.281 353 H LEU 48 HN LEU 48 -1.707 -5.909 -3.160 354 HA LEU 48 HA LEU 48 -1.458 -7.032 -0.462 355 HB2 LEU 48 HB2 LEU 48 -2.427 -4.884 -0.569 356 HB3 LEU 48 HB1 LEU 48 -3.508 -5.338 -1.858 357 HG LEU 48 HG LEU 48 -4.816 -6.714 -0.397 358 HD11 LEU 48 HD11 LEU 48 -3.281 -7.817 1.020 359 HD12 LEU 48 HD12 LEU 48 -4.106 -6.719 2.116 360 HD13 LEU 48 HD13 LEU 48 -2.505 -6.314 1.503 361 HD21 LEU 48 HD21 LEU 48 -5.006 -4.162 -0.286 362 HD22 LEU 48 HD22 LEU 48 -4.120 -4.269 1.234 363 HD23 LEU 48 HD23 LEU 48 -5.685 -5.061 1.071 364 H VAL 49 HN VAL 49 -3.847 -7.335 -3.138 365 HA VAL 49 HA VAL 49 -5.208 -9.555 -1.975 366 HB VAL 49 HB VAL 49 -4.759 -8.856 -4.898 367 HG11 VAL 49 HG11 VAL 49 -6.860 -10.323 -5.156 368 HG12 VAL 49 HG12 VAL 49 -6.471 -10.957 -3.558 369 HG13 VAL 49 HG13 VAL 49 -5.333 -11.162 -4.890 370 HG21 VAL 49 HG21 VAL 49 -6.948 -8.295 -2.884 371 HG22 VAL 49 HG22 VAL 49 -7.221 -8.162 -4.622 372 HG23 VAL 49 HG23 VAL 49 -6.022 -7.128 -3.828 373 H GLU 50 HN GLU 50 -2.316 -9.316 -3.960 374 HA GLU 50 HA GLU 50 -1.864 -12.119 -4.287 375 HB2 GLU 50 HB2 GLU 50 0.036 -9.762 -4.196 376 HB3 GLU 50 HB1 GLU 50 0.536 -11.403 -4.604 377 HG2 GLU 50 HG2 GLU 50 -0.956 -11.460 -6.495 378 HG3 GLU 50 HG1 GLU 50 -1.681 -9.931 -6.040 379 H LYS 51 HN LYS 51 -0.854 -9.781 -1.752 380 HA LYS 51 HA LYS 51 0.742 -11.571 -0.246 381 HB2 LYS 51 HB2 LYS 51 -0.763 -9.063 0.289 382 HB3 LYS 51 HB1 LYS 51 -0.380 -10.023 1.698 383 HG2 LYS 51 HG2 LYS 51 2.010 -10.047 1.033 384 HG3 LYS 51 HG1 LYS 51 1.613 -9.069 -0.374 385 HD2 LYS 51 HD2 LYS 51 2.502 -7.672 1.457 386 HD3 LYS 51 HD1 LYS 51 0.835 -7.246 1.081 387 HE2 LYS 51 HE2 LYS 51 1.574 -7.583 3.595 388 HE3 LYS 51 HE1 LYS 51 0.008 -8.184 3.055 389 HZ1 LYS 51 HZ1 LYS 51 0.723 -10.337 3.083 390 HZ2 LYS 51 HZ2 LYS 51 1.663 -9.711 4.351 391 HZ3 LYS 51 HZ3 LYS 51 2.347 -9.935 2.812 392 H LEU 52 HN LEU 52 -2.753 -10.780 0.289 393 HA LEU 52 HA LEU 52 -3.173 -13.646 0.942 394 HB2 LEU 52 HB2 LEU 52 -4.783 -12.554 2.863 395 HB3 LEU 52 HB1 LEU 52 -3.181 -13.205 3.180 396 HG LEU 52 HG LEU 52 -3.232 -10.378 2.244 397 HD11 LEU 52 HD11 LEU 52 -4.552 -11.264 4.788 398 HD12 LEU 52 HD12 LEU 52 -5.039 -10.013 3.646 399 HD13 LEU 52 HD13 LEU 52 -3.689 -9.729 4.739 400 HD21 LEU 52 HD21 LEU 52 -1.406 -10.158 3.777 401 HD22 LEU 52 HD22 LEU 52 -1.211 -11.745 3.028 402 HD23 LEU 52 HD23 LEU 52 -1.881 -11.612 4.653 403 H ASP 53 HN ASP 53 -4.643 -14.180 -0.569 404 HA ASP 53 HA ASP 53 -6.707 -12.209 -1.383 405 HB2 ASP 53 HB2 ASP 53 -7.238 -13.881 -3.138 406 HB3 ASP 53 HB1 ASP 53 -5.529 -13.444 -3.152 407 H VAL 54 HN VAL 54 -6.680 -15.682 -0.467 408 HA VAL 54 HA VAL 54 -8.330 -16.971 0.591 409 HB VAL 54 HB VAL 54 -8.895 -14.325 1.969 410 HG11 VAL 54 HG11 VAL 54 -10.694 -15.918 2.334 411 HG12 VAL 54 HG12 VAL 54 -9.715 -15.832 3.798 412 HG13 VAL 54 HG13 VAL 54 -9.536 -17.198 2.696 413 HG21 VAL 54 HG21 VAL 54 -6.588 -14.849 2.308 414 HG22 VAL 54 HG22 VAL 54 -6.933 -16.567 2.504 415 HG23 VAL 54 HG23 VAL 54 -7.418 -15.421 3.755 416 H LYS 55 HN LYS 55 -10.219 -13.990 0.792 417 HA LYS 55 HA LYS 55 -11.957 -14.912 -1.448 418 HB2 LYS 55 HB2 LYS 55 -12.805 -15.673 0.888 419 HB3 LYS 55 HB1 LYS 55 -13.149 -13.967 1.169 420 HG2 LYS 55 HG2 LYS 55 -14.675 -13.882 -0.688 421 HG3 LYS 55 HG1 LYS 55 -14.179 -15.478 -1.249 422 HD2 LYS 55 HD2 LYS 55 -16.300 -15.690 -0.084 423 HD3 LYS 55 HD1 LYS 55 -15.039 -16.452 0.885 424 HE2 LYS 55 HE2 LYS 55 -14.989 -14.674 2.436 425 HE3 LYS 55 HE1 LYS 55 -15.810 -13.568 1.334 426 HZ1 LYS 55 HZ1 LYS 55 -17.767 -15.090 1.492 427 HZ2 LYS 55 HZ2 LYS 55 -17.388 -14.266 2.928 428 HZ3 LYS 55 HZ3 LYS 55 -16.967 -15.902 2.748 429 H LYS 56 HN LYS 56 -10.009 -12.788 -1.247 430 HA LYS 56 HA LYS 56 -11.444 -10.287 -0.832 431 HB2 LYS 56 HB2 LYS 56 -8.770 -11.028 -0.882 432 HB3 LYS 56 HB1 LYS 56 -8.930 -10.179 -2.411 433 HG2 LYS 56 HG2 LYS 56 -8.389 -8.444 -0.924 434 HG3 LYS 56 HG1 LYS 56 -10.147 -8.346 -1.003 435 HD2 LYS 56 HD2 LYS 56 -9.822 -8.313 1.308 436 HD3 LYS 56 HD1 LYS 56 -10.040 -10.041 1.033 437 HE2 LYS 56 HE2 LYS 56 -8.096 -10.026 2.328 438 HE3 LYS 56 HE1 LYS 56 -7.413 -10.013 0.702 439 HZ1 LYS 56 HZ1 LYS 56 -6.432 -8.109 1.195 440 HZ2 LYS 56 HZ2 LYS 56 -7.158 -8.083 2.731 441 HZ3 LYS 56 HZ3 LYS 56 -7.947 -7.375 1.403 442 H ASP 57 HN ASP 57 -11.046 -8.644 -2.859 443 HA ASP 57 HA ASP 57 -12.033 -10.003 -5.344 444 HB2 ASP 57 HB2 ASP 57 -13.072 -7.307 -4.495 445 HB3 ASP 57 HB1 ASP 57 -13.805 -8.490 -5.581 446 H TRP 58 HN TRP 58 -11.511 -8.881 -7.292 447 HA TRP 58 HA TRP 58 -9.169 -7.068 -7.062 448 HB2 TRP 58 HB2 TRP 58 -10.259 -8.721 -9.358 449 HB3 TRP 58 HB1 TRP 58 -8.868 -7.654 -9.477 450 HD1 TRP 58 HD1 TRP 58 -6.598 -8.490 -8.539 451 HE1 TRP 58 HE1 TRP 58 -5.805 -10.718 -7.512 452 HE3 TRP 58 HE3 TRP 58 -11.104 -10.780 -7.818 453 HZ2 TRP 58 HZ2 TRP 58 -6.935 -13.151 -6.516 454 HZ3 TRP 58 HZ3 TRP 58 -11.218 -13.050 -6.830 455 HH2 TRP 58 HH2 TRP 58 -9.140 -14.237 -6.178 456 H SER 59 HN SER 59 -11.272 -7.312 -9.843 457 HA SER 59 HA SER 59 -11.419 -4.562 -10.365 458 HB2 SER 59 HB2 SER 59 -13.053 -5.080 -11.981 459 HB3 SER 59 HB1 SER 59 -12.108 -6.559 -11.835 460 HG SER 59 HG SER 59 -13.732 -7.511 -10.802 461 H ASP 60 HN ASP 60 -12.604 -5.788 -7.560 462 HA ASP 60 HA ASP 60 -14.857 -3.794 -7.469 463 HB2 ASP 60 HB2 ASP 60 -15.514 -6.255 -7.417 464 HB3 ASP 60 HB1 ASP 60 -14.697 -6.336 -5.855 465 H HIS 61 HN HIS 61 -11.960 -4.984 -5.952 466 HA HIS 61 HA HIS 61 -12.458 -3.910 -3.341 467 HB2 HIS 61 HB2 HIS 61 -10.027 -4.142 -3.032 468 HB3 HIS 61 HB1 HIS 61 -10.763 -5.612 -3.655 469 HD1 HIS 61 HD1 HIS 61 -10.540 -3.021 -6.209 470 HD2 HIS 61 HD2 HIS 61 -7.997 -5.975 -4.743 471 HE1 HIS 61 HE1 HIS 61 -8.709 -3.311 -7.935 472 H ALA 62 HN ALA 62 -11.133 -2.202 -2.368 473 HA ALA 62 HA ALA 62 -9.997 -0.101 -4.045 474 HB1 ALA 62 HB1 ALA 62 -11.686 1.623 -3.203 475 HB2 ALA 62 HB2 ALA 62 -12.710 0.259 -2.757 476 HB3 ALA 62 HB3 ALA 62 -12.275 0.520 -4.447 477 H LEU 63 HN LEU 63 -8.907 1.516 -2.706 478 HA LEU 63 HA LEU 63 -8.605 0.670 0.127 479 HB2 LEU 63 HB2 LEU 63 -6.892 2.549 -1.497 480 HB3 LEU 63 HB1 LEU 63 -6.522 1.916 0.096 481 HG LEU 63 HG LEU 63 -5.233 0.628 -1.400 482 HD11 LEU 63 HD11 LEU 63 -7.659 -1.107 -1.027 483 HD12 LEU 63 HD12 LEU 63 -6.612 -0.636 0.312 484 HD13 LEU 63 HD13 LEU 63 -5.962 -1.581 -1.024 485 HD21 LEU 63 HD21 LEU 63 -5.851 -0.185 -3.492 486 HD22 LEU 63 HD22 LEU 63 -6.776 1.316 -3.423 487 HD23 LEU 63 HD23 LEU 63 -7.566 -0.221 -3.085 488 H TRP 64 HN TRP 64 -9.663 1.909 1.658 489 HA TRP 64 HA TRP 64 -10.648 4.563 0.793 490 HB2 TRP 64 HB2 TRP 64 -11.726 2.733 2.535 491 HB3 TRP 64 HB1 TRP 64 -10.898 3.774 3.672 492 HD1 TRP 64 HD1 TRP 64 -12.987 4.529 0.496 493 HE1 TRP 64 HE1 TRP 64 -14.693 6.367 1.094 494 HE3 TRP 64 HE3 TRP 64 -11.868 5.196 5.431 495 HZ2 TRP 64 HZ2 TRP 64 -15.477 7.917 3.367 496 HZ3 TRP 64 HZ3 TRP 64 -13.107 6.858 6.789 497 HH2 TRP 64 HH2 TRP 64 -14.909 8.217 5.765 498 H TRP 65 HN TRP 65 -9.510 6.363 1.099 499 HA TRP 65 HA TRP 65 -6.946 6.269 2.543 500 HB2 TRP 65 HB2 TRP 65 -7.511 7.294 0.246 501 HB3 TRP 65 HB1 TRP 65 -8.196 8.627 1.150 502 HD1 TRP 65 HD1 TRP 65 -6.037 9.368 -0.709 503 HE1 TRP 65 HE1 TRP 65 -3.723 10.185 0.027 504 HE3 TRP 65 HE3 TRP 65 -5.770 7.366 4.040 505 HZ2 TRP 65 HZ2 TRP 65 -2.005 10.041 2.259 506 HZ3 TRP 65 HZ3 TRP 65 -3.770 7.742 5.412 507 HH2 TRP 65 HH2 TRP 65 -1.886 9.080 4.531 508 H GLU 66 HN GLU 66 -7.461 6.379 4.778 509 HA GLU 66 HA GLU 66 -9.521 7.854 5.994 510 HB2 GLU 66 HB2 GLU 66 -8.007 7.833 8.039 511 HB3 GLU 66 HB1 GLU 66 -8.329 6.259 7.312 512 HG2 GLU 66 HG2 GLU 66 -6.203 6.261 6.184 513 HG3 GLU 66 HG1 GLU 66 -5.897 7.934 6.650 514 H LYS 67 HN LYS 67 -6.356 9.008 4.863 515 HA LYS 67 HA LYS 67 -6.269 11.433 6.329 516 HB2 LYS 67 HB2 LYS 67 -4.384 10.600 5.065 517 HB3 LYS 67 HB1 LYS 67 -5.280 10.813 3.554 518 HG2 LYS 67 HG2 LYS 67 -5.270 13.171 3.758 519 HG3 LYS 67 HG1 LYS 67 -4.814 13.108 5.459 520 HD2 LYS 67 HD2 LYS 67 -2.589 12.543 4.990 521 HD3 LYS 67 HD1 LYS 67 -2.982 11.944 3.382 522 HE2 LYS 67 HE2 LYS 67 -3.179 14.111 2.484 523 HE3 LYS 67 HE1 LYS 67 -3.380 14.847 4.074 524 HZ1 LYS 67 HZ1 LYS 67 -1.195 15.042 4.308 525 HZ2 LYS 67 HZ2 LYS 67 -1.043 14.628 2.667 526 HZ3 LYS 67 HZ3 LYS 67 -0.917 13.429 3.864 527 H LYS 68 HN LYS 68 -7.492 10.963 2.974 528 HA LYS 68 HA LYS 68 -9.016 13.541 3.275 529 HB2 LYS 68 HB2 LYS 68 -8.045 12.128 0.772 530 HB3 LYS 68 HB1 LYS 68 -8.985 13.619 0.799 531 HG2 LYS 68 HG2 LYS 68 -7.024 14.447 2.401 532 HG3 LYS 68 HG1 LYS 68 -6.124 13.160 1.605 533 HD2 LYS 68 HD2 LYS 68 -7.616 15.317 0.082 534 HD3 LYS 68 HD1 LYS 68 -5.916 15.441 0.521 535 HE2 LYS 68 HE2 LYS 68 -7.076 13.147 -1.083 536 HE3 LYS 68 HE1 LYS 68 -6.287 14.552 -1.796 537 HZ1 LYS 68 HZ1 LYS 68 -4.255 13.932 -1.012 538 HZ2 LYS 68 HZ2 LYS 68 -4.945 12.397 -1.237 539 HZ3 LYS 68 HZ3 LYS 68 -4.882 13.084 0.315 540 H ARG 69 HN ARG 69 -9.416 10.282 3.389 541 HA ARG 69 HA ARG 69 -11.280 8.889 3.159 542 HB2 ARG 69 HB2 ARG 69 -12.986 11.372 2.873 543 HB3 ARG 69 HB1 ARG 69 -13.405 9.833 3.624 544 HG2 ARG 69 HG2 ARG 69 -11.505 11.936 4.695 545 HG3 ARG 69 HG1 ARG 69 -13.037 11.424 5.396 546 HD2 ARG 69 HD2 ARG 69 -12.052 9.109 5.631 547 HD3 ARG 69 HD1 ARG 69 -10.498 9.798 5.159 548 HE ARG 69 HE ARG 69 -11.195 11.429 7.223 549 HH11 ARG 69 HH21 ARG 69 -11.263 8.002 6.804 550 HH12 ARG 69 HH22 ARG 69 -10.991 7.663 8.480 551 HH21 ARG 69 HH11 ARG 69 -10.841 10.999 9.409 552 HH22 ARG 69 HH12 ARG 69 -10.753 9.357 9.954 553 H THR 70 HN THR 70 -10.093 8.722 0.939 554 HA THR 70 HA THR 70 -12.135 9.096 -1.170 555 HB THR 70 HB THR 70 -10.289 10.999 -0.962 556 HG1 THR 70 HG1 THR 70 -11.359 9.704 -3.200 557 HG21 THR 70 HG21 THR 70 -8.847 9.100 -2.814 558 HG22 THR 70 HG22 THR 70 -8.468 9.160 -1.094 559 HG23 THR 70 HG23 THR 70 -8.255 10.598 -2.093 560 H TRP 71 HN TRP 71 -11.999 7.490 -2.758 561 HA TRP 71 HA TRP 71 -10.433 5.137 -2.020 562 HB2 TRP 71 HB2 TRP 71 -11.952 5.307 -4.596 563 HB3 TRP 71 HB1 TRP 71 -11.770 3.950 -3.496 564 HD1 TRP 71 HD1 TRP 71 -13.510 3.657 -1.608 565 HE1 TRP 71 HE1 TRP 71 -15.666 4.908 -0.950 566 HE3 TRP 71 HE3 TRP 71 -13.074 7.790 -4.576 567 HZ2 TRP 71 HZ2 TRP 71 -17.028 7.339 -1.599 568 HZ3 TRP 71 HZ3 TRP 71 -14.814 9.554 -4.539 569 HH2 TRP 71 HH2 TRP 71 -16.789 9.334 -3.056 570 H LEU 72 HN LEU 72 -8.834 4.195 -3.292 571 HA LEU 72 HA LEU 72 -7.459 6.014 -5.231 572 HB2 LEU 72 HB2 LEU 72 -6.174 3.571 -4.020 573 HB3 LEU 72 HB1 LEU 72 -5.429 5.084 -4.541 574 HG LEU 72 HG LEU 72 -7.233 4.784 -2.131 575 HD11 LEU 72 HD11 LEU 72 -5.296 4.876 -0.794 576 HD12 LEU 72 HD12 LEU 72 -4.271 5.305 -2.162 577 HD13 LEU 72 HD13 LEU 72 -4.948 3.680 -2.038 578 HD21 LEU 72 HD21 LEU 72 -6.195 7.099 -1.670 579 HD22 LEU 72 HD22 LEU 72 -7.421 7.018 -2.934 580 HD23 LEU 72 HD23 LEU 72 -5.713 7.089 -3.365 581 H LEU 73 HN LEU 73 -8.490 5.417 -7.151 582 HA LEU 73 HA LEU 73 -8.754 2.534 -7.779 583 HB2 LEU 73 HB2 LEU 73 -9.743 4.776 -9.515 584 HB3 LEU 73 HB1 LEU 73 -10.407 3.161 -9.295 585 HG LEU 73 HG LEU 73 -10.448 5.406 -7.257 586 HD11 LEU 73 HD11 LEU 73 -12.023 5.622 -9.155 587 HD12 LEU 73 HD12 LEU 73 -12.850 5.373 -7.618 588 HD13 LEU 73 HD13 LEU 73 -12.689 4.038 -8.759 589 HD21 LEU 73 HD21 LEU 73 -10.357 3.533 -5.869 590 HD22 LEU 73 HD22 LEU 73 -11.083 2.468 -7.073 591 HD23 LEU 73 HD23 LEU 73 -12.091 3.598 -6.172 592 H LYS 74 HN LYS 74 -7.801 5.413 -9.689 593 HA LYS 74 HA LYS 74 -6.552 3.851 -11.665 594 HB2 LYS 74 HB2 LYS 74 -5.961 5.832 -12.730 595 HB3 LYS 74 HB1 LYS 74 -7.426 6.215 -11.845 596 HG2 LYS 74 HG2 LYS 74 -4.742 6.751 -10.571 597 HG3 LYS 74 HG1 LYS 74 -5.388 7.857 -11.756 598 HD2 LYS 74 HD2 LYS 74 -6.152 8.727 -9.731 599 HD3 LYS 74 HD1 LYS 74 -7.542 7.874 -10.339 600 HE2 LYS 74 HE2 LYS 74 -7.585 6.586 -8.470 601 HE3 LYS 74 HE1 LYS 74 -5.922 6.092 -8.724 602 HZ1 LYS 74 HZ1 LYS 74 -6.941 7.911 -6.848 603 HZ2 LYS 74 HZ2 LYS 74 -5.864 8.729 -7.876 604 HZ3 LYS 74 HZ3 LYS 74 -5.350 7.351 -7.025 605 H THR 75 HN THR 75 -4.432 3.523 -12.241 606 HA THR 75 HA THR 75 -2.574 3.211 -9.991 607 HB THR 75 HB THR 75 -2.405 1.417 -11.495 608 HG1 THR 75 HG1 THR 75 -0.403 2.920 -11.259 609 HG21 THR 75 HG21 THR 75 -2.799 3.526 -13.618 610 HG22 THR 75 HG22 THR 75 -3.792 2.109 -13.272 611 HG23 THR 75 HG23 THR 75 -2.208 1.913 -14.022 612 H HIS 76 HN HIS 76 -2.951 5.166 -12.885 613 HA HIS 76 HA HIS 76 -0.579 6.503 -13.214 614 HB2 HIS 76 HB2 HIS 76 -2.702 6.890 -14.481 615 HB3 HIS 76 HB1 HIS 76 -3.275 7.860 -13.121 616 HD1 HIS 76 HD1 HIS 76 0.285 7.900 -14.397 617 HD2 HIS 76 HD2 HIS 76 -3.072 10.371 -14.372 618 HE1 HIS 76 HE1 HIS 76 1.048 10.154 -15.264 619 H TRP 77 HN TRP 77 -2.535 6.664 -10.378 620 HA TRP 77 HA TRP 77 -0.993 9.051 -9.404 621 HB2 TRP 77 HB2 TRP 77 -3.756 8.521 -9.418 622 HB3 TRP 77 HB1 TRP 77 -3.284 8.333 -7.745 623 HD1 TRP 77 HD1 TRP 77 -1.778 10.469 -6.734 624 HE1 TRP 77 HE1 TRP 77 -2.136 12.989 -7.143 625 HE3 TRP 77 HE3 TRP 77 -4.594 10.281 -10.991 626 HZ2 TRP 77 HZ2 TRP 77 -3.444 14.699 -9.027 627 HZ3 TRP 77 HZ3 TRP 77 -5.382 12.368 -12.071 628 HH2 TRP 77 HH2 TRP 77 -4.811 14.575 -11.095 629 H THR 78 HN THR 78 0.614 7.172 -9.166 630 HA THR 78 HA THR 78 0.535 5.149 -7.266 631 HB THR 78 HB THR 78 3.010 6.838 -7.247 632 HG1 THR 78 HG1 THR 78 2.363 5.429 -9.583 633 HG21 THR 78 HG21 THR 78 2.634 3.975 -8.091 634 HG22 THR 78 HG22 THR 78 2.797 4.457 -6.405 635 HG23 THR 78 HG23 THR 78 4.111 4.752 -7.536 636 H LEU 79 HN LEU 79 1.715 5.321 -5.023 637 HA LEU 79 HA LEU 79 0.199 7.183 -3.433 638 HB2 LEU 79 HB2 LEU 79 2.741 6.000 -2.349 639 HB3 LEU 79 HB1 LEU 79 1.194 6.243 -1.563 640 HG LEU 79 HG LEU 79 1.328 3.949 -1.846 641 HD11 LEU 79 HD11 LEU 79 -0.582 3.433 -3.025 642 HD12 LEU 79 HD12 LEU 79 -0.162 4.473 -4.379 643 HD13 LEU 79 HD13 LEU 79 -0.764 5.177 -2.878 644 HD21 LEU 79 HD21 LEU 79 2.794 3.032 -3.239 645 HD22 LEU 79 HD22 LEU 79 3.021 4.551 -4.087 646 HD23 LEU 79 HD23 LEU 79 1.763 3.428 -4.606 647 H ASP 80 HN ASP 80 3.591 7.012 -4.400 648 HA ASP 80 HA ASP 80 4.338 9.466 -3.158 649 HB2 ASP 80 HB2 ASP 80 6.183 8.320 -3.912 650 HB3 ASP 80 HB1 ASP 80 5.405 7.776 -5.382 651 H LYS 81 HN LYS 81 2.722 8.710 -6.208 652 HA LYS 81 HA LYS 81 2.905 11.294 -7.407 653 HB2 LYS 81 HB2 LYS 81 1.211 8.947 -7.721 654 HB3 LYS 81 HB1 LYS 81 0.252 10.396 -7.919 655 HG2 LYS 81 HG2 LYS 81 0.999 10.028 -10.086 656 HG3 LYS 81 HG1 LYS 81 2.190 11.163 -9.511 657 HD2 LYS 81 HD2 LYS 81 3.852 9.662 -9.934 658 HD3 LYS 81 HD1 LYS 81 3.122 8.520 -8.824 659 HE2 LYS 81 HE2 LYS 81 3.270 7.475 -11.003 660 HE3 LYS 81 HE1 LYS 81 1.573 7.804 -10.630 661 HZ1 LYS 81 HZ1 LYS 81 1.539 8.832 -12.591 662 HZ2 LYS 81 HZ2 LYS 81 3.233 8.880 -12.713 663 HZ3 LYS 81 HZ3 LYS 81 2.406 10.080 -11.840 664 H TYR 82 HN TYR 82 0.657 9.995 -5.043 665 HA TYR 82 HA TYR 82 -0.820 12.480 -4.729 666 HB2 TYR 82 HB2 TYR 82 -0.670 9.828 -3.349 667 HB3 TYR 82 HB1 TYR 82 -1.257 11.170 -2.376 668 HD1 TYR 82 HD1 TYR 82 -2.988 12.763 -3.723 669 HD2 TYR 82 HD2 TYR 82 -2.284 8.599 -4.519 670 HE1 TYR 82 HE1 TYR 82 -5.211 12.593 -4.808 671 HE2 TYR 82 HE2 TYR 82 -4.508 8.432 -5.603 672 HH TYR 82 HH TYR 82 -6.603 9.543 -5.679 673 H GLY 83 HN GLY 83 2.153 11.178 -3.585 674 HA2 GLY 83 HA2 GLY 83 3.902 12.514 -2.578 675 HA3 GLY 83 HA1 GLY 83 2.679 13.674 -2.042 676 H ILE 84 HN ILE 84 2.535 10.198 -1.811 677 HA ILE 84 HA ILE 84 2.054 10.429 1.116 678 HB ILE 84 HB ILE 84 1.374 8.516 -1.055 679 HG12 ILE 84 HG12 ILE 84 -0.036 9.030 1.563 680 HG13 ILE 84 HG11 ILE 84 -0.184 10.121 0.185 681 HG21 ILE 84 HG21 ILE 84 2.619 6.918 0.173 682 HG22 ILE 84 HG22 ILE 84 0.945 6.689 0.685 683 HG23 ILE 84 HG23 ILE 84 2.069 7.560 1.721 684 HD11 ILE 84 HD11 ILE 84 -0.996 8.248 -1.208 685 HD12 ILE 84 HD12 ILE 84 -2.027 8.480 0.204 686 HD13 ILE 84 HD13 ILE 84 -0.855 7.162 0.174 687 H GLN 85 HN GLN 85 3.208 9.244 2.634 688 HA GLN 85 HA GLN 85 5.847 8.116 1.777 689 HB2 GLN 85 HB2 GLN 85 5.213 9.883 4.162 690 HB3 GLN 85 HB1 GLN 85 6.749 9.046 3.928 691 HG2 GLN 85 HG2 GLN 85 7.269 10.309 1.988 692 HG3 GLN 85 HG1 GLN 85 5.605 10.865 1.814 693 HE21 GLN 85 HE21 GLN 85 6.321 10.967 5.085 694 HE22 GLN 85 HE22 GLN 85 6.805 12.589 5.203 695 H ALA 86 HN ALA 86 6.539 7.334 4.447 696 HA ALA 86 HA ALA 86 4.834 4.958 4.674 697 HB1 ALA 86 HB1 ALA 86 6.871 5.491 6.777 698 HB2 ALA 86 HB2 ALA 86 7.488 5.415 5.131 699 HB3 ALA 86 HB3 ALA 86 6.608 4.042 5.803 700 H ASP 87 HN ASP 87 4.614 8.082 5.792 701 HA ASP 87 HA ASP 87 3.490 7.412 8.442 702 HB2 ASP 87 HB2 ASP 87 4.870 9.511 7.932 703 HB3 ASP 87 HB1 ASP 87 3.456 10.095 7.055 704 H ALA 88 HN ALA 88 2.469 6.951 5.515 705 HA ALA 88 HA ALA 88 -0.282 8.060 5.817 706 HB1 ALA 88 HB1 ALA 88 -0.580 7.451 3.484 707 HB2 ALA 88 HB2 ALA 88 0.935 6.550 3.487 708 HB3 ALA 88 HB3 ALA 88 0.956 8.308 3.640 709 H LYS 89 HN LYS 89 -1.730 6.771 6.809 710 HA LYS 89 HA LYS 89 -1.328 3.820 6.815 711 HB2 LYS 89 HB2 LYS 89 -2.863 5.767 8.530 712 HB3 LYS 89 HB1 LYS 89 -3.414 4.111 8.444 713 HG2 LYS 89 HG2 LYS 89 -1.877 4.404 10.341 714 HG3 LYS 89 HG1 LYS 89 -1.205 3.301 9.146 715 HD2 LYS 89 HD2 LYS 89 0.502 4.900 9.924 716 HD3 LYS 89 HD1 LYS 89 0.163 5.123 8.212 717 HE2 LYS 89 HE2 LYS 89 0.283 7.231 9.730 718 HE3 LYS 89 HE1 LYS 89 -1.046 7.106 8.581 719 HZ1 LYS 89 HZ1 LYS 89 -1.136 6.417 11.467 720 HZ2 LYS 89 HZ2 LYS 89 -2.414 6.173 10.375 721 HZ3 LYS 89 HZ3 LYS 89 -1.881 7.748 10.726 722 H LEU 90 HN LEU 90 -2.223 2.968 4.955 723 HA LEU 90 HA LEU 90 -4.593 4.194 3.752 724 HB2 LEU 90 HB2 LEU 90 -3.044 1.691 3.064 725 HB3 LEU 90 HB1 LEU 90 -4.364 2.352 2.103 726 HG LEU 90 HG LEU 90 -1.843 3.870 2.818 727 HD11 LEU 90 HD11 LEU 90 -2.613 2.652 0.156 728 HD12 LEU 90 HD12 LEU 90 -1.489 1.903 1.289 729 HD13 LEU 90 HD13 LEU 90 -1.098 3.460 0.559 730 HD21 LEU 90 HD21 LEU 90 -2.832 5.201 0.710 731 HD22 LEU 90 HD22 LEU 90 -3.365 5.554 2.350 732 HD23 LEU 90 HD23 LEU 90 -4.353 4.533 1.306 733 H GLN 91 HN GLN 91 -6.284 2.614 3.035 734 HA GLN 91 HA GLN 91 -7.049 0.708 5.122 735 HB2 GLN 91 HB2 GLN 91 -9.129 2.479 3.994 736 HB3 GLN 91 HB1 GLN 91 -9.180 1.514 5.436 737 HG2 GLN 91 HG2 GLN 91 -7.650 2.971 6.582 738 HG3 GLN 91 HG1 GLN 91 -7.347 3.898 5.121 739 HE21 GLN 91 HE21 GLN 91 -8.824 5.535 4.584 740 HE22 GLN 91 HE22 GLN 91 -10.210 5.894 5.490 741 H PHE 92 HN PHE 92 -8.979 -0.546 4.240 742 HA PHE 92 HA PHE 92 -8.755 -0.994 1.312 743 HB2 PHE 92 HB2 PHE 92 -7.640 -2.750 2.830 744 HB3 PHE 92 HB1 PHE 92 -9.248 -3.193 3.269 745 HD1 PHE 92 HD1 PHE 92 -6.834 -3.051 0.540 746 HD2 PHE 92 HD2 PHE 92 -10.740 -4.332 1.734 747 HE1 PHE 92 HE1 PHE 92 -6.973 -4.496 -1.477 748 HE2 PHE 92 HE2 PHE 92 -10.887 -5.777 -0.271 749 HZ PHE 92 HZ PHE 92 -8.997 -5.866 -1.872 750 H THR 93 HN THR 93 -10.699 -1.522 0.388 751 HA THR 93 HA THR 93 -13.094 -1.917 1.982 752 HB THR 93 HB THR 93 -12.957 0.395 2.424 753 HG1 THR 93 HG1 THR 93 -14.562 1.240 0.755 754 HG21 THR 93 HG21 THR 93 -12.265 0.669 -0.494 755 HG22 THR 93 HG22 THR 93 -11.234 1.001 0.896 756 HG23 THR 93 HG23 THR 93 -12.619 2.038 0.555 757 HA PRO 94 HA PRO 94 -14.266 -3.581 -1.964 758 HB2 PRO 94 HB2 PRO 94 -16.971 -3.799 -1.698 759 HB3 PRO 94 HB1 PRO 94 -15.841 -4.832 -0.798 760 HG2 PRO 94 HG2 PRO 94 -17.280 -2.373 0.113 761 HG3 PRO 94 HG1 PRO 94 -17.042 -3.914 0.960 762 HD2 PRO 94 HD2 PRO 94 -15.503 -1.714 1.470 763 HD3 PRO 94 HD1 PRO 94 -14.881 -3.371 1.627 Start of MODEL 17 1 H MET 1 HT1 MET 1 30.341 -8.090 6.617 2 HA MET 1 HA MET 1 32.156 -5.824 7.208 3 HB2 MET 1 HB2 MET 1 32.482 -8.380 5.609 4 HB3 MET 1 HB1 MET 1 33.697 -7.108 5.753 5 HG2 MET 1 HG2 MET 1 34.011 -7.510 8.063 6 HG3 MET 1 HG1 MET 1 32.516 -8.432 8.193 7 HE1 MET 1 HE1 MET 1 34.114 -9.939 9.599 8 HE2 MET 1 HE2 MET 1 34.476 -11.488 8.841 9 HE3 MET 1 HE3 MET 1 32.836 -10.848 8.779 10 H ALA 2 HN ALA 2 33.172 -5.791 4.560 11 HA ALA 2 HA ALA 2 31.151 -5.638 2.551 12 HB1 ALA 2 HB1 ALA 2 31.128 -3.092 2.386 13 HB2 ALA 2 HB2 ALA 2 31.777 -3.072 4.026 14 HB3 ALA 2 HB3 ALA 2 30.192 -3.781 3.712 15 H LEU 3 HN LEU 3 32.726 -6.446 1.190 16 HA LEU 3 HA LEU 3 35.424 -5.525 1.052 17 HB2 LEU 3 HB2 LEU 3 33.863 -6.680 -1.268 18 HB3 LEU 3 HB1 LEU 3 35.580 -6.829 -0.933 19 HG LEU 3 HG LEU 3 33.301 -8.060 0.628 20 HD11 LEU 3 HD11 LEU 3 33.932 -9.236 -1.432 21 HD12 LEU 3 HD12 LEU 3 34.417 -10.168 -0.015 22 HD13 LEU 3 HD13 LEU 3 35.619 -9.248 -0.921 23 HD21 LEU 3 HD21 LEU 3 34.873 -7.425 2.285 24 HD22 LEU 3 HD22 LEU 3 36.247 -7.798 1.245 25 HD23 LEU 3 HD23 LEU 3 35.275 -9.103 1.925 26 H ASP 4 HN ASP 4 33.099 -5.125 -1.570 27 HA ASP 4 HA ASP 4 33.852 -2.234 -1.798 28 HB2 ASP 4 HB2 ASP 4 35.160 -3.589 -3.438 29 HB3 ASP 4 HB1 ASP 4 33.642 -4.182 -4.115 30 H GLY 5 HN GLY 5 31.428 -4.506 -1.496 31 HA2 GLY 5 HA2 GLY 5 29.370 -3.820 -3.229 32 HA3 GLY 5 HA1 GLY 5 29.090 -4.211 -1.533 33 H ILE 6 HN ILE 6 30.770 -1.863 -0.706 34 HA ILE 6 HA ILE 6 28.827 0.033 -0.124 35 HB ILE 6 HB ILE 6 31.700 0.630 -0.817 36 HG12 ILE 6 HG12 ILE 6 30.482 -0.168 1.844 37 HG13 ILE 6 HG11 ILE 6 31.411 -1.248 0.820 38 HG21 ILE 6 HG21 ILE 6 30.522 2.679 -0.566 39 HG22 ILE 6 HG22 ILE 6 31.289 2.415 0.996 40 HG23 ILE 6 HG23 ILE 6 29.575 2.062 0.785 41 HD11 ILE 6 HD11 ILE 6 33.337 0.339 0.958 42 HD12 ILE 6 HD12 ILE 6 32.886 -0.338 2.523 43 HD13 ILE 6 HD13 ILE 6 32.408 1.307 2.102 44 H ARG 7 HN ARG 7 30.037 -0.711 -3.198 45 HA ARG 7 HA ARG 7 30.211 1.506 -4.742 46 HB2 ARG 7 HB2 ARG 7 28.806 -1.125 -5.098 47 HB3 ARG 7 HB1 ARG 7 28.813 0.048 -6.386 48 HG2 ARG 7 HG2 ARG 7 31.428 -0.629 -5.093 49 HG3 ARG 7 HG1 ARG 7 30.718 -1.789 -6.210 50 HD2 ARG 7 HD2 ARG 7 30.857 -0.321 -8.030 51 HD3 ARG 7 HD1 ARG 7 30.933 1.105 -6.994 52 HE ARG 7 HE ARG 7 33.251 -0.187 -6.339 53 HH11 ARG 7 HH21 ARG 7 31.715 0.601 -9.327 54 HH12 ARG 7 HH22 ARG 7 33.202 0.749 -10.204 55 HH21 ARG 7 HH11 ARG 7 35.198 0.000 -7.470 56 HH22 ARG 7 HH12 ARG 7 35.172 0.408 -9.153 57 H MET 8 HN MET 8 27.149 -0.077 -3.967 58 HA MET 8 HA MET 8 25.773 2.262 -3.376 59 HB2 MET 8 HB2 MET 8 24.289 1.889 -5.676 60 HB3 MET 8 HB1 MET 8 25.497 3.126 -5.431 61 HG2 MET 8 HG2 MET 8 27.079 2.098 -6.747 62 HG3 MET 8 HG1 MET 8 26.502 0.482 -6.384 63 HE1 MET 8 HE1 MET 8 26.323 1.487 -10.302 64 HE2 MET 8 HE2 MET 8 27.428 0.990 -9.023 65 HE3 MET 8 HE3 MET 8 27.030 2.695 -9.219 66 HA PRO 9 HA PRO 9 22.168 -0.978 -3.649 67 HB2 PRO 9 HB2 PRO 9 23.901 -3.374 -4.255 68 HB3 PRO 9 HB1 PRO 9 22.161 -3.143 -4.553 69 HG2 PRO 9 HG2 PRO 9 23.816 -2.842 -6.544 70 HG3 PRO 9 HG1 PRO 9 22.536 -1.635 -6.283 71 HD2 PRO 9 HD2 PRO 9 25.469 -1.412 -5.685 72 HD3 PRO 9 HD1 PRO 9 24.333 -0.202 -6.317 73 H ASP 10 HN ASP 10 25.391 -1.327 -2.445 74 HA ASP 10 HA ASP 10 24.331 -2.520 0.107 75 HB2 ASP 10 HB2 ASP 10 27.274 -2.381 -0.333 76 HB3 ASP 10 HB1 ASP 10 26.305 -3.665 0.365 77 H GLY 11 HN GLY 11 25.695 0.254 -1.398 78 HA2 GLY 11 HA2 GLY 11 26.063 1.570 1.277 79 HA3 GLY 11 HA1 GLY 11 27.058 1.956 -0.123 80 H CYS 12 HN CYS 12 24.447 1.547 -1.738 81 HA CYS 12 HA CYS 12 23.702 4.355 -1.713 82 HB2 CYS 12 HB2 CYS 12 23.798 3.345 -3.879 83 HB3 CYS 12 HB1 CYS 12 22.705 2.045 -3.405 84 HG CYS 12 HG CYS 12 21.819 4.661 -4.492 85 H TYR 13 HN TYR 13 21.531 1.546 -1.902 86 HA TYR 13 HA TYR 13 19.649 2.941 -0.047 87 HB2 TYR 13 HB2 TYR 13 19.400 1.052 -2.311 88 HB3 TYR 13 HB1 TYR 13 18.370 0.623 -0.950 89 HD1 TYR 13 HD1 TYR 13 19.433 4.026 -2.103 90 HD2 TYR 13 HD2 TYR 13 16.204 1.229 -1.658 91 HE1 TYR 13 HE1 TYR 13 17.818 5.783 -2.774 92 HE2 TYR 13 HE2 TYR 13 14.589 2.986 -2.327 93 HH TYR 13 HH TYR 13 15.269 5.598 -3.914 94 H ALA 14 HN ALA 14 19.666 2.350 2.049 95 HA ALA 14 HA ALA 14 20.954 -0.189 2.853 96 HB1 ALA 14 HB1 ALA 14 19.821 2.106 4.478 97 HB2 ALA 14 HB2 ALA 14 21.526 1.812 4.136 98 HB3 ALA 14 HB3 ALA 14 20.628 0.695 5.164 99 H ASP 15 HN ASP 15 17.840 1.453 3.173 100 HA ASP 15 HA ASP 15 16.429 -1.092 3.150 101 HB2 ASP 15 HB2 ASP 15 17.167 -0.280 5.598 102 HB3 ASP 15 HB1 ASP 15 15.748 0.744 5.434 103 H GLY 16 HN GLY 16 15.750 2.209 4.225 104 HA2 GLY 16 HA2 GLY 16 14.148 3.764 3.493 105 HA3 GLY 16 HA1 GLY 16 14.638 3.255 1.877 106 H THR 17 HN THR 17 13.570 0.562 3.493 107 HA THR 17 HA THR 17 11.027 0.604 1.979 108 HB THR 17 HB THR 17 11.986 -1.508 1.811 109 HG1 THR 17 HG1 THR 17 10.405 -2.609 2.587 110 HG21 THR 17 HG21 THR 17 12.951 -2.670 3.865 111 HG22 THR 17 HG22 THR 17 12.810 -1.112 4.679 112 HG23 THR 17 HG23 THR 17 13.854 -1.279 3.266 113 H TRP 18 HN TRP 18 9.185 -0.620 3.299 114 HA TRP 18 HA TRP 18 8.963 -0.121 6.108 115 HB2 TRP 18 HB2 TRP 18 7.123 1.762 5.736 116 HB3 TRP 18 HB1 TRP 18 8.823 2.176 5.893 117 HD1 TRP 18 HD1 TRP 18 9.918 3.425 3.977 118 HE1 TRP 18 HE1 TRP 18 9.162 4.208 1.629 119 HE3 TRP 18 HE3 TRP 18 5.517 0.853 3.529 120 HZ2 TRP 18 HZ2 TRP 18 7.010 3.828 -0.152 121 HZ3 TRP 18 HZ3 TRP 18 4.160 1.085 1.447 122 HH2 TRP 18 HH2 TRP 18 4.903 2.569 -0.362 123 H GLU 19 HN GLU 19 6.231 0.252 6.451 124 HA GLU 19 HA GLU 19 4.974 -1.842 4.757 125 HB2 GLU 19 HB2 GLU 19 3.830 -2.726 6.706 126 HB3 GLU 19 HB1 GLU 19 5.565 -2.770 6.990 127 HG2 GLU 19 HG2 GLU 19 3.666 -0.649 8.020 128 HG3 GLU 19 HG1 GLU 19 4.371 -1.945 8.979 129 H LEU 20 HN LEU 20 2.553 -1.765 5.471 130 HA LEU 20 HA LEU 20 1.562 1.028 5.616 131 HB2 LEU 20 HB2 LEU 20 1.683 -0.633 3.248 132 HB3 LEU 20 HB1 LEU 20 -0.008 -0.334 3.650 133 HG LEU 20 HG LEU 20 0.899 1.373 2.115 134 HD11 LEU 20 HD11 LEU 20 -0.808 1.836 4.078 135 HD12 LEU 20 HD12 LEU 20 -0.166 3.170 3.120 136 HD13 LEU 20 HD13 LEU 20 0.504 2.833 4.710 137 HD21 LEU 20 HD21 LEU 20 2.585 2.583 4.268 138 HD22 LEU 20 HD22 LEU 20 2.779 2.627 2.518 139 HD23 LEU 20 HD23 LEU 20 3.223 1.183 3.413 140 H SER 21 HN SER 21 -0.646 1.164 6.234 141 HA SER 21 HA SER 21 -1.812 -1.318 7.389 142 HB2 SER 21 HB2 SER 21 -2.890 0.391 9.033 143 HB3 SER 21 HB1 SER 21 -1.215 -0.077 9.271 144 HG SER 21 HG SER 21 -1.372 1.964 7.534 145 H VAL 22 HN VAL 22 -3.756 -1.795 6.753 146 HA VAL 22 HA VAL 22 -5.339 0.242 5.252 147 HB VAL 22 HB VAL 22 -4.827 -2.659 4.703 148 HG11 VAL 22 HG11 VAL 22 -7.239 -2.757 5.070 149 HG12 VAL 22 HG12 VAL 22 -6.934 -2.762 3.334 150 HG13 VAL 22 HG13 VAL 22 -7.465 -1.283 4.125 151 HG21 VAL 22 HG21 VAL 22 -4.951 -1.818 2.384 152 HG22 VAL 22 HG22 VAL 22 -3.820 -0.868 3.350 153 HG23 VAL 22 HG23 VAL 22 -5.426 -0.233 2.987 154 H HIS 23 HN HIS 23 -7.544 0.061 5.421 155 HA HIS 23 HA HIS 23 -8.699 -1.086 7.913 156 HB2 HIS 23 HB2 HIS 23 -8.001 1.611 7.572 157 HB3 HIS 23 HB1 HIS 23 -9.724 1.614 7.257 158 HD1 HIS 23 HD1 HIS 23 -7.317 1.661 9.980 159 HD2 HIS 23 HD2 HIS 23 -11.223 0.279 9.508 160 HE1 HIS 23 HE1 HIS 23 -8.259 1.364 12.313 161 H VAL 24 HN VAL 24 -10.591 -2.126 7.398 162 HA VAL 24 HA VAL 24 -11.815 -1.579 4.783 163 HB VAL 24 HB VAL 24 -12.809 -3.666 6.683 164 HG11 VAL 24 HG11 VAL 24 -12.527 -3.730 3.664 165 HG12 VAL 24 HG12 VAL 24 -13.960 -3.104 4.473 166 HG13 VAL 24 HG13 VAL 24 -13.496 -4.793 4.678 167 HG21 VAL 24 HG21 VAL 24 -11.125 -5.186 5.414 168 HG22 VAL 24 HG22 VAL 24 -10.508 -4.177 6.718 169 HG23 VAL 24 HG23 VAL 24 -10.273 -3.685 5.042 170 H THR 25 HN THR 25 -13.104 0.144 4.774 171 HA THR 25 HA THR 25 -14.830 0.774 7.063 172 HB THR 25 HB THR 25 -15.643 2.578 5.389 173 HG1 THR 25 HG1 THR 25 -14.652 2.679 3.521 174 HG21 THR 25 HG21 THR 25 -12.714 2.501 6.159 175 HG22 THR 25 HG22 THR 25 -14.031 2.996 7.224 176 HG23 THR 25 HG23 THR 25 -13.651 3.949 5.789 177 H ASP 26 HN ASP 26 -17.218 0.933 6.748 178 HA ASP 26 HA ASP 26 -19.280 0.101 5.992 179 HB2 ASP 26 HB2 ASP 26 -18.017 -1.101 3.538 180 HB3 ASP 26 HB1 ASP 26 -19.572 -0.291 3.714 181 H VAL 27 HN VAL 27 -16.468 -1.737 6.433 182 HA VAL 27 HA VAL 27 -18.081 -4.242 6.823 183 HB VAL 27 HB VAL 27 -15.129 -4.183 6.189 184 HG11 VAL 27 HG11 VAL 27 -17.154 -6.355 5.621 185 HG12 VAL 27 HG12 VAL 27 -16.381 -6.216 7.200 186 HG13 VAL 27 HG13 VAL 27 -15.401 -6.497 5.759 187 HG21 VAL 27 HG21 VAL 27 -16.300 -3.089 4.320 188 HG22 VAL 27 HG22 VAL 27 -17.444 -4.426 4.242 189 HG23 VAL 27 HG23 VAL 27 -15.748 -4.691 3.839 190 H ASN 28 HN ASN 28 -15.660 -2.021 7.965 191 HA ASN 28 HA ASN 28 -14.978 -1.519 10.108 192 HB2 ASN 28 HB2 ASN 28 -17.400 -2.453 10.449 193 HB3 ASN 28 HB1 ASN 28 -16.559 -3.789 11.221 194 HD21 ASN 28 HD21 ASN 28 -14.360 -2.182 12.314 195 HD22 ASN 28 HD22 ASN 28 -15.011 -1.226 13.557 196 H ARG 29 HN ARG 29 -13.851 -3.890 8.456 197 HA ARG 29 HA ARG 29 -12.380 -5.252 10.698 198 HB2 ARG 29 HB2 ARG 29 -11.787 -6.141 7.915 199 HB3 ARG 29 HB1 ARG 29 -12.115 -7.097 9.361 200 HG2 ARG 29 HG2 ARG 29 -14.537 -6.517 9.152 201 HG3 ARG 29 HG1 ARG 29 -14.162 -5.694 7.640 202 HD2 ARG 29 HD2 ARG 29 -14.989 -8.090 7.393 203 HD3 ARG 29 HD1 ARG 29 -13.457 -7.735 6.596 204 HE ARG 29 HE ARG 29 -13.144 -8.775 9.309 205 HH11 ARG 29 HH21 ARG 29 -13.563 -9.458 5.955 206 HH12 ARG 29 HH22 ARG 29 -12.844 -11.030 6.049 207 HH21 ARG 29 HH11 ARG 29 -12.203 -10.824 9.450 208 HH22 ARG 29 HH12 ARG 29 -12.072 -11.803 8.028 209 H ASP 30 HN ASP 30 -9.947 -5.707 9.708 210 HA ASP 30 HA ASP 30 -8.946 -3.393 8.236 211 HB2 ASP 30 HB2 ASP 30 -7.240 -3.293 10.474 212 HB3 ASP 30 HB1 ASP 30 -8.476 -2.109 10.048 213 H VAL 31 HN VAL 31 -6.995 -3.773 7.338 214 HA VAL 31 HA VAL 31 -5.536 -6.260 8.013 215 HB VAL 31 HB VAL 31 -6.251 -5.549 5.152 216 HG11 VAL 31 HG11 VAL 31 -4.377 -7.072 5.450 217 HG12 VAL 31 HG12 VAL 31 -5.761 -7.987 4.853 218 HG13 VAL 31 HG13 VAL 31 -5.321 -8.069 6.557 219 HG21 VAL 31 HG21 VAL 31 -8.026 -7.283 5.299 220 HG22 VAL 31 HG22 VAL 31 -8.370 -5.900 6.335 221 HG23 VAL 31 HG23 VAL 31 -7.752 -7.396 7.036 222 H THR 32 HN THR 32 -3.279 -6.063 6.991 223 HA THR 32 HA THR 32 -2.628 -3.226 6.296 224 HB THR 32 HB THR 32 -0.629 -3.377 7.669 225 HG1 THR 32 HG1 THR 32 -1.117 -5.952 7.510 226 HG21 THR 32 HG21 THR 32 -3.023 -2.831 8.628 227 HG22 THR 32 HG22 THR 32 -1.656 -3.021 9.724 228 HG23 THR 32 HG23 THR 32 -2.793 -4.350 9.494 229 H LEU 33 HN LEU 33 -0.955 -2.931 4.860 230 HA LEU 33 HA LEU 33 -0.268 -5.347 3.267 231 HB2 LEU 33 HB2 LEU 33 -0.388 -2.406 2.672 232 HB3 LEU 33 HB1 LEU 33 0.642 -3.433 1.690 233 HG LEU 33 HG LEU 33 -1.591 -3.123 0.703 234 HD11 LEU 33 HD11 LEU 33 -0.164 -5.365 0.658 235 HD12 LEU 33 HD12 LEU 33 -1.760 -5.272 -0.075 236 HD13 LEU 33 HD13 LEU 33 -1.573 -5.999 1.510 237 HD21 LEU 33 HD21 LEU 33 -2.891 -4.869 2.726 238 HD22 LEU 33 HD22 LEU 33 -3.559 -3.551 1.769 239 HD23 LEU 33 HD23 LEU 33 -2.608 -3.195 3.202 240 H ARG 34 HN ARG 34 1.775 -5.912 2.938 241 HA ARG 34 HA ARG 34 3.917 -4.485 4.480 242 HB2 ARG 34 HB2 ARG 34 3.250 -7.154 4.561 243 HB3 ARG 34 HB1 ARG 34 4.437 -7.170 3.268 244 HG2 ARG 34 HG2 ARG 34 5.632 -7.548 5.322 245 HG3 ARG 34 HG1 ARG 34 6.005 -5.912 4.789 246 HD2 ARG 34 HD2 ARG 34 4.880 -4.940 6.555 247 HD3 ARG 34 HD1 ARG 34 3.651 -6.197 6.613 248 HE ARG 34 HE ARG 34 6.182 -6.200 8.072 249 HH11 ARG 34 HH21 ARG 34 3.617 -8.030 6.680 250 HH12 ARG 34 HH22 ARG 34 3.823 -9.381 7.744 251 HH21 ARG 34 HH11 ARG 34 6.465 -7.952 9.476 252 HH22 ARG 34 HH12 ARG 34 5.436 -9.337 9.327 253 H VAL 35 HN VAL 35 4.401 -2.896 2.859 254 HA VAL 35 HA VAL 35 5.682 -3.969 0.407 255 HB VAL 35 HB VAL 35 4.300 -2.449 -1.005 256 HG11 VAL 35 HG11 VAL 35 2.449 -3.928 -1.183 257 HG12 VAL 35 HG12 VAL 35 2.534 -4.364 0.520 258 HG13 VAL 35 HG13 VAL 35 3.786 -4.914 -0.598 259 HG21 VAL 35 HG21 VAL 35 1.990 -1.913 0.282 260 HG22 VAL 35 HG22 VAL 35 3.343 -0.786 0.299 261 HG23 VAL 35 HG23 VAL 35 3.072 -1.853 1.670 262 H THR 36 HN THR 36 6.024 -1.815 -1.074 263 HA THR 36 HA THR 36 7.191 0.335 0.634 264 HB THR 36 HB THR 36 9.189 0.311 -0.899 265 HG1 THR 36 HG1 THR 36 8.632 -2.337 -1.508 266 HG21 THR 36 HG21 THR 36 9.204 -0.697 1.378 267 HG22 THR 36 HG22 THR 36 10.290 -1.524 0.261 268 HG23 THR 36 HG23 THR 36 8.733 -2.241 0.669 269 H GLY 37 HN GLY 37 8.022 2.081 -0.956 270 HA2 GLY 37 HA2 GLY 37 5.908 3.291 -2.337 271 HA3 GLY 37 HA1 GLY 37 7.595 3.676 -2.587 272 H GLU 38 HN GLU 38 7.126 0.426 -3.245 273 HA GLU 38 HA GLU 38 7.202 0.996 -6.167 274 HB2 GLU 38 HB2 GLU 38 8.378 -1.082 -6.350 275 HB3 GLU 38 HB1 GLU 38 9.028 -0.248 -4.940 276 HG2 GLU 38 HG2 GLU 38 8.678 -2.359 -4.026 277 HG3 GLU 38 HG1 GLU 38 7.143 -1.573 -3.638 278 H VAL 39 HN VAL 39 5.112 -0.508 -3.814 279 HA VAL 39 HA VAL 39 3.928 -2.413 -5.634 280 HB VAL 39 HB VAL 39 3.715 -2.716 -3.243 281 HG11 VAL 39 HG11 VAL 39 2.402 -1.212 -1.872 282 HG12 VAL 39 HG12 VAL 39 1.985 -0.235 -3.270 283 HG13 VAL 39 HG13 VAL 39 3.647 -0.291 -2.697 284 HG21 VAL 39 HG21 VAL 39 0.993 -2.089 -4.417 285 HG22 VAL 39 HG22 VAL 39 1.358 -3.233 -3.128 286 HG23 VAL 39 HG23 VAL 39 1.911 -3.551 -4.770 287 H HIS 40 HN HIS 40 2.405 -2.131 -7.149 288 HA HIS 40 HA HIS 40 1.558 0.510 -7.930 289 HB2 HIS 40 HB2 HIS 40 0.745 -2.280 -8.741 290 HB3 HIS 40 HB1 HIS 40 -0.083 -0.867 -9.383 291 HD1 HIS 40 HD1 HIS 40 2.218 1.061 -9.841 292 HD2 HIS 40 HD2 HIS 40 2.459 -2.988 -10.804 293 HE1 HIS 40 HE1 HIS 40 4.038 0.847 -11.589 294 H ILE 41 HN ILE 41 -0.509 1.504 -7.586 295 HA ILE 41 HA ILE 41 -1.869 0.849 -5.171 296 HB ILE 41 HB ILE 41 -3.152 2.147 -7.583 297 HG12 ILE 41 HG12 ILE 41 -1.400 3.368 -5.427 298 HG13 ILE 41 HG11 ILE 41 -0.981 3.217 -7.130 299 HG21 ILE 41 HG21 ILE 41 -4.609 3.139 -5.994 300 HG22 ILE 41 HG22 ILE 41 -3.574 2.691 -4.639 301 HG23 ILE 41 HG23 ILE 41 -4.492 1.453 -5.498 302 HD11 ILE 41 HD11 ILE 41 -2.349 5.358 -5.885 303 HD12 ILE 41 HD12 ILE 41 -3.545 4.550 -6.892 304 HD13 ILE 41 HD13 ILE 41 -2.049 5.131 -7.601 305 H GLY 42 HN GLY 42 -2.594 0.187 -8.561 306 HA2 GLY 42 HA2 GLY 42 -4.810 -1.565 -8.114 307 HA3 GLY 42 HA1 GLY 42 -3.775 -1.565 -9.553 308 H GLY 43 HN GLY 43 -1.645 -1.818 -7.097 309 HA2 GLY 43 HA2 GLY 43 -1.627 -4.814 -7.187 310 HA3 GLY 43 HA1 GLY 43 -0.187 -3.807 -7.002 311 H VAL 44 HN VAL 44 -1.596 -1.945 -5.232 312 HA VAL 44 HA VAL 44 -0.931 -3.038 -2.703 313 HB VAL 44 HB VAL 44 -2.602 -0.759 -3.718 314 HG11 VAL 44 HG11 VAL 44 -3.858 -1.333 -1.784 315 HG12 VAL 44 HG12 VAL 44 -2.809 -0.006 -1.290 316 HG13 VAL 44 HG13 VAL 44 -2.402 -1.660 -0.853 317 HG21 VAL 44 HG21 VAL 44 -0.880 0.521 -2.303 318 HG22 VAL 44 HG22 VAL 44 -0.293 -0.277 -3.757 319 HG23 VAL 44 HG23 VAL 44 -0.018 -1.011 -2.178 320 H MET 45 HN MET 45 -3.914 -2.938 -4.581 321 HA MET 45 HA MET 45 -5.553 -4.201 -2.555 322 HB2 MET 45 HB2 MET 45 -6.597 -4.743 -5.193 323 HB3 MET 45 HB1 MET 45 -7.189 -3.592 -4.004 324 HG2 MET 45 HG2 MET 45 -5.602 -1.903 -4.820 325 HG3 MET 45 HG1 MET 45 -4.980 -3.052 -6.001 326 HE1 MET 45 HE1 MET 45 -7.715 -0.408 -5.227 327 HE2 MET 45 HE2 MET 45 -7.875 -0.029 -6.938 328 HE3 MET 45 HE3 MET 45 -6.274 -0.111 -6.207 329 H LEU 46 HN LEU 46 -3.827 -5.407 -5.434 330 HA LEU 46 HA LEU 46 -4.588 -8.140 -5.074 331 HB2 LEU 46 HB2 LEU 46 -1.967 -7.152 -6.226 332 HB3 LEU 46 HB1 LEU 46 -2.757 -8.692 -6.559 333 HG LEU 46 HG LEU 46 -3.952 -5.988 -7.210 334 HD11 LEU 46 HD11 LEU 46 -2.836 -7.972 -9.199 335 HD12 LEU 46 HD12 LEU 46 -1.828 -6.705 -8.505 336 HD13 LEU 46 HD13 LEU 46 -3.247 -6.277 -9.457 337 HD21 LEU 46 HD21 LEU 46 -4.779 -8.852 -7.712 338 HD22 LEU 46 HD22 LEU 46 -5.373 -7.539 -8.728 339 HD23 LEU 46 HD23 LEU 46 -5.726 -7.544 -7.002 340 H LYS 47 HN LYS 47 -1.538 -6.509 -4.189 341 HA LYS 47 HA LYS 47 -0.394 -8.575 -2.738 342 HB2 LYS 47 HB2 LYS 47 0.533 -6.238 -3.197 343 HB3 LYS 47 HB1 LYS 47 -0.406 -5.693 -1.824 344 HG2 LYS 47 HG2 LYS 47 1.606 -6.183 -0.766 345 HG3 LYS 47 HG1 LYS 47 0.756 -7.717 -0.590 346 HD2 LYS 47 HD2 LYS 47 2.983 -8.212 -1.410 347 HD3 LYS 47 HD1 LYS 47 1.854 -8.481 -2.735 348 HE2 LYS 47 HE2 LYS 47 2.740 -6.789 -3.994 349 HE3 LYS 47 HE1 LYS 47 2.927 -5.718 -2.609 350 HZ1 LYS 47 HZ1 LYS 47 5.089 -6.194 -3.113 351 HZ2 LYS 47 HZ2 LYS 47 4.752 -7.779 -3.625 352 HZ3 LYS 47 HZ3 LYS 47 4.774 -7.404 -1.967 353 H LEU 48 HN LEU 48 -3.091 -6.546 -1.940 354 HA LEU 48 HA LEU 48 -3.265 -7.519 0.829 355 HB2 LEU 48 HB2 LEU 48 -3.964 -5.297 0.548 356 HB3 LEU 48 HB1 LEU 48 -4.874 -5.653 -0.890 357 HG LEU 48 HG LEU 48 -6.567 -6.814 0.400 358 HD11 LEU 48 HD11 LEU 48 -4.611 -6.390 2.663 359 HD12 LEU 48 HD12 LEU 48 -5.309 -7.903 2.112 360 HD13 LEU 48 HD13 LEU 48 -6.312 -6.730 2.956 361 HD21 LEU 48 HD21 LEU 48 -6.455 -4.246 0.277 362 HD22 LEU 48 HD22 LEU 48 -5.885 -4.308 1.945 363 HD23 LEU 48 HD23 LEU 48 -7.481 -4.940 1.534 364 H VAL 49 HN VAL 49 -5.323 -7.717 -2.112 365 HA VAL 49 HA VAL 49 -7.119 -9.653 -1.031 366 HB VAL 49 HB VAL 49 -6.222 -9.268 -3.904 367 HG11 VAL 49 HG11 VAL 49 -8.408 -10.352 -4.438 368 HG12 VAL 49 HG12 VAL 49 -8.615 -10.699 -2.722 369 HG13 VAL 49 HG13 VAL 49 -7.290 -11.440 -3.615 370 HG21 VAL 49 HG21 VAL 49 -7.313 -7.316 -2.533 371 HG22 VAL 49 HG22 VAL 49 -8.790 -8.273 -2.665 372 HG23 VAL 49 HG23 VAL 49 -7.976 -7.704 -4.122 373 H GLU 50 HN GLU 50 -4.006 -9.929 -2.666 374 HA GLU 50 HA GLU 50 -3.916 -12.777 -2.811 375 HB2 GLU 50 HB2 GLU 50 -1.740 -10.684 -2.588 376 HB3 GLU 50 HB1 GLU 50 -1.403 -12.404 -2.804 377 HG2 GLU 50 HG2 GLU 50 -2.725 -12.427 -4.861 378 HG3 GLU 50 HG1 GLU 50 -3.126 -10.734 -4.646 379 H LYS 51 HN LYS 51 -2.878 -10.448 -0.280 380 HA LYS 51 HA LYS 51 -1.806 -12.348 1.533 381 HB2 LYS 51 HB2 LYS 51 -2.940 -9.604 1.713 382 HB3 LYS 51 HB1 LYS 51 -2.917 -10.505 3.213 383 HG2 LYS 51 HG2 LYS 51 -0.492 -10.930 2.912 384 HG3 LYS 51 HG1 LYS 51 -0.532 -10.014 1.409 385 HD2 LYS 51 HD2 LYS 51 0.282 -8.604 3.257 386 HD3 LYS 51 HD1 LYS 51 -1.252 -8.004 2.633 387 HE2 LYS 51 HE2 LYS 51 -0.878 -8.255 5.246 388 HE3 LYS 51 HE1 LYS 51 -2.438 -8.650 4.528 389 HZ1 LYS 51 HZ1 LYS 51 -1.853 -10.437 5.926 390 HZ2 LYS 51 HZ2 LYS 51 -0.273 -10.516 5.309 391 HZ3 LYS 51 HZ3 LYS 51 -1.589 -10.984 4.343 392 H LEU 52 HN LEU 52 -5.141 -10.976 1.477 393 HA LEU 52 HA LEU 52 -6.237 -12.743 3.406 394 HB2 LEU 52 HB2 LEU 52 -7.635 -11.684 0.928 395 HB3 LEU 52 HB1 LEU 52 -8.414 -12.241 2.408 396 HG LEU 52 HG LEU 52 -6.460 -9.927 2.292 397 HD11 LEU 52 HD11 LEU 52 -8.378 -8.452 2.390 398 HD12 LEU 52 HD12 LEU 52 -9.481 -9.824 2.503 399 HD13 LEU 52 HD13 LEU 52 -8.588 -9.531 1.010 400 HD21 LEU 52 HD21 LEU 52 -6.491 -10.726 4.515 401 HD22 LEU 52 HD22 LEU 52 -8.202 -11.144 4.442 402 HD23 LEU 52 HD23 LEU 52 -7.709 -9.456 4.533 403 H ASP 53 HN ASP 53 -8.174 -14.319 2.408 404 HA ASP 53 HA ASP 53 -6.707 -16.290 0.676 405 HB2 ASP 53 HB2 ASP 53 -8.329 -17.946 1.755 406 HB3 ASP 53 HB1 ASP 53 -7.086 -17.280 2.814 407 H VAL 54 HN VAL 54 -10.058 -15.306 1.505 408 HA VAL 54 HA VAL 54 -11.353 -16.448 -0.706 409 HB VAL 54 HB VAL 54 -12.002 -13.759 0.538 410 HG11 VAL 54 HG11 VAL 54 -13.254 -14.164 -1.506 411 HG12 VAL 54 HG12 VAL 54 -14.330 -14.396 -0.128 412 HG13 VAL 54 HG13 VAL 54 -13.665 -15.794 -0.973 413 HG21 VAL 54 HG21 VAL 54 -13.317 -14.956 2.155 414 HG22 VAL 54 HG22 VAL 54 -11.720 -15.704 2.156 415 HG23 VAL 54 HG23 VAL 54 -13.060 -16.488 1.319 416 H LYS 55 HN LYS 55 -11.757 -15.749 -2.828 417 HA LYS 55 HA LYS 55 -9.737 -13.980 -3.979 418 HB2 LYS 55 HB2 LYS 55 -12.071 -15.536 -5.108 419 HB3 LYS 55 HB1 LYS 55 -11.112 -14.451 -6.111 420 HG2 LYS 55 HG2 LYS 55 -9.719 -16.529 -4.422 421 HG3 LYS 55 HG1 LYS 55 -10.461 -17.008 -5.946 422 HD2 LYS 55 HD2 LYS 55 -9.143 -15.179 -7.082 423 HD3 LYS 55 HD1 LYS 55 -8.297 -14.918 -5.557 424 HE2 LYS 55 HE2 LYS 55 -6.934 -16.408 -6.853 425 HE3 LYS 55 HE1 LYS 55 -7.696 -17.385 -5.598 426 HZ1 LYS 55 HZ1 LYS 55 -9.309 -17.180 -7.947 427 HZ2 LYS 55 HZ2 LYS 55 -8.792 -18.564 -7.108 428 HZ3 LYS 55 HZ3 LYS 55 -7.790 -17.855 -8.283 429 H LYS 56 HN LYS 56 -10.360 -11.982 -2.833 430 HA LYS 56 HA LYS 56 -12.996 -10.826 -3.380 431 HB2 LYS 56 HB2 LYS 56 -10.644 -10.170 -1.716 432 HB3 LYS 56 HB1 LYS 56 -11.363 -8.746 -2.443 433 HG2 LYS 56 HG2 LYS 56 -12.507 -8.958 -0.397 434 HG3 LYS 56 HG1 LYS 56 -13.624 -9.674 -1.552 435 HD2 LYS 56 HD2 LYS 56 -13.491 -11.184 0.315 436 HD3 LYS 56 HD1 LYS 56 -12.604 -11.922 -1.015 437 HE2 LYS 56 HE2 LYS 56 -10.645 -11.887 0.160 438 HE3 LYS 56 HE1 LYS 56 -10.877 -10.210 0.651 439 HZ1 LYS 56 HZ1 LYS 56 -10.905 -11.634 2.566 440 HZ2 LYS 56 HZ2 LYS 56 -12.131 -12.598 1.894 441 HZ3 LYS 56 HZ3 LYS 56 -12.457 -10.990 2.335 442 H ASP 57 HN ASP 57 -13.277 -8.824 -4.563 443 HA ASP 57 HA ASP 57 -12.072 -8.917 -7.152 444 HB2 ASP 57 HB2 ASP 57 -13.425 -6.479 -6.024 445 HB3 ASP 57 HB1 ASP 57 -13.451 -7.092 -7.676 446 H TRP 58 HN TRP 58 -10.664 -7.380 -8.145 447 HA TRP 58 HA TRP 58 -8.660 -6.243 -6.283 448 HB2 TRP 58 HB2 TRP 58 -8.544 -6.457 -9.298 449 HB3 TRP 58 HB1 TRP 58 -7.208 -6.185 -8.194 450 HD1 TRP 58 HD1 TRP 58 -8.686 -8.547 -6.188 451 HE1 TRP 58 HE1 TRP 58 -8.070 -10.980 -6.755 452 HE3 TRP 58 HE3 TRP 58 -6.924 -7.926 -10.941 453 HZ2 TRP 58 HZ2 TRP 58 -6.977 -12.472 -8.934 454 HZ3 TRP 58 HZ3 TRP 58 -6.101 -9.870 -12.238 455 HH2 TRP 58 HH2 TRP 58 -6.125 -12.141 -11.241 456 H SER 59 HN SER 59 -9.578 -5.048 -9.498 457 HA SER 59 HA SER 59 -9.259 -2.308 -8.700 458 HB2 SER 59 HB2 SER 59 -10.622 -3.485 -11.136 459 HB3 SER 59 HB1 SER 59 -10.190 -1.789 -10.938 460 HG SER 59 HG SER 59 -8.301 -3.873 -10.645 461 H ASP 60 HN ASP 60 -12.174 -4.303 -9.261 462 HA ASP 60 HA ASP 60 -14.163 -2.376 -9.051 463 HB2 ASP 60 HB2 ASP 60 -14.387 -4.949 -9.267 464 HB3 ASP 60 HB1 ASP 60 -14.384 -4.959 -7.506 465 H HIS 61 HN HIS 61 -12.276 -3.791 -6.393 466 HA HIS 61 HA HIS 61 -13.727 -2.271 -4.372 467 HB2 HIS 61 HB2 HIS 61 -11.216 -3.951 -4.282 468 HB3 HIS 61 HB1 HIS 61 -11.882 -3.121 -2.882 469 HD1 HIS 61 HD1 HIS 61 -12.050 -5.879 -2.218 470 HD2 HIS 61 HD2 HIS 61 -14.846 -4.286 -4.867 471 HE1 HIS 61 HE1 HIS 61 -14.026 -7.464 -2.215 472 H ALA 62 HN ALA 62 -12.114 -0.998 -2.783 473 HA ALA 62 HA ALA 62 -10.035 0.487 -4.255 474 HB1 ALA 62 HB1 ALA 62 -11.212 2.687 -3.798 475 HB2 ALA 62 HB2 ALA 62 -12.661 1.746 -3.444 476 HB3 ALA 62 HB3 ALA 62 -11.947 1.695 -5.058 477 H LEU 63 HN LEU 63 -8.884 1.995 -2.851 478 HA LEU 63 HA LEU 63 -9.130 1.285 0.020 479 HB2 LEU 63 HB2 LEU 63 -6.849 2.643 -1.407 480 HB3 LEU 63 HB1 LEU 63 -6.838 2.034 0.239 481 HG LEU 63 HG LEU 63 -5.677 0.447 -1.085 482 HD11 LEU 63 HD11 LEU 63 -7.439 -0.362 0.571 483 HD12 LEU 63 HD12 LEU 63 -6.850 -1.527 -0.616 484 HD13 LEU 63 HD13 LEU 63 -8.419 -0.757 -0.844 485 HD21 LEU 63 HD21 LEU 63 -7.972 -0.130 -2.924 486 HD22 LEU 63 HD22 LEU 63 -6.239 -0.317 -3.199 487 HD23 LEU 63 HD23 LEU 63 -6.976 1.286 -3.268 488 H TRP 64 HN TRP 64 -10.195 2.829 1.260 489 HA TRP 64 HA TRP 64 -10.261 5.606 0.198 490 HB2 TRP 64 HB2 TRP 64 -12.089 4.188 1.682 491 HB3 TRP 64 HB1 TRP 64 -11.274 5.062 2.962 492 HD1 TRP 64 HD1 TRP 64 -10.690 7.771 1.474 493 HE1 TRP 64 HE1 TRP 64 -12.635 9.368 0.911 494 HE3 TRP 64 HE3 TRP 64 -14.595 4.486 1.617 495 HZ2 TRP 64 HZ2 TRP 64 -15.474 9.263 0.566 496 HZ3 TRP 64 HZ3 TRP 64 -16.906 5.259 1.168 497 HH2 TRP 64 HH2 TRP 64 -17.351 7.640 0.643 498 H TRP 65 HN TRP 65 -8.763 7.128 0.821 499 HA TRP 65 HA TRP 65 -6.994 6.457 3.148 500 HB2 TRP 65 HB2 TRP 65 -5.869 6.382 0.970 501 HB3 TRP 65 HB1 TRP 65 -6.377 8.027 0.655 502 HD1 TRP 65 HD1 TRP 65 -3.771 8.466 0.305 503 HE1 TRP 65 HE1 TRP 65 -1.945 9.173 1.959 504 HE3 TRP 65 HE3 TRP 65 -5.926 7.102 4.813 505 HZ2 TRP 65 HZ2 TRP 65 -1.444 9.194 4.735 506 HZ3 TRP 65 HZ3 TRP 65 -4.726 7.511 6.906 507 HH2 TRP 65 HH2 TRP 65 -2.487 8.547 6.884 508 H GLU 66 HN GLU 66 -7.529 7.735 4.835 509 HA GLU 66 HA GLU 66 -9.135 9.940 4.938 510 HB2 GLU 66 HB2 GLU 66 -6.753 9.257 6.658 511 HB3 GLU 66 HB1 GLU 66 -8.060 10.327 7.106 512 HG2 GLU 66 HG2 GLU 66 -8.703 7.532 6.215 513 HG3 GLU 66 HG1 GLU 66 -8.149 7.815 7.855 514 H LYS 67 HN LYS 67 -5.808 9.943 3.770 515 HA LYS 67 HA LYS 67 -4.809 12.410 4.440 516 HB2 LYS 67 HB2 LYS 67 -3.762 10.862 2.847 517 HB3 LYS 67 HB1 LYS 67 -4.909 11.378 1.614 518 HG2 LYS 67 HG2 LYS 67 -4.105 13.626 1.718 519 HG3 LYS 67 HG1 LYS 67 -3.090 13.270 3.111 520 HD2 LYS 67 HD2 LYS 67 -1.716 11.767 1.818 521 HD3 LYS 67 HD1 LYS 67 -2.800 11.913 0.442 522 HE2 LYS 67 HE2 LYS 67 -1.149 13.438 -0.178 523 HE3 LYS 67 HE1 LYS 67 -2.232 14.509 0.709 524 HZ1 LYS 67 HZ1 LYS 67 0.008 13.071 2.005 525 HZ2 LYS 67 HZ2 LYS 67 -0.898 14.370 2.621 526 HZ3 LYS 67 HZ3 LYS 67 0.183 14.619 1.334 527 H LYS 68 HN LYS 68 -7.121 11.990 1.720 528 HA LYS 68 HA LYS 68 -8.066 14.795 2.208 529 HB2 LYS 68 HB2 LYS 68 -7.676 13.611 -0.560 530 HB3 LYS 68 HB1 LYS 68 -8.145 15.260 -0.157 531 HG2 LYS 68 HG2 LYS 68 -5.787 15.148 1.186 532 HG3 LYS 68 HG1 LYS 68 -5.447 13.981 -0.093 533 HD2 LYS 68 HD2 LYS 68 -4.748 15.979 -1.084 534 HD3 LYS 68 HD1 LYS 68 -6.398 15.842 -1.688 535 HE2 LYS 68 HE2 LYS 68 -7.034 17.222 0.443 536 HE3 LYS 68 HE1 LYS 68 -5.322 17.643 0.475 537 HZ1 LYS 68 HZ1 LYS 68 -6.051 17.969 -2.133 538 HZ2 LYS 68 HZ2 LYS 68 -5.838 19.209 -0.991 539 HZ3 LYS 68 HZ3 LYS 68 -7.385 18.565 -1.273 540 H ARG 69 HN ARG 69 -8.855 11.782 2.480 541 HA ARG 69 HA ARG 69 -10.890 10.597 2.444 542 HB2 ARG 69 HB2 ARG 69 -12.303 13.144 1.617 543 HB3 ARG 69 HB1 ARG 69 -12.911 11.818 2.602 544 HG2 ARG 69 HG2 ARG 69 -10.920 13.954 3.389 545 HG3 ARG 69 HG1 ARG 69 -12.484 13.604 4.119 546 HD2 ARG 69 HD2 ARG 69 -11.507 11.280 4.664 547 HD3 ARG 69 HD1 ARG 69 -9.942 11.999 4.293 548 HE ARG 69 HE ARG 69 -10.075 13.221 6.313 549 HH11 ARG 69 HH21 ARG 69 -13.107 11.865 5.384 550 HH12 ARG 69 HH22 ARG 69 -13.897 12.280 6.869 551 HH21 ARG 69 HH11 ARG 69 -11.092 13.771 8.256 552 HH22 ARG 69 HH12 ARG 69 -12.757 13.357 8.494 553 H THR 70 HN THR 70 -9.605 9.929 0.357 554 HA THR 70 HA THR 70 -11.474 10.213 -1.939 555 HB THR 70 HB THR 70 -9.409 11.799 -1.954 556 HG1 THR 70 HG1 THR 70 -10.828 10.903 -3.762 557 HG21 THR 70 HG21 THR 70 -7.891 9.786 -1.322 558 HG22 THR 70 HG22 THR 70 -7.313 10.917 -2.546 559 HG23 THR 70 HG23 THR 70 -7.997 9.366 -3.033 560 H TRP 71 HN TRP 71 -10.060 8.692 -3.735 561 HA TRP 71 HA TRP 71 -9.666 6.065 -2.371 562 HB2 TRP 71 HB2 TRP 71 -10.816 6.187 -5.131 563 HB3 TRP 71 HB1 TRP 71 -11.097 5.022 -3.852 564 HD1 TRP 71 HD1 TRP 71 -11.823 8.784 -4.430 565 HE1 TRP 71 HE1 TRP 71 -14.176 9.287 -3.512 566 HE3 TRP 71 HE3 TRP 71 -13.081 4.166 -2.647 567 HZ2 TRP 71 HZ2 TRP 71 -16.312 7.915 -2.197 568 HZ3 TRP 71 HZ3 TRP 71 -15.283 3.794 -1.578 569 HH2 TRP 71 HH2 TRP 71 -16.898 5.658 -1.348 570 H LEU 72 HN LEU 72 -8.221 4.639 -3.484 571 HA LEU 72 HA LEU 72 -6.303 6.020 -5.328 572 HB2 LEU 72 HB2 LEU 72 -5.654 3.438 -3.929 573 HB3 LEU 72 HB1 LEU 72 -4.588 4.773 -4.367 574 HG LEU 72 HG LEU 72 -6.669 4.872 -2.173 575 HD11 LEU 72 HD11 LEU 72 -4.889 4.632 -0.634 576 HD12 LEU 72 HD12 LEU 72 -3.672 4.783 -1.899 577 HD13 LEU 72 HD13 LEU 72 -4.687 3.342 -1.813 578 HD21 LEU 72 HD21 LEU 72 -4.450 6.785 -2.967 579 HD22 LEU 72 HD22 LEU 72 -5.532 6.988 -1.589 580 HD23 LEU 72 HD23 LEU 72 -6.170 7.061 -3.231 581 H LEU 73 HN LEU 73 -7.272 5.534 -7.321 582 HA LEU 73 HA LEU 73 -8.079 2.734 -7.853 583 HB2 LEU 73 HB2 LEU 73 -8.358 5.003 -9.800 584 HB3 LEU 73 HB1 LEU 73 -9.385 3.591 -9.579 585 HG LEU 73 HG LEU 73 -9.137 5.951 -7.695 586 HD11 LEU 73 HD11 LEU 73 -10.484 6.535 -9.558 587 HD12 LEU 73 HD12 LEU 73 -11.610 6.118 -8.267 588 HD13 LEU 73 HD13 LEU 73 -11.291 4.967 -9.566 589 HD21 LEU 73 HD21 LEU 73 -11.244 4.564 -6.714 590 HD22 LEU 73 HD22 LEU 73 -9.600 4.291 -6.146 591 HD23 LEU 73 HD23 LEU 73 -10.308 3.210 -7.347 592 H LYS 74 HN LYS 74 -6.388 5.172 -9.854 593 HA LYS 74 HA LYS 74 -5.255 3.207 -11.519 594 HB2 LYS 74 HB2 LYS 74 -4.220 4.933 -12.687 595 HB3 LYS 74 HB1 LYS 74 -5.673 5.650 -12.012 596 HG2 LYS 74 HG2 LYS 74 -3.063 5.871 -10.506 597 HG3 LYS 74 HG1 LYS 74 -3.409 6.937 -11.844 598 HD2 LYS 74 HD2 LYS 74 -4.185 8.123 -9.989 599 HD3 LYS 74 HD1 LYS 74 -5.642 7.447 -10.664 600 HE2 LYS 74 HE2 LYS 74 -6.068 6.389 -8.701 601 HE3 LYS 74 HE1 LYS 74 -4.506 5.596 -8.745 602 HZ1 LYS 74 HZ1 LYS 74 -3.955 8.199 -8.113 603 HZ2 LYS 74 HZ2 LYS 74 -3.943 6.873 -7.051 604 HZ3 LYS 74 HZ3 LYS 74 -5.339 7.828 -7.206 605 H THR 75 HN THR 75 -3.172 2.465 -11.819 606 HA THR 75 HA THR 75 -1.620 2.114 -9.351 607 HB THR 75 HB THR 75 -1.707 0.159 -10.699 608 HG1 THR 75 HG1 THR 75 0.673 1.141 -11.759 609 HG21 THR 75 HG21 THR 75 -0.992 0.334 -13.161 610 HG22 THR 75 HG22 THR 75 -1.193 2.077 -12.979 611 HG23 THR 75 HG23 THR 75 -2.570 0.998 -12.743 612 H HIS 76 HN HIS 76 -1.526 3.915 -12.331 613 HA HIS 76 HA HIS 76 1.082 4.767 -12.628 614 HB2 HIS 76 HB2 HIS 76 -0.950 5.436 -13.990 615 HB3 HIS 76 HB1 HIS 76 -1.275 6.646 -12.748 616 HD1 HIS 76 HD1 HIS 76 2.216 5.759 -13.857 617 HD2 HIS 76 HD2 HIS 76 -0.523 8.866 -14.333 618 HE1 HIS 76 HE1 HIS 76 3.478 7.667 -14.944 619 H TRP 77 HN TRP 77 -0.963 5.462 -9.943 620 HA TRP 77 HA TRP 77 0.962 7.548 -8.954 621 HB2 TRP 77 HB2 TRP 77 -1.989 7.178 -8.678 622 HB3 TRP 77 HB1 TRP 77 -1.129 7.896 -7.325 623 HD1 TRP 77 HD1 TRP 77 -1.818 8.465 -11.062 624 HE1 TRP 77 HE1 TRP 77 -1.491 10.969 -11.581 625 HE3 TRP 77 HE3 TRP 77 -0.045 10.077 -6.552 626 HZ2 TRP 77 HZ2 TRP 77 -0.597 13.341 -10.259 627 HZ3 TRP 77 HZ3 TRP 77 0.537 12.461 -6.211 628 HH2 TRP 77 HH2 TRP 77 0.264 14.094 -8.056 629 H THR 78 HN THR 78 2.137 5.435 -8.490 630 HA THR 78 HA THR 78 1.476 3.529 -6.586 631 HB THR 78 HB THR 78 4.217 4.636 -6.252 632 HG1 THR 78 HG1 THR 78 3.292 3.862 -8.811 633 HG21 THR 78 HG21 THR 78 4.173 2.379 -5.711 634 HG22 THR 78 HG22 THR 78 4.689 2.298 -7.384 635 HG23 THR 78 HG23 THR 78 3.017 1.984 -6.973 636 H LEU 79 HN LEU 79 2.135 3.475 -4.241 637 HA LEU 79 HA LEU 79 0.961 5.552 -2.740 638 HB2 LEU 79 HB2 LEU 79 3.211 4.305 -1.289 639 HB3 LEU 79 HB1 LEU 79 1.490 4.245 -0.946 640 HG LEU 79 HG LEU 79 1.305 2.552 -2.854 641 HD11 LEU 79 HD11 LEU 79 4.175 1.921 -2.458 642 HD12 LEU 79 HD12 LEU 79 3.842 3.272 -3.504 643 HD13 LEU 79 HD13 LEU 79 3.171 1.691 -3.853 644 HD21 LEU 79 HD21 LEU 79 3.095 1.212 -0.901 645 HD22 LEU 79 HD22 LEU 79 1.410 0.882 -1.299 646 HD23 LEU 79 HD23 LEU 79 1.802 2.152 -0.149 647 H ASP 80 HN ASP 80 4.389 4.963 -3.392 648 HA ASP 80 HA ASP 80 5.389 7.302 -2.175 649 HB2 ASP 80 HB2 ASP 80 7.124 5.940 -2.783 650 HB3 ASP 80 HB1 ASP 80 6.341 5.398 -4.247 651 H LYS 81 HN LYS 81 4.211 6.845 -5.540 652 HA LYS 81 HA LYS 81 4.764 9.392 -6.557 653 HB2 LYS 81 HB2 LYS 81 2.735 7.333 -7.101 654 HB3 LYS 81 HB1 LYS 81 2.136 8.940 -7.447 655 HG2 LYS 81 HG2 LYS 81 3.097 8.318 -9.473 656 HG3 LYS 81 HG1 LYS 81 4.377 9.255 -8.750 657 HD2 LYS 81 HD2 LYS 81 5.787 7.466 -8.857 658 HD3 LYS 81 HD1 LYS 81 4.692 6.520 -7.866 659 HE2 LYS 81 HE2 LYS 81 5.014 5.390 -10.003 660 HE3 LYS 81 HE1 LYS 81 3.353 5.990 -9.886 661 HZ1 LYS 81 HZ1 LYS 81 5.422 6.706 -11.729 662 HZ2 LYS 81 HZ2 LYS 81 4.747 8.067 -10.969 663 HZ3 LYS 81 HZ3 LYS 81 3.751 6.985 -11.820 664 H TYR 82 HN TYR 82 2.089 8.390 -4.501 665 HA TYR 82 HA TYR 82 0.956 11.063 -4.331 666 HB2 TYR 82 HB2 TYR 82 0.070 8.505 -3.696 667 HB3 TYR 82 HB1 TYR 82 0.342 9.194 -2.100 668 HD1 TYR 82 HD2 TYR 82 -0.740 11.456 -1.554 669 HD2 TYR 82 HD1 TYR 82 -1.828 9.104 -4.982 670 HE1 TYR 82 HE2 TYR 82 -2.869 12.716 -1.747 671 HE2 TYR 82 HE1 TYR 82 -3.956 10.363 -5.170 672 HH TYR 82 HH TYR 82 -4.962 12.379 -4.505 673 H GLY 83 HN GLY 83 3.600 9.447 -2.869 674 HA2 GLY 83 HA2 GLY 83 5.246 10.472 -1.466 675 HA3 GLY 83 HA1 GLY 83 4.123 11.801 -1.154 676 H ILE 84 HN ILE 84 3.403 8.393 -0.960 677 HA ILE 84 HA ILE 84 2.476 8.767 1.834 678 HB ILE 84 HB ILE 84 1.883 6.956 -0.430 679 HG12 ILE 84 HG12 ILE 84 0.179 7.593 1.982 680 HG13 ILE 84 HG11 ILE 84 0.374 8.722 0.642 681 HG21 ILE 84 HG21 ILE 84 1.004 5.152 1.120 682 HG22 ILE 84 HG22 ILE 84 2.014 5.856 2.378 683 HG23 ILE 84 HG23 ILE 84 2.757 5.201 0.915 684 HD11 ILE 84 HD11 ILE 84 -1.640 7.340 0.322 685 HD12 ILE 84 HD12 ILE 84 -0.658 5.878 0.418 686 HD13 ILE 84 HD13 ILE 84 -0.444 6.997 -0.928 687 H GLN 85 HN GLN 85 3.253 7.589 3.567 688 HA GLN 85 HA GLN 85 5.705 5.925 3.163 689 HB2 GLN 85 HB2 GLN 85 5.247 8.087 5.243 690 HB3 GLN 85 HB1 GLN 85 6.603 6.959 5.260 691 HG2 GLN 85 HG2 GLN 85 7.491 7.831 3.235 692 HG3 GLN 85 HG1 GLN 85 5.992 8.680 2.863 693 HE21 GLN 85 HE21 GLN 85 5.365 10.245 4.899 694 HE22 GLN 85 HE22 GLN 85 6.647 11.229 5.418 695 H ALA 86 HN ALA 86 6.001 5.423 5.978 696 HA ALA 86 HA ALA 86 3.875 3.441 6.312 697 HB1 ALA 86 HB1 ALA 86 5.372 3.585 8.712 698 HB2 ALA 86 HB2 ALA 86 6.519 3.962 7.429 699 HB3 ALA 86 HB3 ALA 86 5.622 2.447 7.388 700 H ASP 87 HN ASP 87 4.171 6.703 6.940 701 HA ASP 87 HA ASP 87 2.574 6.723 9.418 702 HB2 ASP 87 HB2 ASP 87 4.388 8.436 8.832 703 HB3 ASP 87 HB1 ASP 87 3.256 9.071 7.639 704 H ALA 88 HN ALA 88 1.932 5.929 6.447 705 HA ALA 88 HA ALA 88 -0.573 7.492 6.084 706 HB1 ALA 88 HB1 ALA 88 -0.640 6.467 3.869 707 HB2 ALA 88 HB2 ALA 88 0.708 5.412 4.290 708 HB3 ALA 88 HB3 ALA 88 0.961 7.151 4.151 709 H LYS 89 HN LYS 89 -2.326 6.653 7.111 710 HA LYS 89 HA LYS 89 -2.517 3.711 7.546 711 HB2 LYS 89 HB2 LYS 89 -3.858 6.135 8.740 712 HB3 LYS 89 HB1 LYS 89 -4.683 4.596 8.800 713 HG2 LYS 89 HG2 LYS 89 -3.362 4.919 10.843 714 HG3 LYS 89 HG1 LYS 89 -2.745 3.562 9.909 715 HD2 LYS 89 HD2 LYS 89 -0.903 4.989 10.724 716 HD3 LYS 89 HD1 LYS 89 -0.978 4.989 8.965 717 HE2 LYS 89 HE2 LYS 89 -0.703 7.269 10.211 718 HE3 LYS 89 HE1 LYS 89 -1.848 7.166 8.876 719 HZ1 LYS 89 HZ1 LYS 89 -2.702 6.631 11.648 720 HZ2 LYS 89 HZ2 LYS 89 -3.646 7.091 10.312 721 HZ3 LYS 89 HZ3 LYS 89 -2.619 8.219 11.059 722 H LEU 90 HN LEU 90 -3.234 2.841 5.592 723 HA LEU 90 HA LEU 90 -5.200 4.272 3.979 724 HB2 LEU 90 HB2 LEU 90 -4.025 1.500 3.728 725 HB3 LEU 90 HB1 LEU 90 -5.061 2.267 2.529 726 HG LEU 90 HG LEU 90 -2.430 3.401 3.506 727 HD11 LEU 90 HD11 LEU 90 -3.111 1.996 0.906 728 HD12 LEU 90 HD12 LEU 90 -2.123 1.327 2.204 729 HD13 LEU 90 HD13 LEU 90 -1.556 2.730 1.298 730 HD21 LEU 90 HD21 LEU 90 -4.563 4.357 1.633 731 HD22 LEU 90 HD22 LEU 90 -2.890 4.687 1.190 732 HD23 LEU 90 HD23 LEU 90 -3.528 5.279 2.721 733 H GLN 91 HN GLN 91 -7.017 2.969 3.157 734 HA GLN 91 HA GLN 91 -8.371 1.350 5.180 735 HB2 GLN 91 HB2 GLN 91 -9.966 3.355 3.678 736 HB3 GLN 91 HB1 GLN 91 -10.364 2.508 5.141 737 HG2 GLN 91 HG2 GLN 91 -8.967 3.844 6.475 738 HG3 GLN 91 HG1 GLN 91 -8.073 4.463 5.108 739 HE21 GLN 91 HE21 GLN 91 -8.985 6.195 3.902 740 HE22 GLN 91 HE22 GLN 91 -10.376 7.027 4.397 741 H PHE 92 HN PHE 92 -10.321 0.357 4.038 742 HA PHE 92 HA PHE 92 -9.753 -0.234 1.184 743 HB2 PHE 92 HB2 PHE 92 -9.190 -2.113 2.867 744 HB3 PHE 92 HB1 PHE 92 -10.905 -2.253 3.060 745 HD1 PHE 92 HD1 PHE 92 -12.365 -2.968 1.224 746 HD2 PHE 92 HD2 PHE 92 -8.110 -2.766 0.821 747 HE1 PHE 92 HE1 PHE 92 -12.499 -4.357 -0.824 748 HE2 PHE 92 HE2 PHE 92 -8.230 -4.148 -1.240 749 HZ PHE 92 HZ PHE 92 -10.430 -4.948 -2.059 750 H THR 93 HN THR 93 -11.640 -0.513 -0.002 751 HA THR 93 HA THR 93 -14.237 -0.386 1.270 752 HB THR 93 HB THR 93 -13.757 1.877 1.678 753 HG1 THR 93 HG1 THR 93 -15.037 2.946 -0.046 754 HG21 THR 93 HG21 THR 93 -12.984 3.359 -0.253 755 HG22 THR 93 HG22 THR 93 -12.630 1.869 -1.114 756 HG23 THR 93 HG23 THR 93 -11.800 2.228 0.400 757 HA PRO 94 HA PRO 94 -15.273 -2.131 -2.656 758 HB2 PRO 94 HB2 PRO 94 -17.980 -1.667 -2.766 759 HB3 PRO 94 HB1 PRO 94 -17.245 -2.892 -1.713 760 HG2 PRO 94 HG2 PRO 94 -18.154 -0.126 -1.037 761 HG3 PRO 94 HG1 PRO 94 -18.372 -1.635 -0.130 762 HD2 PRO 94 HD2 PRO 94 -16.448 0.170 0.527 763 HD3 PRO 94 HD1 PRO 94 -16.215 -1.577 0.751 Start of MODEL 18 1 H MET 1 HT1 MET 1 38.984 -1.236 -3.001 2 HA MET 1 HA MET 1 37.835 -0.112 -1.291 3 HB2 MET 1 HB2 MET 1 36.028 -2.080 -2.722 4 HB3 MET 1 HB1 MET 1 35.481 -0.605 -1.922 5 HG2 MET 1 HG2 MET 1 36.638 0.787 -3.451 6 HG3 MET 1 HG1 MET 1 37.626 -0.544 -4.044 7 HE1 MET 1 HE1 MET 1 33.433 0.713 -5.246 8 HE2 MET 1 HE2 MET 1 34.794 1.697 -4.712 9 HE3 MET 1 HE3 MET 1 33.960 0.659 -3.558 10 H ALA 2 HN ALA 2 35.400 -0.967 -0.111 11 HA ALA 2 HA ALA 2 35.780 -3.338 1.486 12 HB1 ALA 2 HB1 ALA 2 35.941 -2.004 3.665 13 HB2 ALA 2 HB2 ALA 2 36.435 -0.639 2.663 14 HB3 ALA 2 HB3 ALA 2 37.417 -2.103 2.704 15 H LEU 3 HN LEU 3 34.538 -0.645 3.083 16 HA LEU 3 HA LEU 3 31.876 -1.681 3.181 17 HB2 LEU 3 HB2 LEU 3 32.933 1.101 3.755 18 HB3 LEU 3 HB1 LEU 3 31.321 0.539 4.182 19 HG LEU 3 HG LEU 3 33.870 -0.808 5.114 20 HD11 LEU 3 HD11 LEU 3 33.403 0.312 7.296 21 HD12 LEU 3 HD12 LEU 3 32.127 1.243 6.510 22 HD13 LEU 3 HD13 LEU 3 33.806 1.454 6.013 23 HD21 LEU 3 HD21 LEU 3 32.151 -2.383 5.359 24 HD22 LEU 3 HD22 LEU 3 30.928 -1.157 5.687 25 HD23 LEU 3 HD23 LEU 3 32.112 -1.576 6.923 26 H ASP 4 HN ASP 4 32.041 1.640 2.299 27 HA ASP 4 HA ASP 4 31.025 2.840 0.578 28 HB2 ASP 4 HB2 ASP 4 32.839 2.225 -0.772 29 HB3 ASP 4 HB1 ASP 4 32.375 0.533 -0.761 30 H GLY 5 HN GLY 5 29.790 0.012 1.699 31 HA2 GLY 5 HA2 GLY 5 27.848 -0.831 -0.149 32 HA3 GLY 5 HA1 GLY 5 27.631 -0.872 1.605 33 H ILE 6 HN ILE 6 28.142 2.097 1.605 34 HA ILE 6 HA ILE 6 25.581 3.122 1.885 35 HB ILE 6 HB ILE 6 27.943 4.611 0.723 36 HG12 ILE 6 HG12 ILE 6 27.187 4.052 3.610 37 HG13 ILE 6 HG11 ILE 6 28.573 3.377 2.760 38 HG21 ILE 6 HG21 ILE 6 25.790 5.839 0.659 39 HG22 ILE 6 HG22 ILE 6 26.901 6.572 1.807 40 HG23 ILE 6 HG23 ILE 6 25.583 5.554 2.385 41 HD11 ILE 6 HD11 ILE 6 28.099 6.251 3.552 42 HD12 ILE 6 HD12 ILE 6 29.299 5.802 2.340 43 HD13 ILE 6 HD13 ILE 6 29.449 5.206 3.994 44 H ARG 7 HN ARG 7 27.185 2.244 -1.017 45 HA ARG 7 HA ARG 7 25.773 3.914 -2.859 46 HB2 ARG 7 HB2 ARG 7 27.785 2.721 -3.545 47 HB3 ARG 7 HB1 ARG 7 27.029 1.178 -3.192 48 HG2 ARG 7 HG2 ARG 7 27.042 1.750 -5.636 49 HG3 ARG 7 HG1 ARG 7 25.428 1.470 -4.989 50 HD2 ARG 7 HD2 ARG 7 24.867 3.739 -5.057 51 HD3 ARG 7 HD1 ARG 7 26.551 4.255 -5.011 52 HE ARG 7 HE ARG 7 26.094 2.801 -7.429 53 HH11 ARG 7 HH21 ARG 7 25.327 5.744 -5.804 54 HH12 ARG 7 HH22 ARG 7 25.145 6.658 -7.264 55 HH21 ARG 7 HH11 ARG 7 25.862 3.978 -9.345 56 HH22 ARG 7 HH12 ARG 7 25.448 5.658 -9.269 57 H MET 8 HN MET 8 25.230 0.618 -1.750 58 HA MET 8 HA MET 8 22.399 0.779 -2.721 59 HB2 MET 8 HB2 MET 8 22.562 -1.472 -3.382 60 HB3 MET 8 HB1 MET 8 24.155 -0.855 -3.752 61 HG2 MET 8 HG2 MET 8 24.999 -1.690 -1.586 62 HG3 MET 8 HG1 MET 8 23.416 -2.376 -1.247 63 HE1 MET 8 HE1 MET 8 23.036 -5.430 -3.245 64 HE2 MET 8 HE2 MET 8 22.179 -3.892 -3.235 65 HE3 MET 8 HE3 MET 8 22.758 -4.578 -1.720 66 HA PRO 9 HA PRO 9 20.803 -0.075 1.311 67 HB2 PRO 9 HB2 PRO 9 20.175 -2.938 0.666 68 HB3 PRO 9 HB1 PRO 9 19.114 -1.669 1.314 69 HG2 PRO 9 HG2 PRO 9 18.882 -2.369 -1.202 70 HG3 PRO 9 HG1 PRO 9 18.867 -0.647 -0.766 71 HD2 PRO 9 HD2 PRO 9 21.130 -2.271 -1.889 72 HD3 PRO 9 HD1 PRO 9 20.575 -0.647 -2.379 73 H ASP 10 HN ASP 10 23.548 -1.420 0.263 74 HA ASP 10 HA ASP 10 24.071 -3.247 2.523 75 HB2 ASP 10 HB2 ASP 10 25.089 -3.605 0.248 76 HB3 ASP 10 HB1 ASP 10 26.012 -2.123 0.481 77 H GLY 11 HN GLY 11 23.402 -0.299 2.643 78 HA2 GLY 11 HA2 GLY 11 24.535 0.540 4.971 79 HA3 GLY 11 HA1 GLY 11 25.772 0.981 3.789 80 H CYS 12 HN CYS 12 23.475 1.220 1.789 81 HA CYS 12 HA CYS 12 23.141 4.050 1.903 82 HB2 CYS 12 HB2 CYS 12 22.913 2.720 -0.179 83 HB3 CYS 12 HB1 CYS 12 21.444 1.991 0.455 84 HG CYS 12 HG CYS 12 20.181 4.026 -0.177 85 H TYR 13 HN TYR 13 21.205 1.380 3.146 86 HA TYR 13 HA TYR 13 19.671 3.283 4.792 87 HB2 TYR 13 HB2 TYR 13 18.613 2.542 2.348 88 HB3 TYR 13 HB1 TYR 13 17.900 1.332 3.404 89 HD1 TYR 13 HD1 TYR 13 17.672 2.973 5.946 90 HD2 TYR 13 HD2 TYR 13 16.761 3.935 1.857 91 HE1 TYR 13 HE1 TYR 13 16.009 4.641 6.708 92 HE2 TYR 13 HE2 TYR 13 15.097 5.605 2.624 93 HH TYR 13 HH TYR 13 13.677 5.948 4.732 94 H ALA 14 HN ALA 14 17.660 1.180 5.356 95 HA ALA 14 HA ALA 14 19.382 -0.660 6.987 96 HB1 ALA 14 HB1 ALA 14 16.627 0.492 7.460 97 HB2 ALA 14 HB2 ALA 14 18.072 0.699 8.449 98 HB3 ALA 14 HB3 ALA 14 17.260 -0.865 8.391 99 H ASP 15 HN ASP 15 16.053 -1.362 6.888 100 HA ASP 15 HA ASP 15 16.529 -3.933 5.650 101 HB2 ASP 15 HB2 ASP 15 14.720 -3.305 7.394 102 HB3 ASP 15 HB1 ASP 15 13.805 -2.674 6.025 103 H GLY 16 HN GLY 16 16.138 -0.859 4.383 104 HA2 GLY 16 HA2 GLY 16 15.671 -0.059 2.226 105 HA3 GLY 16 HA1 GLY 16 16.261 -1.631 1.688 106 H THR 17 HN THR 17 13.651 -1.991 3.794 107 HA THR 17 HA THR 17 11.583 -1.778 1.687 108 HB THR 17 HB THR 17 10.888 -4.175 2.081 109 HG1 THR 17 HG1 THR 17 13.231 -4.024 3.600 110 HG21 THR 17 HG21 THR 17 13.717 -4.107 1.059 111 HG22 THR 17 HG22 THR 17 12.427 -3.303 0.169 112 HG23 THR 17 HG23 THR 17 12.348 -5.039 0.459 113 H TRP 18 HN TRP 18 9.384 -2.630 2.701 114 HA TRP 18 HA TRP 18 9.260 -2.505 5.614 115 HB2 TRP 18 HB2 TRP 18 7.691 -0.393 5.450 116 HB3 TRP 18 HB1 TRP 18 9.432 -0.189 5.542 117 HD1 TRP 18 HD1 TRP 18 10.526 1.172 3.710 118 HE1 TRP 18 HE1 TRP 18 9.779 2.152 1.434 119 HE3 TRP 18 HE3 TRP 18 5.943 -1.066 3.197 120 HZ2 TRP 18 HZ2 TRP 18 7.574 2.045 -0.309 121 HZ3 TRP 18 HZ3 TRP 18 4.571 -0.605 1.172 122 HH2 TRP 18 HH2 TRP 18 5.380 0.943 -0.564 123 H GLU 19 HN GLU 19 6.602 -1.784 5.992 124 HA GLU 19 HA GLU 19 5.074 -3.575 4.179 125 HB2 GLU 19 HB2 GLU 19 3.803 -4.401 6.083 126 HB3 GLU 19 HB1 GLU 19 5.509 -4.734 6.336 127 HG2 GLU 19 HG2 GLU 19 3.981 -2.403 7.525 128 HG3 GLU 19 HG1 GLU 19 4.451 -3.862 8.391 129 H LEU 20 HN LEU 20 2.691 -3.205 4.923 130 HA LEU 20 HA LEU 20 2.082 -0.314 5.227 131 HB2 LEU 20 HB2 LEU 20 1.968 -1.843 2.777 132 HB3 LEU 20 HB1 LEU 20 0.324 -1.395 3.231 133 HG LEU 20 HG LEU 20 1.393 0.286 1.762 134 HD11 LEU 20 HD11 LEU 20 0.520 2.136 2.880 135 HD12 LEU 20 HD12 LEU 20 1.114 1.608 4.450 136 HD13 LEU 20 HD13 LEU 20 -0.281 0.811 3.723 137 HD21 LEU 20 HD21 LEU 20 3.405 1.278 2.188 138 HD22 LEU 20 HD22 LEU 20 3.681 -0.182 3.120 139 HD23 LEU 20 HD23 LEU 20 3.169 1.286 3.935 140 H SER 21 HN SER 21 -0.113 0.058 5.883 141 HA SER 21 HA SER 21 -1.539 -2.325 6.954 142 HB2 SER 21 HB2 SER 21 -2.402 -0.541 8.669 143 HB3 SER 21 HB1 SER 21 -0.810 -1.251 8.882 144 HG SER 21 HG SER 21 -1.533 1.318 8.266 145 H VAL 22 HN VAL 22 -3.542 -2.562 6.338 146 HA VAL 22 HA VAL 22 -4.927 -0.289 4.982 147 HB VAL 22 HB VAL 22 -4.722 -3.188 4.244 148 HG11 VAL 22 HG11 VAL 22 -7.213 -1.509 3.829 149 HG12 VAL 22 HG12 VAL 22 -7.126 -3.065 4.657 150 HG13 VAL 22 HG13 VAL 22 -6.862 -2.971 2.920 151 HG21 VAL 22 HG21 VAL 22 -5.096 -0.603 2.700 152 HG22 VAL 22 HG22 VAL 22 -4.825 -2.185 1.979 153 HG23 VAL 22 HG23 VAL 22 -3.563 -1.439 2.962 154 H HIS 23 HN HIS 23 -7.140 -0.282 5.190 155 HA HIS 23 HA HIS 23 -8.337 -1.502 7.623 156 HB2 HIS 23 HB2 HIS 23 -7.376 1.127 7.497 157 HB3 HIS 23 HB1 HIS 23 -9.096 1.331 7.239 158 HD1 HIS 23 HD1 HIS 23 -6.587 0.565 9.847 159 HD2 HIS 23 HD2 HIS 23 -10.726 0.278 9.437 160 HE1 HIS 23 HE1 HIS 23 -7.516 0.220 12.178 161 H VAL 24 HN VAL 24 -10.326 -2.323 7.083 162 HA VAL 24 HA VAL 24 -11.578 -1.406 4.587 163 HB VAL 24 HB VAL 24 -12.743 -3.531 6.350 164 HG11 VAL 24 HG11 VAL 24 -12.550 -3.223 3.335 165 HG12 VAL 24 HG12 VAL 24 -13.941 -2.781 4.307 166 HG13 VAL 24 HG13 VAL 24 -13.444 -4.468 4.192 167 HG21 VAL 24 HG21 VAL 24 -11.259 -5.127 4.959 168 HG22 VAL 24 HG22 VAL 24 -10.492 -4.260 6.286 169 HG23 VAL 24 HG23 VAL 24 -10.266 -3.706 4.628 170 H THR 25 HN THR 25 -12.922 0.286 4.668 171 HA THR 25 HA THR 25 -14.095 1.104 7.225 172 HB THR 25 HB THR 25 -15.031 2.976 5.760 173 HG1 THR 25 HG1 THR 25 -13.557 1.448 3.917 174 HG21 THR 25 HG21 THR 25 -12.831 4.059 5.557 175 HG22 THR 25 HG22 THR 25 -12.039 2.495 5.754 176 HG23 THR 25 HG23 THR 25 -12.960 3.191 7.088 177 H ASP 26 HN ASP 26 -15.577 0.587 3.992 178 HA ASP 26 HA ASP 26 -18.243 0.507 5.002 179 HB2 ASP 26 HB2 ASP 26 -17.434 0.802 2.569 180 HB3 ASP 26 HB1 ASP 26 -17.362 -0.959 2.514 181 H VAL 27 HN VAL 27 -16.058 -1.519 6.085 182 HA VAL 27 HA VAL 27 -17.989 -3.784 6.286 183 HB VAL 27 HB VAL 27 -15.044 -4.208 5.792 184 HG11 VAL 27 HG11 VAL 27 -16.507 -5.943 6.995 185 HG12 VAL 27 HG12 VAL 27 -15.630 -6.507 5.574 186 HG13 VAL 27 HG13 VAL 27 -17.349 -6.134 5.458 187 HG21 VAL 27 HG21 VAL 27 -15.647 -4.840 3.494 188 HG22 VAL 27 HG22 VAL 27 -16.125 -3.172 3.793 189 HG23 VAL 27 HG23 VAL 27 -17.335 -4.451 3.816 190 H ASN 28 HN ASN 28 -15.372 -1.900 7.603 191 HA ASN 28 HA ASN 28 -14.843 -1.471 9.816 192 HB2 ASN 28 HB2 ASN 28 -17.341 -2.252 9.979 193 HB3 ASN 28 HB1 ASN 28 -16.633 -3.652 10.770 194 HD21 ASN 28 HD21 ASN 28 -14.766 -2.830 12.460 195 HD22 ASN 28 HD22 ASN 28 -15.287 -1.594 13.500 196 H ARG 29 HN ARG 29 -13.745 -3.819 8.152 197 HA ARG 29 HA ARG 29 -12.432 -5.282 10.441 198 HB2 ARG 29 HB2 ARG 29 -11.923 -6.383 7.733 199 HB3 ARG 29 HB1 ARG 29 -12.408 -7.212 9.213 200 HG2 ARG 29 HG2 ARG 29 -14.739 -6.360 8.862 201 HG3 ARG 29 HG1 ARG 29 -14.206 -5.698 7.319 202 HD2 ARG 29 HD2 ARG 29 -13.874 -7.820 6.369 203 HD3 ARG 29 HD1 ARG 29 -13.730 -8.611 7.937 204 HE ARG 29 HE ARG 29 -16.352 -7.565 7.775 205 HH11 ARG 29 HH21 ARG 29 -14.290 -9.853 6.226 206 HH12 ARG 29 HH22 ARG 29 -15.583 -10.912 5.774 207 HH21 ARG 29 HH11 ARG 29 -18.053 -8.936 7.192 208 HH22 ARG 29 HH12 ARG 29 -17.713 -10.393 6.320 209 H ASP 30 HN ASP 30 -10.051 -5.974 9.449 210 HA ASP 30 HA ASP 30 -8.929 -3.734 7.913 211 HB2 ASP 30 HB2 ASP 30 -7.276 -4.159 10.310 212 HB3 ASP 30 HB1 ASP 30 -7.867 -2.657 9.603 213 H VAL 31 HN VAL 31 -6.986 -4.225 6.960 214 HA VAL 31 HA VAL 31 -5.774 -6.881 7.448 215 HB VAL 31 HB VAL 31 -6.512 -5.968 4.653 216 HG11 VAL 31 HG11 VAL 31 -4.755 -7.677 4.893 217 HG12 VAL 31 HG12 VAL 31 -6.206 -8.374 4.172 218 HG13 VAL 31 HG13 VAL 31 -5.841 -8.660 5.874 219 HG21 VAL 31 HG21 VAL 31 -8.629 -6.180 5.806 220 HG22 VAL 31 HG22 VAL 31 -8.117 -7.684 6.572 221 HG23 VAL 31 HG23 VAL 31 -8.405 -7.635 4.833 222 H THR 32 HN THR 32 -3.547 -6.861 6.396 223 HA THR 32 HA THR 32 -2.619 -4.079 5.791 224 HB THR 32 HB THR 32 -0.619 -4.510 7.107 225 HG1 THR 32 HG1 THR 32 -1.445 -6.676 8.436 226 HG21 THR 32 HG21 THR 32 -1.567 -4.138 9.199 227 HG22 THR 32 HG22 THR 32 -2.854 -5.312 8.930 228 HG23 THR 32 HG23 THR 32 -2.917 -3.739 8.136 229 H LEU 33 HN LEU 33 -0.941 -3.899 4.334 230 HA LEU 33 HA LEU 33 -0.546 -6.295 2.618 231 HB2 LEU 33 HB2 LEU 33 -0.295 -3.336 2.165 232 HB3 LEU 33 HB1 LEU 33 0.587 -4.439 1.124 233 HG LEU 33 HG LEU 33 -1.581 -3.798 0.175 234 HD11 LEU 33 HD11 LEU 33 -2.020 -5.868 -0.699 235 HD12 LEU 33 HD12 LEU 33 -1.973 -6.677 0.859 236 HD13 LEU 33 HD13 LEU 33 -0.471 -6.224 0.055 237 HD21 LEU 33 HD21 LEU 33 -3.120 -5.429 2.120 238 HD22 LEU 33 HD22 LEU 33 -3.574 -3.964 1.257 239 HD23 LEU 33 HD23 LEU 33 -2.579 -3.852 2.698 240 H ARG 34 HN ARG 34 1.410 -7.089 2.252 241 HA ARG 34 HA ARG 34 3.712 -5.974 3.811 242 HB2 ARG 34 HB2 ARG 34 2.695 -8.548 3.744 243 HB3 ARG 34 HB1 ARG 34 4.005 -8.636 2.576 244 HG2 ARG 34 HG2 ARG 34 4.409 -7.412 5.317 245 HG3 ARG 34 HG1 ARG 34 4.569 -9.112 5.019 246 HD2 ARG 34 HD2 ARG 34 6.250 -8.648 3.244 247 HD3 ARG 34 HD1 ARG 34 6.141 -6.936 3.654 248 HE ARG 34 HE ARG 34 6.777 -8.650 5.938 249 HH11 ARG 34 HH21 ARG 34 7.918 -6.833 3.240 250 HH12 ARG 34 HH22 ARG 34 9.501 -6.594 3.901 251 HH21 ARG 34 HH11 ARG 34 8.835 -8.344 6.820 252 HH22 ARG 34 HH12 ARG 34 10.020 -7.449 5.929 253 H VAL 35 HN VAL 35 4.347 -4.405 2.239 254 HA VAL 35 HA VAL 35 5.509 -5.535 -0.242 255 HB VAL 35 HB VAL 35 4.329 -3.843 -1.616 256 HG11 VAL 35 HG11 VAL 35 2.286 -5.052 -1.814 257 HG12 VAL 35 HG12 VAL 35 2.324 -5.533 -0.119 258 HG13 VAL 35 HG13 VAL 35 3.485 -6.217 -1.259 259 HG21 VAL 35 HG21 VAL 35 3.216 -3.104 1.064 260 HG22 VAL 35 HG22 VAL 35 2.099 -3.040 -0.294 261 HG23 VAL 35 HG23 VAL 35 3.575 -2.081 -0.324 262 H THR 36 HN THR 36 6.095 -3.343 -1.622 263 HA THR 36 HA THR 36 7.511 -1.470 0.224 264 HB THR 36 HB THR 36 9.487 -1.625 -1.342 265 HG1 THR 36 HG1 THR 36 9.033 -4.124 -2.129 266 HG21 THR 36 HG21 THR 36 10.241 -3.843 -0.356 267 HG22 THR 36 HG22 THR 36 8.617 -4.009 0.305 268 HG23 THR 36 HG23 THR 36 9.639 -2.666 0.809 269 H GLY 37 HN GLY 37 8.561 0.274 -1.267 270 HA2 GLY 37 HA2 GLY 37 6.532 1.762 -2.504 271 HA3 GLY 37 HA1 GLY 37 8.245 2.044 -2.736 272 H GLU 38 HN GLU 38 7.408 -1.100 -3.628 273 HA GLU 38 HA GLU 38 7.580 -0.339 -6.508 274 HB2 GLU 38 HB2 GLU 38 8.548 -2.499 -6.838 275 HB3 GLU 38 HB1 GLU 38 9.266 -1.844 -5.369 276 HG2 GLU 38 HG2 GLU 38 8.703 -3.974 -4.621 277 HG3 GLU 38 HG1 GLU 38 7.253 -3.070 -4.171 278 H VAL 39 HN VAL 39 5.315 -1.680 -4.243 279 HA VAL 39 HA VAL 39 3.951 -3.360 -6.171 280 HB VAL 39 HB VAL 39 3.690 -3.857 -3.840 281 HG11 VAL 39 HG11 VAL 39 3.963 -1.815 -2.719 282 HG12 VAL 39 HG12 VAL 39 2.272 -2.201 -2.446 283 HG13 VAL 39 HG13 VAL 39 2.716 -1.013 -3.660 284 HG21 VAL 39 HG21 VAL 39 1.280 -4.037 -3.694 285 HG22 VAL 39 HG22 VAL 39 1.763 -4.282 -5.370 286 HG23 VAL 39 HG23 VAL 39 1.066 -2.744 -4.871 287 H HIS 40 HN HIS 40 2.307 -2.892 -7.533 288 HA HIS 40 HA HIS 40 1.807 -0.123 -8.209 289 HB2 HIS 40 HB2 HIS 40 0.608 -2.749 -9.088 290 HB3 HIS 40 HB1 HIS 40 -0.038 -1.212 -9.652 291 HD1 HIS 40 HD1 HIS 40 0.826 -1.998 -12.079 292 HD2 HIS 40 HD2 HIS 40 3.811 -1.214 -9.278 293 HE1 HIS 40 HE1 HIS 40 2.985 -1.765 -13.381 294 H ILE 41 HN ILE 41 -0.086 1.115 -7.755 295 HA ILE 41 HA ILE 41 -1.439 0.562 -5.305 296 HB ILE 41 HB ILE 41 -2.577 2.092 -7.642 297 HG12 ILE 41 HG12 ILE 41 -0.701 3.057 -5.467 298 HG13 ILE 41 HG11 ILE 41 -0.233 2.793 -7.143 299 HG21 ILE 41 HG21 ILE 41 -3.929 1.510 -5.466 300 HG22 ILE 41 HG22 ILE 41 -3.964 3.152 -6.099 301 HG23 ILE 41 HG23 ILE 41 -2.924 2.760 -4.728 302 HD11 ILE 41 HD11 ILE 41 -1.221 5.165 -6.084 303 HD12 ILE 41 HD12 ILE 41 -2.603 4.497 -6.947 304 HD13 ILE 41 HD13 ILE 41 -1.080 4.751 -7.785 305 H GLY 42 HN GLY 42 -2.407 0.127 -8.684 306 HA2 GLY 42 HA2 GLY 42 -4.799 -1.361 -8.117 307 HA3 GLY 42 HA1 GLY 42 -3.919 -1.379 -9.654 308 H GLY 43 HN GLY 43 -1.651 -2.014 -7.369 309 HA2 GLY 43 HA2 GLY 43 -1.929 -4.978 -7.701 310 HA3 GLY 43 HA1 GLY 43 -0.395 -4.126 -7.479 311 H VAL 44 HN VAL 44 -1.622 -2.302 -5.513 312 HA VAL 44 HA VAL 44 -1.011 -3.741 -3.120 313 HB VAL 44 HB VAL 44 -2.182 -1.105 -3.887 314 HG11 VAL 44 HG11 VAL 44 -2.725 -2.397 -1.228 315 HG12 VAL 44 HG12 VAL 44 -3.840 -1.538 -2.282 316 HG13 VAL 44 HG13 VAL 44 -2.621 -0.644 -1.373 317 HG21 VAL 44 HG21 VAL 44 -0.537 -0.340 -2.090 318 HG22 VAL 44 HG22 VAL 44 0.172 -1.136 -3.488 319 HG23 VAL 44 HG23 VAL 44 -0.018 -2.020 -1.975 320 H MET 45 HN MET 45 -3.994 -3.019 -4.873 321 HA MET 45 HA MET 45 -5.760 -4.219 -2.939 322 HB2 MET 45 HB2 MET 45 -6.913 -4.467 -5.562 323 HB3 MET 45 HB1 MET 45 -7.302 -3.292 -4.315 324 HG2 MET 45 HG2 MET 45 -5.565 -1.786 -5.127 325 HG3 MET 45 HG1 MET 45 -5.045 -2.983 -6.310 326 HE1 MET 45 HE1 MET 45 -8.649 -0.208 -6.393 327 HE2 MET 45 HE2 MET 45 -7.102 -0.008 -5.574 328 HE3 MET 45 HE3 MET 45 -8.261 -1.190 -4.974 329 H LEU 46 HN LEU 46 -4.225 -5.461 -5.904 330 HA LEU 46 HA LEU 46 -5.354 -8.085 -5.694 331 HB2 LEU 46 HB2 LEU 46 -2.646 -7.378 -6.855 332 HB3 LEU 46 HB1 LEU 46 -3.639 -8.775 -7.262 333 HG LEU 46 HG LEU 46 -4.486 -5.901 -7.702 334 HD11 LEU 46 HD11 LEU 46 -3.866 -6.123 -9.986 335 HD12 LEU 46 HD12 LEU 46 -3.644 -7.866 -9.841 336 HD13 LEU 46 HD13 LEU 46 -2.489 -6.765 -9.093 337 HD21 LEU 46 HD21 LEU 46 -5.679 -8.600 -8.361 338 HD22 LEU 46 HD22 LEU 46 -6.103 -7.170 -9.300 339 HD23 LEU 46 HD23 LEU 46 -6.439 -7.219 -7.572 340 H LYS 47 HN LYS 47 -2.090 -6.937 -4.816 341 HA LYS 47 HA LYS 47 -1.224 -9.251 -3.530 342 HB2 LYS 47 HB2 LYS 47 0.061 -7.073 -3.900 343 HB3 LYS 47 HB1 LYS 47 -0.735 -6.459 -2.468 344 HG2 LYS 47 HG2 LYS 47 1.218 -7.327 -1.538 345 HG3 LYS 47 HG1 LYS 47 0.103 -8.681 -1.359 346 HD2 LYS 47 HD2 LYS 47 1.901 -9.789 -2.348 347 HD3 LYS 47 HD1 LYS 47 1.023 -9.312 -3.800 348 HE2 LYS 47 HE2 LYS 47 3.117 -8.515 -4.367 349 HE3 LYS 47 HE1 LYS 47 2.519 -7.096 -3.505 350 HZ1 LYS 47 HZ1 LYS 47 4.521 -9.053 -2.712 351 HZ2 LYS 47 HZ2 LYS 47 3.481 -8.509 -1.482 352 HZ3 LYS 47 HZ3 LYS 47 4.421 -7.397 -2.358 353 H LEU 48 HN LEU 48 -3.581 -6.918 -2.554 354 HA LEU 48 HA LEU 48 -3.792 -7.974 0.170 355 HB2 LEU 48 HB2 LEU 48 -4.178 -5.671 0.031 356 HB3 LEU 48 HB1 LEU 48 -5.143 -5.812 -1.406 357 HG LEU 48 HG LEU 48 -6.980 -6.773 -0.133 358 HD11 LEU 48 HD11 LEU 48 -6.838 -7.053 2.298 359 HD12 LEU 48 HD12 LEU 48 -5.176 -6.478 2.290 360 HD13 LEU 48 HD13 LEU 48 -5.577 -8.013 1.539 361 HD21 LEU 48 HD21 LEU 48 -5.899 -4.436 1.430 362 HD22 LEU 48 HD22 LEU 48 -7.585 -4.830 1.095 363 HD23 LEU 48 HD23 LEU 48 -6.531 -4.267 -0.204 364 H VAL 49 HN VAL 49 -5.949 -7.731 -2.691 365 HA VAL 49 HA VAL 49 -7.989 -9.412 -1.621 366 HB VAL 49 HB VAL 49 -7.125 -9.027 -4.508 367 HG11 VAL 49 HG11 VAL 49 -8.468 -11.025 -4.350 368 HG12 VAL 49 HG12 VAL 49 -9.507 -9.740 -4.968 369 HG13 VAL 49 HG13 VAL 49 -9.619 -10.228 -3.277 370 HG21 VAL 49 HG21 VAL 49 -8.627 -7.215 -4.601 371 HG22 VAL 49 HG22 VAL 49 -7.919 -7.018 -2.996 372 HG23 VAL 49 HG23 VAL 49 -9.514 -7.750 -3.174 373 H GLU 50 HN GLU 50 -4.992 -10.070 -3.342 374 HA GLU 50 HA GLU 50 -5.351 -12.895 -3.611 375 HB2 GLU 50 HB2 GLU 50 -2.885 -11.156 -3.398 376 HB3 GLU 50 HB1 GLU 50 -2.811 -12.894 -3.681 377 HG2 GLU 50 HG2 GLU 50 -4.184 -12.649 -5.690 378 HG3 GLU 50 HG1 GLU 50 -4.329 -10.925 -5.403 379 H LYS 51 HN LYS 51 -4.047 -10.833 -1.004 380 HA LYS 51 HA LYS 51 -3.079 -12.931 0.645 381 HB2 LYS 51 HB2 LYS 51 -3.845 -10.090 1.017 382 HB3 LYS 51 HB1 LYS 51 -3.853 -11.058 2.472 383 HG2 LYS 51 HG2 LYS 51 -1.527 -11.779 1.991 384 HG3 LYS 51 HG1 LYS 51 -1.538 -10.789 0.536 385 HD2 LYS 51 HD2 LYS 51 -0.425 -9.606 2.390 386 HD3 LYS 51 HD1 LYS 51 -1.892 -8.768 1.890 387 HE2 LYS 51 HE2 LYS 51 -1.412 -9.207 4.462 388 HE3 LYS 51 HE1 LYS 51 -3.049 -9.345 3.826 389 HZ1 LYS 51 HZ1 LYS 51 -2.646 -11.268 5.100 390 HZ2 LYS 51 HZ2 LYS 51 -1.125 -11.528 4.389 391 HZ3 LYS 51 HZ3 LYS 51 -2.542 -11.762 3.482 392 H LEU 52 HN LEU 52 -6.298 -11.247 0.882 393 HA LEU 52 HA LEU 52 -7.229 -13.207 2.786 394 HB2 LEU 52 HB2 LEU 52 -9.597 -12.384 1.778 395 HB3 LEU 52 HB1 LEU 52 -8.679 -11.433 2.939 396 HG LEU 52 HG LEU 52 -7.968 -11.082 0.061 397 HD11 LEU 52 HD11 LEU 52 -9.798 -9.329 -0.113 398 HD12 LEU 52 HD12 LEU 52 -10.537 -10.081 1.301 399 HD13 LEU 52 HD13 LEU 52 -10.347 -11.003 -0.190 400 HD21 LEU 52 HD21 LEU 52 -8.377 -9.144 2.353 401 HD22 LEU 52 HD22 LEU 52 -7.631 -8.782 0.801 402 HD23 LEU 52 HD23 LEU 52 -6.836 -9.885 1.926 403 H ASP 53 HN ASP 53 -9.268 -12.968 -0.014 404 HA ASP 53 HA ASP 53 -8.424 -15.625 -1.021 405 HB2 ASP 53 HB2 ASP 53 -11.308 -15.167 -0.229 406 HB3 ASP 53 HB1 ASP 53 -10.525 -16.686 -0.668 407 H VAL 54 HN VAL 54 -9.903 -16.208 -2.962 408 HA VAL 54 HA VAL 54 -10.089 -13.799 -4.662 409 HB VAL 54 HB VAL 54 -8.988 -15.758 -5.601 410 HG11 VAL 54 HG11 VAL 54 -9.905 -17.901 -5.703 411 HG12 VAL 54 HG12 VAL 54 -11.564 -17.320 -5.598 412 HG13 VAL 54 HG13 VAL 54 -10.546 -17.345 -4.160 413 HG21 VAL 54 HG21 VAL 54 -10.186 -15.878 -7.690 414 HG22 VAL 54 HG22 VAL 54 -10.426 -14.255 -7.043 415 HG23 VAL 54 HG23 VAL 54 -11.708 -15.458 -6.904 416 H LYS 55 HN LYS 55 -11.964 -12.686 -4.290 417 HA LYS 55 HA LYS 55 -14.468 -13.777 -5.186 418 HB2 LYS 55 HB2 LYS 55 -14.390 -14.935 -2.997 419 HB3 LYS 55 HB1 LYS 55 -14.194 -13.379 -2.188 420 HG2 LYS 55 HG2 LYS 55 -16.367 -12.642 -2.886 421 HG3 LYS 55 HG1 LYS 55 -16.542 -14.006 -3.991 422 HD2 LYS 55 HD2 LYS 55 -16.509 -15.561 -2.062 423 HD3 LYS 55 HD1 LYS 55 -16.379 -14.183 -0.968 424 HE2 LYS 55 HE2 LYS 55 -18.703 -14.763 -1.039 425 HE3 LYS 55 HE1 LYS 55 -18.527 -13.303 -2.012 426 HZ1 LYS 55 HZ1 LYS 55 -18.180 -14.993 -3.923 427 HZ2 LYS 55 HZ2 LYS 55 -19.755 -14.649 -3.386 428 HZ3 LYS 55 HZ3 LYS 55 -18.976 -16.074 -2.887 429 H LYS 56 HN LYS 56 -12.753 -11.339 -3.301 430 HA LYS 56 HA LYS 56 -14.851 -9.334 -3.661 431 HB2 LYS 56 HB2 LYS 56 -12.418 -9.617 -2.115 432 HB3 LYS 56 HB1 LYS 56 -12.349 -8.090 -2.974 433 HG2 LYS 56 HG2 LYS 56 -13.419 -7.581 -0.916 434 HG3 LYS 56 HG1 LYS 56 -14.727 -7.656 -2.092 435 HD2 LYS 56 HD2 LYS 56 -15.603 -8.978 -0.379 436 HD3 LYS 56 HD1 LYS 56 -14.830 -10.205 -1.381 437 HE2 LYS 56 HE2 LYS 56 -13.956 -10.779 0.696 438 HE3 LYS 56 HE1 LYS 56 -12.724 -9.630 0.172 439 HZ1 LYS 56 HZ1 LYS 56 -13.272 -8.254 1.801 440 HZ2 LYS 56 HZ2 LYS 56 -14.268 -9.474 2.438 441 HZ3 LYS 56 HZ3 LYS 56 -14.918 -8.301 1.395 442 H ASP 57 HN ASP 57 -14.265 -7.222 -4.742 443 HA ASP 57 HA ASP 57 -13.352 -7.829 -7.463 444 HB2 ASP 57 HB2 ASP 57 -14.142 -5.114 -6.435 445 HB3 ASP 57 HB1 ASP 57 -14.298 -5.764 -8.065 446 H TRP 58 HN TRP 58 -11.660 -6.675 -8.520 447 HA TRP 58 HA TRP 58 -9.414 -5.989 -6.746 448 HB2 TRP 58 HB2 TRP 58 -9.536 -6.119 -9.770 449 HB3 TRP 58 HB1 TRP 58 -8.088 -6.077 -8.774 450 HD1 TRP 58 HD1 TRP 58 -8.369 -8.195 -6.703 451 HE1 TRP 58 HE1 TRP 58 -8.741 -10.686 -7.245 452 HE3 TRP 58 HE3 TRP 58 -10.241 -7.796 -11.436 453 HZ2 TRP 58 HZ2 TRP 58 -9.709 -12.298 -9.400 454 HZ3 TRP 58 HZ3 TRP 58 -10.882 -9.823 -12.709 455 HH2 TRP 58 HH2 TRP 58 -10.618 -12.072 -11.698 456 H SER 59 HN SER 59 -10.306 -4.496 -9.843 457 HA SER 59 HA SER 59 -9.401 -1.897 -8.961 458 HB2 SER 59 HB2 SER 59 -10.205 -1.123 -11.152 459 HB3 SER 59 HB1 SER 59 -9.281 -2.613 -11.318 460 HG SER 59 HG SER 59 -11.254 -2.681 -12.483 461 H ASP 60 HN ASP 60 -12.674 -3.210 -9.635 462 HA ASP 60 HA ASP 60 -14.209 -0.938 -9.214 463 HB2 ASP 60 HB2 ASP 60 -14.971 -3.375 -9.670 464 HB3 ASP 60 HB1 ASP 60 -14.994 -3.546 -7.917 465 H HIS 61 HN HIS 61 -12.426 -2.766 -6.800 466 HA HIS 61 HA HIS 61 -13.672 -1.377 -4.557 467 HB2 HIS 61 HB2 HIS 61 -11.285 -3.218 -4.779 468 HB3 HIS 61 HB1 HIS 61 -11.801 -2.477 -3.271 469 HD1 HIS 61 HD1 HIS 61 -14.900 -2.823 -4.671 470 HD2 HIS 61 HD2 HIS 61 -12.199 -5.693 -3.309 471 HE1 HIS 61 HE1 HIS 61 -16.252 -4.908 -4.189 472 H ALA 62 HN ALA 62 -11.897 -0.355 -2.954 473 HA ALA 62 HA ALA 62 -9.784 1.105 -4.395 474 HB1 ALA 62 HB1 ALA 62 -10.780 3.339 -3.724 475 HB2 ALA 62 HB2 ALA 62 -12.281 2.475 -3.385 476 HB3 ALA 62 HB3 ALA 62 -11.629 2.503 -5.025 477 H LEU 63 HN LEU 63 -8.446 2.372 -2.942 478 HA LEU 63 HA LEU 63 -8.637 1.462 -0.118 479 HB2 LEU 63 HB2 LEU 63 -6.332 2.766 -1.564 480 HB3 LEU 63 HB1 LEU 63 -6.286 2.072 0.046 481 HG LEU 63 HG LEU 63 -5.304 0.471 -1.382 482 HD11 LEU 63 HD11 LEU 63 -7.118 -0.289 0.258 483 HD12 LEU 63 HD12 LEU 63 -6.599 -1.432 -0.984 484 HD13 LEU 63 HD13 LEU 63 -8.116 -0.553 -1.177 485 HD21 LEU 63 HD21 LEU 63 -6.523 1.533 -3.488 486 HD22 LEU 63 HD22 LEU 63 -7.678 0.233 -3.201 487 HD23 LEU 63 HD23 LEU 63 -5.985 -0.148 -3.514 488 H TRP 64 HN TRP 64 -9.542 2.953 1.287 489 HA TRP 64 HA TRP 64 -9.445 5.804 0.507 490 HB2 TRP 64 HB2 TRP 64 -11.191 4.220 2.057 491 HB3 TRP 64 HB1 TRP 64 -10.412 5.255 3.225 492 HD1 TRP 64 HD1 TRP 64 -11.560 6.107 -0.386 493 HE1 TRP 64 HE1 TRP 64 -13.140 8.135 -0.255 494 HE3 TRP 64 HE3 TRP 64 -11.774 6.739 4.680 495 HZ2 TRP 64 HZ2 TRP 64 -14.343 9.803 1.729 496 HZ3 TRP 64 HZ3 TRP 64 -13.149 8.553 5.661 497 HH2 TRP 64 HH2 TRP 64 -14.432 10.084 4.193 498 H TRP 65 HN TRP 65 -7.518 6.864 0.932 499 HA TRP 65 HA TRP 65 -5.787 5.845 3.070 500 HB2 TRP 65 HB2 TRP 65 -4.106 7.060 2.005 501 HB3 TRP 65 HB1 TRP 65 -5.125 6.516 0.708 502 HD1 TRP 65 HD1 TRP 65 -7.368 8.700 1.148 503 HE1 TRP 65 HE1 TRP 65 -6.920 11.098 0.292 504 HE3 TRP 65 HE3 TRP 65 -2.308 8.552 0.882 505 HZ2 TRP 65 HZ2 TRP 65 -4.665 12.717 -0.445 506 HZ3 TRP 65 HZ3 TRP 65 -1.022 10.515 0.089 507 HH2 TRP 65 HH2 TRP 65 -2.198 12.594 -0.570 508 H GLU 66 HN GLU 66 -5.431 6.825 4.994 509 HA GLU 66 HA GLU 66 -7.349 8.648 6.001 510 HB2 GLU 66 HB2 GLU 66 -4.671 7.757 7.069 511 HB3 GLU 66 HB1 GLU 66 -5.931 8.538 7.993 512 HG2 GLU 66 HG2 GLU 66 -6.694 6.082 6.463 513 HG3 GLU 66 HG1 GLU 66 -5.722 5.870 7.909 514 H LYS 67 HN LYS 67 -4.355 9.279 4.335 515 HA LYS 67 HA LYS 67 -3.497 11.622 5.612 516 HB2 LYS 67 HB2 LYS 67 -2.191 10.676 3.850 517 HB3 LYS 67 HB1 LYS 67 -3.492 10.908 2.687 518 HG2 LYS 67 HG2 LYS 67 -3.133 13.181 2.497 519 HG3 LYS 67 HG1 LYS 67 -2.542 13.334 4.151 520 HD2 LYS 67 HD2 LYS 67 -0.392 12.552 3.602 521 HD3 LYS 67 HD1 LYS 67 -0.940 11.832 2.093 522 HE2 LYS 67 HE2 LYS 67 -1.109 13.924 1.015 523 HE3 LYS 67 HE1 LYS 67 -1.136 14.803 2.543 524 HZ1 LYS 67 HZ1 LYS 67 1.150 14.239 2.915 525 HZ2 LYS 67 HZ2 LYS 67 1.010 14.951 1.379 526 HZ3 LYS 67 HZ3 LYS 67 1.192 13.268 1.525 527 H LYS 68 HN LYS 68 -5.882 11.434 2.921 528 HA LYS 68 HA LYS 68 -7.113 13.950 3.972 529 HB2 LYS 68 HB2 LYS 68 -6.164 13.437 1.150 530 HB3 LYS 68 HB1 LYS 68 -7.399 14.638 1.505 531 HG2 LYS 68 HG2 LYS 68 -4.827 14.701 3.072 532 HG3 LYS 68 HG1 LYS 68 -4.835 15.330 1.426 533 HD2 LYS 68 HD2 LYS 68 -6.625 16.891 1.979 534 HD3 LYS 68 HD1 LYS 68 -6.757 16.215 3.602 535 HE2 LYS 68 HE2 LYS 68 -5.367 18.381 3.315 536 HE3 LYS 68 HE1 LYS 68 -4.659 17.072 4.261 537 HZ1 LYS 68 HZ1 LYS 68 -3.279 18.199 2.408 538 HZ2 LYS 68 HZ2 LYS 68 -4.176 17.205 1.363 539 HZ3 LYS 68 HZ3 LYS 68 -3.217 16.513 2.582 540 H ARG 69 HN ARG 69 -7.556 10.859 3.441 541 HA ARG 69 HA ARG 69 -9.403 9.486 3.065 542 HB2 ARG 69 HB2 ARG 69 -10.654 12.112 3.833 543 HB3 ARG 69 HB1 ARG 69 -11.692 10.812 3.266 544 HG2 ARG 69 HG2 ARG 69 -11.537 10.696 5.690 545 HG3 ARG 69 HG1 ARG 69 -10.686 9.314 5.000 546 HD2 ARG 69 HD2 ARG 69 -9.358 10.349 6.799 547 HD3 ARG 69 HD1 ARG 69 -8.543 10.512 5.245 548 HE ARG 69 HE ARG 69 -8.870 12.855 5.371 549 HH11 ARG 69 HH21 ARG 69 -10.781 11.117 7.654 550 HH12 ARG 69 HH22 ARG 69 -11.302 12.535 8.500 551 HH21 ARG 69 HH11 ARG 69 -9.538 14.719 6.464 552 HH22 ARG 69 HH12 ARG 69 -10.598 14.575 7.827 553 H THR 70 HN THR 70 -8.357 9.663 0.821 554 HA THR 70 HA THR 70 -10.441 10.474 -1.154 555 HB THR 70 HB THR 70 -8.080 11.780 -0.912 556 HG1 THR 70 HG1 THR 70 -9.505 11.088 -3.255 557 HG21 THR 70 HG21 THR 70 -6.336 10.975 -2.227 558 HG22 THR 70 HG22 THR 70 -7.390 9.956 -3.199 559 HG23 THR 70 HG23 THR 70 -6.944 9.459 -1.569 560 H TRP 71 HN TRP 71 -9.085 9.172 -3.348 561 HA TRP 71 HA TRP 71 -8.965 6.338 -2.397 562 HB2 TRP 71 HB2 TRP 71 -10.081 6.996 -5.096 563 HB3 TRP 71 HB1 TRP 71 -10.437 5.647 -4.036 564 HD1 TRP 71 HD1 TRP 71 -10.938 9.483 -4.013 565 HE1 TRP 71 HE1 TRP 71 -13.222 9.985 -2.928 566 HE3 TRP 71 HE3 TRP 71 -12.410 4.743 -2.812 567 HZ2 TRP 71 HZ2 TRP 71 -15.387 8.564 -1.714 568 HZ3 TRP 71 HZ3 TRP 71 -14.586 4.346 -1.697 569 HH2 TRP 71 HH2 TRP 71 -16.075 6.248 -1.145 570 H LEU 72 HN LEU 72 -7.602 4.976 -3.600 571 HA LEU 72 HA LEU 72 -5.565 6.373 -5.294 572 HB2 LEU 72 HB2 LEU 72 -5.190 3.592 -4.191 573 HB3 LEU 72 HB1 LEU 72 -3.982 4.833 -4.531 574 HG LEU 72 HG LEU 72 -5.998 4.960 -2.278 575 HD11 LEU 72 HD11 LEU 72 -4.138 3.199 -2.150 576 HD12 LEU 72 HD12 LEU 72 -4.267 4.334 -0.809 577 HD13 LEU 72 HD13 LEU 72 -3.023 4.561 -2.039 578 HD21 LEU 72 HD21 LEU 72 -4.584 6.864 -1.535 579 HD22 LEU 72 HD22 LEU 72 -5.308 7.170 -3.113 580 HD23 LEU 72 HD23 LEU 72 -3.613 6.695 -2.997 581 H LEU 73 HN LEU 73 -6.033 6.087 -7.430 582 HA LEU 73 HA LEU 73 -7.471 3.612 -8.259 583 HB2 LEU 73 HB2 LEU 73 -7.376 5.586 -10.370 584 HB3 LEU 73 HB1 LEU 73 -8.775 4.968 -9.512 585 HG LEU 73 HG LEU 73 -7.007 7.178 -8.413 586 HD11 LEU 73 HD11 LEU 73 -9.533 7.338 -10.066 587 HD12 LEU 73 HD12 LEU 73 -7.937 7.949 -10.499 588 HD13 LEU 73 HD13 LEU 73 -8.838 8.695 -9.180 589 HD21 LEU 73 HD21 LEU 73 -9.371 7.605 -7.249 590 HD22 LEU 73 HD22 LEU 73 -8.267 6.415 -6.585 591 HD23 LEU 73 HD23 LEU 73 -9.613 5.893 -7.589 592 H LYS 74 HN LYS 74 -5.277 5.781 -10.085 593 HA LYS 74 HA LYS 74 -4.464 3.736 -11.789 594 HB2 LYS 74 HB2 LYS 74 -2.959 5.221 -12.758 595 HB3 LYS 74 HB1 LYS 74 -4.261 6.215 -12.131 596 HG2 LYS 74 HG2 LYS 74 -1.809 5.728 -10.461 597 HG3 LYS 74 HG1 LYS 74 -1.791 6.931 -11.724 598 HD2 LYS 74 HD2 LYS 74 -2.439 8.164 -9.851 599 HD3 LYS 74 HD1 LYS 74 -3.963 7.856 -10.642 600 HE2 LYS 74 HE2 LYS 74 -4.725 6.785 -8.791 601 HE3 LYS 74 HE1 LYS 74 -3.343 5.705 -8.793 602 HZ1 LYS 74 HZ1 LYS 74 -2.907 8.444 -7.898 603 HZ2 LYS 74 HZ2 LYS 74 -2.193 6.999 -7.361 604 HZ3 LYS 74 HZ3 LYS 74 -3.764 7.411 -6.861 605 H THR 75 HN THR 75 -2.667 2.519 -12.044 606 HA THR 75 HA THR 75 -1.502 1.479 -9.578 607 HB THR 75 HB THR 75 -1.782 -0.296 -11.044 608 HG1 THR 75 HG1 THR 75 0.652 0.696 -12.099 609 HG21 THR 75 HG21 THR 75 -1.339 1.791 -13.178 610 HG22 THR 75 HG22 THR 75 -2.760 0.781 -12.892 611 HG23 THR 75 HG23 THR 75 -1.297 0.071 -13.571 612 H HIS 76 HN HIS 76 -0.220 2.947 -12.538 613 HA HIS 76 HA HIS 76 2.456 3.048 -12.177 614 HB2 HIS 76 HB2 HIS 76 0.511 5.112 -13.163 615 HB3 HIS 76 HB1 HIS 76 2.203 5.573 -13.009 616 HD1 HIS 76 HD1 HIS 76 3.919 4.373 -14.560 617 HD2 HIS 76 HD2 HIS 76 -0.034 3.227 -15.223 618 HE1 HIS 76 HE1 HIS 76 3.900 3.098 -16.749 619 H TRP 77 HN TRP 77 0.316 5.476 -10.670 620 HA TRP 77 HA TRP 77 2.408 6.736 -9.187 621 HB2 TRP 77 HB2 TRP 77 -0.574 6.698 -8.807 622 HB3 TRP 77 HB1 TRP 77 0.487 7.556 -7.712 623 HD1 TRP 77 HD1 TRP 77 1.647 7.499 -11.268 624 HE1 TRP 77 HE1 TRP 77 1.292 9.815 -12.341 625 HE3 TRP 77 HE3 TRP 77 -1.227 9.709 -7.671 626 HZ2 TRP 77 HZ2 TRP 77 -0.034 12.281 -11.753 627 HZ3 TRP 77 HZ3 TRP 77 -2.021 12.039 -7.952 628 HH2 TRP 77 HH2 TRP 77 -1.429 13.327 -9.987 629 H THR 78 HN THR 78 3.285 4.552 -8.660 630 HA THR 78 HA THR 78 2.368 2.772 -6.729 631 HB THR 78 HB THR 78 5.179 3.258 -6.244 632 HG1 THR 78 HG1 THR 78 5.942 3.424 -8.312 633 HG21 THR 78 HG21 THR 78 3.627 1.195 -7.790 634 HG22 THR 78 HG22 THR 78 4.565 1.000 -6.315 635 HG23 THR 78 HG23 THR 78 5.382 1.220 -7.853 636 H LEU 79 HN LEU 79 2.818 2.698 -4.427 637 HA LEU 79 HA LEU 79 2.054 4.927 -2.932 638 HB2 LEU 79 HB2 LEU 79 4.077 3.351 -1.477 639 HB3 LEU 79 HB1 LEU 79 2.364 3.524 -1.149 640 HG LEU 79 HG LEU 79 1.908 1.848 -2.967 641 HD11 LEU 79 HD11 LEU 79 4.624 2.263 -3.626 642 HD12 LEU 79 HD12 LEU 79 3.538 1.070 -4.299 643 HD13 LEU 79 HD13 LEU 79 4.559 0.644 -2.951 644 HD21 LEU 79 HD21 LEU 79 3.101 1.370 -0.327 645 HD22 LEU 79 HD22 LEU 79 3.395 0.022 -1.424 646 HD23 LEU 79 HD23 LEU 79 1.745 0.561 -1.109 647 H ASP 80 HN ASP 80 5.336 3.842 -3.667 648 HA ASP 80 HA ASP 80 6.684 5.951 -2.364 649 HB2 ASP 80 HB2 ASP 80 8.175 4.338 -2.991 650 HB3 ASP 80 HB1 ASP 80 7.354 3.979 -4.486 651 H LYS 81 HN LYS 81 5.410 5.754 -5.714 652 HA LYS 81 HA LYS 81 6.423 8.144 -6.704 653 HB2 LYS 81 HB2 LYS 81 4.149 6.484 -7.332 654 HB3 LYS 81 HB1 LYS 81 3.630 8.152 -7.416 655 HG2 LYS 81 HG2 LYS 81 4.439 7.764 -9.568 656 HG3 LYS 81 HG1 LYS 81 5.785 8.560 -8.795 657 HD2 LYS 81 HD2 LYS 81 7.141 6.736 -9.039 658 HD3 LYS 81 HD1 LYS 81 5.946 5.668 -8.356 659 HE2 LYS 81 HE2 LYS 81 6.214 4.874 -10.559 660 HE3 LYS 81 HE1 LYS 81 4.727 5.827 -10.603 661 HZ1 LYS 81 HZ1 LYS 81 7.359 6.428 -11.736 662 HZ2 LYS 81 HZ2 LYS 81 6.424 7.729 -11.169 663 HZ3 LYS 81 HZ3 LYS 81 5.815 6.705 -12.381 664 H TYR 82 HN TYR 82 3.588 7.731 -4.646 665 HA TYR 82 HA TYR 82 3.192 10.622 -4.438 666 HB2 TYR 82 HB2 TYR 82 1.428 8.717 -4.006 667 HB3 TYR 82 HB1 TYR 82 2.106 8.693 -2.378 668 HD1 TYR 82 HD2 TYR 82 1.988 10.693 -0.929 669 HD2 TYR 82 HD1 TYR 82 0.179 10.630 -4.824 670 HE1 TYR 82 HE2 TYR 82 0.716 12.749 -0.372 671 HE2 TYR 82 HE1 TYR 82 -1.088 12.688 -4.270 672 HH TYR 82 HH TYR 82 -0.727 14.270 -1.092 673 H GLY 83 HN GLY 83 5.344 8.399 -3.010 674 HA2 GLY 83 HA2 GLY 83 7.175 9.012 -1.591 675 HA3 GLY 83 HA1 GLY 83 6.352 10.529 -1.212 676 H ILE 84 HN ILE 84 4.854 7.391 -1.148 677 HA ILE 84 HA ILE 84 4.094 7.820 1.682 678 HB ILE 84 HB ILE 84 3.121 6.236 -0.616 679 HG12 ILE 84 HG12 ILE 84 1.558 7.008 1.844 680 HG13 ILE 84 HG11 ILE 84 2.027 8.223 0.655 681 HG21 ILE 84 HG21 ILE 84 3.107 5.014 2.141 682 HG22 ILE 84 HG22 ILE 84 3.686 4.297 0.635 683 HG23 ILE 84 HG23 ILE 84 1.958 4.561 0.884 684 HD11 ILE 84 HD11 ILE 84 0.801 7.149 -1.084 685 HD12 ILE 84 HD12 ILE 84 -0.272 7.148 0.319 686 HD13 ILE 84 HD13 ILE 84 0.596 5.679 -0.129 687 H GLN 85 HN GLN 85 4.726 6.507 3.372 688 HA GLN 85 HA GLN 85 6.872 4.484 2.827 689 HB2 GLN 85 HB2 GLN 85 6.703 6.541 5.049 690 HB3 GLN 85 HB1 GLN 85 7.884 5.231 4.993 691 HG2 GLN 85 HG2 GLN 85 8.922 6.098 3.046 692 HG3 GLN 85 HG1 GLN 85 7.555 7.157 2.696 693 HE21 GLN 85 HE21 GLN 85 7.122 8.841 4.563 694 HE22 GLN 85 HE22 GLN 85 8.500 9.553 5.254 695 H ALA 86 HN ALA 86 7.124 3.684 5.523 696 HA ALA 86 HA ALA 86 4.775 1.981 5.755 697 HB1 ALA 86 HB1 ALA 86 6.062 0.745 7.218 698 HB2 ALA 86 HB2 ALA 86 6.717 2.176 8.019 699 HB3 ALA 86 HB3 ALA 86 7.366 1.663 6.466 700 H ASP 87 HN ASP 87 5.407 5.131 6.633 701 HA ASP 87 HA ASP 87 3.870 5.094 9.153 702 HB2 ASP 87 HB2 ASP 87 5.849 6.642 8.707 703 HB3 ASP 87 HB1 ASP 87 4.801 7.500 7.578 704 H ALA 88 HN ALA 88 3.087 4.680 6.130 705 HA ALA 88 HA ALA 88 0.766 6.542 6.021 706 HB1 ALA 88 HB1 ALA 88 1.626 4.512 3.945 707 HB2 ALA 88 HB2 ALA 88 2.279 6.150 4.016 708 HB3 ALA 88 HB3 ALA 88 0.558 5.898 3.719 709 H LYS 89 HN LYS 89 -1.046 5.807 7.007 710 HA LYS 89 HA LYS 89 -1.535 2.879 7.218 711 HB2 LYS 89 HB2 LYS 89 -2.582 5.330 8.627 712 HB3 LYS 89 HB1 LYS 89 -3.564 3.885 8.608 713 HG2 LYS 89 HG2 LYS 89 -2.154 3.929 10.621 714 HG3 LYS 89 HG1 LYS 89 -1.722 2.578 9.579 715 HD2 LYS 89 HD2 LYS 89 0.292 3.732 10.413 716 HD3 LYS 89 HD1 LYS 89 0.163 3.866 8.663 717 HE2 LYS 89 HE2 LYS 89 0.737 6.005 10.037 718 HE3 LYS 89 HE1 LYS 89 -0.466 6.127 8.757 719 HZ1 LYS 89 HZ1 LYS 89 -1.123 7.153 10.911 720 HZ2 LYS 89 HZ2 LYS 89 -1.145 5.597 11.593 721 HZ3 LYS 89 HZ3 LYS 89 -2.212 5.989 10.331 722 H LEU 90 HN LEU 90 -2.612 2.060 5.456 723 HA LEU 90 HA LEU 90 -4.405 3.825 3.910 724 HB2 LEU 90 HB2 LEU 90 -3.552 0.959 3.468 725 HB3 LEU 90 HB1 LEU 90 -4.480 1.938 2.337 726 HG LEU 90 HG LEU 90 -1.708 2.626 3.346 727 HD11 LEU 90 HD11 LEU 90 -0.962 2.002 1.081 728 HD12 LEU 90 HD12 LEU 90 -2.609 1.529 0.666 729 HD13 LEU 90 HD13 LEU 90 -1.716 0.629 1.891 730 HD21 LEU 90 HD21 LEU 90 -1.944 4.153 1.196 731 HD22 LEU 90 HD22 LEU 90 -2.634 4.680 2.727 732 HD23 LEU 90 HD23 LEU 90 -3.673 3.962 1.494 733 H GLN 91 HN GLN 91 -6.380 2.739 3.112 734 HA GLN 91 HA GLN 91 -7.790 1.096 5.068 735 HB2 GLN 91 HB2 GLN 91 -9.277 3.342 3.817 736 HB3 GLN 91 HB1 GLN 91 -9.683 2.397 5.217 737 HG2 GLN 91 HG2 GLN 91 -8.154 3.493 6.608 738 HG3 GLN 91 HG1 GLN 91 -7.229 4.137 5.275 739 HE21 GLN 91 HE21 GLN 91 -7.767 6.195 4.554 740 HE22 GLN 91 HE22 GLN 91 -9.150 7.051 5.030 741 H PHE 92 HN PHE 92 -9.885 0.370 3.925 742 HA PHE 92 HA PHE 92 -9.431 -0.034 1.019 743 HB2 PHE 92 HB2 PHE 92 -9.010 -2.079 2.560 744 HB3 PHE 92 HB1 PHE 92 -10.729 -2.098 2.746 745 HD1 PHE 92 HD1 PHE 92 -12.227 -2.591 0.873 746 HD2 PHE 92 HD2 PHE 92 -7.968 -2.595 0.445 747 HE1 PHE 92 HE1 PHE 92 -12.451 -3.774 -1.295 748 HE2 PHE 92 HE2 PHE 92 -8.182 -3.769 -1.736 749 HZ PHE 92 HZ PHE 92 -10.422 -4.362 -2.598 750 H THR 93 HN THR 93 -11.333 -0.054 -0.137 751 HA THR 93 HA THR 93 -13.899 0.212 1.194 752 HB THR 93 HB THR 93 -13.233 2.390 1.736 753 HG1 THR 93 HG1 THR 93 -14.315 3.672 -0.047 754 HG21 THR 93 HG21 THR 93 -12.100 2.518 -1.057 755 HG22 THR 93 HG22 THR 93 -11.205 2.515 0.462 756 HG23 THR 93 HG23 THR 93 -12.202 3.902 0.022 757 HA PRO 94 HA PRO 94 -15.158 -1.138 -2.824 758 HB2 PRO 94 HB2 PRO 94 -17.809 -0.442 -2.835 759 HB3 PRO 94 HB1 PRO 94 -17.166 -1.784 -1.865 760 HG2 PRO 94 HG2 PRO 94 -17.806 1.013 -1.025 761 HG3 PRO 94 HG1 PRO 94 -18.153 -0.517 -0.196 762 HD2 PRO 94 HD2 PRO 94 -16.055 1.063 0.516 763 HD3 PRO 94 HD1 PRO 94 -15.988 -0.707 0.646 Start of MODEL 19 1 H MET 1 HT1 MET 1 32.831 2.217 7.519 2 HA MET 1 HA MET 1 31.689 4.010 5.927 3 HB2 MET 1 HB2 MET 1 34.592 3.778 5.090 4 HB3 MET 1 HB1 MET 1 33.307 4.499 4.118 5 HG2 MET 1 HG2 MET 1 32.973 6.262 5.678 6 HG3 MET 1 HG1 MET 1 33.912 5.443 6.921 7 HE1 MET 1 HE1 MET 1 36.093 8.522 6.221 8 HE2 MET 1 HE2 MET 1 35.040 7.652 7.332 9 HE3 MET 1 HE3 MET 1 34.342 8.528 5.973 10 H ALA 2 HN ALA 2 32.470 3.052 3.352 11 HA ALA 2 HA ALA 2 32.391 1.143 1.983 12 HB1 ALA 2 HB1 ALA 2 32.415 -0.743 4.315 13 HB2 ALA 2 HB2 ALA 2 33.873 0.202 4.011 14 HB3 ALA 2 HB3 ALA 2 33.240 -0.868 2.761 15 H LEU 3 HN LEU 3 30.172 2.464 3.457 16 HA LEU 3 HA LEU 3 27.931 2.103 4.091 17 HB2 LEU 3 HB2 LEU 3 28.375 0.955 1.350 18 HB3 LEU 3 HB1 LEU 3 26.781 1.285 2.008 19 HG LEU 3 HG LEU 3 28.850 3.470 2.064 20 HD11 LEU 3 HD11 LEU 3 29.060 2.889 -0.206 21 HD12 LEU 3 HD12 LEU 3 27.859 4.180 -0.211 22 HD13 LEU 3 HD13 LEU 3 27.348 2.498 -0.364 23 HD21 LEU 3 HD21 LEU 3 26.799 4.867 1.735 24 HD22 LEU 3 HD22 LEU 3 26.716 3.867 3.183 25 HD23 LEU 3 HD23 LEU 3 25.830 3.395 1.734 26 H ASP 4 HN ASP 4 27.712 -0.688 2.097 27 HA ASP 4 HA ASP 4 28.223 -2.802 3.879 28 HB2 ASP 4 HB2 ASP 4 26.627 -2.104 5.449 29 HB3 ASP 4 HB1 ASP 4 25.576 -1.429 4.207 30 H GLY 5 HN GLY 5 25.172 -2.196 2.220 31 HA2 GLY 5 HA2 GLY 5 26.015 -3.685 -0.174 32 HA3 GLY 5 HA1 GLY 5 24.808 -4.486 0.821 33 H ILE 6 HN ILE 6 24.173 -1.368 1.318 34 HA ILE 6 HA ILE 6 21.708 -1.134 0.155 35 HB ILE 6 HB ILE 6 23.779 1.056 0.354 36 HG12 ILE 6 HG12 ILE 6 21.732 0.069 2.366 37 HG13 ILE 6 HG11 ILE 6 23.465 -0.209 2.463 38 HG21 ILE 6 HG21 ILE 6 21.745 2.514 0.625 39 HG22 ILE 6 HG22 ILE 6 20.744 1.112 0.249 40 HG23 ILE 6 HG23 ILE 6 21.849 1.760 -0.962 41 HD11 ILE 6 HD11 ILE 6 23.815 2.269 2.495 42 HD12 ILE 6 HD12 ILE 6 22.911 1.676 3.888 43 HD13 ILE 6 HD13 ILE 6 22.065 2.474 2.562 44 H ARG 7 HN ARG 7 24.713 -1.210 -1.502 45 HA ARG 7 HA ARG 7 23.776 0.139 -3.905 46 HB2 ARG 7 HB2 ARG 7 26.161 0.139 -3.366 47 HB3 ARG 7 HB1 ARG 7 26.176 -1.609 -3.352 48 HG2 ARG 7 HG2 ARG 7 27.091 -0.591 -5.465 49 HG3 ARG 7 HG1 ARG 7 25.774 -1.737 -5.710 50 HD2 ARG 7 HD2 ARG 7 25.678 0.515 -6.989 51 HD3 ARG 7 HD1 ARG 7 24.224 -0.038 -6.164 52 HE ARG 7 HE ARG 7 25.542 1.540 -4.284 53 HH11 ARG 7 HH21 ARG 7 24.372 1.864 -7.510 54 HH12 ARG 7 HH22 ARG 7 24.018 3.552 -7.352 55 HH21 ARG 7 HH11 ARG 7 25.085 3.738 -4.057 56 HH22 ARG 7 HH12 ARG 7 24.421 4.614 -5.396 57 H MET 8 HN MET 8 24.346 -3.179 -2.888 58 HA MET 8 HA MET 8 22.856 -4.165 -5.296 59 HB2 MET 8 HB2 MET 8 24.134 -6.365 -4.485 60 HB3 MET 8 HB1 MET 8 24.967 -5.156 -5.450 61 HG2 MET 8 HG2 MET 8 26.055 -4.240 -3.567 62 HG3 MET 8 HG1 MET 8 24.943 -5.019 -2.443 63 HE1 MET 8 HE1 MET 8 26.553 -6.929 -5.633 64 HE2 MET 8 HE2 MET 8 28.194 -6.976 -4.994 65 HE3 MET 8 HE3 MET 8 27.390 -5.425 -5.219 66 HA PRO 9 HA PRO 9 19.684 -5.932 -2.721 67 HB2 PRO 9 HB2 PRO 9 20.543 -8.679 -3.595 68 HB3 PRO 9 HB1 PRO 9 18.920 -7.955 -3.586 69 HG2 PRO 9 HG2 PRO 9 20.211 -8.183 -5.856 70 HG3 PRO 9 HG1 PRO 9 19.349 -6.678 -5.480 71 HD2 PRO 9 HD2 PRO 9 22.290 -7.230 -5.350 72 HD3 PRO 9 HD1 PRO 9 21.445 -5.785 -5.947 73 H ASP 10 HN ASP 10 22.854 -6.192 -2.082 74 HA ASP 10 HA ASP 10 22.673 -8.137 0.148 75 HB2 ASP 10 HB2 ASP 10 24.733 -7.890 -1.358 76 HB3 ASP 10 HB1 ASP 10 25.022 -6.360 -0.533 77 H GLY 11 HN GLY 11 21.409 -5.351 -0.258 78 HA2 GLY 11 HA2 GLY 11 21.150 -4.575 2.441 79 HA3 GLY 11 HA1 GLY 11 22.417 -3.574 1.731 80 H CYS 12 HN CYS 12 21.218 -3.773 -0.939 81 HA CYS 12 HA CYS 12 19.644 -1.411 -0.953 82 HB2 CYS 12 HB2 CYS 12 20.683 -1.992 -2.997 83 HB3 CYS 12 HB1 CYS 12 20.069 -3.639 -2.946 84 HG CYS 12 HG CYS 12 18.654 -1.332 -4.234 85 H TYR 13 HN TYR 13 18.095 -4.154 -2.486 86 HA TYR 13 HA TYR 13 15.555 -3.469 -1.340 87 HB2 TYR 13 HB2 TYR 13 16.373 -6.029 -2.731 88 HB3 TYR 13 HB1 TYR 13 14.728 -5.460 -2.476 89 HD1 TYR 13 HD1 TYR 13 14.007 -3.255 -3.524 90 HD2 TYR 13 HD2 TYR 13 17.660 -5.256 -4.574 91 HE1 TYR 13 HE1 TYR 13 14.141 -1.919 -5.608 92 HE2 TYR 13 HE2 TYR 13 17.793 -3.920 -6.658 93 HH TYR 13 HH TYR 13 16.420 -2.647 -8.115 94 H ALA 14 HN ALA 14 18.073 -4.739 0.152 95 HA ALA 14 HA ALA 14 16.625 -6.801 1.732 96 HB1 ALA 14 HB1 ALA 14 18.962 -6.802 2.930 97 HB2 ALA 14 HB2 ALA 14 19.481 -5.879 1.521 98 HB3 ALA 14 HB3 ALA 14 18.833 -7.505 1.316 99 H ASP 15 HN ASP 15 17.040 -3.510 1.676 100 HA ASP 15 HA ASP 15 15.961 -3.185 4.339 101 HB2 ASP 15 HB2 ASP 15 18.574 -3.532 4.452 102 HB3 ASP 15 HB1 ASP 15 18.634 -1.855 3.924 103 H GLY 16 HN GLY 16 16.915 -0.488 4.590 104 HA2 GLY 16 HA2 GLY 16 16.187 1.655 3.943 105 HA3 GLY 16 HA1 GLY 16 16.661 1.147 2.323 106 H THR 17 HN THR 17 14.370 -1.014 3.403 107 HA THR 17 HA THR 17 12.213 0.401 1.888 108 HB THR 17 HB THR 17 11.198 -1.871 1.739 109 HG1 THR 17 HG1 THR 17 12.844 -2.349 3.695 110 HG21 THR 17 HG21 THR 17 13.321 -0.889 0.268 111 HG22 THR 17 HG22 THR 17 12.442 -2.369 -0.113 112 HG23 THR 17 HG23 THR 17 13.938 -2.448 0.810 113 H TRP 18 HN TRP 18 9.954 -0.506 2.738 114 HA TRP 18 HA TRP 18 9.869 -0.762 5.674 115 HB2 TRP 18 HB2 TRP 18 8.143 1.134 5.787 116 HB3 TRP 18 HB1 TRP 18 9.833 1.588 5.690 117 HD1 TRP 18 HD1 TRP 18 10.381 3.363 3.979 118 HE1 TRP 18 HE1 TRP 18 9.245 4.366 1.884 119 HE3 TRP 18 HE3 TRP 18 6.324 0.277 3.545 120 HZ2 TRP 18 HZ2 TRP 18 6.934 3.946 0.294 121 HZ3 TRP 18 HZ3 TRP 18 4.695 0.598 1.745 122 HH2 TRP 18 HH2 TRP 18 5.007 2.409 0.096 123 H GLU 19 HN GLU 19 7.196 -0.537 6.176 124 HA GLU 19 HA GLU 19 5.871 -2.248 4.119 125 HB2 GLU 19 HB2 GLU 19 4.706 -3.441 5.893 126 HB3 GLU 19 HB1 GLU 19 6.443 -3.606 6.113 127 HG2 GLU 19 HG2 GLU 19 4.667 -1.632 7.573 128 HG3 GLU 19 HG1 GLU 19 5.307 -3.124 8.253 129 H LEU 20 HN LEU 20 3.424 -2.276 4.920 130 HA LEU 20 HA LEU 20 2.546 0.420 5.676 131 HB2 LEU 20 HB2 LEU 20 2.771 -0.347 2.957 132 HB3 LEU 20 HB1 LEU 20 1.038 -0.355 3.317 133 HG LEU 20 HG LEU 20 2.933 1.937 3.974 134 HD11 LEU 20 HD11 LEU 20 1.578 3.125 2.222 135 HD12 LEU 20 HD12 LEU 20 0.977 1.535 1.736 136 HD13 LEU 20 HD13 LEU 20 2.698 1.899 1.620 137 HD21 LEU 20 HD21 LEU 20 1.189 2.216 5.490 138 HD22 LEU 20 HD22 LEU 20 0.010 1.415 4.449 139 HD23 LEU 20 HD23 LEU 20 0.521 3.065 4.100 140 H SER 21 HN SER 21 0.256 0.592 6.051 141 HA SER 21 HA SER 21 -0.975 -2.006 6.833 142 HB2 SER 21 HB2 SER 21 -2.150 -0.585 8.589 143 HB3 SER 21 HB1 SER 21 -0.430 -0.856 8.811 144 HG SER 21 HG SER 21 -0.912 1.334 9.078 145 H VAL 22 HN VAL 22 -2.935 -2.434 6.241 146 HA VAL 22 HA VAL 22 -4.543 -0.352 4.821 147 HB VAL 22 HB VAL 22 -3.858 -3.158 4.059 148 HG11 VAL 22 HG11 VAL 22 -6.634 -2.012 3.593 149 HG12 VAL 22 HG12 VAL 22 -6.249 -3.496 4.467 150 HG13 VAL 22 HG13 VAL 22 -5.969 -3.396 2.730 151 HG21 VAL 22 HG21 VAL 22 -3.037 -1.223 2.809 152 HG22 VAL 22 HG22 VAL 22 -4.691 -0.675 2.536 153 HG23 VAL 22 HG23 VAL 22 -4.131 -2.175 1.803 154 H HIS 23 HN HIS 23 -6.756 -0.642 4.968 155 HA HIS 23 HA HIS 23 -7.840 -2.018 7.375 156 HB2 HIS 23 HB2 HIS 23 -7.268 0.740 7.214 157 HB3 HIS 23 HB1 HIS 23 -9.002 0.665 6.988 158 HD1 HIS 23 HD1 HIS 23 -6.427 0.569 9.573 159 HD2 HIS 23 HD2 HIS 23 -10.332 -0.842 9.203 160 HE1 HIS 23 HE1 HIS 23 -7.229 0.056 11.920 161 H VAL 24 HN VAL 24 -9.644 -3.120 6.770 162 HA VAL 24 HA VAL 24 -10.940 -2.450 4.234 163 HB VAL 24 HB VAL 24 -11.859 -4.608 6.104 164 HG11 VAL 24 HG11 VAL 24 -11.697 -4.631 3.086 165 HG12 VAL 24 HG12 VAL 24 -13.079 -3.943 3.933 166 HG13 VAL 24 HG13 VAL 24 -12.681 -5.650 4.130 167 HG21 VAL 24 HG21 VAL 24 -10.210 -6.053 4.680 168 HG22 VAL 24 HG22 VAL 24 -9.569 -5.120 6.027 169 HG23 VAL 24 HG23 VAL 24 -9.384 -4.522 4.378 170 H THR 25 HN THR 25 -12.169 -0.621 4.441 171 HA THR 25 HA THR 25 -13.843 -0.166 6.788 172 HB THR 25 HB THR 25 -14.333 1.907 5.827 173 HG1 THR 25 HG1 THR 25 -14.710 2.174 3.735 174 HG21 THR 25 HG21 THR 25 -11.839 1.269 4.263 175 HG22 THR 25 HG22 THR 25 -11.813 1.421 6.019 176 HG23 THR 25 HG23 THR 25 -12.293 2.794 5.022 177 H ASP 26 HN ASP 26 -16.249 0.115 6.523 178 HA ASP 26 HA ASP 26 -18.347 -0.692 5.873 179 HB2 ASP 26 HB2 ASP 26 -17.311 -0.016 3.539 180 HB3 ASP 26 HB1 ASP 26 -17.183 -1.758 3.300 181 H VAL 27 HN VAL 27 -15.576 -2.567 6.190 182 HA VAL 27 HA VAL 27 -17.210 -5.061 6.522 183 HB VAL 27 HB VAL 27 -14.318 -5.044 5.649 184 HG11 VAL 27 HG11 VAL 27 -14.702 -7.339 5.143 185 HG12 VAL 27 HG12 VAL 27 -16.452 -7.146 5.218 186 HG13 VAL 27 HG13 VAL 27 -15.497 -7.090 6.698 187 HG21 VAL 27 HG21 VAL 27 -16.841 -4.956 3.983 188 HG22 VAL 27 HG22 VAL 27 -15.327 -5.606 3.354 189 HG23 VAL 27 HG23 VAL 27 -15.421 -3.921 3.857 190 H ASN 28 HN ASN 28 -14.682 -2.943 7.619 191 HA ASN 28 HA ASN 28 -13.845 -2.588 9.736 192 HB2 ASN 28 HB2 ASN 28 -16.255 -3.513 10.180 193 HB3 ASN 28 HB1 ASN 28 -15.386 -4.903 10.812 194 HD21 ASN 28 HD21 ASN 28 -16.940 -3.219 12.542 195 HD22 ASN 28 HD22 ASN 28 -15.883 -2.404 13.590 196 H ARG 29 HN ARG 29 -12.869 -4.879 7.876 197 HA ARG 29 HA ARG 29 -11.303 -6.411 9.927 198 HB2 ARG 29 HB2 ARG 29 -10.846 -7.034 7.041 199 HB3 ARG 29 HB1 ARG 29 -11.066 -8.119 8.416 200 HG2 ARG 29 HG2 ARG 29 -13.499 -7.594 8.421 201 HG3 ARG 29 HG1 ARG 29 -13.255 -6.592 6.994 202 HD2 ARG 29 HD2 ARG 29 -14.048 -9.019 6.608 203 HD3 ARG 29 HD1 ARG 29 -12.689 -8.448 5.641 204 HE ARG 29 HE ARG 29 -11.918 -9.787 8.133 205 HH11 ARG 29 HH21 ARG 29 -12.693 -10.045 4.783 206 HH12 ARG 29 HH22 ARG 29 -11.804 -11.515 4.556 207 HH21 ARG 29 HH11 ARG 29 -10.755 -11.698 7.857 208 HH22 ARG 29 HH12 ARG 29 -10.704 -12.448 6.297 209 H ASP 30 HN ASP 30 -8.907 -6.787 8.794 210 HA ASP 30 HA ASP 30 -7.960 -4.351 7.500 211 HB2 ASP 30 HB2 ASP 30 -6.175 -4.380 9.649 212 HB3 ASP 30 HB1 ASP 30 -7.484 -3.222 9.410 213 H VAL 31 HN VAL 31 -6.053 -4.610 6.526 214 HA VAL 31 HA VAL 31 -4.537 -7.120 6.897 215 HB VAL 31 HB VAL 31 -5.304 -6.083 4.150 216 HG11 VAL 31 HG11 VAL 31 -4.836 -8.553 3.630 217 HG12 VAL 31 HG12 VAL 31 -4.160 -8.659 5.251 218 HG13 VAL 31 HG13 VAL 31 -3.442 -7.567 4.068 219 HG21 VAL 31 HG21 VAL 31 -7.416 -6.613 5.150 220 HG22 VAL 31 HG22 VAL 31 -6.765 -8.063 5.914 221 HG23 VAL 31 HG23 VAL 31 -6.977 -8.008 4.164 222 H THR 32 HN THR 32 -2.279 -6.721 5.827 223 HA THR 32 HA THR 32 -1.745 -3.796 5.535 224 HB THR 32 HB THR 32 0.257 -4.067 6.905 225 HG1 THR 32 HG1 THR 32 -0.321 -6.656 6.523 226 HG21 THR 32 HG21 THR 32 -0.811 -3.952 8.962 227 HG22 THR 32 HG22 THR 32 -1.905 -5.279 8.575 228 HG23 THR 32 HG23 THR 32 -2.171 -3.684 7.873 229 H LEU 33 HN LEU 33 -0.106 -3.245 4.148 230 HA LEU 33 HA LEU 33 0.660 -5.419 2.277 231 HB2 LEU 33 HB2 LEU 33 0.566 -2.412 2.124 232 HB3 LEU 33 HB1 LEU 33 1.705 -3.250 1.090 233 HG LEU 33 HG LEU 33 -0.342 -2.838 -0.121 234 HD11 LEU 33 HD11 LEU 33 -0.610 -5.768 0.412 235 HD12 LEU 33 HD12 LEU 33 0.945 -5.172 -0.171 236 HD13 LEU 33 HD13 LEU 33 -0.517 -4.896 -1.112 237 HD21 LEU 33 HD21 LEU 33 -1.996 -4.646 1.567 238 HD22 LEU 33 HD22 LEU 33 -2.445 -3.220 0.634 239 HD23 LEU 33 HD23 LEU 33 -1.682 -3.032 2.207 240 H ARG 34 HN ARG 34 2.783 -5.488 1.597 241 HA ARG 34 HA ARG 34 4.864 -4.442 3.489 242 HB2 ARG 34 HB2 ARG 34 4.357 -7.044 3.510 243 HB3 ARG 34 HB1 ARG 34 5.201 -7.028 1.965 244 HG2 ARG 34 HG2 ARG 34 6.963 -7.433 3.447 245 HG3 ARG 34 HG1 ARG 34 7.037 -5.681 3.278 246 HD2 ARG 34 HD2 ARG 34 7.095 -5.877 5.597 247 HD3 ARG 34 HD1 ARG 34 5.356 -5.748 5.349 248 HE ARG 34 HE ARG 34 5.147 -8.005 6.020 249 HH11 ARG 34 HH21 ARG 34 8.398 -7.164 5.232 250 HH12 ARG 34 HH22 ARG 34 9.064 -8.653 5.815 251 HH21 ARG 34 HH11 ARG 34 5.999 -9.952 6.786 252 HH22 ARG 34 HH12 ARG 34 7.706 -10.231 6.695 253 H VAL 35 HN VAL 35 5.278 -2.689 2.082 254 HA VAL 35 HA VAL 35 6.602 -3.392 -0.479 255 HB VAL 35 HB VAL 35 5.162 -1.785 -1.709 256 HG11 VAL 35 HG11 VAL 35 4.732 -4.293 -1.590 257 HG12 VAL 35 HG12 VAL 35 3.363 -3.296 -2.067 258 HG13 VAL 35 HG13 VAL 35 3.462 -3.921 -0.423 259 HG21 VAL 35 HG21 VAL 35 2.819 -1.522 -0.345 260 HG22 VAL 35 HG22 VAL 35 4.096 -0.312 -0.290 261 HG23 VAL 35 HG23 VAL 35 3.948 -1.492 1.008 262 H THR 36 HN THR 36 6.796 -1.008 -1.659 263 HA THR 36 HA THR 36 7.936 0.904 0.336 264 HB THR 36 HB THR 36 9.771 1.286 -1.445 265 HG1 THR 36 HG1 THR 36 10.110 -0.881 -2.505 266 HG21 THR 36 HG21 THR 36 10.088 0.150 0.777 267 HG22 THR 36 HG22 THR 36 11.173 -0.430 -0.485 268 HG23 THR 36 HG23 THR 36 9.765 -1.387 -0.026 269 H GLY 37 HN GLY 37 8.540 3.002 -1.074 270 HA2 GLY 37 HA2 GLY 37 6.094 4.042 -2.107 271 HA3 GLY 37 HA1 GLY 37 7.669 4.804 -2.248 272 H GLU 38 HN GLU 38 7.566 1.633 -3.472 273 HA GLU 38 HA GLU 38 7.671 2.697 -6.256 274 HB2 GLU 38 HB2 GLU 38 9.069 0.825 -6.748 275 HB3 GLU 38 HB1 GLU 38 9.601 1.431 -5.184 276 HG2 GLU 38 HG2 GLU 38 9.449 -0.842 -4.707 277 HG3 GLU 38 HG1 GLU 38 7.840 -0.294 -4.226 278 H VAL 39 HN VAL 39 5.773 0.649 -4.198 279 HA VAL 39 HA VAL 39 4.706 -1.054 -6.253 280 HB VAL 39 HB VAL 39 4.527 -1.676 -3.922 281 HG11 VAL 39 HG11 VAL 39 3.059 -0.464 -2.386 282 HG12 VAL 39 HG12 VAL 39 2.655 0.687 -3.645 283 HG13 VAL 39 HG13 VAL 39 4.286 0.617 -3.018 284 HG21 VAL 39 HG21 VAL 39 1.763 -1.112 -5.020 285 HG22 VAL 39 HG22 VAL 39 2.224 -2.391 -3.898 286 HG23 VAL 39 HG23 VAL 39 2.794 -2.435 -5.564 287 H HIS 40 HN HIS 40 3.215 -0.645 -7.742 288 HA HIS 40 HA HIS 40 2.200 2.000 -8.189 289 HB2 HIS 40 HB2 HIS 40 1.587 -0.724 -9.333 290 HB3 HIS 40 HB1 HIS 40 0.666 0.691 -9.823 291 HD1 HIS 40 HD1 HIS 40 3.979 1.828 -9.090 292 HD2 HIS 40 HD2 HIS 40 2.220 -0.080 -12.353 293 HE1 HIS 40 HE1 HIS 40 5.529 2.201 -11.059 294 H ILE 41 HN ILE 41 0.042 2.795 -7.843 295 HA ILE 41 HA ILE 41 -1.318 1.846 -5.536 296 HB ILE 41 HB ILE 41 -2.635 3.202 -7.899 297 HG12 ILE 41 HG12 ILE 41 -1.107 4.423 -5.577 298 HG13 ILE 41 HG11 ILE 41 -0.561 4.398 -7.249 299 HG21 ILE 41 HG21 ILE 41 -4.003 2.239 -5.962 300 HG22 ILE 41 HG22 ILE 41 -4.228 3.956 -6.277 301 HG23 ILE 41 HG23 ILE 41 -3.209 3.430 -4.934 302 HD11 ILE 41 HD11 ILE 41 -1.842 6.171 -7.793 303 HD12 ILE 41 HD12 ILE 41 -2.058 6.415 -6.066 304 HD13 ILE 41 HD13 ILE 41 -3.264 5.524 -6.986 305 H GLY 42 HN GLY 42 -1.945 1.386 -8.989 306 HA2 GLY 42 HA2 GLY 42 -3.991 -0.596 -8.701 307 HA3 GLY 42 HA1 GLY 42 -2.982 -0.368 -10.134 308 H GLY 43 HN GLY 43 -0.867 -0.657 -7.640 309 HA2 GLY 43 HA2 GLY 43 -0.574 -3.617 -8.020 310 HA3 GLY 43 HA1 GLY 43 0.780 -2.509 -7.769 311 H VAL 44 HN VAL 44 -0.892 -0.954 -5.859 312 HA VAL 44 HA VAL 44 -0.050 -2.209 -3.428 313 HB VAL 44 HB VAL 44 -1.877 0.056 -4.198 314 HG11 VAL 44 HG11 VAL 44 -1.544 -1.141 -1.444 315 HG12 VAL 44 HG12 VAL 44 -3.041 -0.764 -2.293 316 HG13 VAL 44 HG13 VAL 44 -2.027 0.539 -1.676 317 HG21 VAL 44 HG21 VAL 44 -0.207 1.316 -2.750 318 HG22 VAL 44 HG22 VAL 44 0.430 0.622 -4.238 319 HG23 VAL 44 HG23 VAL 44 0.732 -0.175 -2.692 320 H MET 45 HN MET 45 -3.102 -2.045 -5.209 321 HA MET 45 HA MET 45 -4.550 -3.632 -3.262 322 HB2 MET 45 HB2 MET 45 -6.159 -3.856 -5.298 323 HB3 MET 45 HB1 MET 45 -5.984 -2.309 -4.483 324 HG2 MET 45 HG2 MET 45 -3.956 -2.586 -6.584 325 HG3 MET 45 HG1 MET 45 -5.552 -2.815 -7.193 326 HE1 MET 45 HE1 MET 45 -7.469 -1.579 -6.164 327 HE2 MET 45 HE2 MET 45 -7.333 -0.575 -7.605 328 HE3 MET 45 HE3 MET 45 -7.527 0.184 -6.027 329 H LEU 46 HN LEU 46 -3.014 -4.283 -6.401 330 HA LEU 46 HA LEU 46 -3.720 -7.068 -6.401 331 HB2 LEU 46 HB2 LEU 46 -1.280 -5.797 -7.658 332 HB3 LEU 46 HB1 LEU 46 -2.007 -7.335 -8.108 333 HG LEU 46 HG LEU 46 -3.487 -4.695 -8.240 334 HD11 LEU 46 HD11 LEU 46 -3.000 -4.601 -10.589 335 HD12 LEU 46 HD12 LEU 46 -2.267 -6.204 -10.566 336 HD13 LEU 46 HD13 LEU 46 -1.456 -4.853 -9.777 337 HD21 LEU 46 HD21 LEU 46 -4.860 -6.139 -9.909 338 HD22 LEU 46 HD22 LEU 46 -5.068 -6.459 -8.190 339 HD23 LEU 46 HD23 LEU 46 -4.053 -7.519 -9.166 340 H LYS 47 HN LYS 47 -0.653 -5.462 -5.536 341 HA LYS 47 HA LYS 47 0.682 -7.673 -4.496 342 HB2 LYS 47 HB2 LYS 47 1.493 -5.243 -4.608 343 HB3 LYS 47 HB1 LYS 47 0.618 -4.984 -3.109 344 HG2 LYS 47 HG2 LYS 47 2.727 -5.544 -2.288 345 HG3 LYS 47 HG1 LYS 47 1.925 -7.112 -2.293 346 HD2 LYS 47 HD2 LYS 47 3.933 -7.635 -3.380 347 HD3 LYS 47 HD1 LYS 47 2.894 -7.274 -4.757 348 HE2 LYS 47 HE2 LYS 47 4.688 -5.929 -5.312 349 HE3 LYS 47 HE1 LYS 47 3.819 -4.783 -4.290 350 HZ1 LYS 47 HZ1 LYS 47 6.266 -6.272 -3.761 351 HZ2 LYS 47 HZ2 LYS 47 5.206 -6.068 -2.450 352 HZ3 LYS 47 HZ3 LYS 47 5.817 -4.713 -3.271 353 H LEU 48 HN LEU 48 -2.044 -5.924 -3.232 354 HA LEU 48 HA LEU 48 -1.989 -7.335 -0.652 355 HB2 LEU 48 HB2 LEU 48 -2.773 -5.104 -0.563 356 HB3 LEU 48 HB1 LEU 48 -3.840 -5.336 -1.921 357 HG LEU 48 HG LEU 48 -5.297 -6.746 -0.649 358 HD11 LEU 48 HD11 LEU 48 -3.032 -6.705 1.341 359 HD12 LEU 48 HD12 LEU 48 -3.899 -8.089 0.688 360 HD13 LEU 48 HD13 LEU 48 -4.676 -7.046 1.871 361 HD21 LEU 48 HD21 LEU 48 -5.585 -4.334 -0.312 362 HD22 LEU 48 HD22 LEU 48 -4.400 -4.364 0.990 363 HD23 LEU 48 HD23 LEU 48 -5.933 -5.200 1.186 364 H VAL 49 HN VAL 49 -4.283 -7.115 -3.415 365 HA VAL 49 HA VAL 49 -5.941 -9.277 -2.613 366 HB VAL 49 HB VAL 49 -5.182 -8.515 -5.449 367 HG11 VAL 49 HG11 VAL 49 -7.688 -9.853 -4.409 368 HG12 VAL 49 HG12 VAL 49 -6.348 -10.716 -5.162 369 HG13 VAL 49 HG13 VAL 49 -7.271 -9.542 -6.093 370 HG21 VAL 49 HG21 VAL 49 -6.257 -6.769 -3.658 371 HG22 VAL 49 HG22 VAL 49 -7.732 -7.569 -4.193 372 HG23 VAL 49 HG23 VAL 49 -6.695 -6.760 -5.366 373 H GLU 50 HN GLU 50 -2.803 -9.147 -4.141 374 HA GLU 50 HA GLU 50 -2.633 -11.946 -4.812 375 HB2 GLU 50 HB2 GLU 50 -0.578 -9.769 -4.385 376 HB3 GLU 50 HB1 GLU 50 -0.121 -11.428 -4.772 377 HG2 GLU 50 HG2 GLU 50 -1.543 -11.334 -6.789 378 HG3 GLU 50 HG1 GLU 50 -1.951 -9.673 -6.425 379 H LYS 51 HN LYS 51 -1.789 -9.989 -1.946 380 HA LYS 51 HA LYS 51 -0.484 -12.083 -0.474 381 HB2 LYS 51 HB2 LYS 51 -1.719 -9.445 0.115 382 HB3 LYS 51 HB1 LYS 51 -1.608 -10.533 1.474 383 HG2 LYS 51 HG2 LYS 51 0.825 -10.807 1.035 384 HG3 LYS 51 HG1 LYS 51 0.683 -9.692 -0.321 385 HD2 LYS 51 HD2 LYS 51 1.521 -8.517 1.672 386 HD3 LYS 51 HD1 LYS 51 -0.066 -7.905 1.209 387 HE2 LYS 51 HE2 LYS 51 0.437 -8.494 3.737 388 HE3 LYS 51 HE1 LYS 51 -1.131 -8.890 3.037 389 HZ1 LYS 51 HZ1 LYS 51 1.124 -10.804 3.004 390 HZ2 LYS 51 HZ2 LYS 51 -0.531 -11.119 2.787 391 HZ3 LYS 51 HZ3 LYS 51 0.063 -10.701 4.322 392 H LEU 52 HN LEU 52 -3.844 -11.005 -0.653 393 HA LEU 52 HA LEU 52 -5.856 -12.092 -0.240 394 HB2 LEU 52 HB2 LEU 52 -4.302 -14.648 0.148 395 HB3 LEU 52 HB1 LEU 52 -5.963 -14.454 -0.391 396 HG LEU 52 HG LEU 52 -3.963 -13.067 -2.097 397 HD11 LEU 52 HD11 LEU 52 -2.607 -14.942 -1.689 398 HD12 LEU 52 HD12 LEU 52 -3.362 -15.194 -3.263 399 HD13 LEU 52 HD13 LEU 52 -3.968 -16.053 -1.846 400 HD21 LEU 52 HD21 LEU 52 -6.267 -14.940 -2.656 401 HD22 LEU 52 HD22 LEU 52 -5.336 -14.085 -3.887 402 HD23 LEU 52 HD23 LEU 52 -6.306 -13.177 -2.726 403 H ASP 53 HN ASP 53 -6.935 -13.571 1.426 404 HA ASP 53 HA ASP 53 -5.761 -13.967 4.013 405 HB2 ASP 53 HB2 ASP 53 -6.899 -12.196 5.253 406 HB3 ASP 53 HB1 ASP 53 -5.894 -11.458 4.006 407 H VAL 54 HN VAL 54 -8.675 -13.278 2.128 408 HA VAL 54 HA VAL 54 -9.915 -15.763 3.073 409 HB VAL 54 HB VAL 54 -11.173 -13.058 3.649 410 HG11 VAL 54 HG11 VAL 54 -12.913 -14.512 2.838 411 HG12 VAL 54 HG12 VAL 54 -13.033 -14.509 4.596 412 HG13 VAL 54 HG13 VAL 54 -12.286 -15.874 3.764 413 HG21 VAL 54 HG21 VAL 54 -10.152 -15.333 5.365 414 HG22 VAL 54 HG22 VAL 54 -11.268 -14.119 5.986 415 HG23 VAL 54 HG23 VAL 54 -9.670 -13.638 5.416 416 H LYS 55 HN LYS 55 -11.298 -12.768 1.674 417 HA LYS 55 HA LYS 55 -11.182 -13.726 -1.036 418 HB2 LYS 55 HB2 LYS 55 -13.431 -14.401 -1.438 419 HB3 LYS 55 HB1 LYS 55 -12.927 -15.266 0.011 420 HG2 LYS 55 HG2 LYS 55 -13.969 -13.175 1.260 421 HG3 LYS 55 HG1 LYS 55 -14.847 -12.964 -0.254 422 HD2 LYS 55 HD2 LYS 55 -14.809 -15.512 1.390 423 HD3 LYS 55 HD1 LYS 55 -16.127 -14.340 1.360 424 HE2 LYS 55 HE2 LYS 55 -15.105 -15.984 -0.972 425 HE3 LYS 55 HE1 LYS 55 -16.675 -16.130 -0.180 426 HZ1 LYS 55 HZ1 LYS 55 -15.707 -14.087 -2.032 427 HZ2 LYS 55 HZ2 LYS 55 -16.779 -13.593 -0.810 428 HZ3 LYS 55 HZ3 LYS 55 -17.241 -14.801 -1.912 429 H LYS 56 HN LYS 56 -10.770 -11.749 -1.875 430 HA LYS 56 HA LYS 56 -12.754 -9.558 -1.397 431 HB2 LYS 56 HB2 LYS 56 -9.905 -9.618 -0.701 432 HB3 LYS 56 HB1 LYS 56 -10.234 -8.302 -1.812 433 HG2 LYS 56 HG2 LYS 56 -10.578 -7.299 0.277 434 HG3 LYS 56 HG1 LYS 56 -12.215 -7.733 -0.194 435 HD2 LYS 56 HD2 LYS 56 -12.164 -8.590 1.974 436 HD3 LYS 56 HD1 LYS 56 -11.637 -10.002 1.066 437 HE2 LYS 56 HE2 LYS 56 -10.021 -9.879 2.754 438 HE3 LYS 56 HE1 LYS 56 -9.229 -9.014 1.436 439 HZ1 LYS 56 HZ1 LYS 56 -10.888 -7.638 3.464 440 HZ2 LYS 56 HZ2 LYS 56 -9.773 -6.955 2.378 441 HZ3 LYS 56 HZ3 LYS 56 -9.226 -7.897 3.682 442 H ASP 57 HN ASP 57 -13.095 -8.207 -3.193 443 HA ASP 57 HA ASP 57 -12.655 -9.425 -5.767 444 HB2 ASP 57 HB2 ASP 57 -13.401 -6.534 -5.353 445 HB3 ASP 57 HB1 ASP 57 -13.852 -7.612 -6.671 446 H TRP 58 HN TRP 58 -11.357 -8.506 -7.521 447 HA TRP 58 HA TRP 58 -8.752 -7.677 -6.554 448 HB2 TRP 58 HB2 TRP 58 -9.512 -7.784 -9.467 449 HB3 TRP 58 HB1 TRP 58 -7.992 -8.183 -8.701 450 HD1 TRP 58 HD1 TRP 58 -9.524 -10.002 -6.388 451 HE1 TRP 58 HE1 TRP 58 -10.274 -12.367 -7.076 452 HE3 TRP 58 HE3 TRP 58 -9.533 -9.483 -11.469 453 HZ2 TRP 58 HZ2 TRP 58 -10.810 -13.847 -9.463 454 HZ3 TRP 58 HZ3 TRP 58 -10.169 -11.385 -12.924 455 HH2 TRP 58 HH2 TRP 58 -10.807 -13.565 -11.929 456 H SER 59 HN SER 59 -10.233 -6.254 -9.422 457 HA SER 59 HA SER 59 -9.225 -3.617 -8.626 458 HB2 SER 59 HB2 SER 59 -9.161 -4.534 -10.996 459 HB3 SER 59 HB1 SER 59 -10.905 -4.296 -11.049 460 HG SER 59 HG SER 59 -9.207 -2.210 -10.221 461 H ASP 60 HN ASP 60 -12.363 -5.205 -8.987 462 HA ASP 60 HA ASP 60 -14.118 -3.068 -8.890 463 HB2 ASP 60 HB2 ASP 60 -14.597 -5.622 -8.830 464 HB3 ASP 60 HB1 ASP 60 -14.545 -5.440 -7.078 465 H HIS 61 HN HIS 61 -12.001 -4.167 -6.294 466 HA HIS 61 HA HIS 61 -13.383 -2.492 -4.311 467 HB2 HIS 61 HB2 HIS 61 -10.857 -4.149 -4.179 468 HB3 HIS 61 HB1 HIS 61 -11.477 -3.192 -2.839 469 HD1 HIS 61 HD1 HIS 61 -14.547 -3.849 -3.623 470 HD2 HIS 61 HD2 HIS 61 -11.516 -6.598 -2.828 471 HE1 HIS 61 HE1 HIS 61 -15.692 -5.983 -2.887 472 H ALA 62 HN ALA 62 -11.813 -1.097 -2.945 473 HA ALA 62 HA ALA 62 -9.767 0.340 -4.544 474 HB1 ALA 62 HB1 ALA 62 -10.946 2.536 -4.026 475 HB2 ALA 62 HB2 ALA 62 -12.363 1.574 -3.608 476 HB3 ALA 62 HB3 ALA 62 -11.724 1.537 -5.253 477 H LEU 63 HN LEU 63 -8.472 1.808 -3.143 478 HA LEU 63 HA LEU 63 -8.628 0.994 -0.299 479 HB2 LEU 63 HB2 LEU 63 -6.476 2.595 -1.668 480 HB3 LEU 63 HB1 LEU 63 -6.382 1.829 -0.092 481 HG LEU 63 HG LEU 63 -5.196 0.402 -1.552 482 HD11 LEU 63 HD11 LEU 63 -6.958 -0.639 -0.032 483 HD12 LEU 63 HD12 LEU 63 -6.342 -1.651 -1.337 484 HD13 LEU 63 HD13 LEU 63 -7.914 -0.872 -1.495 485 HD21 LEU 63 HD21 LEU 63 -5.707 -0.103 -3.753 486 HD22 LEU 63 HD22 LEU 63 -6.519 1.457 -3.646 487 HD23 LEU 63 HD23 LEU 63 -7.447 -0.033 -3.486 488 H TRP 64 HN TRP 64 -9.654 2.324 1.122 489 HA TRP 64 HA TRP 64 -10.071 5.150 0.336 490 HB2 TRP 64 HB2 TRP 64 -11.585 3.369 1.838 491 HB3 TRP 64 HB1 TRP 64 -10.823 4.312 3.096 492 HD1 TRP 64 HD1 TRP 64 -12.289 5.404 -0.333 493 HE1 TRP 64 HE1 TRP 64 -13.937 7.337 0.101 494 HE3 TRP 64 HE3 TRP 64 -12.037 5.654 4.762 495 HZ2 TRP 64 HZ2 TRP 64 -15.009 8.796 2.316 496 HZ3 TRP 64 HZ3 TRP 64 -13.382 7.321 6.007 497 HH2 TRP 64 HH2 TRP 64 -14.867 8.892 4.792 498 H TRP 65 HN TRP 65 -8.721 6.759 1.003 499 HA TRP 65 HA TRP 65 -6.438 6.069 2.741 500 HB2 TRP 65 HB2 TRP 65 -6.305 7.469 0.609 501 HB3 TRP 65 HB1 TRP 65 -7.102 8.751 1.506 502 HD1 TRP 65 HD1 TRP 65 -5.123 7.326 4.100 503 HE1 TRP 65 HE1 TRP 65 -2.819 8.449 4.317 504 HE3 TRP 65 HE3 TRP 65 -4.892 9.752 -0.391 505 HZ2 TRP 65 HZ2 TRP 65 -1.103 10.161 2.798 506 HZ3 TRP 65 HZ3 TRP 65 -2.915 11.124 -0.975 507 HH2 TRP 65 HH2 TRP 65 -1.021 11.333 0.611 508 H GLU 66 HN GLU 66 -6.824 6.212 4.935 509 HA GLU 66 HA GLU 66 -9.001 7.673 6.069 510 HB2 GLU 66 HB2 GLU 66 -7.893 7.223 8.225 511 HB3 GLU 66 HB1 GLU 66 -7.923 5.789 7.202 512 HG2 GLU 66 HG2 GLU 66 -5.692 5.714 7.762 513 HG3 GLU 66 HG1 GLU 66 -5.545 6.809 6.397 514 H LYS 67 HN LYS 67 -5.873 8.750 5.006 515 HA LYS 67 HA LYS 67 -5.783 11.036 6.830 516 HB2 LYS 67 HB2 LYS 67 -3.803 9.854 5.800 517 HB3 LYS 67 HB1 LYS 67 -4.256 10.639 4.282 518 HG2 LYS 67 HG2 LYS 67 -4.187 12.840 5.473 519 HG3 LYS 67 HG1 LYS 67 -3.547 11.999 6.887 520 HD2 LYS 67 HD2 LYS 67 -1.561 11.363 5.739 521 HD3 LYS 67 HD1 LYS 67 -2.250 11.798 4.177 522 HE2 LYS 67 HE2 LYS 67 -2.143 14.126 4.654 523 HE3 LYS 67 HE1 LYS 67 -1.858 13.830 6.369 524 HZ1 LYS 67 HZ1 LYS 67 0.266 14.175 5.739 525 HZ2 LYS 67 HZ2 LYS 67 -0.005 13.709 4.127 526 HZ3 LYS 67 HZ3 LYS 67 0.194 12.530 5.334 527 H LYS 68 HN LYS 68 -6.128 10.786 3.263 528 HA LYS 68 HA LYS 68 -7.239 13.556 3.236 529 HB2 LYS 68 HB2 LYS 68 -6.172 11.715 1.081 530 HB3 LYS 68 HB1 LYS 68 -6.995 13.227 0.709 531 HG2 LYS 68 HG2 LYS 68 -4.719 13.257 2.684 532 HG3 LYS 68 HG1 LYS 68 -4.350 13.167 0.964 533 HD2 LYS 68 HD2 LYS 68 -6.314 15.246 1.913 534 HD3 LYS 68 HD1 LYS 68 -4.592 15.525 2.159 535 HE2 LYS 68 HE2 LYS 68 -4.164 15.264 -0.230 536 HE3 LYS 68 HE1 LYS 68 -5.855 14.857 -0.518 537 HZ1 LYS 68 HZ1 LYS 68 -5.401 17.178 -1.018 538 HZ2 LYS 68 HZ2 LYS 68 -4.860 17.435 0.572 539 HZ3 LYS 68 HZ3 LYS 68 -6.487 17.043 0.279 540 H ARG 69 HN ARG 69 -8.359 10.517 3.583 541 HA ARG 69 HA ARG 69 -10.415 9.470 3.141 542 HB2 ARG 69 HB2 ARG 69 -11.590 12.224 2.753 543 HB3 ARG 69 HB1 ARG 69 -12.307 10.816 3.538 544 HG2 ARG 69 HG2 ARG 69 -10.036 12.524 4.591 545 HG3 ARG 69 HG1 ARG 69 -11.665 12.398 5.257 546 HD2 ARG 69 HD2 ARG 69 -11.205 9.905 5.556 547 HD3 ARG 69 HD1 ARG 69 -9.516 10.273 5.205 548 HE ARG 69 HE ARG 69 -10.080 12.056 7.200 549 HH11 ARG 69 HH21 ARG 69 -10.639 8.680 6.770 550 HH12 ARG 69 HH22 ARG 69 -10.547 8.315 8.461 551 HH21 ARG 69 HH11 ARG 69 -9.958 11.599 9.408 552 HH22 ARG 69 HH12 ARG 69 -10.163 9.969 9.955 553 H THR 70 HN THR 70 -9.044 9.179 0.960 554 HA THR 70 HA THR 70 -10.905 9.847 -1.247 555 HB THR 70 HB THR 70 -8.871 11.504 -0.882 556 HG1 THR 70 HG1 THR 70 -9.407 10.375 -3.427 557 HG21 THR 70 HG21 THR 70 -6.817 10.874 -1.874 558 HG22 THR 70 HG22 THR 70 -7.530 9.461 -2.658 559 HG23 THR 70 HG23 THR 70 -7.274 9.465 -0.913 560 H TRP 71 HN TRP 71 -10.784 8.361 -2.957 561 HA TRP 71 HA TRP 71 -9.628 5.767 -2.270 562 HB2 TRP 71 HB2 TRP 71 -10.809 6.238 -4.977 563 HB3 TRP 71 HB1 TRP 71 -11.010 4.875 -3.890 564 HD1 TRP 71 HD1 TRP 71 -12.079 8.595 -4.088 565 HE1 TRP 71 HE1 TRP 71 -14.431 8.799 -3.059 566 HE3 TRP 71 HE3 TRP 71 -12.811 3.766 -2.591 567 HZ2 TRP 71 HZ2 TRP 71 -16.374 7.135 -1.783 568 HZ3 TRP 71 HZ3 TRP 71 -14.925 3.104 -1.485 569 HH2 TRP 71 HH2 TRP 71 -16.706 4.780 -1.077 570 H LEU 72 HN LEU 72 -8.052 4.698 -3.558 571 HA LEU 72 HA LEU 72 -6.295 6.518 -5.166 572 HB2 LEU 72 HB2 LEU 72 -5.397 3.810 -4.204 573 HB3 LEU 72 HB1 LEU 72 -4.462 5.288 -4.435 574 HG LEU 72 HG LEU 72 -6.509 4.898 -2.242 575 HD11 LEU 72 HD11 LEU 72 -3.523 5.008 -1.922 576 HD12 LEU 72 HD12 LEU 72 -4.389 3.485 -2.126 577 HD13 LEU 72 HD13 LEU 72 -4.740 4.520 -0.743 578 HD21 LEU 72 HD21 LEU 72 -5.243 6.960 -1.369 579 HD22 LEU 72 HD22 LEU 72 -6.318 7.223 -2.739 580 HD23 LEU 72 HD23 LEU 72 -4.578 7.104 -2.992 581 H LEU 73 HN LEU 73 -6.514 6.221 -7.341 582 HA LEU 73 HA LEU 73 -7.535 3.592 -8.330 583 HB2 LEU 73 HB2 LEU 73 -7.683 6.322 -9.618 584 HB3 LEU 73 HB1 LEU 73 -8.390 4.845 -10.238 585 HG LEU 73 HG LEU 73 -10.147 6.083 -9.164 586 HD11 LEU 73 HD11 LEU 73 -9.847 3.534 -8.716 587 HD12 LEU 73 HD12 LEU 73 -11.022 4.433 -7.758 588 HD13 LEU 73 HD13 LEU 73 -9.448 4.037 -7.071 589 HD21 LEU 73 HD21 LEU 73 -9.955 7.279 -7.232 590 HD22 LEU 73 HD22 LEU 73 -8.227 7.181 -7.543 591 HD23 LEU 73 HD23 LEU 73 -8.988 6.052 -6.430 592 H LYS 74 HN LYS 74 -5.959 6.174 -10.178 593 HA LYS 74 HA LYS 74 -4.691 4.396 -11.892 594 HB2 LYS 74 HB2 LYS 74 -3.665 6.224 -12.907 595 HB3 LYS 74 HB1 LYS 74 -5.154 6.848 -12.220 596 HG2 LYS 74 HG2 LYS 74 -2.594 7.026 -10.634 597 HG3 LYS 74 HG1 LYS 74 -2.930 8.181 -11.898 598 HD2 LYS 74 HD2 LYS 74 -3.799 9.209 -9.993 599 HD3 LYS 74 HD1 LYS 74 -5.213 8.533 -10.748 600 HE2 LYS 74 HE2 LYS 74 -5.645 7.299 -8.890 601 HE3 LYS 74 HE1 LYS 74 -4.030 6.609 -8.918 602 HZ1 LYS 74 HZ1 LYS 74 -4.365 7.835 -6.900 603 HZ2 LYS 74 HZ2 LYS 74 -4.794 9.230 -7.770 604 HZ3 LYS 74 HZ3 LYS 74 -3.207 8.629 -7.851 605 H THR 75 HN THR 75 -2.603 3.738 -12.246 606 HA THR 75 HA THR 75 -1.052 3.210 -9.807 607 HB THR 75 HB THR 75 -1.034 1.346 -11.234 608 HG1 THR 75 HG1 THR 75 1.073 1.397 -12.264 609 HG21 THR 75 HG21 THR 75 -0.550 1.671 -13.740 610 HG22 THR 75 HG22 THR 75 -0.865 3.383 -13.455 611 HG23 THR 75 HG23 THR 75 -2.129 2.190 -13.152 612 H HIS 76 HN HIS 76 -0.754 5.039 -12.809 613 HA HIS 76 HA HIS 76 1.822 5.941 -12.886 614 HB2 HIS 76 HB2 HIS 76 0.117 6.680 -14.466 615 HB3 HIS 76 HB1 HIS 76 -0.669 7.626 -13.201 616 HD1 HIS 76 HD1 HIS 76 -0.001 10.026 -13.179 617 HD2 HIS 76 HD2 HIS 76 3.016 7.621 -14.759 618 HE1 HIS 76 HE1 HIS 76 1.872 11.586 -13.867 619 H TRP 77 HN TRP 77 -0.415 6.616 -10.335 620 HA TRP 77 HA TRP 77 1.456 8.649 -9.167 621 HB2 TRP 77 HB2 TRP 77 -1.504 8.197 -8.929 622 HB3 TRP 77 HB1 TRP 77 -0.635 9.048 -7.662 623 HD1 TRP 77 HD1 TRP 77 -0.628 9.243 -11.534 624 HE1 TRP 77 HE1 TRP 77 -0.691 11.729 -12.207 625 HE3 TRP 77 HE3 TRP 77 -0.717 11.399 -6.910 626 HZ2 TRP 77 HZ2 TRP 77 -0.770 14.296 -10.948 627 HZ3 TRP 77 HZ3 TRP 77 -0.784 13.866 -6.675 628 HH2 TRP 77 HH2 TRP 77 -0.811 15.315 -8.686 629 H THR 78 HN THR 78 2.664 6.587 -8.583 630 HA THR 78 HA THR 78 1.864 4.596 -6.837 631 HB THR 78 HB THR 78 4.479 5.927 -6.220 632 HG1 THR 78 HG1 THR 78 5.224 4.963 -8.277 633 HG21 THR 78 HG21 THR 78 5.301 3.716 -6.198 634 HG22 THR 78 HG22 THR 78 3.935 3.118 -7.137 635 HG23 THR 78 HG23 THR 78 3.703 3.632 -5.470 636 H LEU 79 HN LEU 79 2.420 4.575 -4.352 637 HA LEU 79 HA LEU 79 0.909 6.731 -3.206 638 HB2 LEU 79 HB2 LEU 79 1.245 5.721 -1.113 639 HB3 LEU 79 HB1 LEU 79 0.966 4.464 -2.287 640 HG LEU 79 HG LEU 79 3.692 5.280 -1.267 641 HD11 LEU 79 HD11 LEU 79 3.356 3.863 0.458 642 HD12 LEU 79 HD12 LEU 79 2.782 2.590 -0.609 643 HD13 LEU 79 HD13 LEU 79 1.660 3.789 0.011 644 HD21 LEU 79 HD21 LEU 79 4.122 4.292 -3.348 645 HD22 LEU 79 HD22 LEU 79 2.703 3.246 -3.271 646 HD23 LEU 79 HD23 LEU 79 4.126 2.873 -2.310 647 H ASP 80 HN ASP 80 4.374 6.028 -3.376 648 HA ASP 80 HA ASP 80 5.115 8.303 -1.800 649 HB2 ASP 80 HB2 ASP 80 6.951 6.968 -2.138 650 HB3 ASP 80 HB1 ASP 80 6.473 6.504 -3.751 651 H LYS 81 HN LYS 81 4.402 7.856 -5.281 652 HA LYS 81 HA LYS 81 5.069 10.396 -6.260 653 HB2 LYS 81 HB2 LYS 81 3.173 8.301 -7.005 654 HB3 LYS 81 HB1 LYS 81 2.506 9.876 -7.369 655 HG2 LYS 81 HG2 LYS 81 3.639 9.446 -9.333 656 HG3 LYS 81 HG1 LYS 81 4.882 10.304 -8.466 657 HD2 LYS 81 HD2 LYS 81 6.265 8.503 -8.663 658 HD3 LYS 81 HD1 LYS 81 5.134 7.535 -7.740 659 HE2 LYS 81 HE2 LYS 81 5.500 6.486 -9.905 660 HE3 LYS 81 HE1 LYS 81 3.844 7.097 -9.806 661 HZ1 LYS 81 HZ1 LYS 81 4.450 7.947 -11.808 662 HZ2 LYS 81 HZ2 LYS 81 6.096 8.065 -11.402 663 HZ3 LYS 81 HZ3 LYS 81 4.990 9.216 -10.820 664 H TYR 82 HN TYR 82 2.198 9.385 -4.479 665 HA TYR 82 HA TYR 82 0.999 12.017 -4.446 666 HB2 TYR 82 HB2 TYR 82 0.092 9.514 -3.788 667 HB3 TYR 82 HB1 TYR 82 0.402 10.155 -2.179 668 HD1 TYR 82 HD1 TYR 82 -0.419 12.720 -1.887 669 HD2 TYR 82 HD2 TYR 82 -2.040 9.884 -4.680 670 HE1 TYR 82 HE1 TYR 82 -2.523 14.028 -1.998 671 HE2 TYR 82 HE2 TYR 82 -4.143 11.193 -4.788 672 HH TYR 82 HH TYR 82 -4.446 14.258 -3.894 673 H GLY 83 HN GLY 83 3.248 10.240 -2.392 674 HA2 GLY 83 HA2 GLY 83 4.981 11.622 -1.214 675 HA3 GLY 83 HA1 GLY 83 3.700 12.765 -0.797 676 H ILE 84 HN ILE 84 3.192 9.353 -0.839 677 HA ILE 84 HA ILE 84 2.552 9.400 2.064 678 HB ILE 84 HB ILE 84 1.814 7.807 -0.331 679 HG12 ILE 84 HG12 ILE 84 0.164 8.151 2.166 680 HG13 ILE 84 HG11 ILE 84 0.398 9.504 1.062 681 HG21 ILE 84 HG21 ILE 84 2.746 5.977 0.808 682 HG22 ILE 84 HG22 ILE 84 1.022 5.898 1.171 683 HG23 ILE 84 HG23 ILE 84 2.151 6.523 2.369 684 HD11 ILE 84 HD11 ILE 84 -1.661 7.923 0.697 685 HD12 ILE 84 HD12 ILE 84 -0.481 6.830 -0.014 686 HD13 ILE 84 HD13 ILE 84 -0.721 8.436 -0.703 687 H GLN 85 HN GLN 85 3.487 7.870 3.498 688 HA GLN 85 HA GLN 85 5.982 6.502 2.565 689 HB2 GLN 85 HB2 GLN 85 5.573 8.101 5.111 690 HB3 GLN 85 HB1 GLN 85 6.987 7.097 4.775 691 HG2 GLN 85 HG2 GLN 85 7.673 8.469 2.969 692 HG3 GLN 85 HG1 GLN 85 6.095 9.251 2.862 693 HE21 GLN 85 HE21 GLN 85 6.612 11.420 3.364 694 HE22 GLN 85 HE22 GLN 85 7.386 11.902 4.796 695 H ALA 86 HN ALA 86 6.535 5.395 5.129 696 HA ALA 86 HA ALA 86 4.566 3.234 5.142 697 HB1 ALA 86 HB1 ALA 86 6.116 2.080 6.437 698 HB2 ALA 86 HB2 ALA 86 6.684 3.539 7.252 699 HB3 ALA 86 HB3 ALA 86 7.172 3.211 5.594 700 H ASP 87 HN ASP 87 4.629 6.265 6.440 701 HA ASP 87 HA ASP 87 3.348 5.550 9.016 702 HB2 ASP 87 HB2 ASP 87 5.056 7.414 8.773 703 HB3 ASP 87 HB1 ASP 87 3.837 8.290 7.850 704 H ALA 88 HN ALA 88 2.328 5.477 6.036 705 HA ALA 88 HA ALA 88 -0.140 7.113 6.372 706 HB1 ALA 88 HB1 ALA 88 -0.593 6.315 4.024 707 HB2 ALA 88 HB2 ALA 88 0.957 5.472 4.073 708 HB3 ALA 88 HB3 ALA 88 0.905 7.233 4.197 709 H LYS 89 HN LYS 89 -1.954 6.183 7.188 710 HA LYS 89 HA LYS 89 -2.051 3.228 7.470 711 HB2 LYS 89 HB2 LYS 89 -3.556 5.553 8.661 712 HB3 LYS 89 HB1 LYS 89 -4.325 3.983 8.629 713 HG2 LYS 89 HG2 LYS 89 -3.118 4.322 10.750 714 HG3 LYS 89 HG1 LYS 89 -2.432 2.988 9.829 715 HD2 LYS 89 HD2 LYS 89 -0.652 4.425 10.742 716 HD3 LYS 89 HD1 LYS 89 -0.652 4.477 8.984 717 HE2 LYS 89 HE2 LYS 89 -0.455 6.721 10.262 718 HE3 LYS 89 HE1 LYS 89 -1.603 6.636 8.930 719 HZ1 LYS 89 HZ1 LYS 89 -2.401 7.626 11.116 720 HZ2 LYS 89 HZ2 LYS 89 -2.412 6.033 11.706 721 HZ3 LYS 89 HZ3 LYS 89 -3.393 6.460 10.386 722 H LEU 90 HN LEU 90 -2.656 2.348 5.465 723 HA LEU 90 HA LEU 90 -4.640 3.774 3.835 724 HB2 LEU 90 HB2 LEU 90 -3.292 1.102 3.419 725 HB3 LEU 90 HB1 LEU 90 -4.322 1.920 2.251 726 HG LEU 90 HG LEU 90 -1.745 3.045 3.390 727 HD11 LEU 90 HD11 LEU 90 -2.420 1.854 0.687 728 HD12 LEU 90 HD12 LEU 90 -1.313 1.185 1.885 729 HD13 LEU 90 HD13 LEU 90 -0.917 2.696 1.063 730 HD21 LEU 90 HD21 LEU 90 -3.874 4.132 1.551 731 HD22 LEU 90 HD22 LEU 90 -2.195 4.598 1.271 732 HD23 LEU 90 HD23 LEU 90 -2.961 4.960 2.815 733 H GLN 91 HN GLN 91 -6.370 2.409 2.904 734 HA GLN 91 HA GLN 91 -7.624 0.586 4.804 735 HB2 GLN 91 HB2 GLN 91 -9.321 2.679 3.575 736 HB3 GLN 91 HB1 GLN 91 -9.645 1.669 4.951 737 HG2 GLN 91 HG2 GLN 91 -8.092 2.854 6.331 738 HG3 GLN 91 HG1 GLN 91 -7.474 3.769 4.970 739 HE21 GLN 91 HE21 GLN 91 -8.583 5.650 4.374 740 HE22 GLN 91 HE22 GLN 91 -10.016 6.181 5.107 741 H PHE 92 HN PHE 92 -9.609 -0.327 3.675 742 HA PHE 92 HA PHE 92 -9.159 -0.688 0.772 743 HB2 PHE 92 HB2 PHE 92 -8.791 -2.699 2.629 744 HB3 PHE 92 HB1 PHE 92 -10.457 -2.931 2.187 745 HD1 PHE 92 HD2 PHE 92 -9.917 -1.904 -0.841 746 HD2 PHE 92 HD1 PHE 92 -8.179 -4.861 1.752 747 HE1 PHE 92 HE2 PHE 92 -9.191 -3.205 -2.806 748 HE2 PHE 92 HE1 PHE 92 -7.500 -6.175 -0.230 749 HZ PHE 92 HZ PHE 92 -7.996 -5.346 -2.505 750 H THR 93 HN THR 93 -11.131 -0.766 -0.341 751 HA THR 93 HA THR 93 -13.661 -0.788 1.081 752 HB THR 93 HB THR 93 -13.063 1.455 1.648 753 HG1 THR 93 HG1 THR 93 -14.602 2.610 0.228 754 HG21 THR 93 HG21 THR 93 -12.544 3.081 -0.225 755 HG22 THR 93 HG22 THR 93 -12.400 1.687 -1.288 756 HG23 THR 93 HG23 THR 93 -11.312 1.860 0.081 757 HA PRO 94 HA PRO 94 -15.125 -2.353 -2.797 758 HB2 PRO 94 HB2 PRO 94 -17.313 -0.306 -2.536 759 HB3 PRO 94 HB1 PRO 94 -17.433 -2.030 -2.945 760 HG2 PRO 94 HG2 PRO 94 -18.014 -1.117 -0.490 761 HG3 PRO 94 HG1 PRO 94 -17.266 -2.703 -0.753 762 HD2 PRO 94 HD2 PRO 94 -16.053 -0.237 0.382 763 HD3 PRO 94 HD1 PRO 94 -15.552 -1.933 0.568 Start of MODEL 20 1 H MET 1 HT1 MET 1 28.958 -2.252 16.494 2 HA MET 1 HA MET 1 27.044 -1.133 15.625 3 HB2 MET 1 HB2 MET 1 28.930 -2.187 13.500 4 HB3 MET 1 HB1 MET 1 27.851 -0.807 13.282 5 HG2 MET 1 HG2 MET 1 28.965 0.457 14.968 6 HG3 MET 1 HG1 MET 1 29.836 -0.957 15.553 7 HE1 MET 1 HE1 MET 1 29.995 2.144 13.649 8 HE2 MET 1 HE2 MET 1 29.176 1.237 12.380 9 HE3 MET 1 HE3 MET 1 30.815 1.827 12.114 10 H ALA 2 HN ALA 2 26.216 -1.465 12.887 11 HA ALA 2 HA ALA 2 25.031 -4.081 12.533 12 HB1 ALA 2 HB1 ALA 2 22.656 -3.142 12.692 13 HB2 ALA 2 HB2 ALA 2 23.367 -1.796 13.584 14 HB3 ALA 2 HB3 ALA 2 23.479 -3.436 14.223 15 H LEU 3 HN LEU 3 23.147 -1.404 11.703 16 HA LEU 3 HA LEU 3 23.353 -1.828 8.907 17 HB2 LEU 3 HB2 LEU 3 22.495 0.638 10.443 18 HB3 LEU 3 HB1 LEU 3 22.241 0.407 8.717 19 HG LEU 3 HG LEU 3 21.207 -1.496 10.837 20 HD11 LEU 3 HD11 LEU 3 20.110 0.616 11.194 21 HD12 LEU 3 HD12 LEU 3 18.981 -0.413 10.313 22 HD13 LEU 3 HD13 LEU 3 19.872 0.849 9.463 23 HD21 LEU 3 HD21 LEU 3 20.905 -1.250 7.844 24 HD22 LEU 3 HD22 LEU 3 19.610 -1.975 8.794 25 HD23 LEU 3 HD23 LEU 3 21.218 -2.687 8.815 26 H ASP 4 HN ASP 4 23.995 1.424 9.846 27 HA ASP 4 HA ASP 4 25.687 2.913 9.241 28 HB2 ASP 4 HB2 ASP 4 26.989 1.954 10.941 29 HB3 ASP 4 HB1 ASP 4 27.109 0.424 10.091 30 H GLY 5 HN GLY 5 24.770 0.417 7.357 31 HA2 GLY 5 HA2 GLY 5 26.835 0.680 5.266 32 HA3 GLY 5 HA1 GLY 5 25.412 -0.358 5.217 33 H ILE 6 HN ILE 6 24.143 2.298 6.315 34 HA ILE 6 HA ILE 6 22.554 3.076 4.213 35 HB ILE 6 HB ILE 6 23.846 4.978 6.174 36 HG12 ILE 6 HG12 ILE 6 21.358 3.260 6.436 37 HG13 ILE 6 HG11 ILE 6 22.865 3.030 7.317 38 HG21 ILE 6 HG21 ILE 6 21.811 6.313 5.869 39 HG22 ILE 6 HG22 ILE 6 21.153 5.098 4.775 40 HG23 ILE 6 HG23 ILE 6 22.566 6.039 4.302 41 HD11 ILE 6 HD11 ILE 6 21.445 4.211 8.816 42 HD12 ILE 6 HD12 ILE 6 20.910 5.320 7.553 43 HD13 ILE 6 HD13 ILE 6 22.557 5.423 8.177 44 H ARG 7 HN ARG 7 25.938 3.630 4.559 45 HA ARG 7 HA ARG 7 26.575 5.814 3.021 46 HB2 ARG 7 HB2 ARG 7 27.711 3.020 3.086 47 HB3 ARG 7 HB1 ARG 7 28.506 4.356 2.304 48 HG2 ARG 7 HG2 ARG 7 27.639 4.686 5.153 49 HG3 ARG 7 HG1 ARG 7 29.079 3.735 4.803 50 HD2 ARG 7 HD2 ARG 7 30.246 5.565 3.933 51 HD3 ARG 7 HD1 ARG 7 28.767 6.441 3.540 52 HE ARG 7 HE ARG 7 28.694 6.306 6.291 53 HH11 ARG 7 HH21 ARG 7 31.025 7.250 3.932 54 HH12 ARG 7 HH22 ARG 7 31.778 8.429 4.954 55 HH21 ARG 7 HH11 ARG 7 29.661 7.843 7.637 56 HH22 ARG 7 HH12 ARG 7 31.005 8.764 7.052 57 H MET 8 HN MET 8 26.097 2.534 1.905 58 HA MET 8 HA MET 8 24.974 3.437 -0.678 59 HB2 MET 8 HB2 MET 8 26.663 2.330 -1.948 60 HB3 MET 8 HB1 MET 8 27.540 3.123 -0.667 61 HG2 MET 8 HG2 MET 8 27.652 1.077 0.637 62 HG3 MET 8 HG1 MET 8 26.688 0.220 -0.556 63 HE1 MET 8 HE1 MET 8 29.656 -1.601 -1.757 64 HE2 MET 8 HE2 MET 8 27.915 -1.541 -1.496 65 HE3 MET 8 HE3 MET 8 29.010 -1.411 -0.122 66 HA PRO 9 HA PRO 9 22.388 -0.176 -0.451 67 HB2 PRO 9 HB2 PRO 9 24.152 -1.876 -2.194 68 HB3 PRO 9 HB1 PRO 9 22.397 -1.608 -2.286 69 HG2 PRO 9 HG2 PRO 9 23.947 -0.377 -3.988 70 HG3 PRO 9 HG1 PRO 9 22.659 0.534 -3.174 71 HD2 PRO 9 HD2 PRO 9 25.593 0.495 -2.561 72 HD3 PRO 9 HD1 PRO 9 24.494 1.896 -2.656 73 H ASP 10 HN ASP 10 25.351 -0.130 0.892 74 HA ASP 10 HA ASP 10 25.582 -2.927 1.751 75 HB2 ASP 10 HB2 ASP 10 27.603 -1.559 1.743 76 HB3 ASP 10 HB1 ASP 10 26.839 -0.358 2.785 77 H GLY 11 HN GLY 11 23.401 -0.630 2.207 78 HA2 GLY 11 HA2 GLY 11 21.953 -1.827 4.289 79 HA3 GLY 11 HA1 GLY 11 22.914 -0.541 5.026 80 H CYS 12 HN CYS 12 22.793 0.885 2.331 81 HA CYS 12 HA CYS 12 20.681 2.687 2.891 82 HB2 CYS 12 HB2 CYS 12 22.529 3.308 1.431 83 HB3 CYS 12 HB1 CYS 12 22.071 2.064 0.268 84 HG CYS 12 HG CYS 12 20.787 3.977 -0.717 85 H TYR 13 HN TYR 13 20.234 1.791 -0.332 86 HA TYR 13 HA TYR 13 17.531 0.759 0.284 87 HB2 TYR 13 HB2 TYR 13 18.946 1.697 -2.214 88 HB3 TYR 13 HB1 TYR 13 17.441 0.788 -2.331 89 HD1 TYR 13 HD1 TYR 13 15.454 1.628 -0.851 90 HD2 TYR 13 HD2 TYR 13 18.868 4.027 -1.878 91 HE1 TYR 13 HE1 TYR 13 14.160 3.684 -0.353 92 HE2 TYR 13 HE2 TYR 13 17.573 6.082 -1.379 93 HH TYR 13 HH TYR 13 15.677 6.896 -0.520 94 H ALA 14 HN ALA 14 16.830 -1.127 -1.257 95 HA ALA 14 HA ALA 14 18.842 -3.305 -0.933 96 HB1 ALA 14 HB1 ALA 14 15.849 -3.357 -1.410 97 HB2 ALA 14 HB2 ALA 14 16.686 -3.744 0.093 98 HB3 ALA 14 HB3 ALA 14 16.863 -4.797 -1.310 99 H ASP 15 HN ASP 15 16.418 -4.071 -3.137 100 HA ASP 15 HA ASP 15 18.364 -4.076 -5.355 101 HB2 ASP 15 HB2 ASP 15 16.905 -6.044 -4.929 102 HB3 ASP 15 HB1 ASP 15 15.491 -5.044 -5.264 103 H GLY 16 HN GLY 16 16.309 -1.821 -4.115 104 HA2 GLY 16 HA2 GLY 16 16.070 0.346 -5.219 105 HA3 GLY 16 HA1 GLY 16 15.993 -0.478 -6.774 106 H THR 17 HN THR 17 14.206 -2.546 -5.478 107 HA THR 17 HA THR 17 11.663 -1.058 -5.871 108 HB THR 17 HB THR 17 10.692 -3.418 -5.779 109 HG1 THR 17 HG1 THR 17 12.209 -4.549 -4.721 110 HG21 THR 17 HG21 THR 17 11.224 -3.866 -8.023 111 HG22 THR 17 HG22 THR 17 12.869 -3.255 -7.851 112 HG23 THR 17 HG23 THR 17 11.511 -2.132 -7.894 113 H TRP 18 HN TRP 18 9.827 -2.201 -4.288 114 HA TRP 18 HA TRP 18 10.906 -2.668 -1.597 115 HB2 TRP 18 HB2 TRP 18 9.427 -0.691 -0.699 116 HB3 TRP 18 HB1 TRP 18 11.053 -0.373 -1.279 117 HD1 TRP 18 HD1 TRP 18 11.309 1.387 -3.083 118 HE1 TRP 18 HE1 TRP 18 9.695 2.735 -4.589 119 HE3 TRP 18 HE3 TRP 18 6.898 -1.037 -2.116 120 HZ2 TRP 18 HZ2 TRP 18 6.958 2.814 -5.251 121 HZ3 TRP 18 HZ3 TRP 18 4.808 -0.284 -3.243 122 HH2 TRP 18 HH2 TRP 18 4.838 1.628 -4.790 123 H GLU 19 HN GLU 19 8.745 -2.334 -0.016 124 HA GLU 19 HA GLU 19 6.554 -3.843 -1.346 125 HB2 GLU 19 HB2 GLU 19 6.217 -5.086 0.721 126 HB3 GLU 19 HB1 GLU 19 7.866 -5.319 0.165 127 HG2 GLU 19 HG2 GLU 19 7.002 -3.356 2.305 128 HG3 GLU 19 HG1 GLU 19 7.784 -4.904 2.601 129 H LEU 20 HN LEU 20 4.710 -3.782 0.364 130 HA LEU 20 HA LEU 20 4.325 -1.046 1.444 131 HB2 LEU 20 HB2 LEU 20 3.180 -2.098 -0.985 132 HB3 LEU 20 HB1 LEU 20 1.875 -1.857 0.179 133 HG LEU 20 HG LEU 20 2.261 0.146 -1.232 134 HD11 LEU 20 HD11 LEU 20 3.152 0.886 1.542 135 HD12 LEU 20 HD12 LEU 20 1.551 0.198 1.281 136 HD13 LEU 20 HD13 LEU 20 2.010 1.703 0.484 137 HD21 LEU 20 HD21 LEU 20 4.286 1.175 -1.483 138 HD22 LEU 20 HD22 LEU 20 4.898 -0.417 -1.068 139 HD23 LEU 20 HD23 LEU 20 4.804 0.829 0.166 140 H SER 21 HN SER 21 2.634 -0.932 3.009 141 HA SER 21 HA SER 21 1.735 -3.544 4.110 142 HB2 SER 21 HB2 SER 21 1.738 -2.193 6.333 143 HB3 SER 21 HB1 SER 21 3.265 -2.774 5.692 144 HG SER 21 HG SER 21 2.521 -0.351 4.679 145 H VAL 22 HN VAL 22 -0.341 -3.774 4.336 146 HA VAL 22 HA VAL 22 -2.104 -1.374 4.128 147 HB VAL 22 HB VAL 22 -2.330 -4.093 2.886 148 HG11 VAL 22 HG11 VAL 22 -4.703 -2.472 3.845 149 HG12 VAL 22 HG12 VAL 22 -4.326 -4.138 4.290 150 HG13 VAL 22 HG13 VAL 22 -4.811 -3.750 2.641 151 HG21 VAL 22 HG21 VAL 22 -1.748 -2.095 1.574 152 HG22 VAL 22 HG22 VAL 22 -3.234 -1.306 2.109 153 HG23 VAL 22 HG23 VAL 22 -3.316 -2.733 1.078 154 H HIS 23 HN HIS 23 -4.014 -1.483 5.258 155 HA HIS 23 HA HIS 23 -4.115 -3.116 7.741 156 HB2 HIS 23 HB2 HIS 23 -3.253 -0.432 7.606 157 HB3 HIS 23 HB1 HIS 23 -4.903 -0.303 8.178 158 HD1 HIS 23 HD1 HIS 23 -5.476 -1.640 10.419 159 HD2 HIS 23 HD2 HIS 23 -1.417 -1.420 9.495 160 HE1 HIS 23 HE1 HIS 23 -4.226 -2.283 12.526 161 H VAL 24 HN VAL 24 -6.170 -3.912 7.968 162 HA VAL 24 HA VAL 24 -8.334 -2.672 6.403 163 HB VAL 24 HB VAL 24 -8.682 -5.137 8.068 164 HG11 VAL 24 HG11 VAL 24 -9.780 -4.479 5.323 165 HG12 VAL 24 HG12 VAL 24 -10.581 -3.955 6.801 166 HG13 VAL 24 HG13 VAL 24 -10.374 -5.675 6.469 167 HG21 VAL 24 HG21 VAL 24 -7.993 -6.351 5.874 168 HG22 VAL 24 HG22 VAL 24 -6.714 -5.732 6.912 169 HG23 VAL 24 HG23 VAL 24 -7.178 -4.840 5.464 170 H THR 25 HN THR 25 -9.122 -0.910 7.411 171 HA THR 25 HA THR 25 -9.540 -0.912 10.319 172 HB THR 25 HB THR 25 -8.868 1.195 9.366 173 HG1 THR 25 HG1 THR 25 -11.003 2.371 9.686 174 HG21 THR 25 HG21 THR 25 -10.473 2.285 7.672 175 HG22 THR 25 HG22 THR 25 -11.119 0.662 7.431 176 HG23 THR 25 HG23 THR 25 -9.424 0.999 7.078 177 H ASP 26 HN ASP 26 -11.752 -0.462 11.202 178 HA ASP 26 HA ASP 26 -14.052 -0.912 11.342 179 HB2 ASP 26 HB2 ASP 26 -14.234 -1.446 8.385 180 HB3 ASP 26 HB1 ASP 26 -15.370 -0.614 9.445 181 H VAL 27 HN VAL 27 -11.719 -2.971 10.035 182 HA VAL 27 HA VAL 27 -13.428 -5.380 10.566 183 HB VAL 27 HB VAL 27 -11.110 -5.309 8.630 184 HG11 VAL 27 HG11 VAL 27 -12.053 -7.476 9.659 185 HG12 VAL 27 HG12 VAL 27 -11.959 -7.412 7.899 186 HG13 VAL 27 HG13 VAL 27 -13.503 -7.157 8.708 187 HG21 VAL 27 HG21 VAL 27 -12.744 -3.722 7.777 188 HG22 VAL 27 HG22 VAL 27 -14.058 -4.856 8.083 189 HG23 VAL 27 HG23 VAL 27 -12.863 -5.206 6.834 190 H ASN 28 HN ASN 28 -10.383 -3.718 10.865 191 HA ASN 28 HA ASN 28 -8.755 -3.865 12.490 192 HB2 ASN 28 HB2 ASN 28 -10.898 -4.750 13.713 193 HB3 ASN 28 HB1 ASN 28 -10.035 -6.279 13.678 194 HD21 ASN 28 HD21 ASN 28 -10.637 -4.291 15.979 195 HD22 ASN 28 HD22 ASN 28 -9.122 -4.034 16.700 196 H ARG 29 HN ARG 29 -8.905 -5.733 10.011 197 HA ARG 29 HA ARG 29 -6.865 -7.743 10.919 198 HB2 ARG 29 HB2 ARG 29 -7.667 -7.796 8.049 199 HB3 ARG 29 HB1 ARG 29 -7.513 -9.121 9.204 200 HG2 ARG 29 HG2 ARG 29 -9.666 -8.446 10.245 201 HG3 ARG 29 HG1 ARG 29 -9.828 -7.183 9.027 202 HD2 ARG 29 HD2 ARG 29 -10.137 -8.723 7.280 203 HD3 ARG 29 HD1 ARG 29 -9.394 -10.043 8.179 204 HE ARG 29 HE ARG 29 -11.657 -9.376 9.659 205 HH11 ARG 29 HH21 ARG 29 -10.910 -10.272 6.413 206 HH12 ARG 29 HH22 ARG 29 -12.415 -11.089 6.152 207 HH21 ARG 29 HH11 ARG 29 -13.625 -10.445 9.336 208 HH22 ARG 29 HH12 ARG 29 -13.951 -11.188 7.806 209 H ASP 30 HN ASP 30 -5.203 -7.998 8.863 210 HA ASP 30 HA ASP 30 -4.539 -5.438 7.652 211 HB2 ASP 30 HB2 ASP 30 -2.070 -5.983 8.884 212 HB3 ASP 30 HB1 ASP 30 -3.179 -4.678 9.302 213 H VAL 31 HN VAL 31 -3.282 -5.694 5.908 214 HA VAL 31 HA VAL 31 -2.034 -8.331 5.375 215 HB VAL 31 HB VAL 31 -3.810 -6.928 3.354 216 HG11 VAL 31 HG11 VAL 31 -3.803 -9.237 2.363 217 HG12 VAL 31 HG12 VAL 31 -2.649 -9.715 3.604 218 HG13 VAL 31 HG13 VAL 31 -2.209 -8.487 2.417 219 HG21 VAL 31 HG21 VAL 31 -5.546 -8.607 3.910 220 HG22 VAL 31 HG22 VAL 31 -5.213 -7.547 5.278 221 HG23 VAL 31 HG23 VAL 31 -4.551 -9.182 5.248 222 H THR 32 HN THR 32 -0.427 -8.012 3.514 223 HA THR 32 HA THR 32 0.290 -5.125 3.159 224 HB THR 32 HB THR 32 2.627 -5.698 3.411 225 HG1 THR 32 HG1 THR 32 3.282 -7.748 3.759 226 HG21 THR 32 HG21 THR 32 2.667 -5.900 5.737 227 HG22 THR 32 HG22 THR 32 1.294 -7.006 5.756 228 HG23 THR 32 HG23 THR 32 1.040 -5.290 5.435 229 H LEU 33 HN LEU 33 1.218 -4.583 1.195 230 HA LEU 33 HA LEU 33 0.783 -6.588 -0.973 231 HB2 LEU 33 HB2 LEU 33 0.713 -3.590 -0.877 232 HB3 LEU 33 HB1 LEU 33 1.024 -4.400 -2.402 233 HG LEU 33 HG LEU 33 -1.355 -3.875 -2.101 234 HD11 LEU 33 HD11 LEU 33 -2.081 -5.803 -3.081 235 HD12 LEU 33 HD12 LEU 33 -1.309 -6.851 -1.900 236 HD13 LEU 33 HD13 LEU 33 -0.354 -6.109 -3.183 237 HD21 LEU 33 HD21 LEU 33 -1.049 -4.445 0.529 238 HD22 LEU 33 HD22 LEU 33 -1.733 -5.971 -0.029 239 HD23 LEU 33 HD23 LEU 33 -2.605 -4.464 -0.286 240 H ARG 34 HN ARG 34 2.396 -7.190 -2.207 241 HA ARG 34 HA ARG 34 5.075 -6.095 -1.733 242 HB2 ARG 34 HB2 ARG 34 5.465 -8.256 -3.417 243 HB3 ARG 34 HB1 ARG 34 5.625 -8.264 -1.673 244 HG2 ARG 34 HG2 ARG 34 4.160 -10.064 -2.295 245 HG3 ARG 34 HG1 ARG 34 3.234 -8.812 -1.470 246 HD2 ARG 34 HD2 ARG 34 1.947 -9.410 -3.402 247 HD3 ARG 34 HD1 ARG 34 2.710 -7.868 -3.768 248 HE ARG 34 HE ARG 34 3.979 -8.949 -5.437 249 HH11 ARG 34 HH21 ARG 34 2.558 -11.175 -3.218 250 HH12 ARG 34 HH22 ARG 34 3.030 -12.577 -4.118 251 HH21 ARG 34 HH11 ARG 34 4.603 -10.768 -6.623 252 HH22 ARG 34 HH12 ARG 34 4.188 -12.347 -6.045 253 H VAL 35 HN VAL 35 5.030 -4.205 -3.006 254 HA VAL 35 HA VAL 35 5.028 -4.692 -5.936 255 HB VAL 35 HB VAL 35 3.388 -2.872 -6.292 256 HG11 VAL 35 HG11 VAL 35 1.446 -4.174 -5.851 257 HG12 VAL 35 HG12 VAL 35 2.200 -4.970 -4.475 258 HG13 VAL 35 HG13 VAL 35 2.750 -5.325 -6.114 259 HG21 VAL 35 HG21 VAL 35 3.230 -1.449 -4.487 260 HG22 VAL 35 HG22 VAL 35 3.598 -2.712 -3.318 261 HG23 VAL 35 HG23 VAL 35 1.969 -2.561 -3.965 262 H THR 36 HN THR 36 5.009 -2.257 -6.939 263 HA THR 36 HA THR 36 7.067 -0.639 -5.503 264 HB THR 36 HB THR 36 8.126 -0.284 -7.809 265 HG1 THR 36 HG1 THR 36 7.764 -2.280 -9.103 266 HG21 THR 36 HG21 THR 36 9.253 -2.632 -7.666 267 HG22 THR 36 HG22 THR 36 8.259 -2.845 -6.227 268 HG23 THR 36 HG23 THR 36 9.425 -1.524 -6.307 269 H GLY 37 HN GLY 37 7.332 1.476 -6.928 270 HA2 GLY 37 HA2 GLY 37 4.837 2.838 -6.830 271 HA3 GLY 37 HA1 GLY 37 6.294 3.448 -7.602 272 H GLU 38 HN GLU 38 5.327 0.425 -8.797 273 HA GLU 38 HA GLU 38 4.343 1.731 -11.288 274 HB2 GLU 38 HB2 GLU 38 5.187 -0.183 -12.439 275 HB3 GLU 38 HB1 GLU 38 6.395 0.227 -11.224 276 HG2 GLU 38 HG2 GLU 38 6.209 -2.070 -10.880 277 HG3 GLU 38 HG1 GLU 38 5.052 -1.451 -9.701 278 H VAL 39 HN VAL 39 3.262 -0.327 -8.712 279 HA VAL 39 HA VAL 39 1.205 -1.660 -10.264 280 HB VAL 39 HB VAL 39 1.970 -2.712 -8.212 281 HG11 VAL 39 HG11 VAL 39 1.361 -1.676 -6.020 282 HG12 VAL 39 HG12 VAL 39 0.906 -0.223 -6.882 283 HG13 VAL 39 HG13 VAL 39 2.570 -0.766 -6.908 284 HG21 VAL 39 HG21 VAL 39 -0.160 -3.252 -7.262 285 HG22 VAL 39 HG22 VAL 39 -0.448 -2.908 -8.966 286 HG23 VAL 39 HG23 VAL 39 -0.843 -1.700 -7.742 287 H HIS 40 HN HIS 40 -0.867 -1.043 -10.634 288 HA HIS 40 HA HIS 40 -1.549 1.747 -10.276 289 HB2 HIS 40 HB2 HIS 40 -3.033 -0.683 -11.285 290 HB3 HIS 40 HB1 HIS 40 -3.854 0.861 -11.081 291 HD1 HIS 40 HD1 HIS 40 -2.218 2.942 -12.214 292 HD2 HIS 40 HD2 HIS 40 -2.077 -0.887 -13.856 293 HE1 HIS 40 HE1 HIS 40 -1.297 3.202 -14.559 294 H ILE 41 HN ILE 41 -3.121 2.620 -8.842 295 HA ILE 41 HA ILE 41 -3.334 1.460 -6.264 296 HB ILE 41 HB ILE 41 -5.389 3.239 -7.576 297 HG12 ILE 41 HG12 ILE 41 -2.866 4.049 -6.113 298 HG13 ILE 41 HG11 ILE 41 -3.044 4.100 -7.862 299 HG21 ILE 41 HG21 ILE 41 -4.534 3.240 -4.689 300 HG22 ILE 41 HG22 ILE 41 -5.777 2.129 -5.265 301 HG23 ILE 41 HG23 ILE 41 -6.018 3.867 -5.409 302 HD11 ILE 41 HD11 ILE 41 -3.671 6.166 -6.143 303 HD12 ILE 41 HD12 ILE 41 -5.249 5.452 -6.467 304 HD13 ILE 41 HD13 ILE 41 -4.235 5.991 -7.798 305 H GLY 42 HN GLY 42 -5.704 1.600 -8.909 306 HA2 GLY 42 HA2 GLY 42 -7.561 -0.241 -7.779 307 HA3 GLY 42 HA1 GLY 42 -7.401 0.099 -9.505 308 H GLY 43 HN GLY 43 -4.361 -0.694 -8.627 309 HA2 GLY 43 HA2 GLY 43 -4.736 -3.558 -9.402 310 HA3 GLY 43 HA1 GLY 43 -3.244 -2.631 -9.613 311 H VAL 44 HN VAL 44 -3.508 -1.355 -6.999 312 HA VAL 44 HA VAL 44 -2.032 -3.215 -5.415 313 HB VAL 44 HB VAL 44 -3.294 -0.543 -5.118 314 HG11 VAL 44 HG11 VAL 44 -4.297 -1.356 -3.148 315 HG12 VAL 44 HG12 VAL 44 -2.810 -0.593 -2.585 316 HG13 VAL 44 HG13 VAL 44 -2.902 -2.344 -2.740 317 HG21 VAL 44 HG21 VAL 44 -1.100 -0.063 -3.994 318 HG22 VAL 44 HG22 VAL 44 -0.945 -0.709 -5.624 319 HG23 VAL 44 HG23 VAL 44 -0.661 -1.753 -4.235 320 H MET 45 HN MET 45 -5.462 -2.336 -5.573 321 HA MET 45 HA MET 45 -6.315 -3.994 -3.403 322 HB2 MET 45 HB2 MET 45 -8.341 -3.852 -5.501 323 HB3 MET 45 HB1 MET 45 -8.346 -3.121 -3.904 324 HG2 MET 45 HG2 MET 45 -6.994 -1.242 -4.755 325 HG3 MET 45 HG1 MET 45 -6.999 -1.977 -6.357 326 HE1 MET 45 HE1 MET 45 -8.652 0.526 -4.101 327 HE2 MET 45 HE2 MET 45 -9.218 -0.987 -3.397 328 HE3 MET 45 HE3 MET 45 -10.375 0.123 -4.127 329 H LEU 46 HN LEU 46 -5.970 -4.640 -6.885 330 HA LEU 46 HA LEU 46 -6.965 -7.328 -6.720 331 HB2 LEU 46 HB2 LEU 46 -4.893 -6.313 -8.681 332 HB3 LEU 46 HB1 LEU 46 -6.011 -7.655 -8.911 333 HG LEU 46 HG LEU 46 -6.877 -4.782 -8.505 334 HD11 LEU 46 HD11 LEU 46 -5.572 -5.323 -10.669 335 HD12 LEU 46 HD12 LEU 46 -7.159 -4.581 -10.851 336 HD13 LEU 46 HD13 LEU 46 -6.962 -6.314 -11.108 337 HD21 LEU 46 HD21 LEU 46 -9.017 -5.789 -9.539 338 HD22 LEU 46 HD22 LEU 46 -8.655 -6.226 -7.872 339 HD23 LEU 46 HD23 LEU 46 -8.308 -7.361 -9.175 340 H LYS 47 HN LYS 47 -3.595 -6.154 -6.949 341 HA LYS 47 HA LYS 47 -2.341 -8.595 -6.472 342 HB2 LYS 47 HB2 LYS 47 -1.248 -6.346 -6.936 343 HB3 LYS 47 HB1 LYS 47 -1.461 -5.972 -5.242 344 HG2 LYS 47 HG2 LYS 47 0.686 -6.880 -5.212 345 HG3 LYS 47 HG1 LYS 47 -0.300 -8.295 -4.853 346 HD2 LYS 47 HD2 LYS 47 1.015 -9.157 -6.576 347 HD3 LYS 47 HD1 LYS 47 -0.335 -8.531 -7.520 348 HE2 LYS 47 HE2 LYS 47 1.434 -7.580 -8.679 349 HE3 LYS 47 HE1 LYS 47 1.137 -6.303 -7.499 350 HZ1 LYS 47 HZ1 LYS 47 2.838 -7.291 -6.079 351 HZ2 LYS 47 HZ2 LYS 47 3.475 -6.865 -7.596 352 HZ3 LYS 47 HZ3 LYS 47 3.132 -8.491 -7.241 353 H LEU 48 HN LEU 48 -4.128 -6.558 -4.316 354 HA LEU 48 HA LEU 48 -3.330 -8.039 -1.905 355 HB2 LEU 48 HB2 LEU 48 -3.777 -5.746 -1.568 356 HB3 LEU 48 HB1 LEU 48 -5.247 -5.801 -2.491 357 HG LEU 48 HG LEU 48 -6.372 -7.052 -0.772 358 HD11 LEU 48 HD11 LEU 48 -3.589 -7.294 0.375 359 HD12 LEU 48 HD12 LEU 48 -4.751 -8.571 0.048 360 HD13 LEU 48 HD13 LEU 48 -5.008 -7.478 1.402 361 HD21 LEU 48 HD21 LEU 48 -6.395 -5.409 0.957 362 HD22 LEU 48 HD22 LEU 48 -5.971 -4.539 -0.520 363 HD23 LEU 48 HD23 LEU 48 -4.718 -4.958 0.649 364 H VAL 49 HN VAL 49 -6.406 -7.496 -3.677 365 HA VAL 49 HA VAL 49 -7.872 -9.490 -2.268 366 HB VAL 49 HB VAL 49 -8.157 -8.565 -5.145 367 HG11 VAL 49 HG11 VAL 49 -10.006 -10.129 -3.325 368 HG12 VAL 49 HG12 VAL 49 -9.327 -10.660 -4.864 369 HG13 VAL 49 HG13 VAL 49 -10.529 -9.369 -4.828 370 HG21 VAL 49 HG21 VAL 49 -9.884 -7.711 -2.822 371 HG22 VAL 49 HG22 VAL 49 -9.581 -6.876 -4.344 372 HG23 VAL 49 HG23 VAL 49 -8.336 -6.908 -3.095 373 H GLU 50 HN GLU 50 -5.779 -9.632 -5.102 374 HA GLU 50 HA GLU 50 -6.175 -12.389 -5.716 375 HB2 GLU 50 HB2 GLU 50 -3.802 -10.550 -6.108 376 HB3 GLU 50 HB1 GLU 50 -3.877 -12.192 -6.753 377 HG2 GLU 50 HG2 GLU 50 -5.854 -11.656 -8.039 378 HG3 GLU 50 HG1 GLU 50 -5.959 -10.068 -7.304 379 H LYS 51 HN LYS 51 -3.833 -10.716 -3.560 380 HA LYS 51 HA LYS 51 -2.427 -13.030 -2.715 381 HB2 LYS 51 HB2 LYS 51 -2.891 -10.284 -1.696 382 HB3 LYS 51 HB1 LYS 51 -2.461 -11.449 -0.459 383 HG2 LYS 51 HG2 LYS 51 -0.464 -12.099 -1.780 384 HG3 LYS 51 HG1 LYS 51 -0.906 -10.909 -3.002 385 HD2 LYS 51 HD2 LYS 51 0.812 -10.012 -1.477 386 HD3 LYS 51 HD1 LYS 51 -0.691 -9.102 -1.355 387 HE2 LYS 51 HE2 LYS 51 0.579 -9.894 0.835 388 HE3 LYS 51 HE1 LYS 51 -1.181 -9.942 0.766 389 HZ1 LYS 51 HZ1 LYS 51 0.324 -12.278 -0.167 390 HZ2 LYS 51 HZ2 LYS 51 -1.203 -12.200 0.572 391 HZ3 LYS 51 HZ3 LYS 51 0.204 -12.017 1.504 392 H LEU 52 HN LEU 52 -5.185 -11.405 -1.056 393 HA LEU 52 HA LEU 52 -5.608 -13.447 0.864 394 HB2 LEU 52 HB2 LEU 52 -7.606 -11.601 -0.474 395 HB3 LEU 52 HB1 LEU 52 -7.966 -12.579 0.947 396 HG LEU 52 HG LEU 52 -5.700 -10.567 0.821 397 HD11 LEU 52 HD11 LEU 52 -7.108 -9.012 1.992 398 HD12 LEU 52 HD12 LEU 52 -8.385 -10.214 2.173 399 HD13 LEU 52 HD13 LEU 52 -8.011 -9.557 0.579 400 HD21 LEU 52 HD21 LEU 52 -6.163 -10.807 3.426 401 HD22 LEU 52 HD22 LEU 52 -5.164 -11.990 2.593 402 HD23 LEU 52 HD23 LEU 52 -6.849 -12.360 2.954 403 H ASP 53 HN ASP 53 -7.661 -14.898 0.834 404 HA ASP 53 HA ASP 53 -8.174 -16.028 -1.885 405 HB2 ASP 53 HB2 ASP 53 -7.287 -17.603 0.554 406 HB3 ASP 53 HB1 ASP 53 -7.880 -18.323 -0.943 407 H VAL 54 HN VAL 54 -10.173 -14.686 -1.216 408 HA VAL 54 HA VAL 54 -12.143 -16.561 -0.027 409 HB VAL 54 HB VAL 54 -11.934 -13.682 0.895 410 HG11 VAL 54 HG11 VAL 54 -13.608 -16.058 1.749 411 HG12 VAL 54 HG12 VAL 54 -14.187 -14.547 1.049 412 HG13 VAL 54 HG13 VAL 54 -13.498 -14.560 2.672 413 HG21 VAL 54 HG21 VAL 54 -11.198 -14.733 3.071 414 HG22 VAL 54 HG22 VAL 54 -10.011 -14.848 1.772 415 HG23 VAL 54 HG23 VAL 54 -10.994 -16.250 2.196 416 H LYS 55 HN LYS 55 -13.181 -13.305 -0.236 417 HA LYS 55 HA LYS 55 -13.766 -13.243 -3.069 418 HB2 LYS 55 HB2 LYS 55 -15.363 -15.018 -2.090 419 HB3 LYS 55 HB1 LYS 55 -16.177 -13.670 -1.296 420 HG2 LYS 55 HG2 LYS 55 -16.587 -12.597 -3.452 421 HG3 LYS 55 HG1 LYS 55 -15.677 -13.861 -4.282 422 HD2 LYS 55 HD2 LYS 55 -17.296 -15.544 -3.605 423 HD3 LYS 55 HD1 LYS 55 -18.165 -14.362 -2.626 424 HE2 LYS 55 HE2 LYS 55 -18.477 -13.016 -4.778 425 HE3 LYS 55 HE1 LYS 55 -17.915 -14.450 -5.638 426 HZ1 LYS 55 HZ1 LYS 55 -20.349 -14.108 -4.010 427 HZ2 LYS 55 HZ2 LYS 55 -19.693 -15.654 -4.265 428 HZ3 LYS 55 HZ3 LYS 55 -20.199 -14.714 -5.586 429 H LYS 56 HN LYS 56 -12.583 -11.331 -1.505 430 HA LYS 56 HA LYS 56 -14.611 -9.405 -0.590 431 HB2 LYS 56 HB2 LYS 56 -11.638 -9.630 -0.506 432 HB3 LYS 56 HB1 LYS 56 -12.258 -7.991 -0.563 433 HG2 LYS 56 HG2 LYS 56 -12.110 -8.452 1.746 434 HG3 LYS 56 HG1 LYS 56 -13.812 -8.705 1.391 435 HD2 LYS 56 HD2 LYS 56 -13.350 -10.657 2.567 436 HD3 LYS 56 HD1 LYS 56 -13.018 -11.200 0.922 437 HE2 LYS 56 HE2 LYS 56 -11.106 -11.902 2.121 438 HE3 LYS 56 HE1 LYS 56 -10.582 -10.384 1.396 439 HZ1 LYS 56 HZ1 LYS 56 -10.695 -9.287 3.381 440 HZ2 LYS 56 HZ2 LYS 56 -10.234 -10.830 3.920 441 HZ3 LYS 56 HZ3 LYS 56 -11.855 -10.335 4.038 442 H ASP 57 HN ASP 57 -14.929 -7.338 -1.563 443 HA ASP 57 HA ASP 57 -14.790 -7.400 -4.478 444 HB2 ASP 57 HB2 ASP 57 -15.595 -4.991 -2.866 445 HB3 ASP 57 HB1 ASP 57 -16.217 -5.542 -4.419 446 H TRP 58 HN TRP 58 -13.674 -5.787 -5.770 447 HA TRP 58 HA TRP 58 -11.171 -4.835 -4.505 448 HB2 TRP 58 HB2 TRP 58 -10.958 -4.358 -7.214 449 HB3 TRP 58 HB1 TRP 58 -10.455 -5.834 -6.445 450 HD1 TRP 58 HD1 TRP 58 -12.516 -7.755 -6.253 451 HE1 TRP 58 HE1 TRP 58 -14.208 -8.400 -8.089 452 HE3 TRP 58 HE3 TRP 58 -12.216 -3.612 -9.224 453 HZ2 TRP 58 HZ2 TRP 58 -15.291 -7.302 -10.499 454 HZ3 TRP 58 HZ3 TRP 58 -13.588 -3.437 -11.281 455 HH2 TRP 58 HH2 TRP 58 -15.123 -5.276 -11.922 456 H SER 59 HN SER 59 -12.577 -3.477 -7.349 457 HA SER 59 HA SER 59 -12.133 -0.801 -6.875 458 HB2 SER 59 HB2 SER 59 -14.233 -0.370 -8.276 459 HB3 SER 59 HB1 SER 59 -13.013 -1.415 -8.996 460 HG SER 59 HG SER 59 -15.322 -2.257 -7.567 461 H ASP 60 HN ASP 60 -15.236 -2.409 -6.012 462 HA ASP 60 HA ASP 60 -16.466 -0.238 -4.757 463 HB2 ASP 60 HB2 ASP 60 -17.392 -2.605 -5.098 464 HB3 ASP 60 HB1 ASP 60 -16.569 -3.024 -3.598 465 H HIS 61 HN HIS 61 -14.069 -2.482 -3.351 466 HA HIS 61 HA HIS 61 -14.115 -1.210 -0.763 467 HB2 HIS 61 HB2 HIS 61 -12.073 -3.015 -2.069 468 HB3 HIS 61 HB1 HIS 61 -12.010 -2.484 -0.394 469 HD1 HIS 61 HD1 HIS 61 -12.256 -5.419 -0.615 470 HD2 HIS 61 HD2 HIS 61 -15.628 -2.971 -0.753 471 HE1 HIS 61 HE1 HIS 61 -14.229 -6.872 0.023 472 H ALA 62 HN ALA 62 -11.821 -0.421 0.062 473 HA ALA 62 HA ALA 62 -10.361 1.177 -1.946 474 HB1 ALA 62 HB1 ALA 62 -11.986 2.497 0.243 475 HB2 ALA 62 HB2 ALA 62 -12.331 2.582 -1.487 476 HB3 ALA 62 HB3 ALA 62 -10.867 3.324 -0.841 477 H LEU 63 HN LEU 63 -8.555 2.403 -0.904 478 HA LEU 63 HA LEU 63 -7.606 1.040 1.557 479 HB2 LEU 63 HB2 LEU 63 -5.990 2.577 -0.470 480 HB3 LEU 63 HB1 LEU 63 -5.366 1.592 0.840 481 HG LEU 63 HG LEU 63 -5.139 0.322 -1.149 482 HD11 LEU 63 HD11 LEU 63 -7.646 -0.774 0.099 483 HD12 LEU 63 HD12 LEU 63 -6.086 -0.792 0.926 484 HD13 LEU 63 HD13 LEU 63 -6.288 -1.656 -0.599 485 HD21 LEU 63 HD21 LEU 63 -6.657 0.117 -2.880 486 HD22 LEU 63 HD22 LEU 63 -7.121 1.716 -2.287 487 HD23 LEU 63 HD23 LEU 63 -8.058 0.297 -1.820 488 H TRP 64 HN TRP 64 -7.775 2.314 3.414 489 HA TRP 64 HA TRP 64 -7.868 5.266 3.011 490 HB2 TRP 64 HB2 TRP 64 -9.123 3.739 4.877 491 HB3 TRP 64 HB1 TRP 64 -7.668 4.107 5.780 492 HD1 TRP 64 HD1 TRP 64 -7.026 6.974 5.253 493 HE1 TRP 64 HE1 TRP 64 -8.632 8.908 5.822 494 HE3 TRP 64 HE3 TRP 64 -11.453 4.431 5.400 495 HZ2 TRP 64 HZ2 TRP 64 -11.424 9.323 6.279 496 HZ3 TRP 64 HZ3 TRP 64 -13.568 5.621 5.905 497 HH2 TRP 64 HH2 TRP 64 -13.560 8.061 6.344 498 H TRP 65 HN TRP 65 -6.065 6.577 3.285 499 HA TRP 65 HA TRP 65 -3.577 5.264 4.322 500 HB2 TRP 65 HB2 TRP 65 -3.549 5.595 1.903 501 HB3 TRP 65 HB1 TRP 65 -3.912 7.292 2.126 502 HD1 TRP 65 HD1 TRP 65 -1.717 7.683 0.684 503 HE1 TRP 65 HE1 TRP 65 0.738 7.941 1.379 504 HE3 TRP 65 HE3 TRP 65 -1.783 5.494 5.370 505 HZ2 TRP 65 HZ2 TRP 65 2.430 7.358 3.566 506 HZ3 TRP 65 HZ3 TRP 65 0.268 5.395 6.699 507 HH2 TRP 65 HH2 TRP 65 2.380 6.315 5.814 508 H GLU 66 HN GLU 66 -3.132 6.160 6.259 509 HA GLU 66 HA GLU 66 -4.136 8.407 7.459 510 HB2 GLU 66 HB2 GLU 66 -1.301 7.475 7.872 511 HB3 GLU 66 HB1 GLU 66 -2.425 8.133 9.041 512 HG2 GLU 66 HG2 GLU 66 -3.912 6.109 8.555 513 HG3 GLU 66 HG1 GLU 66 -2.504 5.420 7.746 514 H LYS 67 HN LYS 67 -1.765 8.424 4.879 515 HA LYS 67 HA LYS 67 -0.118 10.549 5.255 516 HB2 LYS 67 HB2 LYS 67 -0.187 9.532 3.133 517 HB3 LYS 67 HB1 LYS 67 -1.870 9.976 2.875 518 HG2 LYS 67 HG2 LYS 67 -1.349 12.218 2.468 519 HG3 LYS 67 HG1 LYS 67 0.186 12.120 3.332 520 HD2 LYS 67 HD2 LYS 67 1.257 10.980 1.566 521 HD3 LYS 67 HD1 LYS 67 -0.273 10.531 0.818 522 HE2 LYS 67 HE2 LYS 67 -0.663 12.727 0.026 523 HE3 LYS 67 HE1 LYS 67 0.529 13.417 1.128 524 HZ1 LYS 67 HZ1 LYS 67 1.364 11.448 -0.894 525 HZ2 LYS 67 HZ2 LYS 67 2.275 12.673 -0.147 526 HZ3 LYS 67 HZ3 LYS 67 1.136 13.067 -1.344 527 H LYS 68 HN LYS 68 -3.554 11.003 4.345 528 HA LYS 68 HA LYS 68 -3.641 13.468 5.939 529 HB2 LYS 68 HB2 LYS 68 -4.217 14.953 4.119 530 HB3 LYS 68 HB1 LYS 68 -2.696 14.164 3.700 531 HG2 LYS 68 HG2 LYS 68 -4.148 12.415 2.478 532 HG3 LYS 68 HG1 LYS 68 -5.459 13.584 2.633 533 HD2 LYS 68 HD2 LYS 68 -2.772 14.186 1.360 534 HD3 LYS 68 HD1 LYS 68 -4.232 13.779 0.460 535 HE2 LYS 68 HE2 LYS 68 -4.218 16.137 0.447 536 HE3 LYS 68 HE1 LYS 68 -5.331 15.744 1.756 537 HZ1 LYS 68 HZ1 LYS 68 -2.833 15.772 2.900 538 HZ2 LYS 68 HZ2 LYS 68 -4.038 16.958 3.060 539 HZ3 LYS 68 HZ3 LYS 68 -2.843 17.113 1.862 540 H ARG 69 HN ARG 69 -4.932 10.793 5.723 541 HA ARG 69 HA ARG 69 -7.074 9.898 6.003 542 HB2 ARG 69 HB2 ARG 69 -8.146 12.722 6.118 543 HB3 ARG 69 HB1 ARG 69 -8.752 11.284 6.933 544 HG2 ARG 69 HG2 ARG 69 -6.225 12.831 7.563 545 HG3 ARG 69 HG1 ARG 69 -7.624 12.583 8.603 546 HD2 ARG 69 HD2 ARG 69 -7.124 10.094 8.504 547 HD3 ARG 69 HD1 ARG 69 -5.597 10.511 7.723 548 HE ARG 69 HE ARG 69 -5.704 12.066 10.055 549 HH11 ARG 69 HH21 ARG 69 -5.800 8.746 9.138 550 HH12 ARG 69 HH22 ARG 69 -5.039 8.184 10.589 551 HH21 ARG 69 HH11 ARG 69 -4.710 11.354 11.958 552 HH22 ARG 69 HH12 ARG 69 -4.422 9.662 12.187 553 H THR 70 HN THR 70 -6.592 9.455 3.626 554 HA THR 70 HA THR 70 -8.873 10.439 2.023 555 HB THR 70 HB THR 70 -6.621 11.783 1.723 556 HG1 THR 70 HG1 THR 70 -8.057 12.355 0.289 557 HG21 THR 70 HG21 THR 70 -5.347 9.583 1.348 558 HG22 THR 70 HG22 THR 70 -5.053 10.874 0.180 559 HG23 THR 70 HG23 THR 70 -6.122 9.532 -0.238 560 H TRP 71 HN TRP 71 -9.576 8.905 0.571 561 HA TRP 71 HA TRP 71 -8.347 6.228 0.784 562 HB2 TRP 71 HB2 TRP 71 -10.785 6.711 -0.890 563 HB3 TRP 71 HB1 TRP 71 -10.408 5.374 0.184 564 HD1 TRP 71 HD1 TRP 71 -10.700 5.810 2.841 565 HE1 TRP 71 HE1 TRP 71 -12.292 7.396 4.099 566 HE3 TRP 71 HE3 TRP 71 -12.000 8.962 -0.963 567 HZ2 TRP 71 HZ2 TRP 71 -13.905 9.697 3.569 568 HZ3 TRP 71 HZ3 TRP 71 -13.565 10.841 -0.557 569 HH2 TRP 71 HH2 TRP 71 -14.518 11.212 1.702 570 H LEU 72 HN LEU 72 -7.807 5.065 -1.167 571 HA LEU 72 HA LEU 72 -6.851 6.856 -3.350 572 HB2 LEU 72 HB2 LEU 72 -6.171 3.928 -3.117 573 HB3 LEU 72 HB1 LEU 72 -5.197 5.256 -3.762 574 HG LEU 72 HG LEU 72 -5.904 4.876 -0.838 575 HD11 LEU 72 HD11 LEU 72 -3.199 4.605 -2.121 576 HD12 LEU 72 HD12 LEU 72 -4.282 3.229 -1.902 577 HD13 LEU 72 HD13 LEU 72 -3.702 4.126 -0.500 578 HD21 LEU 72 HD21 LEU 72 -5.624 7.227 -1.385 579 HD22 LEU 72 HD22 LEU 72 -4.159 6.876 -2.303 580 HD23 LEU 72 HD23 LEU 72 -4.171 6.675 -0.551 581 H LEU 73 HN LEU 73 -8.275 7.035 -5.015 582 HA LEU 73 HA LEU 73 -10.137 4.787 -5.564 583 HB2 LEU 73 HB2 LEU 73 -10.656 7.266 -7.056 584 HB3 LEU 73 HB1 LEU 73 -11.712 6.364 -5.983 585 HG LEU 73 HG LEU 73 -9.538 8.252 -5.026 586 HD11 LEU 73 HD11 LEU 73 -12.509 8.656 -5.399 587 HD12 LEU 73 HD12 LEU 73 -11.205 9.522 -6.212 588 HD13 LEU 73 HD13 LEU 73 -11.467 9.744 -4.482 589 HD21 LEU 73 HD21 LEU 73 -10.496 6.282 -3.546 590 HD22 LEU 73 HD22 LEU 73 -11.926 7.302 -3.440 591 HD23 LEU 73 HD23 LEU 73 -10.373 7.898 -2.856 592 H LYS 74 HN LYS 74 -8.892 7.241 -7.837 593 HA LYS 74 HA LYS 74 -9.032 5.504 -10.008 594 HB2 LYS 74 HB2 LYS 74 -8.096 7.187 -11.321 595 HB3 LYS 74 HB1 LYS 74 -8.938 8.010 -10.021 596 HG2 LYS 74 HG2 LYS 74 -6.001 7.410 -9.775 597 HG3 LYS 74 HG1 LYS 74 -6.550 8.797 -10.681 598 HD2 LYS 74 HD2 LYS 74 -6.221 9.677 -8.546 599 HD3 LYS 74 HD1 LYS 74 -7.945 9.405 -8.577 600 HE2 LYS 74 HE2 LYS 74 -7.768 8.029 -6.782 601 HE3 LYS 74 HE1 LYS 74 -6.590 7.028 -7.613 602 HZ1 LYS 74 HZ1 LYS 74 -5.417 7.829 -5.827 603 HZ2 LYS 74 HZ2 LYS 74 -6.138 9.366 -5.894 604 HZ3 LYS 74 HZ3 LYS 74 -4.977 8.918 -7.050 605 H THR 75 HN THR 75 -7.503 4.531 -11.333 606 HA THR 75 HA THR 75 -5.436 3.097 -9.858 607 HB THR 75 HB THR 75 -6.279 1.628 -11.430 608 HG1 THR 75 HG1 THR 75 -4.920 2.573 -13.542 609 HG21 THR 75 HG21 THR 75 -6.988 2.530 -13.755 610 HG22 THR 75 HG22 THR 75 -6.859 4.126 -13.014 611 HG23 THR 75 HG23 THR 75 -7.991 2.937 -12.364 612 H HIS 76 HN HIS 76 -5.379 5.051 -12.817 613 HA HIS 76 HA HIS 76 -2.778 5.286 -13.441 614 HB2 HIS 76 HB2 HIS 76 -4.632 6.583 -14.488 615 HB3 HIS 76 HB1 HIS 76 -4.558 7.714 -13.138 616 HD1 HIS 76 HD1 HIS 76 -1.491 6.162 -14.693 617 HD2 HIS 76 HD2 HIS 76 -3.436 9.849 -14.608 618 HE1 HIS 76 HE1 HIS 76 0.082 7.827 -15.773 619 H TRP 77 HN TRP 77 -4.197 7.272 -10.801 620 HA TRP 77 HA TRP 77 -1.699 8.512 -10.133 621 HB2 TRP 77 HB2 TRP 77 -4.230 8.127 -8.558 622 HB3 TRP 77 HB1 TRP 77 -2.823 8.899 -7.865 623 HD1 TRP 77 HD1 TRP 77 -4.179 9.299 -11.456 624 HE1 TRP 77 HE1 TRP 77 -4.662 11.797 -11.859 625 HE3 TRP 77 HE3 TRP 77 -3.170 11.152 -6.806 626 HZ2 TRP 77 HZ2 TRP 77 -4.627 14.258 -10.402 627 HZ3 TRP 77 HZ3 TRP 77 -3.404 13.575 -6.341 628 HH2 TRP 77 HH2 TRP 77 -4.130 15.129 -8.132 629 H THR 78 HN THR 78 -0.568 6.390 -10.381 630 HA THR 78 HA THR 78 -0.592 4.245 -8.633 631 HB THR 78 HB THR 78 2.140 5.236 -9.264 632 HG1 THR 78 HG1 THR 78 0.443 4.662 -11.433 633 HG21 THR 78 HG21 THR 78 2.282 3.055 -10.416 634 HG22 THR 78 HG22 THR 78 0.559 2.804 -10.138 635 HG23 THR 78 HG23 THR 78 1.673 2.878 -8.772 636 H LEU 79 HN LEU 79 1.106 3.889 -6.851 637 HA LEU 79 HA LEU 79 0.661 5.812 -4.772 638 HB2 LEU 79 HB2 LEU 79 3.058 4.014 -4.587 639 HB3 LEU 79 HB1 LEU 79 1.846 4.398 -3.378 640 HG LEU 79 HG LEU 79 1.452 2.174 -3.932 641 HD11 LEU 79 HD11 LEU 79 -0.775 2.206 -4.454 642 HD12 LEU 79 HD12 LEU 79 -0.555 3.261 -5.841 643 HD13 LEU 79 HD13 LEU 79 -0.542 3.933 -4.211 644 HD21 LEU 79 HD21 LEU 79 0.993 2.038 -6.726 645 HD22 LEU 79 HD22 LEU 79 2.288 1.283 -5.805 646 HD23 LEU 79 HD23 LEU 79 2.529 2.873 -6.511 647 H ASP 80 HN ASP 80 3.429 5.042 -6.812 648 HA ASP 80 HA ASP 80 5.158 7.028 -5.749 649 HB2 ASP 80 HB2 ASP 80 6.304 5.688 -7.201 650 HB3 ASP 80 HB1 ASP 80 4.953 5.484 -8.286 651 H LYS 81 HN LYS 81 2.505 7.176 -8.086 652 HA LYS 81 HA LYS 81 2.998 9.827 -8.997 653 HB2 LYS 81 HB2 LYS 81 0.770 7.988 -9.076 654 HB3 LYS 81 HB1 LYS 81 0.154 9.557 -8.602 655 HG2 LYS 81 HG2 LYS 81 0.063 9.789 -10.886 656 HG3 LYS 81 HG1 LYS 81 1.658 10.426 -10.611 657 HD2 LYS 81 HD2 LYS 81 2.663 8.736 -11.783 658 HD3 LYS 81 HD1 LYS 81 1.738 7.496 -10.966 659 HE2 LYS 81 HE2 LYS 81 1.059 7.341 -13.225 660 HE3 LYS 81 HE1 LYS 81 -0.243 8.219 -12.415 661 HZ1 LYS 81 HZ1 LYS 81 2.001 9.664 -13.674 662 HZ2 LYS 81 HZ2 LYS 81 0.439 10.226 -13.310 663 HZ3 LYS 81 HZ3 LYS 81 0.679 9.149 -14.603 664 H TYR 82 HN TYR 82 1.186 8.632 -6.246 665 HA TYR 82 HA TYR 82 0.586 11.230 -5.140 666 HB2 TYR 82 HB2 TYR 82 0.486 8.399 -4.224 667 HB3 TYR 82 HB1 TYR 82 0.716 9.566 -2.928 668 HD1 TYR 82 HD2 TYR 82 -0.825 11.818 -3.361 669 HD2 TYR 82 HD1 TYR 82 -1.744 7.811 -4.611 670 HE1 TYR 82 HE2 TYR 82 -3.236 12.391 -3.430 671 HE2 TYR 82 HE1 TYR 82 -4.153 8.386 -4.676 672 HH TYR 82 HH TYR 82 -5.474 10.952 -3.203 673 H GLY 83 HN GLY 83 3.395 9.259 -5.299 674 HA2 GLY 83 HA2 GLY 83 5.631 10.044 -4.842 675 HA3 GLY 83 HA1 GLY 83 4.954 11.320 -3.821 676 H ILE 84 HN ILE 84 4.090 7.944 -3.830 677 HA ILE 84 HA ILE 84 4.663 7.802 -0.916 678 HB ILE 84 HB ILE 84 2.861 6.445 -2.855 679 HG12 ILE 84 HG12 ILE 84 2.525 6.838 0.122 680 HG13 ILE 84 HG11 ILE 84 2.238 8.134 -1.039 681 HG21 ILE 84 HG21 ILE 84 3.950 4.441 -2.281 682 HG22 ILE 84 HG22 ILE 84 2.565 4.509 -1.189 683 HG23 ILE 84 HG23 ILE 84 4.169 4.933 -0.602 684 HD11 ILE 84 HD11 ILE 84 0.131 6.998 -0.564 685 HD12 ILE 84 HD12 ILE 84 0.847 5.441 -0.977 686 HD13 ILE 84 HD13 ILE 84 0.612 6.663 -2.226 687 H GLN 85 HN GLN 85 5.959 6.217 -0.015 688 HA GLN 85 HA GLN 85 7.765 4.690 -1.854 689 HB2 GLN 85 HB2 GLN 85 8.467 6.186 0.694 690 HB3 GLN 85 HB1 GLN 85 9.564 5.096 -0.155 691 HG2 GLN 85 HG2 GLN 85 9.668 6.498 -2.062 692 HG3 GLN 85 HG1 GLN 85 8.234 7.401 -1.571 693 HE21 GLN 85 HE21 GLN 85 8.725 8.171 1.006 694 HE22 GLN 85 HE22 GLN 85 10.156 9.077 1.119 695 H ALA 86 HN ALA 86 9.130 3.430 0.341 696 HA ALA 86 HA ALA 86 7.094 1.443 1.048 697 HB1 ALA 86 HB1 ALA 86 8.877 0.050 1.473 698 HB2 ALA 86 HB2 ALA 86 9.813 1.314 2.275 699 HB3 ALA 86 HB3 ALA 86 9.746 1.251 0.518 700 H ASP 87 HN ASP 87 8.047 4.370 2.321 701 HA ASP 87 HA ASP 87 7.750 3.618 5.162 702 HB2 ASP 87 HB2 ASP 87 9.344 5.422 4.317 703 HB3 ASP 87 HB1 ASP 87 7.913 6.394 3.977 704 H ALA 88 HN ALA 88 5.724 3.768 2.774 705 HA ALA 88 HA ALA 88 3.601 5.402 4.066 706 HB1 ALA 88 HB1 ALA 88 4.016 5.622 1.621 707 HB2 ALA 88 HB2 ALA 88 2.375 5.082 1.982 708 HB3 ALA 88 HB3 ALA 88 3.582 3.923 1.422 709 H LYS 89 HN LYS 89 2.378 4.336 5.552 710 HA LYS 89 HA LYS 89 1.984 1.395 5.297 711 HB2 LYS 89 HB2 LYS 89 1.672 3.403 7.527 712 HB3 LYS 89 HB1 LYS 89 0.752 1.919 7.591 713 HG2 LYS 89 HG2 LYS 89 2.880 1.649 8.790 714 HG3 LYS 89 HG1 LYS 89 2.811 0.590 7.386 715 HD2 LYS 89 HD2 LYS 89 5.006 1.704 7.547 716 HD3 LYS 89 HD1 LYS 89 4.152 2.195 6.088 717 HE2 LYS 89 HE2 LYS 89 5.283 4.035 7.546 718 HE3 LYS 89 HE1 LYS 89 3.653 4.323 6.946 719 HZ1 LYS 89 HZ1 LYS 89 4.179 4.712 9.428 720 HZ2 LYS 89 HZ2 LYS 89 4.049 3.023 9.556 721 HZ3 LYS 89 HZ3 LYS 89 2.730 3.940 9.004 722 H LEU 90 HN LEU 90 0.287 0.967 3.905 723 HA LEU 90 HA LEU 90 -1.941 2.858 3.695 724 HB2 LEU 90 HB2 LEU 90 -1.440 0.183 2.382 725 HB3 LEU 90 HB1 LEU 90 -2.765 1.273 1.984 726 HG LEU 90 HG LEU 90 0.166 2.014 1.831 727 HD11 LEU 90 HD11 LEU 90 -0.506 0.276 0.172 728 HD12 LEU 90 HD12 LEU 90 -0.066 1.807 -0.587 729 HD13 LEU 90 HD13 LEU 90 -1.764 1.364 -0.414 730 HD21 LEU 90 HD21 LEU 90 -0.906 4.064 2.029 731 HD22 LEU 90 HD22 LEU 90 -2.412 3.472 1.328 732 HD23 LEU 90 HD23 LEU 90 -1.037 3.837 0.287 733 H GLN 91 HN GLN 91 -4.106 1.867 3.586 734 HA GLN 91 HA GLN 91 -4.639 -0.120 5.669 735 HB2 GLN 91 HB2 GLN 91 -6.445 2.229 5.452 736 HB3 GLN 91 HB1 GLN 91 -6.243 1.116 6.771 737 HG2 GLN 91 HG2 GLN 91 -4.278 2.116 7.536 738 HG3 GLN 91 HG1 GLN 91 -3.941 2.896 6.006 739 HE21 GLN 91 HE21 GLN 91 -6.831 2.871 8.167 740 HE22 GLN 91 HE22 GLN 91 -6.981 4.560 8.215 741 H PHE 92 HN PHE 92 -7.013 -0.751 5.391 742 HA PHE 92 HA PHE 92 -7.845 -0.715 2.538 743 HB2 PHE 92 HB2 PHE 92 -6.882 -2.941 3.397 744 HB3 PHE 92 HB1 PHE 92 -8.317 -3.036 4.358 745 HD1 PHE 92 HD1 PHE 92 -10.537 -3.291 3.356 746 HD2 PHE 92 HD2 PHE 92 -6.969 -3.142 0.997 747 HE1 PHE 92 HE1 PHE 92 -11.792 -4.183 1.412 748 HE2 PHE 92 HE2 PHE 92 -8.215 -4.027 -0.962 749 HZ PHE 92 HZ PHE 92 -10.630 -4.550 -0.750 750 H THR 93 HN THR 93 -10.066 -0.597 2.316 751 HA THR 93 HA THR 93 -11.824 -0.678 4.602 752 HB THR 93 HB THR 93 -10.919 1.388 5.225 753 HG1 THR 93 HG1 THR 93 -12.655 2.895 4.284 754 HG21 THR 93 HG21 THR 93 -10.834 3.265 3.457 755 HG22 THR 93 HG22 THR 93 -10.972 1.970 2.276 756 HG23 THR 93 HG23 THR 93 -9.607 2.002 3.389 757 HA PRO 94 HA PRO 94 -14.814 -1.545 1.425 758 HB2 PRO 94 HB2 PRO 94 -16.580 0.402 2.888 759 HB3 PRO 94 HB1 PRO 94 -16.953 -1.232 2.302 760 HG2 PRO 94 HG2 PRO 94 -16.444 -0.736 4.888 761 HG3 PRO 94 HG1 PRO 94 -15.963 -2.253 4.108 762 HD2 PRO 94 HD2 PRO 94 -14.250 0.010 5.002 763 HD3 PRO 94 HD1 PRO 94 -13.827 -1.696 4.733
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