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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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653187 |
6xyv ![]() ![]() |
34487 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1H VAL 1 -11.563 8.563 -18.352 2 H2 VAL 1 2H VAL 1 -12.212 7.840 -17.006 3 H3 VAL 1 3H VAL 1 -11.430 6.948 -18.150 4 HA VAL 1 HA VAL 1 -9.422 8.364 -17.705 5 HB VAL 1 HB VAL 1 -10.981 8.843 -15.144 6 HG11 VAL 1 1HG1 VAL 1 -8.088 9.499 -15.833 7 HG12 VAL 1 2HG1 VAL 1 -8.972 10.106 -14.417 8 HG13 VAL 1 3HG1 VAL 1 -8.642 8.385 -14.559 9 HG21 VAL 1 1HG2 VAL 1 -11.531 10.436 -16.977 10 HG22 VAL 1 2HG2 VAL 1 -10.612 11.231 -15.702 11 HG23 VAL 1 3HG2 VAL 1 -9.801 10.763 -17.211 12 H THR 2 H THR 2 -7.776 7.042 -17.183 13 HA THR 2 HA THR 2 -8.388 4.311 -16.777 14 HB THR 2 HB THR 2 -5.630 5.507 -16.428 15 HG1 THR 2 HG1 THR 2 -6.932 4.909 -18.885 16 HG21 THR 2 1HG2 THR 2 -5.773 3.060 -16.148 17 HG22 THR 2 2HG2 THR 2 -6.621 2.915 -17.703 18 HG23 THR 2 3HG2 THR 2 -4.933 3.467 -17.651 19 H LYS 3 H LYS 3 -8.117 2.870 -15.089 20 HA LYS 3 HA LYS 3 -7.916 3.974 -12.327 21 HB2 LYS 3 2HB LYS 3 -9.874 2.583 -13.260 22 HB3 LYS 3 3HB LYS 3 -8.779 1.203 -13.216 23 HG2 LYS 3 2HG LYS 3 -8.510 1.597 -10.726 24 HG3 LYS 3 3HG LYS 3 -9.721 2.883 -10.867 25 HD2 LYS 3 2HD LYS 3 -11.282 1.086 -11.877 26 HD3 LYS 3 3HD LYS 3 -10.048 -0.091 -11.425 27 HE2 LYS 3 2HE LYS 3 -11.320 -0.262 -9.547 28 HE3 LYS 3 3HE LYS 3 -10.291 1.076 -9.021 29 HZ1 LYS 3 1HZ LYS 3 -12.059 2.601 -9.691 30 HZ2 LYS 3 2HZ LYS 3 -12.995 1.349 -10.238 31 HZ3 LYS 3 3HZ LYS 3 -12.654 1.514 -8.635 32 H LYS 4 H LYS 4 -6.568 2.967 -10.666 33 HA LYS 4 HA LYS 4 -4.105 1.632 -11.599 34 HB2 LYS 4 2HB LYS 4 -5.172 2.431 -8.871 35 HB3 LYS 4 3HB LYS 4 -3.729 1.455 -9.015 36 HG2 LYS 4 2HG LYS 4 -3.873 3.865 -10.713 37 HG3 LYS 4 3HG LYS 4 -3.673 4.129 -8.969 38 HD2 LYS 4 2HD LYS 4 -1.624 2.704 -9.037 39 HD3 LYS 4 3HD LYS 4 -1.905 2.415 -10.780 40 HE2 LYS 4 2HE LYS 4 -1.941 4.974 -11.024 41 HE3 LYS 4 3HE LYS 4 -1.315 5.045 -9.375 42 HZ1 LYS 4 1HZ LYS 4 0.004 3.618 -11.629 43 HZ2 LYS 4 2HZ LYS 4 0.432 5.116 -11.119 44 HZ3 LYS 4 3HZ LYS 4 0.622 3.821 -10.127 45 H ALA 5 H ALA 5 -3.433 -0.191 -10.196 46 HA ALA 5 HA ALA 5 -5.193 -2.544 -10.490 47 HB1 ALA 5 1HB ALA 5 -3.412 -3.727 -9.258 48 HB2 ALA 5 2HB ALA 5 -2.745 -2.813 -10.625 49 HB3 ALA 5 3HB ALA 5 -2.576 -2.190 -8.963 50 H SER 6 H SER 6 -6.437 -3.526 -8.838 51 HA SER 6 HA SER 6 -7.182 -1.867 -6.563 52 HB2 SER 6 2HB SER 6 -8.563 -3.753 -5.872 53 HB3 SER 6 3HB SER 6 -8.848 -3.306 -7.559 54 HG SER 6 HG SER 6 -8.679 -5.436 -7.648 55 H HIS 7 H HIS 7 -6.827 -2.348 -4.351 56 HA HIS 7 HA HIS 7 -4.165 -3.127 -3.633 57 HB2 HIS 7 2HB HIS 7 -5.743 -3.393 -1.341 58 HB3 HIS 7 3HB HIS 7 -4.815 -2.007 -1.821 59 HD2 HIS 7 HD2 HIS 7 -6.383 -0.123 -3.443 60 HE1 HIS 7 HE1 HIS 7 -10.023 -1.234 -1.525 61 HE2 HIS 7 HE2 HIS 7 -8.904 0.475 -3.037 62 H LYS 8 H LYS 8 -7.154 -4.892 -3.779 63 HA LYS 8 HA LYS 8 -6.357 -7.457 -2.843 64 HB2 LYS 8 2HB LYS 8 -8.692 -6.722 -3.272 65 HB3 LYS 8 3HB LYS 8 -8.371 -6.760 -5.006 66 HG2 LYS 8 2HG LYS 8 -9.486 -8.744 -4.410 67 HG3 LYS 8 3HG LYS 8 -7.845 -9.235 -4.788 68 HD2 LYS 8 2HD LYS 8 -7.285 -9.434 -2.407 69 HD3 LYS 8 3HD LYS 8 -8.822 -8.685 -1.946 70 HE2 LYS 8 2HE LYS 8 -9.957 -10.663 -3.168 71 HE3 LYS 8 3HE LYS 8 -8.351 -11.410 -3.233 72 HZ1 LYS 8 1HZ LYS 8 -8.314 -11.211 -0.744 73 HZ2 LYS 8 2HZ LYS 8 -9.844 -10.650 -0.771 74 HZ3 LYS 8 3HZ LYS 8 -9.518 -12.169 -1.273 75 H ASP 9 H ASP 9 -6.493 -6.401 -6.287 76 HA ASP 9 HA ASP 9 -5.087 -8.637 -7.342 77 HB2 ASP 9 2HB ASP 9 -5.619 -5.788 -8.267 78 HB3 ASP 9 3HB ASP 9 -4.619 -6.863 -9.172 79 H ALA 10 H ALA 10 -3.879 -5.808 -5.655 80 HA ALA 10 HA ALA 10 -1.099 -6.432 -6.314 81 HB1 ALA 10 1HB ALA 10 -1.879 -4.108 -6.259 82 HB2 ALA 10 2HB ALA 10 -2.293 -4.295 -4.537 83 HB3 ALA 10 3HB ALA 10 -0.602 -4.388 -5.058 84 H GLY 11 H GLY 11 -3.146 -7.854 -4.125 85 HA2 GLY 11 2HA GLY 11 -2.641 -9.485 -2.631 86 HA3 GLY 11 3HA GLY 11 -0.921 -9.263 -2.946 87 H TYR 12 H TYR 12 -3.169 -6.832 -1.664 88 HA TYR 12 HA TYR 12 -1.381 -6.286 0.467 89 HB2 TYR 12 2HB TYR 12 -2.490 -4.347 0.771 90 HB3 TYR 12 3HB TYR 12 -2.876 -4.672 -0.896 91 HD1 TYR 12 HD1 TYR 12 -5.159 -6.572 -0.764 92 HD2 TYR 12 HD2 TYR 12 -4.210 -3.197 1.754 93 HE1 TYR 12 HE1 TYR 12 -7.577 -6.235 -0.319 94 HE2 TYR 12 HE2 TYR 12 -6.649 -2.905 2.236 95 HH TYR 12 HH TYR 12 -9.141 -4.796 0.559 96 H GLN 13 H GLN 13 -1.940 -5.673 2.599 97 HA GLN 13 HA GLN 13 -3.886 -7.370 4.042 98 HB2 GLN 13 2HB GLN 13 -2.071 -7.562 5.898 99 HB3 GLN 13 3HB GLN 13 -2.045 -8.665 4.546 100 HG2 GLN 13 2HG GLN 13 -0.213 -7.397 3.471 101 HG3 GLN 13 3HG GLN 13 -0.254 -6.221 4.791 102 HE21 GLN 13 1HE2 GLN 13 1.274 -6.422 6.180 103 HE22 GLN 13 2HE2 GLN 13 1.962 -7.932 6.693 104 H GLU 14 H GLU 14 -4.210 -6.571 6.293 105 HA GLU 14 HA GLU 14 -4.680 -3.676 6.231 106 HB2 GLU 14 2HB GLU 14 -6.028 -4.129 8.225 107 HB3 GLU 14 3HB GLU 14 -6.409 -5.188 6.868 108 HG2 GLU 14 2HG GLU 14 -5.138 -7.036 7.880 109 HG3 GLU 14 3HG GLU 14 -4.629 -5.980 9.203 110 H SER 15 H SER 15 -2.028 -5.325 7.150 111 HA SER 15 HA SER 15 -1.128 -3.146 8.928 112 HB2 SER 15 2HB SER 15 0.082 -4.918 10.364 113 HB3 SER 15 3HB SER 15 -1.619 -4.638 10.632 114 HG SER 15 HG SER 15 -1.074 -6.850 10.574 115 HA PRO 16 HA PRO 16 2.757 -3.391 6.801 116 HB2 PRO 16 2HB PRO 16 4.188 -3.548 9.410 117 HB3 PRO 16 3HB PRO 16 4.421 -2.398 8.091 118 HG2 PRO 16 2HG PRO 16 3.127 -1.711 10.410 119 HG3 PRO 16 3HG PRO 16 2.617 -1.062 8.824 120 HD2 PRO 16 2HD PRO 16 1.343 -3.266 10.439 121 HD3 PRO 16 3HD PRO 16 0.601 -2.001 9.430 122 H ASN 17 H ASN 17 4.640 -4.691 6.450 123 HA ASN 17 HA ASN 17 4.683 -7.462 7.582 124 HB2 ASN 17 2HB ASN 17 3.937 -7.654 5.339 125 HB3 ASN 17 3HB ASN 17 4.942 -6.340 4.787 126 HD21 ASN 17 1HD2 ASN 17 5.527 -7.846 3.053 127 HD22 ASN 17 2HD2 ASN 17 6.871 -8.935 3.364 128 H GLY 18 H GLY 18 6.063 -6.746 9.290 129 HA2 GLY 18 2HA GLY 18 8.117 -6.507 10.295 130 HA3 GLY 18 3HA GLY 18 8.848 -7.008 8.769 131 H ALA 19 H ALA 19 9.954 -5.512 7.598 132 HA ALA 19 HA ALA 19 10.197 -2.763 8.602 133 HB1 ALA 19 1HB ALA 19 11.477 -4.195 6.233 134 HB2 ALA 19 2HB ALA 19 11.940 -2.599 6.859 135 HB3 ALA 19 3HB ALA 19 12.163 -4.038 7.865 136 H LYS 20 H LYS 20 8.103 -4.260 6.270 137 HA LYS 20 HA LYS 20 8.026 -1.804 4.561 138 HB2 LYS 20 2HB LYS 20 7.110 -4.607 3.838 139 HB3 LYS 20 3HB LYS 20 7.265 -3.204 2.790 140 HG2 LYS 20 2HG LYS 20 9.235 -4.103 2.221 141 HG3 LYS 20 3HG LYS 20 9.840 -3.336 3.687 142 HD2 LYS 20 2HD LYS 20 9.331 -5.526 4.899 143 HD3 LYS 20 3HD LYS 20 8.927 -6.236 3.341 144 HE2 LYS 20 2HE LYS 20 11.644 -5.088 4.151 145 HE3 LYS 20 3HE LYS 20 11.206 -6.797 4.141 146 HZ1 LYS 20 1HZ LYS 20 10.830 -6.550 1.703 147 HZ2 LYS 20 2HZ LYS 20 11.450 -5.024 1.784 148 HZ3 LYS 20 3HZ LYS 20 12.378 -6.332 2.173 149 H ARG 21 H ARG 21 6.344 -0.514 4.640 150 HA ARG 21 HA ARG 21 3.617 -1.639 4.836 151 HB2 ARG 21 2HB ARG 21 2.925 -0.505 6.583 152 HB3 ARG 21 3HB ARG 21 4.621 -0.463 7.028 153 HG2 ARG 21 2HG ARG 21 4.737 1.889 6.029 154 HG3 ARG 21 3HG ARG 21 2.987 1.801 5.817 155 HD2 ARG 21 2HD ARG 21 2.779 1.183 8.257 156 HD3 ARG 21 3HD ARG 21 4.494 1.565 8.427 157 HE ARG 21 HE ARG 21 2.470 3.551 7.398 158 HH11 ARG 21 1HH1 ARG 21 4.811 2.763 9.958 159 HH12 ARG 21 2HH1 ARG 21 4.956 4.478 10.354 160 HH21 ARG 21 1HH2 ARG 21 2.684 5.700 8.238 161 HH22 ARG 21 2HH2 ARG 21 3.839 5.910 9.532 162 H CYS 22 H CYS 22 1.956 0.193 4.095 163 HA CYS 22 HA CYS 22 2.875 1.702 1.844 164 HB2 CYS 22 2HB CYS 22 0.400 2.105 3.566 165 HB3 CYS 22 3HB CYS 22 0.690 2.756 1.942 166 H GLY 23 H GLY 23 1.484 3.999 3.900 167 HA2 GLY 23 2HA GLY 23 2.194 5.816 5.085 168 HA3 GLY 23 3HA GLY 23 3.533 4.793 5.590 169 H THR 24 H THR 24 5.273 4.630 3.830 170 HA THR 24 HA THR 24 5.500 6.928 1.972 171 HB THR 24 HB THR 24 7.929 5.941 3.519 172 HG1 THR 24 HG1 THR 24 7.887 8.066 4.397 173 HG21 THR 24 1HG2 THR 24 9.031 7.888 2.473 174 HG22 THR 24 2HG2 THR 24 8.398 6.821 1.224 175 HG23 THR 24 3HG2 THR 24 7.525 8.311 1.624 176 H CYS 25 H CYS 25 6.364 3.573 2.878 177 HA CYS 25 HA CYS 25 7.064 1.778 1.710 178 HB2 CYS 25 2HB CYS 25 4.783 1.857 1.005 179 HB3 CYS 25 3HB CYS 25 5.083 3.035 -0.222 180 H ARG 26 H ARG 26 7.358 1.598 -1.143 181 HA ARG 26 HA ARG 26 9.485 3.598 -1.904 182 HB2 ARG 26 2HB ARG 26 8.967 0.801 -2.943 183 HB3 ARG 26 3HB ARG 26 10.094 1.954 -3.684 184 HG2 ARG 26 2HG ARG 26 10.304 0.845 -0.848 185 HG3 ARG 26 3HG ARG 26 11.222 0.275 -2.233 186 HD2 ARG 26 2HD ARG 26 12.384 2.365 -2.471 187 HD3 ARG 26 3HD ARG 26 11.347 3.178 -1.314 188 HE ARG 26 HE ARG 26 13.698 1.647 -0.723 189 HH11 ARG 26 1HH1 ARG 26 10.643 2.623 0.744 190 HH12 ARG 26 2HH1 ARG 26 11.213 2.243 2.341 191 HH21 ARG 26 1HH2 ARG 26 14.343 1.249 1.271 192 HH22 ARG 26 2HH2 ARG 26 13.326 1.681 2.654 193 H GLN 27 H GLN 27 6.264 3.008 -2.001 194 HA GLN 27 HA GLN 27 5.805 4.383 -4.615 195 HB2 GLN 27 2HB GLN 27 4.663 1.806 -3.487 196 HB3 GLN 27 3HB GLN 27 3.977 2.602 -4.892 197 HG2 GLN 27 2HG GLN 27 6.880 1.664 -4.822 198 HG3 GLN 27 3HG GLN 27 5.550 0.654 -5.313 199 HE21 GLN 27 1HE2 GLN 27 4.347 1.181 -7.221 200 HE22 GLN 27 2HE2 GLN 27 5.175 2.061 -8.497 201 H PHE 28 H PHE 28 5.024 4.852 -1.319 202 HA PHE 28 HA PHE 28 2.143 5.028 -1.683 203 HB2 PHE 28 2HB PHE 28 3.278 4.478 0.494 204 HB3 PHE 28 3HB PHE 28 3.755 6.165 0.601 205 HD1 PHE 28 HD1 PHE 28 0.622 4.099 0.016 206 HD2 PHE 28 HD2 PHE 28 2.360 7.589 1.833 207 HE1 PHE 28 HE1 PHE 28 -1.507 4.550 1.191 208 HE2 PHE 28 HE2 PHE 28 0.212 8.055 3.000 209 HZ PHE 28 HZ PHE 28 -1.730 6.540 2.667 210 H ARG 29 H ARG 29 0.798 6.868 -1.600 211 HA ARG 29 HA ARG 29 1.992 9.501 -2.406 212 HB2 ARG 29 2HB ARG 29 1.360 8.130 -4.378 213 HB3 ARG 29 3HB ARG 29 -0.258 7.958 -3.749 214 HG2 ARG 29 2HG ARG 29 -0.418 9.570 -5.425 215 HG3 ARG 29 3HG ARG 29 -0.514 10.473 -3.911 216 HD2 ARG 29 2HD ARG 29 1.914 11.018 -4.134 217 HD3 ARG 29 3HD ARG 29 1.981 10.112 -5.635 218 HE ARG 29 HE ARG 29 0.987 11.833 -6.809 219 HH11 ARG 29 1HH1 ARG 29 0.772 12.794 -3.398 220 HH12 ARG 29 2HH1 ARG 29 -0.113 14.237 -3.858 221 HH21 ARG 29 1HH2 ARG 29 -0.246 13.694 -7.151 222 HH22 ARG 29 2HH2 ARG 29 -0.551 14.737 -5.768 223 HA PRO 30 HA PRO 30 -0.671 9.793 1.348 224 HB2 PRO 30 2HB PRO 30 0.874 12.403 1.374 225 HB3 PRO 30 3HB PRO 30 0.348 11.408 2.768 226 HG2 PRO 30 2HG PRO 30 2.871 11.225 1.840 227 HG3 PRO 30 3HG PRO 30 1.975 9.752 2.308 228 HD2 PRO 30 2HD PRO 30 2.562 10.823 -0.439 229 HD3 PRO 30 3HD PRO 30 2.471 9.140 0.112 230 HA PRO 31 HA PRO 31 -1.838 10.918 2.975 231 HB2 PRO 31 2HB PRO 31 -4.312 11.404 3.860 232 HB3 PRO 31 3HB PRO 31 -3.158 12.738 3.569 233 HG2 PRO 31 2HG PRO 31 -5.315 11.734 1.670 234 HG3 PRO 31 3HG PRO 31 -5.048 13.417 2.237 235 HD2 PRO 31 2HD PRO 31 -4.013 12.500 -0.122 236 HD3 PRO 31 3HD PRO 31 -3.124 13.654 0.905 237 H SER 32 H SER 32 -3.729 9.790 0.277 238 HA SER 32 HA SER 32 -4.188 7.158 1.587 239 HB2 SER 32 2HB SER 32 -6.597 7.268 1.183 240 HB3 SER 32 3HB SER 32 -6.089 8.601 2.225 241 HG SER 32 HG SER 32 -7.505 9.247 0.556 242 H SER 33 H SER 33 -2.730 8.214 -0.982 243 HA SER 33 HA SER 33 -4.050 6.351 -2.923 244 HB2 SER 33 2HB SER 33 -2.430 8.835 -3.571 245 HB3 SER 33 3HB SER 33 -3.154 7.714 -4.727 246 HG SER 33 HG SER 33 -4.551 9.338 -2.844 247 H CYS 34 H CYS 34 -2.464 5.447 -4.558 248 HA CYS 34 HA CYS 34 0.317 5.211 -3.551 249 HB2 CYS 34 2HB CYS 34 -0.781 3.384 -2.468 250 HB3 CYS 34 3HB CYS 34 -1.624 2.915 -3.940 251 H ILE 35 H ILE 35 1.825 4.574 -5.041 252 HA ILE 35 HA ILE 35 1.254 5.267 -7.848 253 HB ILE 35 HB ILE 35 3.825 4.548 -6.395 254 HG12 ILE 35 2HG1 ILE 35 2.793 7.234 -7.444 255 HG13 ILE 35 3HG1 ILE 35 2.704 6.739 -5.761 256 HG21 ILE 35 1HG2 ILE 35 3.582 5.686 -9.202 257 HG22 ILE 35 2HG2 ILE 35 5.072 5.279 -8.338 258 HG23 ILE 35 3HG2 ILE 35 3.995 4.000 -8.843 259 HD11 ILE 35 1HD1 ILE 35 4.550 8.234 -6.019 260 HD12 ILE 35 2HD1 ILE 35 5.173 6.619 -5.637 261 HD13 ILE 35 3HD1 ILE 35 5.265 7.256 -7.301 262 H THR 36 H THR 36 1.487 2.359 -5.902 263 HA THR 36 HA THR 36 1.504 0.611 -8.328 264 HB THR 36 HB THR 36 1.163 -0.238 -5.443 265 HG1 THR 36 HG1 THR 36 3.084 0.026 -5.112 266 HG21 THR 36 1HG2 THR 36 2.276 -1.713 -7.874 267 HG22 THR 36 2HG2 THR 36 2.091 -2.354 -6.223 268 HG23 THR 36 3HG2 THR 36 0.659 -1.960 -7.177 269 H VAL 37 H VAL 37 -0.582 1.662 -5.659 270 HA VAL 37 HA VAL 37 -2.825 -0.043 -6.623 271 HB VAL 37 HB VAL 37 -1.590 0.599 -3.942 272 HG11 VAL 37 1HG1 VAL 37 -4.324 -0.665 -4.265 273 HG12 VAL 37 2HG1 VAL 37 -3.330 -0.627 -2.780 274 HG13 VAL 37 3HG1 VAL 37 -3.944 0.873 -3.435 275 HG21 VAL 37 1HG2 VAL 37 -2.462 -1.979 -5.298 276 HG22 VAL 37 2HG2 VAL 37 -0.797 -1.363 -5.243 277 HG23 VAL 37 3HG2 VAL 37 -1.582 -1.847 -3.750 278 H GLU 38 H GLU 38 -4.969 0.527 -6.258 279 HA GLU 38 HA GLU 38 -5.818 3.184 -6.720 280 HB2 GLU 38 2HB GLU 38 -7.112 0.645 -5.760 281 HB3 GLU 38 3HB GLU 38 -8.017 2.114 -5.610 282 HG2 GLU 38 2HG GLU 38 -6.854 1.091 -8.216 283 HG3 GLU 38 3HG GLU 38 -8.503 0.815 -7.685 284 H SER 39 H SER 39 -7.100 4.577 -5.552 285 HA SER 39 HA SER 39 -6.611 4.811 -2.630 286 HB2 SER 39 2HB SER 39 -5.837 6.641 -4.128 287 HB3 SER 39 3HB SER 39 -7.514 6.875 -4.626 288 HG SER 39 HG SER 39 -6.433 7.149 -2.014 289 HA PRO 40 HA PRO 40 -7.638 5.832 -0.816 290 HB2 PRO 40 2HB PRO 40 -9.118 5.212 1.359 291 HB3 PRO 40 3HB PRO 40 -9.428 6.642 0.328 292 HG2 PRO 40 2HG PRO 40 -10.821 3.953 0.242 293 HG3 PRO 40 3HG PRO 40 -11.559 5.583 0.242 294 HD2 PRO 40 2HD PRO 40 -11.135 4.172 -2.076 295 HD3 PRO 40 3HD PRO 40 -11.004 5.949 -2.010 296 H ILE 41 H ILE 41 -5.963 4.741 -0.113 297 HA ILE 41 HA ILE 41 -6.167 1.899 0.767 298 HB ILE 41 HB ILE 41 -4.934 1.886 -1.237 299 HG12 ILE 41 2HG1 ILE 41 -2.669 1.174 -0.648 300 HG13 ILE 41 3HG1 ILE 41 -2.857 1.798 0.984 301 HG21 ILE 41 1HG2 ILE 41 -2.863 3.249 -1.598 302 HG22 ILE 41 2HG2 ILE 41 -4.352 4.171 -1.609 303 HG23 ILE 41 3HG2 ILE 41 -3.299 4.217 -0.173 304 HD11 ILE 41 1HD1 ILE 41 -3.173 -0.697 0.698 305 HD12 ILE 41 2HD1 ILE 41 -4.542 0.101 1.475 306 HD13 ILE 41 3HD1 ILE 41 -4.644 -0.356 -0.237 307 H SER 42 H SER 42 -5.226 1.383 2.702 308 HA SER 42 HA SER 42 -5.034 3.376 4.728 309 HB2 SER 42 2HB SER 42 -5.634 1.019 5.131 310 HB3 SER 42 3HB SER 42 -3.996 0.513 4.709 311 HG SER 42 HG SER 42 -4.392 0.740 7.007 312 H GLU 43 H GLU 43 -3.274 4.294 5.823 313 HA GLU 43 HA GLU 43 -0.804 4.490 4.302 314 HB2 GLU 43 2HB GLU 43 -0.110 6.066 5.891 315 HB3 GLU 43 3HB GLU 43 -1.772 6.430 5.421 316 HG2 GLU 43 2HG GLU 43 -2.607 5.263 7.466 317 HG3 GLU 43 3HG GLU 43 -0.950 5.048 7.981 318 H ASN 44 H ASN 44 -1.779 2.023 6.153 319 HA ASN 44 HA ASN 44 1.039 1.163 6.447 320 HB2 ASN 44 2HB ASN 44 0.673 0.177 8.616 321 HB3 ASN 44 3HB ASN 44 0.188 1.868 8.688 322 HD21 ASN 44 1HD2 ASN 44 -1.805 2.387 9.332 323 HD22 ASN 44 2HD2 ASN 44 -2.954 1.135 9.742 324 H GLY 45 H GLY 45 -1.575 0.572 4.673 325 HA2 GLY 45 2HA GLY 45 -2.101 -2.230 5.172 326 HA3 GLY 45 3HA GLY 45 -2.812 -1.206 3.925 327 H TRP 46 H TRP 46 0.443 -2.515 4.612 328 HA TRP 46 HA TRP 46 1.659 -2.299 2.217 329 HB2 TRP 46 2HB TRP 46 2.667 -3.294 4.285 330 HB3 TRP 46 3HB TRP 46 1.775 -4.753 3.999 331 HD1 TRP 46 HD1 TRP 46 4.447 -2.674 2.082 332 HE1 TRP 46 HE1 TRP 46 5.847 -4.260 0.647 333 HE3 TRP 46 HE3 TRP 46 2.049 -7.056 3.114 334 HZ2 TRP 46 HZ2 TRP 46 6.055 -7.108 0.185 335 HZ3 TRP 46 HZ3 TRP 46 2.809 -9.191 2.084 336 HH2 TRP 46 HH2 TRP 46 4.810 -9.219 0.618 337 H CYS 47 H CYS 47 1.728 -3.111 0.197 338 HA CYS 47 HA CYS 47 0.133 -5.523 -0.476 339 HB2 CYS 47 2HB CYS 47 -0.408 -4.608 -2.539 340 HB3 CYS 47 3HB CYS 47 -0.444 -3.180 -1.488 341 H ARG 48 H ARG 48 0.864 -6.947 -2.059 342 HA ARG 48 HA ARG 48 3.667 -7.653 -1.700 343 HB2 ARG 48 2HB ARG 48 1.320 -9.064 -2.176 344 HB3 ARG 48 3HB ARG 48 2.063 -9.103 -3.767 345 HG2 ARG 48 2HG ARG 48 3.348 -9.943 -1.144 346 HG3 ARG 48 3HG ARG 48 2.598 -11.044 -2.317 347 HD2 ARG 48 2HD ARG 48 4.311 -10.226 -4.018 348 HD3 ARG 48 3HD ARG 48 5.150 -9.433 -2.666 349 HE ARG 48 HE ARG 48 4.738 -12.110 -1.895 350 HH11 ARG 48 1HH1 ARG 48 6.659 -10.511 -4.423 351 HH12 ARG 48 2HH1 ARG 48 7.744 -11.905 -4.472 352 HH21 ARG 48 1HH2 ARG 48 6.133 -13.782 -2.199 353 HH22 ARG 48 2HH2 ARG 48 7.514 -13.568 -3.288 354 H LEU 49 H LEU 49 1.884 -5.854 -4.105 355 HA LEU 49 HA LEU 49 4.019 -6.243 -6.114 356 HB2 LEU 49 2HB LEU 49 1.405 -4.732 -6.308 357 HB3 LEU 49 3HB LEU 49 2.590 -4.864 -7.602 358 HG LEU 49 HG LEU 49 0.949 -7.124 -6.415 359 HD11 LEU 49 1HD1 LEU 49 0.030 -7.239 -8.677 360 HD12 LEU 49 2HD1 LEU 49 -0.123 -5.570 -8.095 361 HD13 LEU 49 3HD1 LEU 49 1.158 -5.988 -9.242 362 HD21 LEU 49 1HD2 LEU 49 3.108 -8.105 -6.895 363 HD22 LEU 49 2HD2 LEU 49 1.982 -8.564 -8.171 364 HD23 LEU 49 3HD2 LEU 49 3.175 -7.285 -8.477 365 H TYR 50 H TYR 50 3.857 -4.272 -3.501 366 HA TYR 50 HA TYR 50 4.843 -1.841 -4.335 367 HB2 TYR 50 2HB TYR 50 5.455 -1.523 -2.191 368 HB3 TYR 50 3HB TYR 50 4.368 -2.868 -1.956 369 HD1 TYR 50 HD1 TYR 50 5.681 -5.300 -2.235 370 HD2 TYR 50 HD2 TYR 50 7.483 -1.557 -1.094 371 HE1 TYR 50 HE1 TYR 50 7.644 -6.523 -1.315 372 HE2 TYR 50 HE2 TYR 50 9.391 -2.787 -0.082 373 HH TYR 50 HH TYR 50 9.605 -6.351 -0.153 374 H ALA 51 H ALA 51 6.989 -0.926 -4.397 375 HA ALA 51 HA ALA 51 8.482 -2.348 -6.356 376 HB1 ALA 51 1HB ALA 51 9.093 0.326 -5.056 377 HB2 ALA 51 2HB ALA 51 9.787 -0.292 -6.552 378 HB3 ALA 51 3HB ALA 51 8.060 0.055 -6.476 379 H GLY 52 H GLY 52 10.231 -3.565 -6.281 380 HA2 GLY 52 2HA GLY 52 11.439 -4.568 -3.949 381 HA3 GLY 52 3HA GLY 52 12.065 -4.703 -5.596 382 H LYS 53 H LYS 53 11.983 -1.531 -5.005 383 HA LYS 53 HA LYS 53 14.687 -0.942 -5.067 384 HB2 LYS 53 2HB LYS 53 12.135 0.567 -4.459 385 HB3 LYS 53 3HB LYS 53 13.677 1.367 -4.220 386 HG2 LYS 53 2HG LYS 53 12.506 1.805 -6.386 387 HG3 LYS 53 3HG LYS 53 14.219 1.378 -6.483 388 HD2 LYS 53 2HD LYS 53 13.649 -0.929 -7.156 389 HD3 LYS 53 3HD LYS 53 11.924 -0.554 -7.019 390 HE2 LYS 53 2HE LYS 53 12.215 1.166 -8.829 391 HE3 LYS 53 3HE LYS 53 13.914 0.684 -8.962 392 HZ1 LYS 53 1HZ LYS 53 13.078 -1.619 -9.403 393 HZ2 LYS 53 2HZ LYS 53 11.553 -1.045 -9.456 394 HZ3 LYS 53 3HZ LYS 53 12.657 -0.550 -10.580 395 H ALA 54 H ALA 54 15.996 -0.223 -3.789 396 HA ALA 54 HA ALA 54 16.454 -1.366 -1.256 397 HB1 ALA 54 1HB ALA 54 18.463 0.078 -1.168 398 HB2 ALA 54 2HB ALA 54 18.249 -0.615 -2.786 399 HB3 ALA 54 3HB ALA 54 17.811 1.081 -2.474 Start of MODEL 2 1 H1 VAL 1 1H VAL 1 -7.821 10.170 -17.179 2 H2 VAL 1 2H VAL 1 -6.656 11.321 -17.083 3 H3 VAL 1 3H VAL 1 -7.432 10.806 -15.731 4 HA VAL 1 HA VAL 1 -5.493 9.344 -17.390 5 HB VAL 1 HB VAL 1 -4.259 8.968 -15.333 6 HG11 VAL 1 1HG1 VAL 1 -4.891 11.934 -15.688 7 HG12 VAL 1 2HG1 VAL 1 -3.447 11.236 -14.939 8 HG13 VAL 1 3HG1 VAL 1 -3.740 10.986 -16.658 9 HG21 VAL 1 1HG2 VAL 1 -6.079 8.994 -13.655 10 HG22 VAL 1 2HG2 VAL 1 -4.793 10.127 -13.239 11 HG23 VAL 1 3HG2 VAL 1 -6.309 10.740 -13.921 12 H THR 2 H THR 2 -5.160 7.073 -17.055 13 HA THR 2 HA THR 2 -7.682 5.686 -16.718 14 HB THR 2 HB THR 2 -4.953 4.377 -16.889 15 HG1 THR 2 HG1 THR 2 -4.815 4.958 -18.825 16 HG21 THR 2 1HG2 THR 2 -7.781 3.537 -17.678 17 HG22 THR 2 2HG2 THR 2 -6.320 2.672 -18.181 18 HG23 THR 2 3HG2 THR 2 -6.724 2.781 -16.461 19 H LYS 3 H LYS 3 -8.482 4.613 -14.982 20 HA LYS 3 HA LYS 3 -7.555 5.137 -12.389 21 HB2 LYS 3 2HB LYS 3 -9.872 4.166 -13.410 22 HB3 LYS 3 3HB LYS 3 -9.183 2.647 -12.878 23 HG2 LYS 3 2HG LYS 3 -10.542 3.396 -11.122 24 HG3 LYS 3 3HG LYS 3 -8.895 3.710 -10.565 25 HD2 LYS 3 2HD LYS 3 -9.132 6.075 -10.875 26 HD3 LYS 3 3HD LYS 3 -10.487 5.866 -11.987 27 HE2 LYS 3 2HE LYS 3 -11.395 6.709 -9.977 28 HE3 LYS 3 3HE LYS 3 -11.913 5.028 -10.150 29 HZ1 LYS 3 1HZ LYS 3 -9.738 6.002 -8.378 30 HZ2 LYS 3 2HZ LYS 3 -11.224 5.499 -7.902 31 HZ3 LYS 3 3HZ LYS 3 -10.168 4.414 -8.541 32 H LYS 4 H LYS 4 -6.350 4.149 -10.873 33 HA LYS 4 HA LYS 4 -4.294 2.318 -11.572 34 HB2 LYS 4 2HB LYS 4 -5.378 3.203 -8.878 35 HB3 LYS 4 3HB LYS 4 -4.013 2.089 -8.995 36 HG2 LYS 4 2HG LYS 4 -3.977 4.605 -10.561 37 HG3 LYS 4 3HG LYS 4 -3.598 4.676 -8.826 38 HD2 LYS 4 2HD LYS 4 -1.687 3.096 -9.284 39 HD3 LYS 4 3HD LYS 4 -2.112 3.156 -11.020 40 HE2 LYS 4 2HE LYS 4 -2.021 5.708 -10.801 41 HE3 LYS 4 3HE LYS 4 -1.300 5.466 -9.215 42 HZ1 LYS 4 1HZ LYS 4 0.526 4.276 -10.349 43 HZ2 LYS 4 2HZ LYS 4 -0.144 4.577 -11.818 44 HZ3 LYS 4 3HZ LYS 4 0.402 5.821 -10.896 45 H ALA 5 H ALA 5 -3.780 0.470 -10.626 46 HA ALA 5 HA ALA 5 -5.624 -1.765 -10.954 47 HB1 ALA 5 1HB ALA 5 -2.898 -1.670 -9.577 48 HB2 ALA 5 2HB ALA 5 -3.765 -3.132 -10.084 49 HB3 ALA 5 3HB ALA 5 -3.174 -1.985 -11.309 50 H SER 6 H SER 6 -6.424 -3.250 -9.260 51 HA SER 6 HA SER 6 -7.257 -1.785 -6.873 52 HB2 SER 6 2HB SER 6 -8.379 -3.828 -6.179 53 HB3 SER 6 3HB SER 6 -8.830 -3.316 -7.812 54 HG SER 6 HG SER 6 -8.493 -5.417 -8.033 55 H HIS 7 H HIS 7 -6.651 -2.101 -4.766 56 HA HIS 7 HA HIS 7 -3.935 -2.960 -4.212 57 HB2 HIS 7 2HB HIS 7 -4.806 -2.715 -1.797 58 HB3 HIS 7 3HB HIS 7 -4.745 -1.286 -2.806 59 HD2 HIS 7 HD2 HIS 7 -6.847 0.138 -2.989 60 HE1 HIS 7 HE1 HIS 7 -9.752 -2.705 -1.698 61 HE2 HIS 7 HE2 HIS 7 -9.363 -0.272 -2.249 62 H LYS 8 H LYS 8 -6.984 -4.510 -4.185 63 HA LYS 8 HA LYS 8 -6.355 -7.071 -3.078 64 HB2 LYS 8 2HB LYS 8 -8.243 -6.454 -5.397 65 HB3 LYS 8 3HB LYS 8 -8.259 -7.886 -4.372 66 HG2 LYS 8 2HG LYS 8 -8.924 -5.027 -3.547 67 HG3 LYS 8 3HG LYS 8 -9.995 -6.396 -3.788 68 HD2 LYS 8 2HD LYS 8 -8.704 -7.585 -1.895 69 HD3 LYS 8 3HD LYS 8 -7.841 -6.082 -1.653 70 HE2 LYS 8 2HE LYS 8 -9.458 -6.095 0.014 71 HE3 LYS 8 3HE LYS 8 -10.028 -4.930 -1.183 72 HZ1 LYS 8 1HZ LYS 8 -11.645 -6.515 -1.927 73 HZ2 LYS 8 2HZ LYS 8 -11.006 -7.743 -1.035 74 HZ3 LYS 8 3HZ LYS 8 -11.736 -6.494 -0.285 75 H ASP 9 H ASP 9 -6.435 -6.195 -6.538 76 HA ASP 9 HA ASP 9 -5.128 -8.380 -7.684 77 HB2 ASP 9 2HB ASP 9 -5.940 -6.343 -8.932 78 HB3 ASP 9 3HB ASP 9 -4.493 -5.515 -8.410 79 H ALA 10 H ALA 10 -3.517 -5.515 -6.323 80 HA ALA 10 HA ALA 10 -0.855 -6.533 -6.508 81 HB1 ALA 10 1HB ALA 10 -1.996 -4.302 -4.807 82 HB2 ALA 10 2HB ALA 10 -0.282 -4.522 -5.220 83 HB3 ALA 10 3HB ALA 10 -1.454 -4.160 -6.499 84 H GLY 11 H GLY 11 -3.202 -7.418 -4.160 85 HA2 GLY 11 2HA GLY 11 -2.898 -9.226 -2.755 86 HA3 GLY 11 3HA GLY 11 -1.161 -9.036 -2.791 87 H TYR 12 H TYR 12 -3.088 -6.242 -1.905 88 HA TYR 12 HA TYR 12 -1.588 -5.916 0.451 89 HB2 TYR 12 2HB TYR 12 -2.302 -3.828 0.392 90 HB3 TYR 12 3HB TYR 12 -3.068 -4.236 -1.116 91 HD1 TYR 12 HD1 TYR 12 -5.577 -5.245 -0.850 92 HD2 TYR 12 HD2 TYR 12 -3.531 -2.915 2.143 93 HE1 TYR 12 HE1 TYR 12 -7.754 -4.678 0.219 94 HE2 TYR 12 HE2 TYR 12 -5.705 -2.399 3.226 95 HH TYR 12 HH TYR 12 -8.830 -3.501 1.866 96 H GLN 13 H GLN 13 -2.263 -5.288 2.554 97 HA GLN 13 HA GLN 13 -4.329 -6.963 3.870 98 HB2 GLN 13 2HB GLN 13 -2.600 -7.496 5.642 99 HB3 GLN 13 3HB GLN 13 -2.382 -8.282 4.108 100 HG2 GLN 13 2HG GLN 13 -0.643 -6.436 3.535 101 HG3 GLN 13 3HG GLN 13 -0.772 -5.989 5.232 102 HE21 GLN 13 1HE2 GLN 13 1.294 -6.361 5.687 103 HE22 GLN 13 2HE2 GLN 13 1.868 -8.008 5.865 104 H GLU 14 H GLU 14 -4.576 -6.274 6.258 105 HA GLU 14 HA GLU 14 -5.016 -3.420 6.253 106 HB2 GLU 14 2HB GLU 14 -6.225 -3.703 8.196 107 HB3 GLU 14 3HB GLU 14 -6.428 -5.262 7.400 108 HG2 GLU 14 2HG GLU 14 -4.646 -6.206 8.872 109 HG3 GLU 14 3HG GLU 14 -4.487 -4.647 9.669 110 H SER 15 H SER 15 -2.127 -5.086 6.969 111 HA SER 15 HA SER 15 -1.118 -2.866 8.625 112 HB2 SER 15 2HB SER 15 -0.382 -4.653 10.395 113 HB3 SER 15 3HB SER 15 -1.994 -3.969 10.447 114 HG SER 15 HG SER 15 -1.832 -6.328 10.642 115 HA PRO 16 HA PRO 16 2.675 -3.393 6.844 116 HB2 PRO 16 2HB PRO 16 4.165 -3.403 9.427 117 HB3 PRO 16 3HB PRO 16 4.317 -2.299 8.051 118 HG2 PRO 16 2HG PRO 16 3.025 -1.638 10.413 119 HG3 PRO 16 3HG PRO 16 2.582 -0.948 8.829 120 HD2 PRO 16 2HD PRO 16 1.129 -3.018 10.422 121 HD3 PRO 16 3HD PRO 16 0.541 -1.848 9.221 122 H ASN 17 H ASN 17 4.112 -4.834 6.085 123 HA ASN 17 HA ASN 17 4.390 -7.552 7.268 124 HB2 ASN 17 2HB ASN 17 3.878 -7.521 4.927 125 HB3 ASN 17 3HB ASN 17 5.063 -6.279 4.601 126 HD21 ASN 17 1HD2 ASN 17 5.570 -7.942 2.885 127 HD22 ASN 17 2HD2 ASN 17 6.835 -9.080 3.305 128 H GLY 18 H GLY 18 5.365 -6.662 9.137 129 HA2 GLY 18 2HA GLY 18 7.109 -6.169 10.543 130 HA3 GLY 18 3HA GLY 18 8.147 -6.904 9.334 131 H ALA 19 H ALA 19 9.492 -5.605 8.164 132 HA ALA 19 HA ALA 19 9.809 -2.796 8.922 133 HB1 ALA 19 1HB ALA 19 11.270 -4.513 6.874 134 HB2 ALA 19 2HB ALA 19 11.793 -2.931 7.480 135 HB3 ALA 19 3HB ALA 19 11.724 -4.318 8.586 136 H LYS 20 H LYS 20 8.060 -4.371 6.337 137 HA LYS 20 HA LYS 20 8.110 -1.908 4.643 138 HB2 LYS 20 2HB LYS 20 7.025 -4.644 3.871 139 HB3 LYS 20 3HB LYS 20 7.242 -3.229 2.854 140 HG2 LYS 20 2HG LYS 20 9.101 -4.376 2.212 141 HG3 LYS 20 3HG LYS 20 9.803 -3.482 3.572 142 HD2 LYS 20 2HD LYS 20 9.383 -5.459 5.022 143 HD3 LYS 20 3HD LYS 20 8.716 -6.335 3.644 144 HE2 LYS 20 2HE LYS 20 10.825 -6.343 2.495 145 HE3 LYS 20 3HE LYS 20 11.563 -5.231 3.654 146 HZ1 LYS 20 1HZ LYS 20 11.672 -6.920 5.267 147 HZ2 LYS 20 2HZ LYS 20 10.493 -7.814 4.588 148 HZ3 LYS 20 3HZ LYS 20 11.981 -7.786 3.910 149 H ARG 21 H ARG 21 6.464 -0.617 4.545 150 HA ARG 21 HA ARG 21 3.708 -1.584 5.034 151 HB2 ARG 21 2HB ARG 21 3.217 -0.296 6.734 152 HB3 ARG 21 3HB ARG 21 4.931 -0.251 7.046 153 HG2 ARG 21 2HG ARG 21 5.001 1.996 5.849 154 HG3 ARG 21 3HG ARG 21 3.236 1.916 5.741 155 HD2 ARG 21 2HD ARG 21 3.405 1.410 8.348 156 HD3 ARG 21 3HD ARG 21 4.969 2.232 8.186 157 HE ARG 21 HE ARG 21 2.862 3.723 6.889 158 HH11 ARG 21 1HH1 ARG 21 3.586 2.887 10.227 159 HH12 ARG 21 2HH1 ARG 21 2.805 4.353 10.791 160 HH21 ARG 21 1HH2 ARG 21 2.113 5.605 7.695 161 HH22 ARG 21 2HH2 ARG 21 2.184 5.873 9.418 162 H CYS 22 H CYS 22 2.172 0.338 4.238 163 HA CYS 22 HA CYS 22 3.146 1.509 1.738 164 HB2 CYS 22 2HB CYS 22 0.626 2.095 3.346 165 HB3 CYS 22 3HB CYS 22 1.009 2.681 1.715 166 H GLY 23 H GLY 23 1.749 3.957 3.614 167 HA2 GLY 23 2HA GLY 23 2.434 5.871 4.637 168 HA3 GLY 23 3HA GLY 23 3.651 4.833 5.368 169 H THR 24 H THR 24 5.578 4.456 3.883 170 HA THR 24 HA THR 24 6.330 6.777 2.163 171 HB THR 24 HB THR 24 8.705 5.979 2.437 172 HG1 THR 24 HG1 THR 24 9.218 4.765 4.161 173 HG21 THR 24 1HG2 THR 24 7.346 6.998 4.973 174 HG22 THR 24 2HG2 THR 24 9.084 7.087 4.609 175 HG23 THR 24 3HG2 THR 24 7.932 7.994 3.621 176 H CYS 25 H CYS 25 6.841 3.240 2.631 177 HA CYS 25 HA CYS 25 7.454 1.587 1.163 178 HB2 CYS 25 2HB CYS 25 5.140 1.508 0.793 179 HB3 CYS 25 3HB CYS 25 5.125 2.905 -0.246 180 H ARG 26 H ARG 26 7.640 1.511 -1.616 181 HA ARG 26 HA ARG 26 9.504 3.733 -2.440 182 HB2 ARG 26 2HB ARG 26 8.621 1.151 -3.772 183 HB3 ARG 26 3HB ARG 26 9.388 2.461 -4.656 184 HG2 ARG 26 2HG ARG 26 11.335 2.355 -3.033 185 HG3 ARG 26 3HG ARG 26 10.602 0.893 -2.360 186 HD2 ARG 26 2HD ARG 26 12.249 0.199 -3.960 187 HD3 ARG 26 3HD ARG 26 10.672 -0.140 -4.656 188 HE ARG 26 HE ARG 26 10.980 1.586 -6.270 189 HH11 ARG 26 1HH1 ARG 26 13.730 1.571 -4.049 190 HH12 ARG 26 2HH1 ARG 26 14.583 2.751 -4.987 191 HH21 ARG 26 1HH2 ARG 26 12.273 2.896 -7.555 192 HH22 ARG 26 2HH2 ARG 26 13.890 3.266 -7.013 193 H GLN 27 H GLN 27 6.186 2.800 -2.453 194 HA GLN 27 HA GLN 27 5.558 4.483 -4.828 195 HB2 GLN 27 2HB GLN 27 4.329 2.010 -3.606 196 HB3 GLN 27 3HB GLN 27 3.726 2.766 -5.068 197 HG2 GLN 27 2HG GLN 27 6.579 1.682 -4.873 198 HG3 GLN 27 3HG GLN 27 5.189 0.706 -5.283 199 HE21 GLN 27 1HE2 GLN 27 3.952 1.208 -7.191 200 HE22 GLN 27 2HE2 GLN 27 4.765 1.953 -8.561 201 H PHE 28 H PHE 28 4.857 4.672 -1.436 202 HA PHE 28 HA PHE 28 2.037 4.981 -1.645 203 HB2 PHE 28 2HB PHE 28 3.268 4.473 0.467 204 HB3 PHE 28 3HB PHE 28 3.822 6.146 0.511 205 HD1 PHE 28 HD1 PHE 28 0.628 4.157 0.163 206 HD2 PHE 28 HD2 PHE 28 2.492 7.741 1.669 207 HE1 PHE 28 HE1 PHE 28 -1.476 4.767 1.321 208 HE2 PHE 28 HE2 PHE 28 0.378 8.356 2.815 209 HZ PHE 28 HZ PHE 28 -1.610 6.874 2.634 210 H ARG 29 H ARG 29 0.655 6.756 -1.624 211 HA ARG 29 HA ARG 29 1.804 9.409 -2.385 212 HB2 ARG 29 2HB ARG 29 1.113 8.163 -4.395 213 HB3 ARG 29 3HB ARG 29 -0.490 7.931 -3.721 214 HG2 ARG 29 2HG ARG 29 -0.588 9.679 -5.348 215 HG3 ARG 29 3HG ARG 29 -0.864 10.386 -3.750 216 HD2 ARG 29 2HD ARG 29 1.526 11.085 -3.693 217 HD3 ARG 29 3HD ARG 29 1.765 10.399 -5.302 218 HE ARG 29 HE ARG 29 -0.339 12.145 -5.710 219 HH11 ARG 29 1HH1 ARG 29 2.892 12.682 -4.365 220 HH12 ARG 29 2HH1 ARG 29 2.840 14.367 -4.898 221 HH21 ARG 29 1HH2 ARG 29 -0.116 14.302 -6.442 222 HH22 ARG 29 2HH2 ARG 29 1.336 15.158 -5.959 223 HA PRO 30 HA PRO 30 -0.787 9.953 1.305 224 HB2 PRO 30 2HB PRO 30 0.394 12.727 1.045 225 HB3 PRO 30 3HB PRO 30 0.130 11.754 2.526 226 HG2 PRO 30 2HG PRO 30 2.595 11.888 1.428 227 HG3 PRO 30 3HG PRO 30 1.961 10.305 1.982 228 HD2 PRO 30 2HD PRO 30 2.041 11.418 -0.835 229 HD3 PRO 30 3HD PRO 30 2.471 9.781 -0.252 230 HA PRO 31 HA PRO 31 -2.201 11.151 2.741 231 HB2 PRO 31 2HB PRO 31 -4.793 11.287 3.453 232 HB3 PRO 31 3HB PRO 31 -3.840 12.741 3.027 233 HG2 PRO 31 2HG PRO 31 -5.739 11.180 1.242 234 HG3 PRO 31 3HG PRO 31 -5.702 12.948 1.530 235 HD2 PRO 31 2HD PRO 31 -4.444 11.770 -0.618 236 HD3 PRO 31 3HD PRO 31 -3.809 13.228 0.183 237 H SER 32 H SER 32 -4.166 9.387 0.365 238 HA SER 32 HA SER 32 -3.795 6.826 1.776 239 HB2 SER 32 2HB SER 32 -6.205 6.346 1.864 240 HB3 SER 32 3HB SER 32 -5.769 7.719 2.882 241 HG SER 32 HG SER 32 -7.661 8.058 1.680 242 H SER 33 H SER 33 -2.837 7.823 -0.772 243 HA SER 33 HA SER 33 -4.185 6.005 -2.734 244 HB2 SER 33 2HB SER 33 -2.782 8.658 -3.203 245 HB3 SER 33 3HB SER 33 -3.314 7.571 -4.474 246 HG SER 33 HG SER 33 -5.022 8.831 -2.568 247 H CYS 34 H CYS 34 -2.537 5.466 -4.571 248 HA CYS 34 HA CYS 34 0.276 5.267 -3.629 249 HB2 CYS 34 2HB CYS 34 -0.780 3.356 -2.625 250 HB3 CYS 34 3HB CYS 34 -1.592 2.940 -4.128 251 H ILE 35 H ILE 35 1.771 4.642 -5.227 252 HA ILE 35 HA ILE 35 1.086 5.391 -8.000 253 HB ILE 35 HB ILE 35 3.683 4.517 -6.693 254 HG12 ILE 35 2HG1 ILE 35 2.782 7.253 -7.725 255 HG13 ILE 35 3HG1 ILE 35 2.743 6.784 -6.034 256 HG21 ILE 35 1HG2 ILE 35 3.688 3.908 -9.112 257 HG22 ILE 35 2HG2 ILE 35 3.264 5.579 -9.524 258 HG23 ILE 35 3HG2 ILE 35 4.820 5.193 -8.767 259 HD11 ILE 35 1HD1 ILE 35 5.237 7.137 -7.727 260 HD12 ILE 35 2HD1 ILE 35 4.691 8.112 -6.358 261 HD13 ILE 35 3HD1 ILE 35 5.228 6.445 -6.085 262 H THR 36 H THR 36 1.366 2.456 -6.078 263 HA THR 36 HA THR 36 1.197 0.684 -8.446 264 HB THR 36 HB THR 36 0.934 -0.048 -5.521 265 HG1 THR 36 HG1 THR 36 2.922 -0.050 -5.343 266 HG21 THR 36 1HG2 THR 36 1.849 -1.702 -7.919 267 HG22 THR 36 2HG2 THR 36 1.634 -2.256 -6.239 268 HG23 THR 36 3HG2 THR 36 0.225 -1.802 -7.201 269 H VAL 37 H VAL 37 -0.861 1.611 -5.628 270 HA VAL 37 HA VAL 37 -3.109 0.142 -6.934 271 HB VAL 37 HB VAL 37 -3.837 -0.593 -4.811 272 HG11 VAL 37 1HG1 VAL 37 -0.851 -1.078 -5.013 273 HG12 VAL 37 2HG1 VAL 37 -2.002 -2.063 -4.156 274 HG13 VAL 37 3HG1 VAL 37 -2.114 -1.932 -5.933 275 HG21 VAL 37 1HG2 VAL 37 -3.163 1.329 -3.366 276 HG22 VAL 37 2HG2 VAL 37 -2.675 -0.237 -2.713 277 HG23 VAL 37 3HG2 VAL 37 -1.471 0.773 -3.494 278 H GLU 38 H GLU 38 -5.249 0.511 -6.298 279 HA GLU 38 HA GLU 38 -6.327 3.057 -6.430 280 HB2 GLU 38 2HB GLU 38 -7.252 0.378 -5.439 281 HB3 GLU 38 3HB GLU 38 -8.241 1.737 -4.961 282 HG2 GLU 38 2HG GLU 38 -7.437 1.173 -7.813 283 HG3 GLU 38 3HG GLU 38 -8.927 0.582 -7.088 284 H SER 39 H SER 39 -7.572 4.261 -5.045 285 HA SER 39 HA SER 39 -6.718 4.412 -2.197 286 HB2 SER 39 2HB SER 39 -6.303 6.441 -3.559 287 HB3 SER 39 3HB SER 39 -8.035 6.533 -3.886 288 HG SER 39 HG SER 39 -6.717 6.711 -1.385 289 HA PRO 40 HA PRO 40 -7.729 5.142 -0.211 290 HB2 PRO 40 2HB PRO 40 -9.012 4.247 1.986 291 HB3 PRO 40 3HB PRO 40 -9.560 5.675 1.054 292 HG2 PRO 40 2HG PRO 40 -10.610 2.838 0.874 293 HG3 PRO 40 3HG PRO 40 -11.543 4.350 1.033 294 HD2 PRO 40 2HD PRO 40 -11.104 3.178 -1.399 295 HD3 PRO 40 3HD PRO 40 -11.188 4.948 -1.201 296 H ILE 41 H ILE 41 -5.903 4.134 -0.009 297 HA ILE 41 HA ILE 41 -5.774 1.306 0.917 298 HB ILE 41 HB ILE 41 -4.578 1.476 -1.134 299 HG12 ILE 41 2HG1 ILE 41 -2.233 1.012 -0.514 300 HG13 ILE 41 3HG1 ILE 41 -2.530 1.572 1.118 301 HG21 ILE 41 1HG2 ILE 41 -3.154 3.921 -0.013 302 HG22 ILE 41 2HG2 ILE 41 -2.684 3.056 -1.487 303 HG23 ILE 41 3HG2 ILE 41 -4.249 3.842 -1.416 304 HD11 ILE 41 1HD1 ILE 41 -3.903 -0.797 -0.242 305 HD12 ILE 41 2HD1 ILE 41 -2.570 -0.898 0.923 306 HD13 ILE 41 3HD1 ILE 41 -4.155 -0.301 1.447 307 H SER 42 H SER 42 -4.821 0.931 2.899 308 HA SER 42 HA SER 42 -4.742 3.071 4.796 309 HB2 SER 42 2HB SER 42 -5.155 0.690 5.333 310 HB3 SER 42 3HB SER 42 -3.424 0.377 5.148 311 HG SER 42 HG SER 42 -3.443 0.964 7.199 312 H GLU 43 H GLU 43 -3.088 4.249 5.661 313 HA GLU 43 HA GLU 43 -0.622 4.381 4.123 314 HB2 GLU 43 2HB GLU 43 -0.033 6.214 5.524 315 HB3 GLU 43 3HB GLU 43 -1.655 6.394 4.900 316 HG2 GLU 43 2HG GLU 43 -2.579 5.607 7.085 317 HG3 GLU 43 3HG GLU 43 -0.933 5.571 7.710 318 H ASN 44 H ASN 44 -1.512 2.208 6.431 319 HA ASN 44 HA ASN 44 1.345 1.545 6.953 320 HB2 ASN 44 2HB ASN 44 0.750 0.485 8.994 321 HB3 ASN 44 3HB ASN 44 -0.031 2.058 9.042 322 HD21 ASN 44 1HD2 ASN 44 -0.975 0.607 10.810 323 HD22 ASN 44 2HD2 ASN 44 -2.612 0.180 10.295 324 H GLY 45 H GLY 45 -0.998 0.702 4.789 325 HA2 GLY 45 2HA GLY 45 -1.784 -1.877 5.356 326 HA3 GLY 45 3HA GLY 45 -1.735 -1.182 3.745 327 H TRP 46 H TRP 46 0.712 -1.118 2.968 328 HA TRP 46 HA TRP 46 2.248 -2.265 1.877 329 HB2 TRP 46 2HB TRP 46 3.096 -3.277 3.966 330 HB3 TRP 46 3HB TRP 46 1.997 -4.622 3.736 331 HD1 TRP 46 HD1 TRP 46 4.797 -2.874 1.700 332 HE1 TRP 46 HE1 TRP 46 5.998 -4.644 0.266 333 HE3 TRP 46 HE3 TRP 46 2.010 -6.993 2.865 334 HZ2 TRP 46 HZ2 TRP 46 6.073 -7.499 0.041 335 HZ3 TRP 46 HZ3 TRP 46 2.626 -9.231 1.967 336 HH2 TRP 46 HH2 TRP 46 4.670 -9.503 0.578 337 H CYS 47 H CYS 47 1.778 -2.840 -0.106 338 HA CYS 47 HA CYS 47 -0.069 -5.116 -0.573 339 HB2 CYS 47 2HB CYS 47 -0.425 -4.454 -2.785 340 HB3 CYS 47 3HB CYS 47 -0.467 -2.917 -1.904 341 H ARG 48 H ARG 48 0.633 -6.681 -2.084 342 HA ARG 48 HA ARG 48 3.209 -7.659 -1.184 343 HB2 ARG 48 2HB ARG 48 0.843 -8.825 -1.528 344 HB3 ARG 48 3HB ARG 48 1.406 -8.977 -3.203 345 HG2 ARG 48 2HG ARG 48 3.505 -10.029 -2.160 346 HG3 ARG 48 3HG ARG 48 2.537 -10.203 -0.676 347 HD2 ARG 48 2HD ARG 48 0.786 -11.397 -1.952 348 HD3 ARG 48 3HD ARG 48 1.714 -11.115 -3.447 349 HE ARG 48 HE ARG 48 3.382 -12.457 -1.548 350 HH11 ARG 48 1HH1 ARG 48 0.497 -13.411 -3.368 351 HH12 ARG 48 2HH1 ARG 48 1.064 -15.067 -3.460 352 HH21 ARG 48 1HH2 ARG 48 3.869 -14.477 -1.534 353 HH22 ARG 48 2HH2 ARG 48 2.922 -15.680 -2.368 354 H LEU 49 H LEU 49 2.482 -5.637 -3.677 355 HA LEU 49 HA LEU 49 4.158 -6.796 -5.772 356 HB2 LEU 49 2HB LEU 49 1.929 -5.248 -5.808 357 HB3 LEU 49 3HB LEU 49 3.125 -3.977 -5.837 358 HG LEU 49 HG LEU 49 2.368 -4.435 -8.056 359 HD11 LEU 49 1HD1 LEU 49 5.096 -5.765 -7.942 360 HD12 LEU 49 2HD1 LEU 49 4.356 -4.903 -9.299 361 HD13 LEU 49 3HD1 LEU 49 4.834 -4.008 -7.846 362 HD21 LEU 49 1HD2 LEU 49 1.524 -6.710 -7.745 363 HD22 LEU 49 2HD2 LEU 49 2.578 -6.609 -9.162 364 HD23 LEU 49 3HD2 LEU 49 3.184 -7.345 -7.672 365 H TYR 50 H TYR 50 4.466 -4.330 -3.253 366 HA TYR 50 HA TYR 50 7.216 -3.687 -4.217 367 HB2 TYR 50 2HB TYR 50 4.834 -1.973 -3.955 368 HB3 TYR 50 3HB TYR 50 6.246 -1.292 -3.197 369 HD1 TYR 50 HD1 TYR 50 8.425 -1.113 -4.495 370 HD2 TYR 50 HD2 TYR 50 4.640 -1.976 -6.356 371 HE1 TYR 50 HE1 TYR 50 9.344 -0.386 -6.706 372 HE2 TYR 50 HE2 TYR 50 5.561 -1.268 -8.565 373 HH TYR 50 HH TYR 50 7.380 -0.431 -9.686 374 H ALA 51 H ALA 51 7.817 -1.769 -2.237 375 HA ALA 51 HA ALA 51 8.250 -3.365 0.180 376 HB1 ALA 51 1HB ALA 51 10.471 -2.796 -1.840 377 HB2 ALA 51 2HB ALA 51 10.664 -3.603 -0.259 378 HB3 ALA 51 3HB ALA 51 9.753 -4.399 -1.552 379 H GLY 52 H GLY 52 9.514 -2.217 1.774 380 HA2 GLY 52 2HA GLY 52 9.404 0.642 1.767 381 HA3 GLY 52 3HA GLY 52 10.191 -0.379 2.960 382 H LYS 53 H LYS 53 11.439 1.902 2.393 383 HA LYS 53 HA LYS 53 13.545 1.688 0.390 384 HB2 LYS 53 2HB LYS 53 12.867 3.566 2.638 385 HB3 LYS 53 3HB LYS 53 14.559 3.426 2.187 386 HG2 LYS 53 2HG LYS 53 13.791 5.233 0.949 387 HG3 LYS 53 3HG LYS 53 13.934 3.909 -0.215 388 HD2 LYS 53 2HD LYS 53 11.526 3.513 -0.113 389 HD3 LYS 53 3HD LYS 53 11.357 4.699 1.207 390 HE2 LYS 53 2HE LYS 53 12.461 6.374 -0.517 391 HE3 LYS 53 3HE LYS 53 11.954 5.188 -1.724 392 HZ1 LYS 53 1HZ LYS 53 10.263 6.772 0.120 393 HZ2 LYS 53 2HZ LYS 53 10.139 6.652 -1.520 394 HZ3 LYS 53 3HZ LYS 53 9.681 5.405 -0.554 395 H ALA 54 H ALA 54 15.052 0.482 0.471 396 HA ALA 54 HA ALA 54 16.320 -0.748 2.861 397 HB1 ALA 54 1HB ALA 54 17.061 -0.950 -0.091 398 HB2 ALA 54 2HB ALA 54 17.762 -1.896 1.238 399 HB3 ALA 54 3HB ALA 54 16.053 -2.101 0.816 Start of MODEL 3 1 H1 VAL 1 1H VAL 1 -8.547 8.757 -17.606 2 H2 VAL 1 2H VAL 1 -8.688 9.459 -19.077 3 H3 VAL 1 3H VAL 1 -7.200 9.070 -18.522 4 HA VAL 1 HA VAL 1 -9.365 7.167 -19.115 5 HB VAL 1 HB VAL 1 -8.038 6.337 -20.983 6 HG11 VAL 1 1HG1 VAL 1 -8.673 9.296 -21.267 7 HG12 VAL 1 2HG1 VAL 1 -8.647 8.066 -22.541 8 HG13 VAL 1 3HG1 VAL 1 -9.882 7.986 -21.277 9 HG21 VAL 1 1HG2 VAL 1 -6.291 8.823 -20.649 10 HG22 VAL 1 2HG2 VAL 1 -5.764 7.144 -20.398 11 HG23 VAL 1 3HG2 VAL 1 -6.264 7.678 -21.999 12 H THR 2 H THR 2 -5.991 7.461 -17.956 13 HA THR 2 HA THR 2 -5.630 4.605 -17.694 14 HB THR 2 HB THR 2 -3.944 6.898 -16.630 15 HG1 THR 2 HG1 THR 2 -3.317 7.173 -18.558 16 HG21 THR 2 1HG2 THR 2 -3.242 4.002 -17.294 17 HG22 THR 2 2HG2 THR 2 -2.060 5.285 -16.955 18 HG23 THR 2 3HG2 THR 2 -3.175 4.773 -15.687 19 H LYS 3 H LYS 3 -5.458 3.364 -15.844 20 HA LYS 3 HA LYS 3 -5.913 4.544 -13.163 21 HB2 LYS 3 2HB LYS 3 -8.083 3.471 -14.544 22 HB3 LYS 3 3HB LYS 3 -7.479 2.048 -13.728 23 HG2 LYS 3 2HG LYS 3 -9.124 2.944 -12.320 24 HG3 LYS 3 3HG LYS 3 -7.597 3.385 -11.538 25 HD2 LYS 3 2HD LYS 3 -7.788 5.687 -12.429 26 HD3 LYS 3 3HD LYS 3 -9.161 5.206 -13.427 27 HE2 LYS 3 2HE LYS 3 -10.062 6.395 -11.600 28 HE3 LYS 3 3HE LYS 3 -10.479 4.696 -11.356 29 HZ1 LYS 3 1HZ LYS 3 -9.629 5.881 -9.328 30 HZ2 LYS 3 2HZ LYS 3 -8.774 4.541 -9.673 31 HZ3 LYS 3 3HZ LYS 3 -8.181 6.039 -10.046 32 H LYS 4 H LYS 4 -4.698 3.541 -11.573 33 HA LYS 4 HA LYS 4 -2.879 1.398 -12.177 34 HB2 LYS 4 2HB LYS 4 -3.779 2.738 -9.599 35 HB3 LYS 4 3HB LYS 4 -2.650 1.390 -9.543 36 HG2 LYS 4 2HG LYS 4 -2.158 3.686 -11.365 37 HG3 LYS 4 3HG LYS 4 -1.696 3.779 -9.661 38 HD2 LYS 4 2HD LYS 4 -0.186 1.804 -10.054 39 HD3 LYS 4 3HD LYS 4 -0.725 1.763 -11.755 40 HE2 LYS 4 2HE LYS 4 -0.069 4.270 -11.767 41 HE3 LYS 4 3HE LYS 4 0.779 3.953 -10.295 42 HZ1 LYS 4 1HZ LYS 4 2.173 3.753 -12.360 43 HZ2 LYS 4 2HZ LYS 4 2.170 2.354 -11.459 44 HZ3 LYS 4 3HZ LYS 4 1.276 2.471 -12.825 45 H ALA 5 H ALA 5 -2.648 -0.360 -10.675 46 HA ALA 5 HA ALA 5 -4.764 -2.357 -11.067 47 HB1 ALA 5 1HB ALA 5 -2.221 -2.499 -9.390 48 HB2 ALA 5 2HB ALA 5 -3.285 -3.864 -9.796 49 HB3 ALA 5 3HB ALA 5 -2.390 -3.029 -11.084 50 H SER 6 H SER 6 -5.944 -3.512 -9.342 51 HA SER 6 HA SER 6 -6.673 -1.703 -7.155 52 HB2 SER 6 2HB SER 6 -8.310 -3.181 -6.469 53 HB3 SER 6 3HB SER 6 -8.351 -3.186 -8.233 54 HG SER 6 HG SER 6 -8.377 -5.261 -7.807 55 H HIS 7 H HIS 7 -6.342 -1.975 -5.061 56 HA HIS 7 HA HIS 7 -3.841 -2.885 -4.004 57 HB2 HIS 7 2HB HIS 7 -5.287 -2.529 -1.834 58 HB3 HIS 7 3HB HIS 7 -4.858 -1.163 -2.845 59 HD2 HIS 7 HD2 HIS 7 -6.740 0.357 -3.679 60 HE1 HIS 7 HE1 HIS 7 -10.052 -2.315 -3.421 61 HE2 HIS 7 HE2 HIS 7 -9.343 0.067 -3.970 62 H LYS 8 H LYS 8 -7.014 -4.359 -4.125 63 HA LYS 8 HA LYS 8 -6.498 -6.813 -2.801 64 HB2 LYS 8 2HB LYS 8 -8.727 -5.890 -3.460 65 HB3 LYS 8 3HB LYS 8 -8.364 -6.290 -5.137 66 HG2 LYS 8 2HG LYS 8 -9.706 -7.997 -4.279 67 HG3 LYS 8 3HG LYS 8 -8.121 -8.715 -4.461 68 HD2 LYS 8 2HD LYS 8 -7.689 -8.539 -2.047 69 HD3 LYS 8 3HD LYS 8 -9.201 -7.632 -1.808 70 HE2 LYS 8 2HE LYS 8 -10.507 -9.580 -2.548 71 HE3 LYS 8 3HE LYS 8 -9.024 -10.485 -2.866 72 HZ1 LYS 8 1HZ LYS 8 -8.513 -10.490 -0.547 73 HZ2 LYS 8 2HZ LYS 8 -9.734 -9.456 -0.161 74 HZ3 LYS 8 3HZ LYS 8 -10.050 -10.992 -0.692 75 H ASP 9 H ASP 9 -6.407 -6.269 -6.337 76 HA ASP 9 HA ASP 9 -5.263 -8.710 -7.168 77 HB2 ASP 9 2HB ASP 9 -6.059 -6.517 -8.470 78 HB3 ASP 9 3HB ASP 9 -4.359 -6.127 -8.419 79 H ALA 10 H ALA 10 -3.617 -5.764 -6.073 80 HA ALA 10 HA ALA 10 -0.926 -6.744 -6.206 81 HB1 ALA 10 1HB ALA 10 -2.262 -4.401 -4.815 82 HB2 ALA 10 2HB ALA 10 -0.514 -4.583 -4.965 83 HB3 ALA 10 3HB ALA 10 -1.512 -4.397 -6.427 84 H GLY 11 H GLY 11 -3.231 -7.833 -4.054 85 HA2 GLY 11 2HA GLY 11 -3.018 -9.144 -2.199 86 HA3 GLY 11 3HA GLY 11 -1.270 -9.170 -2.458 87 H TYR 12 H TYR 12 -3.341 -6.312 -1.726 88 HA TYR 12 HA TYR 12 -1.734 -5.624 0.545 89 HB2 TYR 12 2HB TYR 12 -2.853 -3.716 0.762 90 HB3 TYR 12 3HB TYR 12 -3.039 -4.026 -0.944 91 HD1 TYR 12 HD1 TYR 12 -5.406 -6.055 -0.745 92 HD2 TYR 12 HD2 TYR 12 -4.627 -2.246 1.126 93 HE1 TYR 12 HE1 TYR 12 -7.845 -5.585 -0.674 94 HE2 TYR 12 HE2 TYR 12 -7.066 -1.772 1.164 95 HH TYR 12 HH TYR 12 -9.135 -2.482 0.549 96 H GLN 13 H GLN 13 -2.272 -5.226 2.644 97 HA GLN 13 HA GLN 13 -4.422 -6.857 3.877 98 HB2 GLN 13 2HB GLN 13 -2.849 -7.452 5.736 99 HB3 GLN 13 3HB GLN 13 -2.519 -8.245 4.208 100 HG2 GLN 13 2HG GLN 13 -0.630 -6.755 3.758 101 HG3 GLN 13 3HG GLN 13 -1.003 -5.824 5.217 102 HE21 GLN 13 1HE2 GLN 13 1.100 -6.148 5.933 103 HE22 GLN 13 2HE2 GLN 13 1.343 -7.616 6.848 104 H GLU 14 H GLU 14 -4.616 -6.163 6.296 105 HA GLU 14 HA GLU 14 -5.033 -3.276 6.348 106 HB2 GLU 14 2HB GLU 14 -6.116 -3.646 8.454 107 HB3 GLU 14 3HB GLU 14 -6.626 -4.865 7.288 108 HG2 GLU 14 2HG GLU 14 -5.161 -6.545 8.346 109 HG3 GLU 14 3HG GLU 14 -4.544 -5.328 9.463 110 H SER 15 H SER 15 -2.276 -4.987 6.886 111 HA SER 15 HA SER 15 -1.201 -3.203 9.008 112 HB2 SER 15 2HB SER 15 0.036 -5.459 9.627 113 HB3 SER 15 3HB SER 15 -1.601 -5.135 10.158 114 HG SER 15 HG SER 15 -1.348 -7.253 9.166 115 HA PRO 16 HA PRO 16 2.819 -3.251 6.897 116 HB2 PRO 16 2HB PRO 16 4.136 -3.429 9.534 117 HB3 PRO 16 3HB PRO 16 4.260 -2.155 8.312 118 HG2 PRO 16 2HG PRO 16 2.907 -1.786 10.687 119 HG3 PRO 16 3HG PRO 16 2.411 -1.010 9.147 120 HD2 PRO 16 2HD PRO 16 1.232 -3.517 10.426 121 HD3 PRO 16 3HD PRO 16 0.419 -2.113 9.691 122 H ASN 17 H ASN 17 4.505 -4.741 6.511 123 HA ASN 17 HA ASN 17 4.425 -7.394 7.900 124 HB2 ASN 17 2HB ASN 17 3.497 -7.612 5.613 125 HB3 ASN 17 3HB ASN 17 4.857 -6.772 4.946 126 HD21 ASN 17 1HD2 ASN 17 5.368 -8.699 3.629 127 HD22 ASN 17 2HD2 ASN 17 6.184 -10.058 4.422 128 H GLY 18 H GLY 18 6.156 -7.132 9.276 129 HA2 GLY 18 2HA GLY 18 8.286 -6.664 10.036 130 HA3 GLY 18 3HA GLY 18 8.752 -7.400 8.508 131 H ALA 19 H ALA 19 10.020 -6.210 7.251 132 HA ALA 19 HA ALA 19 10.670 -3.444 7.909 133 HB1 ALA 19 1HB ALA 19 12.375 -5.131 7.310 134 HB2 ALA 19 2HB ALA 19 11.674 -5.265 5.687 135 HB3 ALA 19 3HB ALA 19 12.413 -3.739 6.212 136 H LYS 20 H LYS 20 8.030 -4.556 6.143 137 HA LYS 20 HA LYS 20 8.132 -2.241 4.256 138 HB2 LYS 20 2HB LYS 20 6.725 -4.875 3.732 139 HB3 LYS 20 3HB LYS 20 7.073 -3.543 2.626 140 HG2 LYS 20 2HG LYS 20 8.690 -4.969 1.947 141 HG3 LYS 20 3HG LYS 20 9.606 -4.123 3.190 142 HD2 LYS 20 2HD LYS 20 8.896 -6.059 4.765 143 HD3 LYS 20 3HD LYS 20 8.289 -6.885 3.337 144 HE2 LYS 20 2HE LYS 20 11.151 -5.903 3.763 145 HE3 LYS 20 3HE LYS 20 10.603 -7.544 4.092 146 HZ1 LYS 20 1HZ LYS 20 10.579 -6.249 1.422 147 HZ2 LYS 20 2HZ LYS 20 11.652 -7.361 1.945 148 HZ3 LYS 20 3HZ LYS 20 10.074 -7.783 1.739 149 H ARG 21 H ARG 21 6.500 -0.912 4.145 150 HA ARG 21 HA ARG 21 3.761 -1.606 4.878 151 HB2 ARG 21 2HB ARG 21 3.522 -0.517 6.767 152 HB3 ARG 21 3HB ARG 21 5.260 -0.412 6.888 153 HG2 ARG 21 2HG ARG 21 5.170 1.875 5.867 154 HG3 ARG 21 3HG ARG 21 3.397 1.763 5.808 155 HD2 ARG 21 2HD ARG 21 3.602 1.203 8.368 156 HD3 ARG 21 3HD ARG 21 5.206 1.940 8.208 157 HE ARG 21 HE ARG 21 2.956 3.483 7.075 158 HH11 ARG 21 1HH1 ARG 21 4.656 2.973 10.125 159 HH12 ARG 21 2HH1 ARG 21 4.263 4.600 10.660 160 HH21 ARG 21 1HH2 ARG 21 2.670 5.531 7.791 161 HH22 ARG 21 2HH2 ARG 21 3.107 5.957 9.408 162 H CYS 22 H CYS 22 2.246 0.260 4.127 163 HA CYS 22 HA CYS 22 3.176 1.700 1.817 164 HB2 CYS 22 2HB CYS 22 0.762 2.253 3.582 165 HB3 CYS 22 3HB CYS 22 1.076 2.875 1.951 166 H GLY 23 H GLY 23 1.887 4.018 3.894 167 HA2 GLY 23 2HA GLY 23 2.599 5.913 4.936 168 HA3 GLY 23 3HA GLY 23 3.943 4.912 5.473 169 H THR 24 H THR 24 5.513 4.622 3.445 170 HA THR 24 HA THR 24 5.809 6.974 1.685 171 HB THR 24 HB THR 24 8.296 6.872 1.879 172 HG1 THR 24 HG1 THR 24 9.241 5.804 3.437 173 HG21 THR 24 1HG2 THR 24 6.962 7.632 4.510 174 HG22 THR 24 2HG2 THR 24 8.519 8.216 3.891 175 HG23 THR 24 3HG2 THR 24 7.015 8.658 3.059 176 H CYS 25 H CYS 25 6.831 3.652 2.552 177 HA CYS 25 HA CYS 25 7.383 1.805 1.359 178 HB2 CYS 25 2HB CYS 25 5.067 1.844 0.839 179 HB3 CYS 25 3HB CYS 25 5.245 3.032 -0.405 180 H ARG 26 H ARG 26 7.613 1.754 -1.638 181 HA ARG 26 HA ARG 26 9.324 4.187 -2.163 182 HB2 ARG 26 2HB ARG 26 10.312 2.209 -3.145 183 HB3 ARG 26 3HB ARG 26 8.801 1.776 -3.939 184 HG2 ARG 26 2HG ARG 26 8.935 3.787 -5.370 185 HG3 ARG 26 3HG ARG 26 10.373 4.329 -4.485 186 HD2 ARG 26 2HD ARG 26 11.495 2.195 -5.222 187 HD3 ARG 26 3HD ARG 26 10.100 1.870 -6.264 188 HE ARG 26 HE ARG 26 10.835 4.418 -7.015 189 HH11 ARG 26 1HH1 ARG 26 12.791 1.468 -6.829 190 HH12 ARG 26 2HH1 ARG 26 13.968 2.186 -7.934 191 HH21 ARG 26 1HH2 ARG 26 12.298 5.098 -8.381 192 HH22 ARG 26 2HH2 ARG 26 13.711 4.090 -8.779 193 H GLN 27 H GLN 27 6.179 2.805 -2.293 194 HA GLN 27 HA GLN 27 5.342 4.554 -4.536 195 HB2 GLN 27 2HB GLN 27 4.426 1.863 -3.514 196 HB3 GLN 27 3HB GLN 27 3.758 2.646 -4.940 197 HG2 GLN 27 2HG GLN 27 6.730 1.959 -4.735 198 HG3 GLN 27 3HG GLN 27 5.546 0.793 -5.241 199 HE21 GLN 27 1HE2 GLN 27 4.270 1.236 -7.176 200 HE22 GLN 27 2HE2 GLN 27 5.055 2.138 -8.473 201 H PHE 28 H PHE 28 4.803 4.832 -1.226 202 HA PHE 28 HA PHE 28 1.881 4.907 -1.362 203 HB2 PHE 28 2HB PHE 28 3.108 4.369 0.754 204 HB3 PHE 28 3HB PHE 28 3.654 6.042 0.815 205 HD1 PHE 28 HD1 PHE 28 0.392 4.192 0.251 206 HD2 PHE 28 HD2 PHE 28 2.381 7.476 2.203 207 HE1 PHE 28 HE1 PHE 28 -1.714 4.790 1.406 208 HE2 PHE 28 HE2 PHE 28 0.274 8.042 3.391 209 HZ PHE 28 HZ PHE 28 -1.783 6.714 2.971 210 H ARG 29 H ARG 29 0.503 6.716 -1.299 211 HA ARG 29 HA ARG 29 1.731 9.377 -1.833 212 HB2 ARG 29 2HB ARG 29 1.246 8.193 -3.957 213 HB3 ARG 29 3HB ARG 29 -0.439 8.047 -3.500 214 HG2 ARG 29 2HG ARG 29 -0.095 9.853 -5.085 215 HG3 ARG 29 3HG ARG 29 -0.691 10.490 -3.542 216 HD2 ARG 29 2HD ARG 29 1.555 11.179 -2.910 217 HD3 ARG 29 3HD ARG 29 2.257 10.411 -4.345 218 HE ARG 29 HE ARG 29 0.560 12.164 -5.499 219 HH11 ARG 29 1HH1 ARG 29 3.193 12.592 -3.167 220 HH12 ARG 29 2HH1 ARG 29 3.510 14.209 -3.768 221 HH21 ARG 29 1HH2 ARG 29 1.012 14.297 -6.064 222 HH22 ARG 29 2HH2 ARG 29 2.356 15.096 -5.262 223 HA PRO 30 HA PRO 30 -1.199 9.541 1.635 224 HB2 PRO 30 2HB PRO 30 0.080 12.238 2.026 225 HB3 PRO 30 3HB PRO 30 -0.267 10.970 3.237 226 HG2 PRO 30 2HG PRO 30 2.253 11.369 2.289 227 HG3 PRO 30 3HG PRO 30 1.643 9.724 2.602 228 HD2 PRO 30 2HD PRO 30 1.868 11.179 -0.034 229 HD3 PRO 30 3HD PRO 30 2.217 9.467 0.351 230 HA PRO 31 HA PRO 31 -2.613 10.590 3.186 231 HB2 PRO 31 2HB PRO 31 -5.265 10.806 3.702 232 HB3 PRO 31 3HB PRO 31 -4.143 12.197 3.787 233 HG2 PRO 31 2HG PRO 31 -5.946 11.406 1.471 234 HG3 PRO 31 3HG PRO 31 -5.776 13.018 2.246 235 HD2 PRO 31 2HD PRO 31 -4.417 12.376 -0.018 236 HD3 PRO 31 3HD PRO 31 -3.680 13.390 1.248 237 H SER 32 H SER 32 -4.496 9.523 0.296 238 HA SER 32 HA SER 32 -4.432 6.779 1.406 239 HB2 SER 32 2HB SER 32 -6.827 6.425 1.145 240 HB3 SER 32 3HB SER 32 -6.457 7.674 2.321 241 HG SER 32 HG SER 32 -8.106 8.425 1.153 242 H SER 33 H SER 33 -3.129 8.045 -0.978 243 HA SER 33 HA SER 33 -4.180 6.186 -3.079 244 HB2 SER 33 2HB SER 33 -2.610 8.769 -3.406 245 HB3 SER 33 3HB SER 33 -3.121 7.685 -4.711 246 HG SER 33 HG SER 33 -4.736 9.207 -2.940 247 H CYS 34 H CYS 34 -2.426 5.531 -4.689 248 HA CYS 34 HA CYS 34 0.287 5.249 -3.558 249 HB2 CYS 34 2HB CYS 34 -0.868 3.346 -2.654 250 HB3 CYS 34 3HB CYS 34 -1.555 2.935 -4.207 251 H ILE 35 H ILE 35 1.762 4.323 -5.070 252 HA ILE 35 HA ILE 35 1.296 5.128 -7.908 253 HB ILE 35 HB ILE 35 3.921 4.612 -6.485 254 HG12 ILE 35 2HG1 ILE 35 2.964 6.561 -5.412 255 HG13 ILE 35 3HG1 ILE 35 4.284 7.041 -6.444 256 HG21 ILE 35 1HG2 ILE 35 4.219 4.360 -8.865 257 HG22 ILE 35 2HG2 ILE 35 3.299 5.839 -9.202 258 HG23 ILE 35 3HG2 ILE 35 4.887 5.920 -8.410 259 HD11 ILE 35 1HD1 ILE 35 1.316 7.364 -7.071 260 HD12 ILE 35 2HD1 ILE 35 2.443 8.634 -6.579 261 HD13 ILE 35 3HD1 ILE 35 2.648 7.845 -8.150 262 H THR 36 H THR 36 1.499 2.317 -5.914 263 HA THR 36 HA THR 36 1.795 0.559 -8.331 264 HB THR 36 HB THR 36 1.397 -0.234 -5.435 265 HG1 THR 36 HG1 THR 36 3.355 -0.162 -5.189 266 HG21 THR 36 1HG2 THR 36 2.223 -2.431 -6.189 267 HG22 THR 36 2HG2 THR 36 0.714 -2.017 -6.990 268 HG23 THR 36 3HG2 THR 36 2.242 -1.857 -7.878 269 H VAL 37 H VAL 37 -0.502 1.520 -5.753 270 HA VAL 37 HA VAL 37 -2.656 0.042 -7.184 271 HB VAL 37 HB VAL 37 -3.556 -0.716 -5.148 272 HG11 VAL 37 1HG1 VAL 37 -0.560 -1.187 -5.018 273 HG12 VAL 37 2HG1 VAL 37 -1.806 -2.194 -4.329 274 HG13 VAL 37 3HG1 VAL 37 -1.697 -2.032 -6.102 275 HG21 VAL 37 1HG2 VAL 37 -3.055 1.190 -3.631 276 HG22 VAL 37 2HG2 VAL 37 -2.598 -0.374 -2.945 277 HG23 VAL 37 3HG2 VAL 37 -1.350 0.671 -3.601 278 H GLU 38 H GLU 38 -4.829 0.507 -6.533 279 HA GLU 38 HA GLU 38 -5.643 3.182 -6.901 280 HB2 GLU 38 2HB GLU 38 -6.919 0.547 -6.142 281 HB3 GLU 38 3HB GLU 38 -7.897 1.991 -6.012 282 HG2 GLU 38 2HG GLU 38 -6.378 1.268 -8.533 283 HG3 GLU 38 3HG GLU 38 -8.020 0.704 -8.212 284 H SER 39 H SER 39 -7.333 4.288 -5.631 285 HA SER 39 HA SER 39 -6.769 4.442 -2.709 286 HB2 SER 39 2HB SER 39 -7.548 6.789 -2.862 287 HB3 SER 39 3HB SER 39 -6.134 6.490 -3.879 288 HG SER 39 HG SER 39 -7.353 6.498 -5.668 289 HA PRO 40 HA PRO 40 -7.846 5.571 -0.973 290 HB2 PRO 40 2HB PRO 40 -9.384 5.257 1.218 291 HB3 PRO 40 3HB PRO 40 -9.733 6.483 -0.039 292 HG2 PRO 40 2HG PRO 40 -10.982 3.731 0.267 293 HG3 PRO 40 3HG PRO 40 -11.808 5.301 0.018 294 HD2 PRO 40 2HD PRO 40 -11.240 3.582 -2.049 295 HD3 PRO 40 3HD PRO 40 -11.237 5.353 -2.253 296 H ILE 41 H ILE 41 -6.177 4.574 -0.019 297 HA ILE 41 HA ILE 41 -6.513 1.912 1.313 298 HB ILE 41 HB ILE 41 -4.136 1.495 0.887 299 HG12 ILE 41 2HG1 ILE 41 -4.075 3.580 -1.290 300 HG13 ILE 41 3HG1 ILE 41 -3.678 4.046 0.363 301 HG21 ILE 41 1HG2 ILE 41 -5.748 0.368 -0.466 302 HG22 ILE 41 2HG2 ILE 41 -5.868 1.751 -1.567 303 HG23 ILE 41 3HG2 ILE 41 -4.356 0.824 -1.466 304 HD11 ILE 41 1HD1 ILE 41 -2.260 1.900 -1.247 305 HD12 ILE 41 2HD1 ILE 41 -1.639 3.481 -0.718 306 HD13 ILE 41 3HD1 ILE 41 -1.969 2.228 0.477 307 H SER 42 H SER 42 -4.678 1.517 2.924 308 HA SER 42 HA SER 42 -4.744 3.717 4.903 309 HB2 SER 42 2HB SER 42 -5.337 1.242 5.330 310 HB3 SER 42 3HB SER 42 -3.592 0.966 5.358 311 HG SER 42 HG SER 42 -3.836 1.594 7.372 312 H GLU 43 H GLU 43 -2.846 4.435 5.989 313 HA GLU 43 HA GLU 43 -0.447 4.520 4.327 314 HB2 GLU 43 2HB GLU 43 0.386 6.119 5.865 315 HB3 GLU 43 3HB GLU 43 -1.282 6.522 5.463 316 HG2 GLU 43 2HG GLU 43 -2.065 5.538 7.557 317 HG3 GLU 43 3HG GLU 43 -0.411 5.116 7.994 318 H ASN 44 H ASN 44 -1.442 2.194 6.423 319 HA ASN 44 HA ASN 44 1.364 1.338 7.021 320 HB2 ASN 44 2HB ASN 44 0.423 0.161 8.981 321 HB3 ASN 44 3HB ASN 44 0.181 1.900 9.068 322 HD21 ASN 44 1HD2 ASN 44 -1.225 1.092 10.778 323 HD22 ASN 44 2HD2 ASN 44 -2.906 1.095 10.238 324 H GLY 45 H GLY 45 -1.632 0.375 5.493 325 HA2 GLY 45 2HA GLY 45 -1.213 -2.446 5.636 326 HA3 GLY 45 3HA GLY 45 -2.456 -1.611 4.728 327 H TRP 46 H TRP 46 0.892 -2.609 4.775 328 HA TRP 46 HA TRP 46 1.938 -2.276 2.274 329 HB2 TRP 46 2HB TRP 46 3.021 -3.408 4.209 330 HB3 TRP 46 3HB TRP 46 1.934 -4.756 4.025 331 HD1 TRP 46 HD1 TRP 46 4.620 -3.016 1.824 332 HE1 TRP 46 HE1 TRP 46 5.920 -4.814 0.555 333 HE3 TRP 46 HE3 TRP 46 1.960 -7.148 3.264 334 HZ2 TRP 46 HZ2 TRP 46 6.004 -7.700 0.416 335 HZ3 TRP 46 HZ3 TRP 46 2.625 -9.405 2.459 336 HH2 TRP 46 HH2 TRP 46 4.650 -9.693 1.058 337 H CYS 47 H CYS 47 1.744 -3.040 0.229 338 HA CYS 47 HA CYS 47 -0.023 -5.373 -0.294 339 HB2 CYS 47 2HB CYS 47 -0.431 -4.580 -2.465 340 HB3 CYS 47 3HB CYS 47 -0.513 -3.116 -1.468 341 H ARG 48 H ARG 48 0.670 -7.083 -1.480 342 HA ARG 48 HA ARG 48 3.464 -7.712 -1.146 343 HB2 ARG 48 2HB ARG 48 1.551 -9.309 -1.020 344 HB3 ARG 48 3HB ARG 48 1.366 -9.227 -2.781 345 HG2 ARG 48 2HG ARG 48 4.041 -9.804 -1.583 346 HG3 ARG 48 3HG ARG 48 2.832 -11.081 -1.452 347 HD2 ARG 48 2HD ARG 48 2.557 -11.268 -3.822 348 HD3 ARG 48 3HD ARG 48 3.532 -9.846 -4.148 349 HE ARG 48 HE ARG 48 4.482 -12.551 -3.585 350 HH11 ARG 48 1HH1 ARG 48 5.500 -9.184 -3.635 351 HH12 ARG 48 2HH1 ARG 48 7.182 -9.621 -3.818 352 HH21 ARG 48 1HH2 ARG 48 6.490 -13.025 -3.830 353 HH22 ARG 48 2HH2 ARG 48 7.758 -11.811 -3.962 354 H LEU 49 H LEU 49 1.806 -6.012 -3.605 355 HA LEU 49 HA LEU 49 3.885 -6.444 -5.632 356 HB2 LEU 49 2HB LEU 49 1.323 -6.372 -5.981 357 HB3 LEU 49 3HB LEU 49 1.499 -4.624 -5.849 358 HG LEU 49 HG LEU 49 2.992 -4.648 -7.859 359 HD11 LEU 49 1HD1 LEU 49 2.348 -7.631 -7.853 360 HD12 LEU 49 2HD1 LEU 49 3.040 -6.759 -9.230 361 HD13 LEU 49 3HD1 LEU 49 3.965 -6.891 -7.739 362 HD21 LEU 49 1HD2 LEU 49 0.346 -6.104 -8.254 363 HD22 LEU 49 2HD2 LEU 49 0.546 -4.344 -8.086 364 HD23 LEU 49 3HD2 LEU 49 1.240 -5.183 -9.480 365 H TYR 50 H TYR 50 3.856 -4.510 -2.960 366 HA TYR 50 HA TYR 50 4.753 -2.024 -3.571 367 HB2 TYR 50 2HB TYR 50 5.829 -2.004 -1.522 368 HB3 TYR 50 3HB TYR 50 4.633 -3.246 -1.292 369 HD1 TYR 50 HD1 TYR 50 5.564 -5.746 -1.989 370 HD2 TYR 50 HD2 TYR 50 7.992 -2.400 -0.783 371 HE1 TYR 50 HE1 TYR 50 7.475 -7.291 -1.590 372 HE2 TYR 50 HE2 TYR 50 9.900 -3.951 -0.347 373 HH TYR 50 HH TYR 50 9.713 -7.454 -1.046 374 H ALA 51 H ALA 51 7.026 -1.112 -3.449 375 HA ALA 51 HA ALA 51 9.083 -2.778 -4.805 376 HB1 ALA 51 1HB ALA 51 8.448 0.117 -5.490 377 HB2 ALA 51 2HB ALA 51 9.816 -0.830 -6.113 378 HB3 ALA 51 3HB ALA 51 8.157 -1.295 -6.522 379 H GLY 52 H GLY 52 11.144 -2.555 -4.037 380 HA2 GLY 52 2HA GLY 52 11.403 -1.879 -1.309 381 HA3 GLY 52 3HA GLY 52 12.728 -2.301 -2.385 382 H LYS 53 H LYS 53 12.932 -0.478 -0.249 383 HA LYS 53 HA LYS 53 12.904 2.296 -1.104 384 HB2 LYS 53 2HB LYS 53 14.029 0.792 1.305 385 HB3 LYS 53 3HB LYS 53 14.388 2.480 1.016 386 HG2 LYS 53 2HG LYS 53 12.675 2.389 2.626 387 HG3 LYS 53 3HG LYS 53 11.990 3.069 1.151 388 HD2 LYS 53 2HD LYS 53 10.844 1.044 0.632 389 HD3 LYS 53 3HD LYS 53 11.715 0.127 1.862 390 HE2 LYS 53 2HE LYS 53 9.667 2.339 2.402 391 HE3 LYS 53 3HE LYS 53 9.371 0.603 2.498 392 HZ1 LYS 53 1HZ LYS 53 9.796 1.192 4.695 393 HZ2 LYS 53 2HZ LYS 53 11.289 0.664 4.227 394 HZ3 LYS 53 3HZ LYS 53 10.971 2.257 4.338 395 H ALA 54 H ALA 54 14.607 3.448 -1.159 396 HA ALA 54 HA ALA 54 16.469 4.347 -2.218 397 HB1 ALA 54 1HB ALA 54 17.791 2.174 -0.553 398 HB2 ALA 54 2HB ALA 54 18.525 3.712 -1.068 399 HB3 ALA 54 3HB ALA 54 17.166 3.712 0.065 Start of MODEL 4 1 H1 VAL 1 1H VAL 1 2.772 8.548 -18.654 2 H2 VAL 1 2H VAL 1 1.507 8.004 -19.567 3 H3 VAL 1 3H VAL 1 2.788 7.021 -19.228 4 HA VAL 1 HA VAL 1 2.284 6.893 -16.950 5 HB VAL 1 HB VAL 1 0.070 8.851 -17.624 6 HG11 VAL 1 1HG1 VAL 1 0.517 7.298 -15.030 7 HG12 VAL 1 2HG1 VAL 1 -0.578 8.684 -15.222 8 HG13 VAL 1 3HG1 VAL 1 -0.910 7.194 -16.094 9 HG21 VAL 1 1HG2 VAL 1 2.264 9.887 -17.141 10 HG22 VAL 1 2HG2 VAL 1 1.162 10.168 -15.800 11 HG23 VAL 1 3HG2 VAL 1 2.416 8.919 -15.658 12 H THR 2 H THR 2 1.289 5.036 -16.371 13 HA THR 2 HA THR 2 -0.919 3.947 -18.073 14 HB THR 2 HB THR 2 1.305 3.059 -18.700 15 HG1 THR 2 HG1 THR 2 0.508 1.191 -19.028 16 HG21 THR 2 1HG2 THR 2 2.439 2.961 -16.512 17 HG22 THR 2 2HG2 THR 2 1.279 1.724 -15.970 18 HG23 THR 2 3HG2 THR 2 2.398 1.377 -17.298 19 H LYS 3 H LYS 3 -2.395 2.511 -17.021 20 HA LYS 3 HA LYS 3 -2.831 3.139 -14.215 21 HB2 LYS 3 2HB LYS 3 -4.721 2.974 -15.659 22 HB3 LYS 3 3HB LYS 3 -4.301 1.326 -16.160 23 HG2 LYS 3 2HG LYS 3 -4.810 0.456 -13.951 24 HG3 LYS 3 3HG LYS 3 -4.995 2.095 -13.290 25 HD2 LYS 3 2HD LYS 3 -6.914 2.486 -14.740 26 HD3 LYS 3 3HD LYS 3 -6.760 0.875 -15.462 27 HE2 LYS 3 2HE LYS 3 -7.088 1.263 -12.464 28 HE3 LYS 3 3HE LYS 3 -8.492 1.320 -13.525 29 HZ1 LYS 3 1HZ LYS 3 -8.064 -0.899 -14.249 30 HZ2 LYS 3 2HZ LYS 3 -6.678 -1.038 -13.390 31 HZ3 LYS 3 3HZ LYS 3 -8.106 -0.888 -12.609 32 H LYS 4 H LYS 4 -2.418 2.046 -12.461 33 HA LYS 4 HA LYS 4 -0.649 -0.274 -12.508 34 HB2 LYS 4 2HB LYS 4 -1.858 1.499 -10.345 35 HB3 LYS 4 3HB LYS 4 -0.832 0.138 -9.940 36 HG2 LYS 4 2HG LYS 4 0.366 1.717 -12.102 37 HG3 LYS 4 3HG LYS 4 -0.003 2.746 -10.718 38 HD2 LYS 4 2HD LYS 4 2.302 1.832 -10.743 39 HD3 LYS 4 3HD LYS 4 1.382 1.433 -9.295 40 HE2 LYS 4 2HE LYS 4 0.975 -0.852 -10.137 41 HE3 LYS 4 3HE LYS 4 1.774 -0.436 -11.660 42 HZ1 LYS 4 1HZ LYS 4 3.340 -1.568 -10.355 43 HZ2 LYS 4 2HZ LYS 4 3.798 0.012 -10.239 44 HZ3 LYS 4 3HZ LYS 4 3.035 -0.721 -8.997 45 H ALA 5 H ALA 5 -0.883 -1.945 -10.889 46 HA ALA 5 HA ALA 5 -3.230 -3.632 -11.168 47 HB1 ALA 5 1HB ALA 5 -0.943 -4.498 -10.662 48 HB2 ALA 5 2HB ALA 5 -0.981 -3.632 -9.104 49 HB3 ALA 5 3HB ALA 5 -2.112 -4.966 -9.405 50 H SER 6 H SER 6 -4.911 -4.052 -9.581 51 HA SER 6 HA SER 6 -5.527 -1.735 -7.957 52 HB2 SER 6 2HB SER 6 -7.594 -2.648 -7.450 53 HB3 SER 6 3HB SER 6 -7.273 -3.060 -9.133 54 HG SER 6 HG SER 6 -8.127 -4.796 -8.061 55 H HIS 7 H HIS 7 -5.836 -1.619 -5.759 56 HA HIS 7 HA HIS 7 -4.077 -2.760 -3.866 57 HB2 HIS 7 2HB HIS 7 -5.926 -2.001 -2.273 58 HB3 HIS 7 3HB HIS 7 -5.295 -0.770 -3.371 59 HD2 HIS 7 HD2 HIS 7 -6.954 0.247 -5.220 60 HE1 HIS 7 HE1 HIS 7 -10.401 -2.070 -4.313 61 HE2 HIS 7 HE2 HIS 7 -9.498 -0.139 -5.704 62 H LYS 8 H LYS 8 -7.094 -4.015 -5.153 63 HA LYS 8 HA LYS 8 -7.454 -6.177 -3.272 64 HB2 LYS 8 2HB LYS 8 -9.231 -4.989 -4.674 65 HB3 LYS 8 3HB LYS 8 -8.622 -5.886 -6.054 66 HG2 LYS 8 2HG LYS 8 -10.413 -7.108 -5.316 67 HG3 LYS 8 3HG LYS 8 -9.050 -8.040 -4.714 68 HD2 LYS 8 2HD LYS 8 -9.369 -7.191 -2.439 69 HD3 LYS 8 3HD LYS 8 -10.490 -5.963 -3.018 70 HE2 LYS 8 2HE LYS 8 -11.895 -7.519 -2.041 71 HE3 LYS 8 3HE LYS 8 -12.040 -7.842 -3.767 72 HZ1 LYS 8 1HZ LYS 8 -11.806 -9.840 -2.407 73 HZ2 LYS 8 2HZ LYS 8 -10.559 -9.748 -3.473 74 HZ3 LYS 8 3HZ LYS 8 -10.340 -9.386 -1.873 75 H ASP 9 H ASP 9 -6.492 -6.251 -6.730 76 HA ASP 9 HA ASP 9 -5.596 -8.943 -6.862 77 HB2 ASP 9 2HB ASP 9 -5.069 -6.356 -8.352 78 HB3 ASP 9 3HB ASP 9 -4.053 -7.724 -8.667 79 H ALA 10 H ALA 10 -3.817 -5.974 -5.899 80 HA ALA 10 HA ALA 10 -1.330 -7.325 -5.307 81 HB1 ALA 10 1HB ALA 10 -2.390 -4.611 -4.430 82 HB2 ALA 10 2HB ALA 10 -0.696 -5.139 -4.410 83 HB3 ALA 10 3HB ALA 10 -1.540 -4.930 -5.958 84 H GLY 11 H GLY 11 -4.242 -7.466 -3.642 85 HA2 GLY 11 2HA GLY 11 -4.852 -8.196 -1.629 86 HA3 GLY 11 3HA GLY 11 -3.333 -9.129 -1.619 87 H TYR 12 H TYR 12 -4.087 -5.634 -1.344 88 HA TYR 12 HA TYR 12 -2.252 -5.093 0.709 89 HB2 TYR 12 2HB TYR 12 -2.892 -3.006 0.429 90 HB3 TYR 12 3HB TYR 12 -3.899 -3.579 -0.864 91 HD1 TYR 12 HD1 TYR 12 -6.406 -3.830 -0.485 92 HD2 TYR 12 HD2 TYR 12 -3.772 -2.248 2.529 93 HE1 TYR 12 HE1 TYR 12 -8.354 -2.839 0.717 94 HE2 TYR 12 HE2 TYR 12 -5.683 -1.244 3.707 95 HH TYR 12 HH TYR 12 -7.908 -1.001 3.788 96 H GLN 13 H GLN 13 -2.244 -5.120 2.905 97 HA GLN 13 HA GLN 13 -4.615 -6.280 4.329 98 HB2 GLN 13 2HB GLN 13 -3.156 -7.236 5.961 99 HB3 GLN 13 3HB GLN 13 -2.648 -7.747 4.369 100 HG2 GLN 13 2HG GLN 13 -0.877 -5.890 4.451 101 HG3 GLN 13 3HG GLN 13 -1.326 -5.723 6.143 102 HE21 GLN 13 1HE2 GLN 13 1.038 -6.048 6.147 103 HE22 GLN 13 2HE2 GLN 13 1.344 -7.646 6.779 104 H GLU 14 H GLU 14 -4.638 -5.591 6.724 105 HA GLU 14 HA GLU 14 -4.683 -2.668 6.716 106 HB2 GLU 14 2HB GLU 14 -6.032 -2.859 8.678 107 HB3 GLU 14 3HB GLU 14 -6.524 -4.023 7.445 108 HG2 GLU 14 2HG GLU 14 -5.202 -5.790 8.706 109 HG3 GLU 14 3HG GLU 14 -5.001 -4.610 10.004 110 H SER 15 H SER 15 -2.159 -4.561 7.223 111 HA SER 15 HA SER 15 -0.894 -2.650 9.122 112 HB2 SER 15 2HB SER 15 0.214 -4.685 10.271 113 HB3 SER 15 3HB SER 15 -1.437 -4.288 10.672 114 HG SER 15 HG SER 15 -1.865 -6.281 10.059 115 HA PRO 16 HA PRO 16 2.965 -3.106 6.891 116 HB2 PRO 16 2HB PRO 16 4.306 -3.382 9.543 117 HB3 PRO 16 3HB PRO 16 4.687 -2.259 8.236 118 HG2 PRO 16 2HG PRO 16 3.401 -1.400 10.466 119 HG3 PRO 16 3HG PRO 16 2.885 -0.810 8.857 120 HD2 PRO 16 2HD PRO 16 1.588 -3.011 10.525 121 HD3 PRO 16 3HD PRO 16 0.859 -1.665 9.627 122 H ASN 17 H ASN 17 4.644 -4.636 6.431 123 HA ASN 17 HA ASN 17 4.337 -7.397 7.569 124 HB2 ASN 17 2HB ASN 17 3.310 -7.261 5.378 125 HB3 ASN 17 3HB ASN 17 4.672 -6.433 4.701 126 HD21 ASN 17 1HD2 ASN 17 3.945 -8.477 3.260 127 HD22 ASN 17 2HD2 ASN 17 4.761 -9.986 3.645 128 H GLY 18 H GLY 18 6.110 -7.518 8.909 129 HA2 GLY 18 2HA GLY 18 8.291 -7.451 9.642 130 HA3 GLY 18 3HA GLY 18 8.740 -7.807 7.970 131 H ALA 19 H ALA 19 10.075 -6.381 7.136 132 HA ALA 19 HA ALA 19 10.422 -3.686 8.228 133 HB1 ALA 19 1HB ALA 19 12.327 -5.161 7.680 134 HB2 ALA 19 2HB ALA 19 11.865 -5.116 5.962 135 HB3 ALA 19 3HB ALA 19 12.392 -3.634 6.789 136 H LYS 20 H LYS 20 8.043 -4.615 6.139 137 HA LYS 20 HA LYS 20 8.319 -2.253 4.324 138 HB2 LYS 20 2HB LYS 20 6.723 -4.799 3.862 139 HB3 LYS 20 3HB LYS 20 7.008 -3.476 2.749 140 HG2 LYS 20 2HG LYS 20 8.554 -4.887 1.913 141 HG3 LYS 20 3HG LYS 20 9.578 -4.137 3.155 142 HD2 LYS 20 2HD LYS 20 9.028 -6.024 4.663 143 HD3 LYS 20 3HD LYS 20 8.044 -6.769 3.397 144 HE2 LYS 20 2HE LYS 20 10.023 -6.955 1.943 145 HE3 LYS 20 3HE LYS 20 11.024 -6.140 3.155 146 HZ1 LYS 20 1HZ LYS 20 10.653 -7.986 4.658 147 HZ2 LYS 20 2HZ LYS 20 9.622 -8.716 3.619 148 HZ3 LYS 20 3HZ LYS 20 11.232 -8.562 3.232 149 H ARG 21 H ARG 21 6.798 -0.708 4.273 150 HA ARG 21 HA ARG 21 4.006 -1.457 4.588 151 HB2 ARG 21 2HB ARG 21 3.343 -0.151 6.325 152 HB3 ARG 21 3HB ARG 21 4.949 -0.576 6.911 153 HG2 ARG 21 2HG ARG 21 5.814 1.625 6.092 154 HG3 ARG 21 3HG ARG 21 4.162 2.012 5.553 155 HD2 ARG 21 2HD ARG 21 3.385 1.621 7.925 156 HD3 ARG 21 3HD ARG 21 5.078 1.623 8.411 157 HE ARG 21 HE ARG 21 3.412 3.877 7.468 158 HH11 ARG 21 1HH1 ARG 21 6.761 2.960 8.282 159 HH12 ARG 21 2HH1 ARG 21 7.180 4.659 8.475 160 HH21 ARG 21 1HH2 ARG 21 4.086 5.865 8.067 161 HH22 ARG 21 2HH2 ARG 21 5.810 6.175 8.355 162 H CYS 22 H CYS 22 2.540 0.426 3.838 163 HA CYS 22 HA CYS 22 3.296 1.527 1.451 164 HB2 CYS 22 2HB CYS 22 1.275 2.476 3.540 165 HB3 CYS 22 3HB CYS 22 1.248 2.893 1.814 166 H GLY 23 H GLY 23 3.156 3.376 4.527 167 HA2 GLY 23 2HA GLY 23 4.265 5.808 3.684 168 HA3 GLY 23 3HA GLY 23 4.333 5.133 5.310 169 H THR 24 H THR 24 6.007 2.831 3.743 170 HA THR 24 HA THR 24 8.527 4.367 3.334 171 HB THR 24 HB THR 24 9.760 2.278 3.404 172 HG1 THR 24 HG1 THR 24 8.954 0.458 3.980 173 HG21 THR 24 1HG2 THR 24 8.173 2.771 5.962 174 HG22 THR 24 2HG2 THR 24 9.758 1.981 5.833 175 HG23 THR 24 3HG2 THR 24 9.595 3.699 5.436 176 H CYS 25 H CYS 25 7.361 1.303 2.005 177 HA CYS 25 HA CYS 25 7.581 0.508 -0.220 178 HB2 CYS 25 2HB CYS 25 5.248 1.016 0.425 179 HB3 CYS 25 3HB CYS 25 5.393 2.613 -0.299 180 H ARG 26 H ARG 26 6.622 2.039 -2.485 181 HA ARG 26 HA ARG 26 8.922 3.873 -3.065 182 HB2 ARG 26 2HB ARG 26 8.623 1.678 -4.455 183 HB3 ARG 26 3HB ARG 26 7.281 2.534 -5.209 184 HG2 ARG 26 2HG ARG 26 9.070 2.918 -6.636 185 HG3 ARG 26 3HG ARG 26 8.998 4.422 -5.703 186 HD2 ARG 26 2HD ARG 26 10.828 3.528 -4.218 187 HD3 ARG 26 3HD ARG 26 10.866 2.059 -5.204 188 HE ARG 26 HE ARG 26 11.332 4.690 -6.535 189 HH11 ARG 26 1HH1 ARG 26 12.923 1.773 -5.326 190 HH12 ARG 26 2HH1 ARG 26 14.382 2.207 -6.237 191 HH21 ARG 26 1HH2 ARG 26 13.152 4.830 -7.848 192 HH22 ARG 26 2HH2 ARG 26 14.545 3.838 -7.408 193 H GLN 27 H GLN 27 5.330 3.362 -3.547 194 HA GLN 27 HA GLN 27 5.114 6.336 -3.607 195 HB2 GLN 27 2HB GLN 27 4.042 4.576 -5.837 196 HB3 GLN 27 3HB GLN 27 3.795 6.307 -5.634 197 HG2 GLN 27 2HG GLN 27 6.337 6.569 -5.769 198 HG3 GLN 27 3HG GLN 27 6.369 4.902 -6.370 199 HE21 GLN 27 1HE2 GLN 27 4.868 8.120 -6.933 200 HE22 GLN 27 2HE2 GLN 27 4.820 7.952 -8.695 201 H PHE 28 H PHE 28 4.202 5.283 -1.356 202 HA PHE 28 HA PHE 28 1.297 5.033 -1.435 203 HB2 PHE 28 2HB PHE 28 2.461 4.447 0.579 204 HB3 PHE 28 3HB PHE 28 3.186 6.049 0.715 205 HD1 PHE 28 HD1 PHE 28 -0.241 4.475 0.435 206 HD2 PHE 28 HD2 PHE 28 2.201 7.514 2.274 207 HE1 PHE 28 HE1 PHE 28 -2.208 5.295 1.709 208 HE2 PHE 28 HE2 PHE 28 0.233 8.281 3.587 209 HZ PHE 28 HZ PHE 28 -1.974 7.191 3.292 210 H ARG 29 H ARG 29 -0.278 6.686 -1.193 211 HA ARG 29 HA ARG 29 0.594 9.464 -1.899 212 HB2 ARG 29 2HB ARG 29 -0.115 8.237 -3.879 213 HB3 ARG 29 3HB ARG 29 -1.642 7.823 -3.120 214 HG2 ARG 29 2HG ARG 29 -2.017 9.600 -4.676 215 HG3 ARG 29 3HG ARG 29 -2.259 10.239 -3.048 216 HD2 ARG 29 2HD ARG 29 0.029 11.193 -3.104 217 HD3 ARG 29 3HD ARG 29 0.256 10.563 -4.736 218 HE ARG 29 HE ARG 29 -2.079 12.000 -5.005 219 HH11 ARG 29 1HH1 ARG 29 1.164 13.125 -4.037 220 HH12 ARG 29 2HH1 ARG 29 0.797 14.709 -4.688 221 HH21 ARG 29 1HH2 ARG 29 -2.329 13.873 -5.803 222 HH22 ARG 29 2HH2 ARG 29 -1.107 15.126 -5.722 223 HA PRO 30 HA PRO 30 -1.866 9.837 1.954 224 HB2 PRO 30 2HB PRO 30 -0.538 12.538 1.806 225 HB3 PRO 30 3HB PRO 30 -0.773 11.481 3.227 226 HG2 PRO 30 2HG PRO 30 1.641 11.686 1.967 227 HG3 PRO 30 3HG PRO 30 1.070 10.125 2.615 228 HD2 PRO 30 2HD PRO 30 1.070 11.091 -0.238 229 HD3 PRO 30 3HD PRO 30 1.376 9.456 0.413 230 HA PRO 31 HA PRO 31 -3.175 11.078 3.395 231 HB2 PRO 31 2HB PRO 31 -5.765 11.424 4.106 232 HB3 PRO 31 3HB PRO 31 -4.652 12.800 3.841 233 HG2 PRO 31 2HG PRO 31 -6.613 11.601 1.847 234 HG3 PRO 31 3HG PRO 31 -6.460 13.321 2.339 235 HD2 PRO 31 2HD PRO 31 -5.219 12.408 0.118 236 HD3 PRO 31 3HD PRO 31 -4.396 13.559 1.197 237 H SER 32 H SER 32 -5.117 9.537 0.838 238 HA SER 32 HA SER 32 -5.240 7.040 2.446 239 HB2 SER 32 2HB SER 32 -7.636 6.882 2.308 240 HB3 SER 32 3HB SER 32 -7.243 8.468 2.987 241 HG SER 32 HG SER 32 -8.016 7.821 0.336 242 H SER 33 H SER 33 -3.741 7.543 -0.004 243 HA SER 33 HA SER 33 -5.077 5.623 -1.863 244 HB2 SER 33 2HB SER 33 -3.910 8.334 -2.579 245 HB3 SER 33 3HB SER 33 -4.513 7.137 -3.723 246 HG SER 33 HG SER 33 -5.887 8.804 -1.966 247 H CYS 34 H CYS 34 -3.531 5.094 -3.751 248 HA CYS 34 HA CYS 34 -0.668 5.129 -2.979 249 HB2 CYS 34 2HB CYS 34 -1.661 2.922 -2.296 250 HB3 CYS 34 3HB CYS 34 -2.079 2.637 -4.004 251 H ILE 35 H ILE 35 0.714 4.821 -4.766 252 HA ILE 35 HA ILE 35 -0.426 5.036 -7.502 253 HB ILE 35 HB ILE 35 1.710 6.839 -6.329 254 HG12 ILE 35 2HG1 ILE 35 -0.948 7.351 -7.739 255 HG13 ILE 35 3HG1 ILE 35 -0.627 7.545 -6.024 256 HG21 ILE 35 1HG2 ILE 35 1.026 6.494 -9.284 257 HG22 ILE 35 2HG2 ILE 35 2.047 7.787 -8.609 258 HG23 ILE 35 3HG2 ILE 35 2.587 6.138 -8.505 259 HD11 ILE 35 1HD1 ILE 35 0.433 9.285 -8.264 260 HD12 ILE 35 2HD1 ILE 35 -0.653 9.718 -6.945 261 HD13 ILE 35 3HD1 ILE 35 1.050 9.349 -6.594 262 H THR 36 H THR 36 1.554 3.298 -5.340 263 HA THR 36 HA THR 36 2.800 1.836 -7.604 264 HB THR 36 HB THR 36 3.363 0.303 -5.412 265 HG1 THR 36 HG1 THR 36 2.993 1.638 -3.810 266 HG21 THR 36 1HG2 THR 36 4.884 1.032 -7.252 267 HG22 THR 36 2HG2 THR 36 5.054 2.601 -6.445 268 HG23 THR 36 3HG2 THR 36 5.592 1.103 -5.636 269 H VAL 37 H VAL 37 -0.016 1.719 -5.561 270 HA VAL 37 HA VAL 37 -1.113 -0.206 -7.551 271 HB VAL 37 HB VAL 37 -2.600 -1.212 -5.890 272 HG11 VAL 37 1HG1 VAL 37 0.325 -1.536 -5.182 273 HG12 VAL 37 2HG1 VAL 37 -0.977 -2.664 -4.831 274 HG13 VAL 37 3HG1 VAL 37 -0.535 -2.337 -6.524 275 HG21 VAL 37 1HG2 VAL 37 -2.640 0.491 -4.121 276 HG22 VAL 37 2HG2 VAL 37 -2.142 -1.079 -3.483 277 HG23 VAL 37 3HG2 VAL 37 -0.924 0.167 -3.762 278 H GLU 38 H GLU 38 -3.699 -0.064 -7.364 279 HA GLU 38 HA GLU 38 -4.532 2.695 -7.662 280 HB2 GLU 38 2HB GLU 38 -6.136 0.130 -7.346 281 HB3 GLU 38 3HB GLU 38 -6.854 1.714 -7.580 282 HG2 GLU 38 2HG GLU 38 -5.551 2.023 -9.641 283 HG3 GLU 38 3HG GLU 38 -4.955 0.370 -9.515 284 H SER 39 H SER 39 -6.115 3.777 -6.514 285 HA SER 39 HA SER 39 -5.956 3.733 -3.578 286 HB2 SER 39 2HB SER 39 -7.499 5.735 -3.867 287 HB3 SER 39 3HB SER 39 -5.927 5.881 -4.677 288 HG SER 39 HG SER 39 -7.895 6.454 -5.906 289 HA PRO 40 HA PRO 40 -7.350 4.596 -1.899 290 HB2 PRO 40 2HB PRO 40 -8.944 4.111 0.185 291 HB3 PRO 40 3HB PRO 40 -9.516 5.040 -1.234 292 HG2 PRO 40 2HG PRO 40 -9.998 2.112 -0.610 293 HG3 PRO 40 3HG PRO 40 -11.180 3.344 -1.150 294 HD2 PRO 40 2HD PRO 40 -9.906 1.571 -2.866 295 HD3 PRO 40 3HD PRO 40 -10.505 3.179 -3.358 296 H ILE 41 H ILE 41 -6.093 4.279 -0.061 297 HA ILE 41 HA ILE 41 -5.373 1.612 0.965 298 HB ILE 41 HB ILE 41 -3.629 3.317 -0.816 299 HG12 ILE 41 2HG1 ILE 41 -4.710 1.441 -1.909 300 HG13 ILE 41 3HG1 ILE 41 -2.985 1.192 -1.839 301 HG21 ILE 41 1HG2 ILE 41 -2.404 1.373 1.179 302 HG22 ILE 41 2HG2 ILE 41 -1.588 2.090 -0.202 303 HG23 ILE 41 3HG2 ILE 41 -2.149 3.128 1.079 304 HD11 ILE 41 1HD1 ILE 41 -3.969 -0.908 -1.388 305 HD12 ILE 41 2HD1 ILE 41 -3.342 -0.355 0.156 306 HD13 ILE 41 3HD1 ILE 41 -5.086 -0.242 -0.185 307 H SER 42 H SER 42 -3.527 1.970 2.674 308 HA SER 42 HA SER 42 -4.029 4.447 4.287 309 HB2 SER 42 2HB SER 42 -5.249 2.591 5.277 310 HB3 SER 42 3HB SER 42 -3.831 1.543 5.169 311 HG SER 42 HG SER 42 -3.450 2.180 7.084 312 H GLU 43 H GLU 43 -2.096 5.174 5.540 313 HA GLU 43 HA GLU 43 0.382 4.630 4.246 314 HB2 GLU 43 2HB GLU 43 1.445 5.985 5.798 315 HB3 GLU 43 3HB GLU 43 -0.128 6.706 5.541 316 HG2 GLU 43 2HG GLU 43 -0.757 6.463 7.670 317 HG3 GLU 43 3HG GLU 43 -0.084 4.861 7.872 318 H ASN 44 H ASN 44 -1.198 2.680 6.472 319 HA ASN 44 HA ASN 44 1.246 1.088 7.088 320 HB2 ASN 44 2HB ASN 44 0.027 0.200 8.992 321 HB3 ASN 44 3HB ASN 44 0.031 1.953 9.063 322 HD21 ASN 44 1HD2 ASN 44 -1.547 1.810 10.586 323 HD22 ASN 44 2HD2 ASN 44 -3.213 1.661 10.082 324 H GLY 45 H GLY 45 -0.954 1.118 4.684 325 HA2 GLY 45 2HA GLY 45 -2.304 -1.395 5.059 326 HA3 GLY 45 3HA GLY 45 -2.501 -0.261 3.728 327 H TRP 46 H TRP 46 0.293 -2.306 4.803 328 HA TRP 46 HA TRP 46 1.515 -2.248 2.346 329 HB2 TRP 46 2HB TRP 46 2.578 -3.088 4.413 330 HB3 TRP 46 3HB TRP 46 1.604 -4.542 4.310 331 HD1 TRP 46 HD1 TRP 46 4.450 -2.774 2.441 332 HE1 TRP 46 HE1 TRP 46 5.691 -4.437 0.948 333 HE3 TRP 46 HE3 TRP 46 1.451 -6.863 3.084 334 HZ2 TRP 46 HZ2 TRP 46 5.458 -7.186 0.151 335 HZ3 TRP 46 HZ3 TRP 46 1.865 -8.930 1.753 336 HH2 TRP 46 HH2 TRP 46 3.887 -9.112 0.319 337 H CYS 47 H CYS 47 1.472 -3.139 0.406 338 HA CYS 47 HA CYS 47 -0.178 -5.574 -0.096 339 HB2 CYS 47 2HB CYS 47 -1.045 -4.595 -2.040 340 HB3 CYS 47 3HB CYS 47 -0.922 -3.162 -0.985 341 H ARG 48 H ARG 48 0.427 -6.733 -2.032 342 HA ARG 48 HA ARG 48 3.196 -7.565 -1.972 343 HB2 ARG 48 2HB ARG 48 0.925 -8.161 -3.919 344 HB3 ARG 48 3HB ARG 48 2.448 -9.052 -3.834 345 HG2 ARG 48 2HG ARG 48 1.956 -9.888 -1.626 346 HG3 ARG 48 3HG ARG 48 0.503 -8.878 -1.478 347 HD2 ARG 48 2HD ARG 48 -0.585 -10.014 -3.307 348 HD3 ARG 48 3HD ARG 48 0.899 -10.889 -3.693 349 HE ARG 48 HE ARG 48 -0.522 -11.254 -1.060 350 HH11 ARG 48 1HH1 ARG 48 0.704 -12.889 -3.973 351 HH12 ARG 48 2HH1 ARG 48 0.550 -14.437 -3.142 352 HH21 ARG 48 1HH2 ARG 48 -0.759 -13.184 -0.292 353 HH22 ARG 48 2HH2 ARG 48 -0.318 -14.617 -1.244 354 H LEU 49 H LEU 49 1.772 -4.943 -3.654 355 HA LEU 49 HA LEU 49 3.783 -5.048 -5.847 356 HB2 LEU 49 2HB LEU 49 1.062 -3.898 -5.558 357 HB3 LEU 49 3HB LEU 49 2.195 -2.944 -6.490 358 HG LEU 49 HG LEU 49 0.821 -4.364 -7.899 359 HD11 LEU 49 1HD1 LEU 49 3.133 -3.787 -8.616 360 HD12 LEU 49 2HD1 LEU 49 3.698 -5.351 -7.996 361 HD13 LEU 49 3HD1 LEU 49 2.525 -5.292 -9.323 362 HD21 LEU 49 1HD2 LEU 49 0.509 -6.289 -6.362 363 HD22 LEU 49 2HD2 LEU 49 1.015 -6.775 -7.988 364 HD23 LEU 49 3HD2 LEU 49 2.187 -6.774 -6.656 365 H TYR 50 H TYR 50 3.602 -3.803 -2.770 366 HA TYR 50 HA TYR 50 5.199 -1.589 -2.630 367 HB2 TYR 50 2HB TYR 50 4.710 -3.027 -0.748 368 HB3 TYR 50 3HB TYR 50 5.551 -4.381 -1.475 369 HD1 TYR 50 HD1 TYR 50 8.050 -4.389 -1.665 370 HD2 TYR 50 HD2 TYR 50 5.908 -1.421 0.614 371 HE1 TYR 50 HE1 TYR 50 10.149 -3.769 -0.515 372 HE2 TYR 50 HE2 TYR 50 8.010 -0.874 1.859 373 HH TYR 50 HH TYR 50 10.249 -1.371 2.155 374 H ALA 51 H ALA 51 7.294 -0.984 -3.115 375 HA ALA 51 HA ALA 51 9.144 -2.942 -4.345 376 HB1 ALA 51 1HB ALA 51 8.652 -0.203 -5.571 377 HB2 ALA 51 2HB ALA 51 9.715 -1.494 -6.170 378 HB3 ALA 51 3HB ALA 51 7.959 -1.708 -6.182 379 H GLY 52 H GLY 52 11.360 -2.466 -4.068 380 HA2 GLY 52 2HA GLY 52 11.877 -1.313 -1.506 381 HA3 GLY 52 3HA GLY 52 13.057 -2.063 -2.564 382 H LYS 53 H LYS 53 13.662 0.104 -1.014 383 HA LYS 53 HA LYS 53 13.577 2.611 -2.526 384 HB2 LYS 53 2HB LYS 53 13.607 1.766 0.198 385 HB3 LYS 53 3HB LYS 53 15.145 2.568 -0.054 386 HG2 LYS 53 2HG LYS 53 13.551 4.113 0.782 387 HG3 LYS 53 3HG LYS 53 13.926 4.567 -0.905 388 HD2 LYS 53 2HD LYS 53 11.800 3.635 -1.636 389 HD3 LYS 53 3HD LYS 53 11.500 3.007 0.006 390 HE2 LYS 53 2HE LYS 53 11.377 5.221 0.935 391 HE3 LYS 53 3HE LYS 53 12.001 5.963 -0.548 392 HZ1 LYS 53 1HZ LYS 53 10.029 5.421 -1.680 393 HZ2 LYS 53 2HZ LYS 53 9.432 4.509 -0.426 394 HZ3 LYS 53 3HZ LYS 53 9.556 6.155 -0.300 395 H ALA 54 H ALA 54 14.838 2.514 -4.233 396 HA ALA 54 HA ALA 54 17.753 2.612 -4.039 397 HB1 ALA 54 1HB ALA 54 17.388 0.168 -4.038 398 HB2 ALA 54 2HB ALA 54 16.409 0.296 -5.514 399 HB3 ALA 54 3HB ALA 54 18.141 0.682 -5.556 Start of MODEL 5 1 H1 VAL 1 1H VAL 1 -7.656 9.137 -14.504 2 H2 VAL 1 2H VAL 1 -7.114 10.137 -15.681 3 H3 VAL 1 3H VAL 1 -6.634 8.572 -15.658 4 HA VAL 1 HA VAL 1 -9.382 9.527 -16.107 5 HB VAL 1 HB VAL 1 -9.204 8.581 -18.369 6 HG11 VAL 1 1HG1 VAL 1 -7.216 10.824 -17.830 7 HG12 VAL 1 2HG1 VAL 1 -8.116 10.510 -19.320 8 HG13 VAL 1 3HG1 VAL 1 -8.985 11.010 -17.864 9 HG21 VAL 1 1HG2 VAL 1 -7.217 7.099 -18.138 10 HG22 VAL 1 2HG2 VAL 1 -7.026 8.278 -19.434 11 HG23 VAL 1 3HG2 VAL 1 -6.183 8.529 -17.900 12 H THR 2 H THR 2 -7.349 6.570 -15.755 13 HA THR 2 HA THR 2 -9.883 5.052 -15.269 14 HB THR 2 HB THR 2 -8.843 4.574 -17.482 15 HG1 THR 2 HG1 THR 2 -9.381 2.558 -17.313 16 HG21 THR 2 1HG2 THR 2 -6.707 3.133 -15.855 17 HG22 THR 2 2HG2 THR 2 -6.931 3.092 -17.612 18 HG23 THR 2 3HG2 THR 2 -6.430 4.599 -16.829 19 H LYS 3 H LYS 3 -9.117 2.803 -14.228 20 HA LYS 3 HA LYS 3 -8.262 3.738 -11.562 21 HB2 LYS 3 2HB LYS 3 -10.459 2.491 -12.267 22 HB3 LYS 3 3HB LYS 3 -9.469 1.040 -12.158 23 HG2 LYS 3 2HG LYS 3 -9.014 1.527 -9.768 24 HG3 LYS 3 3HG LYS 3 -9.908 3.059 -9.917 25 HD2 LYS 3 2HD LYS 3 -11.940 1.726 -10.625 26 HD3 LYS 3 3HD LYS 3 -11.038 0.254 -10.323 27 HE2 LYS 3 2HE LYS 3 -12.524 0.698 -8.479 28 HE3 LYS 3 3HE LYS 3 -10.860 0.851 -7.916 29 HZ1 LYS 3 1HZ LYS 3 -11.083 3.228 -7.925 30 HZ2 LYS 3 2HZ LYS 3 -12.525 3.175 -8.725 31 HZ3 LYS 3 3HZ LYS 3 -12.406 2.663 -7.167 32 H LYS 4 H LYS 4 -6.825 2.720 -10.210 33 HA LYS 4 HA LYS 4 -4.534 1.318 -11.373 34 HB2 LYS 4 2HB LYS 4 -5.333 2.233 -8.598 35 HB3 LYS 4 3HB LYS 4 -3.937 1.194 -8.795 36 HG2 LYS 4 2HG LYS 4 -4.029 3.455 -10.686 37 HG3 LYS 4 3HG LYS 4 -3.904 3.937 -8.991 38 HD2 LYS 4 2HD LYS 4 -1.741 3.845 -10.153 39 HD3 LYS 4 3HD LYS 4 -1.817 2.772 -8.748 40 HE2 LYS 4 2HE LYS 4 -1.913 0.837 -10.049 41 HE3 LYS 4 3HE LYS 4 -2.495 1.683 -11.474 42 HZ1 LYS 4 1HZ LYS 4 -0.139 0.975 -11.628 43 HZ2 LYS 4 2HZ LYS 4 -0.341 2.595 -11.856 44 HZ3 LYS 4 3HZ LYS 4 0.246 2.039 -10.432 45 H ALA 5 H ALA 5 -3.707 -0.540 -9.915 46 HA ALA 5 HA ALA 5 -5.438 -2.867 -10.382 47 HB1 ALA 5 1HB ALA 5 -2.811 -2.607 -8.852 48 HB2 ALA 5 2HB ALA 5 -3.606 -4.124 -9.314 49 HB3 ALA 5 3HB ALA 5 -2.969 -3.044 -10.569 50 H SER 6 H SER 6 -6.488 -4.151 -8.715 51 HA SER 6 HA SER 6 -7.340 -2.623 -6.421 52 HB2 SER 6 2HB SER 6 -8.717 -4.303 -5.821 53 HB3 SER 6 3HB SER 6 -8.586 -4.592 -7.558 54 HG SER 6 HG SER 6 -8.249 -6.547 -6.643 55 H HIS 7 H HIS 7 -6.989 -3.058 -4.292 56 HA HIS 7 HA HIS 7 -4.378 -3.252 -3.203 57 HB2 HIS 7 2HB HIS 7 -5.954 -4.060 -1.148 58 HB3 HIS 7 3HB HIS 7 -5.892 -2.385 -1.686 59 HD2 HIS 7 HD2 HIS 7 -8.013 -1.370 -2.937 60 HE1 HIS 7 HE1 HIS 7 -10.405 -4.891 -3.133 61 HE2 HIS 7 HE2 HIS 7 -10.303 -2.395 -3.681 62 H LYS 8 H LYS 8 -6.858 -5.750 -3.263 63 HA LYS 8 HA LYS 8 -5.357 -8.019 -2.499 64 HB2 LYS 8 2HB LYS 8 -7.776 -8.031 -2.641 65 HB3 LYS 8 3HB LYS 8 -7.717 -7.817 -4.391 66 HG2 LYS 8 2HG LYS 8 -8.166 -10.085 -3.864 67 HG3 LYS 8 3HG LYS 8 -6.615 -10.025 -4.658 68 HD2 LYS 8 2HD LYS 8 -5.464 -10.236 -2.450 69 HD3 LYS 8 3HD LYS 8 -7.046 -10.266 -1.646 70 HE2 LYS 8 2HE LYS 8 -7.621 -12.342 -2.811 71 HE3 LYS 8 3HE LYS 8 -6.097 -12.298 -3.717 72 HZ1 LYS 8 1HZ LYS 8 -6.071 -13.774 -1.731 73 HZ2 LYS 8 2HZ LYS 8 -4.895 -12.622 -1.672 74 HZ3 LYS 8 3HZ LYS 8 -6.259 -12.453 -0.763 75 H ASP 9 H ASP 9 -6.006 -7.001 -5.849 76 HA ASP 9 HA ASP 9 -4.450 -8.896 -7.221 77 HB2 ASP 9 2HB ASP 9 -6.092 -7.028 -7.994 78 HB3 ASP 9 3HB ASP 9 -4.666 -6.022 -8.104 79 H ALA 10 H ALA 10 -3.409 -5.844 -5.791 80 HA ALA 10 HA ALA 10 -0.586 -6.171 -6.513 81 HB1 ALA 10 1HB ALA 10 -1.976 -4.269 -4.596 82 HB2 ALA 10 2HB ALA 10 -0.321 -4.103 -5.197 83 HB3 ALA 10 3HB ALA 10 -1.692 -3.962 -6.325 84 H GLY 11 H GLY 11 -2.443 -7.681 -4.105 85 HA2 GLY 11 2HA GLY 11 -1.753 -9.160 -2.467 86 HA3 GLY 11 3HA GLY 11 -0.081 -8.640 -2.659 87 H TYR 12 H TYR 12 -2.449 -6.129 -2.062 88 HA TYR 12 HA TYR 12 -1.213 -5.316 0.395 89 HB2 TYR 12 2HB TYR 12 -2.154 -3.663 -1.096 90 HB3 TYR 12 3HB TYR 12 -3.719 -4.406 -0.989 91 HD1 TYR 12 HD1 TYR 12 -5.164 -4.207 1.028 92 HD2 TYR 12 HD2 TYR 12 -1.415 -2.097 0.645 93 HE1 TYR 12 HE1 TYR 12 -5.825 -2.693 2.877 94 HE2 TYR 12 HE2 TYR 12 -2.116 -0.546 2.443 95 HH TYR 12 HH TYR 12 -3.543 -0.263 4.168 96 H GLN 13 H GLN 13 -2.052 -5.135 2.436 97 HA GLN 13 HA GLN 13 -4.196 -6.995 3.306 98 HB2 GLN 13 2HB GLN 13 -2.600 -7.712 5.166 99 HB3 GLN 13 3HB GLN 13 -2.315 -8.371 3.580 100 HG2 GLN 13 2HG GLN 13 -0.498 -6.687 3.182 101 HG3 GLN 13 3HG GLN 13 -0.782 -6.059 4.812 102 HE21 GLN 13 1HE2 GLN 13 1.352 -6.383 5.143 103 HE22 GLN 13 2HE2 GLN 13 1.825 -7.947 5.772 104 H GLU 14 H GLU 14 -4.895 -6.676 5.465 105 HA GLU 14 HA GLU 14 -5.407 -4.025 6.189 106 HB2 GLU 14 2HB GLU 14 -6.134 -5.024 8.385 107 HB3 GLU 14 3HB GLU 14 -6.789 -5.877 6.990 108 HG2 GLU 14 2HG GLU 14 -5.589 -7.794 7.401 109 HG3 GLU 14 3HG GLU 14 -4.181 -6.954 7.991 110 H SER 15 H SER 15 -2.462 -5.729 6.955 111 HA SER 15 HA SER 15 -1.597 -3.430 8.539 112 HB2 SER 15 2HB SER 15 -0.806 -4.972 10.412 113 HB3 SER 15 3HB SER 15 -2.471 -4.434 10.406 114 HG SER 15 HG SER 15 -3.129 -6.470 10.074 115 HA PRO 16 HA PRO 16 2.297 -3.771 6.810 116 HB2 PRO 16 2HB PRO 16 3.517 -3.619 9.530 117 HB3 PRO 16 3HB PRO 16 3.882 -2.643 8.103 118 HG2 PRO 16 2HG PRO 16 2.345 -1.725 10.160 119 HG3 PRO 16 3HG PRO 16 1.981 -1.279 8.465 120 HD2 PRO 16 2HD PRO 16 0.528 -3.187 10.228 121 HD3 PRO 16 3HD PRO 16 -0.029 -2.203 8.856 122 H ASN 17 H ASN 17 4.159 -4.914 6.363 123 HA ASN 17 HA ASN 17 4.413 -7.674 7.485 124 HB2 ASN 17 2HB ASN 17 3.891 -7.583 5.079 125 HB3 ASN 17 3HB ASN 17 5.226 -6.472 4.803 126 HD21 ASN 17 1HD2 ASN 17 5.658 -8.267 3.171 127 HD22 ASN 17 2HD2 ASN 17 6.602 -9.632 3.723 128 H GLY 18 H GLY 18 5.836 -7.455 9.203 129 HA2 GLY 18 2HA GLY 18 7.816 -7.142 10.315 130 HA3 GLY 18 3HA GLY 18 8.563 -7.444 8.748 131 H ALA 19 H ALA 19 9.584 -5.813 7.714 132 HA ALA 19 HA ALA 19 9.963 -3.268 9.164 133 HB1 ALA 19 1HB ALA 19 11.887 -4.660 8.545 134 HB2 ALA 19 2HB ALA 19 11.461 -4.509 6.825 135 HB3 ALA 19 3HB ALA 19 11.954 -3.076 7.758 136 H LYS 20 H LYS 20 7.904 -4.212 6.585 137 HA LYS 20 HA LYS 20 7.980 -1.463 5.379 138 HB2 LYS 20 2HB LYS 20 6.990 -3.959 3.983 139 HB3 LYS 20 3HB LYS 20 7.326 -2.370 3.310 140 HG2 LYS 20 2HG LYS 20 9.254 -3.284 2.625 141 HG3 LYS 20 3HG LYS 20 9.819 -3.003 4.269 142 HD2 LYS 20 2HD LYS 20 8.933 -5.350 4.811 143 HD3 LYS 20 3HD LYS 20 8.660 -5.567 3.081 144 HE2 LYS 20 2HE LYS 20 11.052 -5.144 2.617 145 HE3 LYS 20 3HE LYS 20 11.362 -4.899 4.346 146 HZ1 LYS 20 1HZ LYS 20 10.357 -7.423 3.144 147 HZ2 LYS 20 2HZ LYS 20 11.904 -7.169 3.595 148 HZ3 LYS 20 3HZ LYS 20 10.717 -7.190 4.738 149 H ARG 21 H ARG 21 6.241 -0.287 5.220 150 HA ARG 21 HA ARG 21 3.564 -1.516 5.042 151 HB2 ARG 21 2HB ARG 21 2.485 -0.137 6.515 152 HB3 ARG 21 3HB ARG 21 3.961 -0.518 7.406 153 HG2 ARG 21 2HG ARG 21 4.915 1.684 6.774 154 HG3 ARG 21 3HG ARG 21 3.428 2.044 5.864 155 HD2 ARG 21 2HD ARG 21 2.109 1.734 7.966 156 HD3 ARG 21 3HD ARG 21 3.605 1.590 8.865 157 HE ARG 21 HE ARG 21 2.480 3.984 7.517 158 HH11 ARG 21 1HH1 ARG 21 5.287 2.682 9.220 159 HH12 ARG 21 2HH1 ARG 21 5.858 4.248 9.714 160 HH21 ARG 21 1HH2 ARG 21 3.122 5.949 8.452 161 HH22 ARG 21 2HH2 ARG 21 4.599 6.026 9.377 162 H CYS 22 H CYS 22 2.021 0.151 3.934 163 HA CYS 22 HA CYS 22 2.853 1.229 1.569 164 HB2 CYS 22 2HB CYS 22 0.723 2.144 3.566 165 HB3 CYS 22 3HB CYS 22 0.802 2.685 1.881 166 H GLY 23 H GLY 23 2.492 3.323 4.489 167 HA2 GLY 23 2HA GLY 23 3.794 5.616 3.557 168 HA3 GLY 23 3HA GLY 23 3.633 5.121 5.240 169 H THR 24 H THR 24 5.470 2.668 3.911 170 HA THR 24 HA THR 24 8.046 4.128 3.831 171 HB THR 24 HB THR 24 9.145 2.327 5.131 172 HG1 THR 24 HG1 THR 24 7.698 1.124 6.508 173 HG21 THR 24 1HG2 THR 24 8.403 4.464 6.214 174 HG22 THR 24 2HG2 THR 24 6.906 3.648 6.718 175 HG23 THR 24 3HG2 THR 24 8.475 3.089 7.320 176 H CYS 25 H CYS 25 6.028 2.497 1.961 177 HA CYS 25 HA CYS 25 7.758 0.400 0.907 178 HB2 CYS 25 2HB CYS 25 5.817 -0.296 -0.207 179 HB3 CYS 25 3HB CYS 25 5.100 0.523 1.174 180 H ARG 26 H ARG 26 7.431 3.722 0.227 181 HA ARG 26 HA ARG 26 8.307 5.129 -1.297 182 HB2 ARG 26 2HB ARG 26 9.772 2.973 -2.779 183 HB3 ARG 26 3HB ARG 26 10.177 4.666 -2.606 184 HG2 ARG 26 2HG ARG 26 10.339 2.544 -0.405 185 HG3 ARG 26 3HG ARG 26 11.652 3.155 -1.366 186 HD2 ARG 26 2HD ARG 26 11.289 5.445 -0.461 187 HD3 ARG 26 3HD ARG 26 9.891 4.826 0.442 188 HE ARG 26 HE ARG 26 12.263 3.310 1.100 189 HH11 ARG 26 1HH1 ARG 26 10.801 6.422 1.833 190 HH12 ARG 26 2HH1 ARG 26 11.270 6.312 3.497 191 HH21 ARG 26 1HH2 ARG 26 13.131 3.418 2.982 192 HH22 ARG 26 2HH2 ARG 26 13.012 4.847 4.007 193 H GLN 27 H GLN 27 5.906 3.281 -1.848 194 HA GLN 27 HA GLN 27 5.380 4.280 -4.610 195 HB2 GLN 27 2HB GLN 27 5.984 1.810 -4.326 196 HB3 GLN 27 3HB GLN 27 4.501 1.638 -3.422 197 HG2 GLN 27 2HG GLN 27 4.070 0.856 -5.585 198 HG3 GLN 27 3HG GLN 27 3.252 2.403 -5.509 199 HE21 GLN 27 1HE2 GLN 27 3.716 1.301 -7.964 200 HE22 GLN 27 2HE2 GLN 27 4.993 2.209 -8.791 201 H PHE 28 H PHE 28 4.182 4.066 -1.322 202 HA PHE 28 HA PHE 28 1.518 4.837 -1.658 203 HB2 PHE 28 2HB PHE 28 2.593 4.357 0.471 204 HB3 PHE 28 3HB PHE 28 3.562 5.818 0.366 205 HD1 PHE 28 HD1 PHE 28 -0.074 4.765 0.249 206 HD2 PHE 28 HD2 PHE 28 2.837 7.584 1.736 207 HE1 PHE 28 HE1 PHE 28 -1.849 5.939 1.516 208 HE2 PHE 28 HE2 PHE 28 1.056 8.730 3.035 209 HZ PHE 28 HZ PHE 28 -1.292 7.922 2.909 210 H ARG 29 H ARG 29 0.417 6.832 -1.654 211 HA ARG 29 HA ARG 29 1.854 9.203 -2.763 212 HB2 ARG 29 2HB ARG 29 0.797 7.714 -4.523 213 HB3 ARG 29 3HB ARG 29 -0.754 8.052 -3.803 214 HG2 ARG 29 2HG ARG 29 -0.617 9.590 -5.578 215 HG3 ARG 29 3HG ARG 29 -0.223 10.507 -4.121 216 HD2 ARG 29 2HD ARG 29 2.254 9.888 -4.714 217 HD3 ARG 29 3HD ARG 29 1.632 9.476 -6.304 218 HE ARG 29 HE ARG 29 0.715 11.922 -6.254 219 HH11 ARG 29 1HH1 ARG 29 3.829 11.056 -4.691 220 HH12 ARG 29 2HH1 ARG 29 4.393 12.702 -4.933 221 HH21 ARG 29 1HH2 ARG 29 1.740 13.917 -6.573 222 HH22 ARG 29 2HH2 ARG 29 3.314 14.166 -5.824 223 HA PRO 30 HA PRO 30 -0.430 10.271 1.007 224 HB2 PRO 30 2HB PRO 30 1.261 12.762 0.815 225 HB3 PRO 30 3HB PRO 30 0.921 11.737 2.242 226 HG2 PRO 30 2HG PRO 30 3.291 11.568 0.920 227 HG3 PRO 30 3HG PRO 30 2.480 10.090 1.525 228 HD2 PRO 30 2HD PRO 30 2.523 11.217 -1.279 229 HD3 PRO 30 3HD PRO 30 2.690 9.523 -0.727 230 HA PRO 31 HA PRO 31 -1.533 11.495 2.522 231 HB2 PRO 31 2HB PRO 31 -3.868 12.411 3.457 232 HB3 PRO 31 3HB PRO 31 -2.552 13.538 3.014 233 HG2 PRO 31 2HG PRO 31 -4.932 12.731 1.308 234 HG3 PRO 31 3HG PRO 31 -4.378 14.388 1.715 235 HD2 PRO 31 2HD PRO 31 -3.638 13.091 -0.602 236 HD3 PRO 31 3HD PRO 31 -2.572 14.246 0.240 237 H SER 32 H SER 32 -3.677 10.499 -0.039 238 HA SER 32 HA SER 32 -4.649 8.176 1.554 239 HB2 SER 32 2HB SER 32 -6.994 8.694 0.910 240 HB3 SER 32 3HB SER 32 -6.280 9.921 1.954 241 HG SER 32 HG SER 32 -7.435 10.296 -0.361 242 H SER 33 H SER 33 -2.922 8.553 -1.023 243 HA SER 33 HA SER 33 -4.462 6.588 -2.676 244 HB2 SER 33 2HB SER 33 -2.754 8.873 -3.689 245 HB3 SER 33 3HB SER 33 -3.553 7.648 -4.681 246 HG SER 33 HG SER 33 -4.941 9.275 -4.718 247 H CYS 34 H CYS 34 -2.984 5.541 -4.315 248 HA CYS 34 HA CYS 34 -0.190 5.091 -3.368 249 HB2 CYS 34 2HB CYS 34 -1.475 3.316 -2.383 250 HB3 CYS 34 3HB CYS 34 -2.323 2.992 -3.900 251 H ILE 35 H ILE 35 1.232 4.272 -5.047 252 HA ILE 35 HA ILE 35 0.420 5.124 -7.790 253 HB ILE 35 HB ILE 35 3.168 4.485 -6.690 254 HG12 ILE 35 2HG1 ILE 35 1.952 7.154 -7.544 255 HG13 ILE 35 3HG1 ILE 35 2.046 6.608 -5.874 256 HG21 ILE 35 1HG2 ILE 35 4.011 5.434 -8.844 257 HG22 ILE 35 2HG2 ILE 35 3.096 3.973 -9.107 258 HG23 ILE 35 3HG2 ILE 35 2.341 5.543 -9.436 259 HD11 ILE 35 1HD1 ILE 35 4.475 6.561 -5.947 260 HD12 ILE 35 2HD1 ILE 35 4.453 7.188 -7.618 261 HD13 ILE 35 3HD1 ILE 35 3.815 8.167 -6.298 262 H THR 36 H THR 36 0.604 2.230 -5.930 263 HA THR 36 HA THR 36 0.325 0.625 -8.457 264 HB THR 36 HB THR 36 1.210 -0.172 -5.685 265 HG1 THR 36 HG1 THR 36 2.918 -1.006 -6.960 266 HG21 THR 36 1HG2 THR 36 0.599 -2.023 -8.027 267 HG22 THR 36 2HG2 THR 36 1.335 -2.468 -6.460 268 HG23 THR 36 3HG2 THR 36 -0.335 -1.938 -6.517 269 H VAL 37 H VAL 37 -1.266 1.278 -5.315 270 HA VAL 37 HA VAL 37 -3.508 -0.468 -6.145 271 HB VAL 37 HB VAL 37 -2.534 0.625 -3.488 272 HG11 VAL 37 1HG1 VAL 37 -5.050 -1.007 -3.956 273 HG12 VAL 37 2HG1 VAL 37 -4.227 -0.810 -2.383 274 HG13 VAL 37 3HG1 VAL 37 -4.920 0.588 -3.181 275 HG21 VAL 37 1HG2 VAL 37 -1.288 -1.274 -4.383 276 HG22 VAL 37 2HG2 VAL 37 -2.273 -1.832 -3.041 277 HG23 VAL 37 3HG2 VAL 37 -2.805 -2.151 -4.710 278 H GLU 38 H GLU 38 -5.672 0.039 -5.970 279 HA GLU 38 HA GLU 38 -6.938 2.365 -6.714 280 HB2 GLU 38 2HB GLU 38 -7.675 0.340 -4.570 281 HB3 GLU 38 3HB GLU 38 -8.780 1.619 -5.055 282 HG2 GLU 38 2HG GLU 38 -8.941 0.770 -7.284 283 HG3 GLU 38 3HG GLU 38 -7.705 -0.436 -6.972 284 H SER 39 H SER 39 -7.954 4.081 -5.725 285 HA SER 39 HA SER 39 -7.135 4.801 -2.943 286 HB2 SER 39 2HB SER 39 -7.368 7.162 -3.487 287 HB3 SER 39 3HB SER 39 -6.141 6.383 -4.491 288 HG SER 39 HG SER 39 -8.302 7.736 -5.237 289 HA PRO 40 HA PRO 40 -7.944 6.537 -1.455 290 HB2 PRO 40 2HB PRO 40 -9.238 6.461 0.924 291 HB3 PRO 40 3HB PRO 40 -9.647 7.632 -0.364 292 HG2 PRO 40 2HG PRO 40 -11.014 4.993 0.242 293 HG3 PRO 40 3HG PRO 40 -11.769 6.595 -0.015 294 HD2 PRO 40 2HD PRO 40 -11.556 4.749 -2.026 295 HD3 PRO 40 3HD PRO 40 -11.411 6.505 -2.337 296 H ILE 41 H ILE 41 -6.452 5.759 0.052 297 HA ILE 41 HA ILE 41 -6.699 3.001 1.091 298 HB ILE 41 HB ILE 41 -5.461 3.093 -1.147 299 HG12 ILE 41 2HG1 ILE 41 -3.624 1.585 -0.545 300 HG13 ILE 41 3HG1 ILE 41 -3.878 1.904 1.164 301 HG21 ILE 41 1HG2 ILE 41 -4.195 5.201 -0.605 302 HG22 ILE 41 2HG2 ILE 41 -3.171 4.242 0.484 303 HG23 ILE 41 3HG2 ILE 41 -3.219 3.876 -1.245 304 HD11 ILE 41 1HD1 ILE 41 -6.109 0.855 1.044 305 HD12 ILE 41 2HD1 ILE 41 -5.949 0.682 -0.720 306 HD13 ILE 41 3HD1 ILE 41 -4.892 -0.234 0.362 307 H SER 42 H SER 42 -5.059 2.541 2.748 308 HA SER 42 HA SER 42 -4.740 4.800 4.612 309 HB2 SER 42 2HB SER 42 -5.559 2.415 5.164 310 HB3 SER 42 3HB SER 42 -3.874 1.928 5.005 311 HG SER 42 HG SER 42 -4.013 2.462 7.084 312 H GLU 43 H GLU 43 -2.646 5.224 5.720 313 HA GLU 43 HA GLU 43 -0.283 4.885 4.016 314 HB2 GLU 43 2HB GLU 43 0.897 6.129 5.596 315 HB3 GLU 43 3HB GLU 43 -0.619 6.958 5.293 316 HG2 GLU 43 2HG GLU 43 -1.490 6.387 7.435 317 HG3 GLU 43 3HG GLU 43 -0.236 5.176 7.701 318 H ASN 44 H ASN 44 -1.857 2.742 5.887 319 HA ASN 44 HA ASN 44 0.600 1.187 6.448 320 HB2 ASN 44 2HB ASN 44 -0.489 0.277 8.493 321 HB3 ASN 44 3HB ASN 44 -0.167 2.010 8.546 322 HD21 ASN 44 1HD2 ASN 44 -1.511 2.570 10.085 323 HD22 ASN 44 2HD2 ASN 44 -3.244 2.628 9.812 324 H GLY 45 H GLY 45 0.450 -1.083 6.327 325 HA2 GLY 45 2HA GLY 45 -1.326 -2.885 5.572 326 HA3 GLY 45 3HA GLY 45 -1.348 -1.923 4.121 327 H TRP 46 H TRP 46 0.808 -1.510 3.113 328 HA TRP 46 HA TRP 46 2.629 -2.284 2.010 329 HB2 TRP 46 2HB TRP 46 3.687 -3.302 4.026 330 HB3 TRP 46 3HB TRP 46 2.758 -4.747 3.729 331 HD1 TRP 46 HD1 TRP 46 5.342 -2.622 1.772 332 HE1 TRP 46 HE1 TRP 46 6.723 -4.208 0.294 333 HE3 TRP 46 HE3 TRP 46 2.867 -7.000 2.700 334 HZ2 TRP 46 HZ2 TRP 46 6.952 -7.053 -0.143 335 HZ3 TRP 46 HZ3 TRP 46 3.624 -9.114 1.646 336 HH2 TRP 46 HH2 TRP 46 5.674 -9.153 0.236 337 H CYS 47 H CYS 47 2.663 -3.310 0.072 338 HA CYS 47 HA CYS 47 0.908 -5.642 -0.408 339 HB2 CYS 47 2HB CYS 47 0.106 -4.702 -2.467 340 HB3 CYS 47 3HB CYS 47 0.002 -3.361 -1.312 341 H ARG 48 H ARG 48 1.607 -6.770 -2.451 342 HA ARG 48 HA ARG 48 4.511 -7.265 -2.261 343 HB2 ARG 48 2HB ARG 48 2.291 -8.636 -3.845 344 HB3 ARG 48 3HB ARG 48 3.988 -9.129 -3.830 345 HG2 ARG 48 2HG ARG 48 3.890 -9.534 -1.397 346 HG3 ARG 48 3HG ARG 48 2.200 -9.024 -1.357 347 HD2 ARG 48 2HD ARG 48 2.324 -11.467 -1.376 348 HD3 ARG 48 3HD ARG 48 1.556 -10.849 -2.838 349 HE ARG 48 HE ARG 48 3.276 -11.692 -4.133 350 HH11 ARG 48 1HH1 ARG 48 4.430 -11.933 -0.770 351 HH12 ARG 48 2HH1 ARG 48 5.941 -12.645 -1.342 352 HH21 ARG 48 1HH2 ARG 48 5.250 -12.708 -4.607 353 HH22 ARG 48 2HH2 ARG 48 6.322 -13.069 -3.260 354 H LEU 49 H LEU 49 2.419 -5.433 -4.328 355 HA LEU 49 HA LEU 49 4.521 -5.280 -6.443 356 HB2 LEU 49 2HB LEU 49 1.538 -4.886 -6.499 357 HB3 LEU 49 3HB LEU 49 2.545 -4.148 -7.726 358 HG LEU 49 HG LEU 49 1.574 -6.200 -8.512 359 HD11 LEU 49 1HD1 LEU 49 4.585 -6.555 -8.225 360 HD12 LEU 49 2HD1 LEU 49 3.534 -7.205 -9.491 361 HD13 LEU 49 3HD1 LEU 49 3.789 -5.460 -9.378 362 HD21 LEU 49 1HD2 LEU 49 1.526 -7.498 -6.372 363 HD22 LEU 49 2HD2 LEU 49 2.163 -8.394 -7.758 364 HD23 LEU 49 3HD2 LEU 49 3.279 -7.760 -6.542 365 H TYR 50 H TYR 50 4.415 -3.855 -3.774 366 HA TYR 50 HA TYR 50 4.627 -1.093 -4.215 367 HB2 TYR 50 2HB TYR 50 5.644 -1.016 -2.174 368 HB3 TYR 50 3HB TYR 50 4.630 -2.431 -2.040 369 HD1 TYR 50 HD1 TYR 50 5.999 -4.744 -2.828 370 HD2 TYR 50 HD2 TYR 50 7.758 -1.159 -1.217 371 HE1 TYR 50 HE1 TYR 50 8.005 -6.029 -2.152 372 HE2 TYR 50 HE2 TYR 50 9.730 -2.451 -0.475 373 HH TYR 50 HH TYR 50 10.684 -4.469 -0.326 374 H ALA 51 H ALA 51 7.026 -0.092 -3.631 375 HA ALA 51 HA ALA 51 8.189 0.169 -6.148 376 HB1 ALA 51 1HB ALA 51 9.519 0.795 -3.493 377 HB2 ALA 51 2HB ALA 51 9.858 1.545 -5.055 378 HB3 ALA 51 3HB ALA 51 8.296 1.828 -4.271 379 H GLY 52 H GLY 52 10.305 -0.226 -6.941 380 HA2 GLY 52 2HA GLY 52 11.033 -2.909 -6.903 381 HA3 GLY 52 3HA GLY 52 11.974 -1.582 -7.617 382 H LYS 53 H LYS 53 11.899 -0.916 -4.433 383 HA LYS 53 HA LYS 53 14.467 -1.226 -3.632 384 HB2 LYS 53 2HB LYS 53 11.914 -1.498 -2.011 385 HB3 LYS 53 3HB LYS 53 13.508 -1.450 -1.267 386 HG2 LYS 53 2HG LYS 53 12.376 0.747 -3.036 387 HG3 LYS 53 3HG LYS 53 12.355 0.754 -1.265 388 HD2 LYS 53 2HD LYS 53 14.914 0.581 -1.356 389 HD3 LYS 53 3HD LYS 53 14.753 0.829 -3.113 390 HE2 LYS 53 2HE LYS 53 13.531 2.960 -2.647 391 HE3 LYS 53 3HE LYS 53 13.893 2.781 -0.925 392 HZ1 LYS 53 1HZ LYS 53 16.142 3.242 -1.323 393 HZ2 LYS 53 2HZ LYS 53 16.106 2.686 -2.850 394 HZ3 LYS 53 3HZ LYS 53 15.458 4.149 -2.504 395 H ALA 54 H ALA 54 15.725 -2.666 -3.419 396 HA ALA 54 HA ALA 54 16.968 -4.504 -3.137 397 HB1 ALA 54 1HB ALA 54 16.322 -4.112 -0.857 398 HB2 ALA 54 2HB ALA 54 14.890 -5.122 -1.047 399 HB3 ALA 54 3HB ALA 54 16.501 -5.854 -1.137 Start of MODEL 6 1 H1 VAL 1 1H VAL 1 -4.772 11.725 -16.024 2 H2 VAL 1 2H VAL 1 -5.681 11.409 -14.691 3 H3 VAL 1 3H VAL 1 -6.313 11.151 -16.181 4 HA VAL 1 HA VAL 1 -4.809 9.408 -16.655 5 HB VAL 1 HB VAL 1 -3.548 8.418 -14.658 6 HG11 VAL 1 1HG1 VAL 1 -2.423 10.946 -15.896 7 HG12 VAL 1 2HG1 VAL 1 -1.538 9.559 -15.243 8 HG13 VAL 1 3HG1 VAL 1 -2.514 9.366 -16.698 9 HG21 VAL 1 1HG2 VAL 1 -3.576 11.300 -13.666 10 HG22 VAL 1 2HG2 VAL 1 -4.464 9.955 -12.910 11 HG23 VAL 1 3HG2 VAL 1 -2.699 9.927 -12.982 12 H THR 2 H THR 2 -5.253 7.300 -16.253 13 HA THR 2 HA THR 2 -7.885 6.761 -15.297 14 HB THR 2 HB THR 2 -6.714 5.735 -17.253 15 HG1 THR 2 HG1 THR 2 -7.652 3.739 -16.937 16 HG21 THR 2 1HG2 THR 2 -5.313 3.777 -16.962 17 HG22 THR 2 2HG2 THR 2 -4.540 5.150 -16.161 18 HG23 THR 2 3HG2 THR 2 -5.382 3.917 -15.197 19 H LYS 3 H LYS 3 -8.412 4.794 -13.968 20 HA LYS 3 HA LYS 3 -7.557 5.037 -11.217 21 HB2 LYS 3 2HB LYS 3 -9.813 4.398 -12.076 22 HB3 LYS 3 3HB LYS 3 -9.108 2.877 -12.650 23 HG2 LYS 3 2HG LYS 3 -8.368 2.465 -10.221 24 HG3 LYS 3 3HG LYS 3 -9.354 3.866 -9.761 25 HD2 LYS 3 2HD LYS 3 -10.347 1.484 -11.348 26 HD3 LYS 3 3HD LYS 3 -10.432 1.581 -9.574 27 HE2 LYS 3 2HE LYS 3 -11.815 3.662 -9.792 28 HE3 LYS 3 3HE LYS 3 -11.800 3.456 -11.550 29 HZ1 LYS 3 1HZ LYS 3 -12.845 1.257 -11.196 30 HZ2 LYS 3 2HZ LYS 3 -12.928 1.530 -9.601 31 HZ3 LYS 3 3HZ LYS 3 -13.801 2.477 -10.618 32 H LYS 4 H LYS 4 -6.154 3.785 -10.054 33 HA LYS 4 HA LYS 4 -4.087 2.253 -11.428 34 HB2 LYS 4 2HB LYS 4 -4.750 2.818 -8.522 35 HB3 LYS 4 3HB LYS 4 -3.425 1.740 -8.937 36 HG2 LYS 4 2HG LYS 4 -3.367 4.253 -10.447 37 HG3 LYS 4 3HG LYS 4 -3.297 4.502 -8.699 38 HD2 LYS 4 2HD LYS 4 -1.074 4.458 -9.721 39 HD3 LYS 4 3HD LYS 4 -1.273 3.131 -8.559 40 HE2 LYS 4 2HE LYS 4 -1.495 1.511 -10.250 41 HE3 LYS 4 3HE LYS 4 -1.940 2.705 -11.457 42 HZ1 LYS 4 1HZ LYS 4 0.307 1.892 -11.841 43 HZ2 LYS 4 2HZ LYS 4 0.332 3.503 -11.497 44 HZ3 LYS 4 3HZ LYS 4 0.783 2.437 -10.352 45 H ALA 5 H ALA 5 -3.382 0.185 -10.670 46 HA ALA 5 HA ALA 5 -5.231 -1.969 -11.030 47 HB1 ALA 5 1HB ALA 5 -3.378 -3.390 -10.219 48 HB2 ALA 5 2HB ALA 5 -2.783 -2.182 -11.371 49 HB3 ALA 5 3HB ALA 5 -2.523 -1.954 -9.621 50 H SER 6 H SER 6 -5.994 -3.588 -9.412 51 HA SER 6 HA SER 6 -7.040 -2.118 -7.145 52 HB2 SER 6 2HB SER 6 -8.426 -3.938 -6.639 53 HB3 SER 6 3HB SER 6 -8.431 -3.669 -8.383 54 HG SER 6 HG SER 6 -8.316 -5.823 -7.983 55 H HIS 7 H HIS 7 -6.827 -2.386 -5.033 56 HA HIS 7 HA HIS 7 -4.431 -3.050 -3.668 57 HB2 HIS 7 2HB HIS 7 -6.157 -3.216 -1.740 58 HB3 HIS 7 3HB HIS 7 -6.009 -1.688 -2.588 59 HD2 HIS 7 HD2 HIS 7 -8.156 -0.686 -3.630 60 HE1 HIS 7 HE1 HIS 7 -10.664 -4.114 -3.698 61 HE2 HIS 7 HE2 HIS 7 -10.548 -1.631 -4.200 62 H LYS 8 H LYS 8 -7.225 -4.974 -4.389 63 HA LYS 8 HA LYS 8 -6.560 -7.521 -3.325 64 HB2 LYS 8 2HB LYS 8 -8.765 -6.972 -4.004 65 HB3 LYS 8 3HB LYS 8 -8.285 -6.571 -5.633 66 HG2 LYS 8 2HG LYS 8 -8.095 -9.372 -4.494 67 HG3 LYS 8 3HG LYS 8 -9.525 -8.728 -5.321 68 HD2 LYS 8 2HD LYS 8 -7.499 -8.182 -7.124 69 HD3 LYS 8 3HD LYS 8 -6.981 -9.733 -6.436 70 HE2 LYS 8 2HE LYS 8 -9.262 -10.662 -6.984 71 HE3 LYS 8 3HE LYS 8 -9.659 -9.102 -7.738 72 HZ1 LYS 8 1HZ LYS 8 -7.756 -11.141 -8.666 73 HZ2 LYS 8 2HZ LYS 8 -8.873 -10.286 -9.530 74 HZ3 LYS 8 3HZ LYS 8 -7.490 -9.565 -9.067 75 H ASP 9 H ASP 9 -6.025 -6.391 -6.682 76 HA ASP 9 HA ASP 9 -4.611 -8.667 -7.568 77 HB2 ASP 9 2HB ASP 9 -4.948 -5.790 -8.460 78 HB3 ASP 9 3HB ASP 9 -3.716 -6.734 -9.208 79 H ALA 10 H ALA 10 -3.408 -5.801 -5.875 80 HA ALA 10 HA ALA 10 -0.622 -6.697 -6.026 81 HB1 ALA 10 1HB ALA 10 -1.934 -4.502 -4.404 82 HB2 ALA 10 2HB ALA 10 -0.194 -4.704 -4.688 83 HB3 ALA 10 3HB ALA 10 -1.262 -4.313 -6.046 84 H GLY 11 H GLY 11 -3.171 -7.885 -4.190 85 HA2 GLY 11 2HA GLY 11 -3.212 -9.341 -2.426 86 HA3 GLY 11 3HA GLY 11 -1.454 -9.445 -2.521 87 H TYR 12 H TYR 12 -3.421 -6.512 -1.763 88 HA TYR 12 HA TYR 12 -1.689 -5.943 0.413 89 HB2 TYR 12 2HB TYR 12 -2.485 -3.917 0.452 90 HB3 TYR 12 3HB TYR 12 -3.039 -4.341 -1.141 91 HD1 TYR 12 HD1 TYR 12 -5.608 -5.973 -0.052 92 HD2 TYR 12 HD2 TYR 12 -3.897 -2.091 0.694 93 HE1 TYR 12 HE1 TYR 12 -7.846 -5.106 0.597 94 HE2 TYR 12 HE2 TYR 12 -6.167 -1.188 1.211 95 HH TYR 12 HH TYR 12 -8.412 -1.643 1.277 96 H GLN 13 H GLN 13 -2.163 -5.373 2.573 97 HA GLN 13 HA GLN 13 -4.295 -6.927 3.949 98 HB2 GLN 13 2HB GLN 13 -2.566 -7.420 5.764 99 HB3 GLN 13 3HB GLN 13 -2.467 -8.369 4.292 100 HG2 GLN 13 2HG GLN 13 -0.581 -7.120 3.476 101 HG3 GLN 13 3HG GLN 13 -0.719 -5.953 4.800 102 HE21 GLN 13 1HE2 GLN 13 1.133 -6.161 5.812 103 HE22 GLN 13 2HE2 GLN 13 1.530 -7.603 6.678 104 H GLU 14 H GLU 14 -4.553 -6.196 6.269 105 HA GLU 14 HA GLU 14 -4.856 -3.300 6.289 106 HB2 GLU 14 2HB GLU 14 -6.070 -3.617 8.316 107 HB3 GLU 14 3HB GLU 14 -6.542 -4.851 7.146 108 HG2 GLU 14 2HG GLU 14 -5.070 -6.498 8.316 109 HG3 GLU 14 3HG GLU 14 -4.676 -5.262 9.512 110 H SER 15 H SER 15 -2.189 -5.096 6.958 111 HA SER 15 HA SER 15 -1.088 -3.180 8.941 112 HB2 SER 15 2HB SER 15 0.153 -5.318 9.791 113 HB3 SER 15 3HB SER 15 -1.516 -5.032 10.233 114 HG SER 15 HG SER 15 -1.555 -7.087 9.504 115 HA PRO 16 HA PRO 16 2.843 -3.322 6.688 116 HB2 PRO 16 2HB PRO 16 4.185 -3.632 9.302 117 HB3 PRO 16 3HB PRO 16 4.417 -2.364 8.103 118 HG2 PRO 16 2HG PRO 16 3.115 -1.872 10.462 119 HG3 PRO 16 3HG PRO 16 2.609 -1.094 8.926 120 HD2 PRO 16 2HD PRO 16 1.379 -3.523 10.279 121 HD3 PRO 16 3HD PRO 16 0.593 -2.111 9.528 122 H ASN 17 H ASN 17 4.666 -4.825 6.394 123 HA ASN 17 HA ASN 17 4.295 -7.585 7.542 124 HB2 ASN 17 2HB ASN 17 3.669 -7.771 5.266 125 HB3 ASN 17 3HB ASN 17 4.885 -6.648 4.738 126 HD21 ASN 17 1HD2 ASN 17 5.649 -8.187 3.185 127 HD22 ASN 17 2HD2 ASN 17 6.763 -9.450 3.716 128 H GLY 18 H GLY 18 5.844 -7.775 9.071 129 HA2 GLY 18 2HA GLY 18 7.965 -7.869 10.026 130 HA3 GLY 18 3HA GLY 18 8.637 -7.813 8.394 131 H ALA 19 H ALA 19 9.753 -6.024 7.855 132 HA ALA 19 HA ALA 19 9.558 -3.560 9.495 133 HB1 ALA 19 1HB ALA 19 11.485 -2.845 8.192 134 HB2 ALA 19 2HB ALA 19 11.759 -4.430 8.920 135 HB3 ALA 19 3HB ALA 19 11.383 -4.305 7.181 136 H LYS 20 H LYS 20 8.082 -4.742 6.510 137 HA LYS 20 HA LYS 20 8.410 -2.190 5.113 138 HB2 LYS 20 2HB LYS 20 7.105 -4.804 4.306 139 HB3 LYS 20 3HB LYS 20 7.523 -3.492 3.210 140 HG2 LYS 20 2HG LYS 20 9.739 -4.050 3.124 141 HG3 LYS 20 3HG LYS 20 9.841 -4.518 4.812 142 HD2 LYS 20 2HD LYS 20 8.696 -6.615 4.403 143 HD3 LYS 20 3HD LYS 20 8.362 -6.175 2.750 144 HE2 LYS 20 2HE LYS 20 10.224 -7.795 2.948 145 HE3 LYS 20 3HE LYS 20 10.703 -6.310 2.129 146 HZ1 LYS 20 1HZ LYS 20 12.267 -7.185 3.881 147 HZ2 LYS 20 2HZ LYS 20 11.878 -5.596 4.054 148 HZ3 LYS 20 3HZ LYS 20 11.179 -6.757 5.017 149 H ARG 21 H ARG 21 6.872 -0.773 4.476 150 HA ARG 21 HA ARG 21 4.051 -1.423 4.582 151 HB2 ARG 21 2HB ARG 21 3.283 -0.255 6.342 152 HB3 ARG 21 3HB ARG 21 4.888 -0.554 6.993 153 HG2 ARG 21 2HG ARG 21 5.622 1.701 6.211 154 HG3 ARG 21 3HG ARG 21 3.970 1.985 5.614 155 HD2 ARG 21 2HD ARG 21 3.165 1.493 7.996 156 HD3 ARG 21 3HD ARG 21 4.848 1.628 8.500 157 HE ARG 21 HE ARG 21 3.045 3.763 7.492 158 HH11 ARG 21 1HH1 ARG 21 6.365 3.075 8.616 159 HH12 ARG 21 2HH1 ARG 21 6.813 4.745 8.346 160 HH21 ARG 21 1HH2 ARG 21 3.737 5.877 7.636 161 HH22 ARG 21 2HH2 ARG 21 5.446 6.218 7.871 162 H CYS 22 H CYS 22 2.669 0.202 3.573 163 HA CYS 22 HA CYS 22 3.389 1.290 1.271 164 HB2 CYS 22 2HB CYS 22 1.410 2.312 3.356 165 HB3 CYS 22 3HB CYS 22 1.354 2.740 1.645 166 H GLY 23 H GLY 23 3.410 3.367 4.242 167 HA2 GLY 23 2HA GLY 23 4.395 5.717 3.157 168 HA3 GLY 23 3HA GLY 23 4.709 5.151 4.796 169 H THR 24 H THR 24 6.424 2.859 4.051 170 HA THR 24 HA THR 24 8.876 4.385 3.318 171 HB THR 24 HB THR 24 10.157 2.613 4.335 172 HG1 THR 24 HG1 THR 24 8.975 1.081 5.590 173 HG21 THR 24 1HG2 THR 24 7.906 3.424 6.216 174 HG22 THR 24 2HG2 THR 24 9.593 3.060 6.631 175 HG23 THR 24 3HG2 THR 24 9.214 4.519 5.713 176 H CYS 25 H CYS 25 6.826 1.887 2.080 177 HA CYS 25 HA CYS 25 8.340 0.792 -0.054 178 HB2 CYS 25 2HB CYS 25 6.171 -0.060 0.487 179 HB3 CYS 25 3HB CYS 25 5.434 1.517 0.403 180 H ARG 26 H ARG 26 7.568 4.086 0.402 181 HA ARG 26 HA ARG 26 7.905 5.983 -0.826 182 HB2 ARG 26 2HB ARG 26 8.898 4.452 -3.217 183 HB3 ARG 26 3HB ARG 26 9.237 6.106 -2.762 184 HG2 ARG 26 2HG ARG 26 10.251 3.605 -1.321 185 HG3 ARG 26 3HG ARG 26 11.142 4.523 -2.498 186 HD2 ARG 26 2HD ARG 26 10.090 5.800 0.065 187 HD3 ARG 26 3HD ARG 26 11.602 4.904 -0.024 188 HE ARG 26 HE ARG 26 12.540 6.484 -1.523 189 HH11 ARG 26 1HH1 ARG 26 9.490 7.722 -0.196 190 HH12 ARG 26 2HH1 ARG 26 9.754 9.281 -0.936 191 HH21 ARG 26 1HH2 ARG 26 12.885 8.539 -2.149 192 HH22 ARG 26 2HH2 ARG 26 11.660 9.764 -1.951 193 H GLN 27 H GLN 27 6.197 3.333 -2.363 194 HA GLN 27 HA GLN 27 4.911 4.992 -4.326 195 HB2 GLN 27 2HB GLN 27 4.310 2.159 -3.431 196 HB3 GLN 27 3HB GLN 27 3.651 2.928 -4.869 197 HG2 GLN 27 2HG GLN 27 5.929 3.250 -5.798 198 HG3 GLN 27 3HG GLN 27 6.642 2.505 -4.366 199 HE21 GLN 27 1HE2 GLN 27 5.343 0.257 -3.873 200 HE22 GLN 27 2HE2 GLN 27 5.347 -0.815 -5.286 201 H PHE 28 H PHE 28 4.075 4.547 -0.959 202 HA PHE 28 HA PHE 28 1.301 5.136 -1.214 203 HB2 PHE 28 2HB PHE 28 2.252 4.439 0.891 204 HB3 PHE 28 3HB PHE 28 3.222 5.906 1.005 205 HD1 PHE 28 HD1 PHE 28 -0.361 4.764 0.625 206 HD2 PHE 28 HD2 PHE 28 2.321 7.770 2.176 207 HE1 PHE 28 HE1 PHE 28 -2.280 5.972 1.628 208 HE2 PHE 28 HE2 PHE 28 0.391 8.958 3.191 209 HZ PHE 28 HZ PHE 28 -1.903 8.073 2.904 210 H ARG 29 H ARG 29 0.141 6.922 -1.393 211 HA ARG 29 HA ARG 29 1.490 9.491 -2.133 212 HB2 ARG 29 2HB ARG 29 0.972 8.017 -4.056 213 HB3 ARG 29 3HB ARG 29 -0.691 7.903 -3.537 214 HG2 ARG 29 2HG ARG 29 -0.657 9.425 -5.326 215 HG3 ARG 29 3HG ARG 29 -0.919 10.381 -3.860 216 HD2 ARG 29 2HD ARG 29 1.468 11.008 -3.833 217 HD3 ARG 29 3HD ARG 29 1.774 9.916 -5.182 218 HE ARG 29 HE ARG 29 -0.152 12.168 -5.574 219 HH11 ARG 29 1HH1 ARG 29 3.088 10.935 -6.369 220 HH12 ARG 29 2HH1 ARG 29 3.027 11.774 -7.926 221 HH21 ARG 29 1HH2 ARG 29 -0.068 13.010 -7.663 222 HH22 ARG 29 2HH2 ARG 29 1.456 12.916 -8.538 223 HA PRO 30 HA PRO 30 -1.467 10.447 1.224 224 HB2 PRO 30 2HB PRO 30 -0.194 13.152 0.752 225 HB3 PRO 30 3HB PRO 30 -0.647 12.383 2.304 226 HG2 PRO 30 2HG PRO 30 1.927 12.346 1.458 227 HG3 PRO 30 3HG PRO 30 1.203 10.877 2.181 228 HD2 PRO 30 2HD PRO 30 1.665 11.514 -0.733 229 HD3 PRO 30 3HD PRO 30 1.885 9.967 0.138 230 HA PRO 31 HA PRO 31 -3.061 11.716 2.369 231 HB2 PRO 31 2HB PRO 31 -5.766 11.785 2.651 232 HB3 PRO 31 3HB PRO 31 -4.778 13.252 2.414 233 HG2 PRO 31 2HG PRO 31 -6.337 11.680 0.336 234 HG3 PRO 31 3HG PRO 31 -6.341 13.450 0.613 235 HD2 PRO 31 2HD PRO 31 -4.780 12.258 -1.306 236 HD3 PRO 31 3HD PRO 31 -4.254 13.718 -0.422 237 H SER 32 H SER 32 -4.680 9.830 -0.193 238 HA SER 32 HA SER 32 -4.475 7.362 1.399 239 HB2 SER 32 2HB SER 32 -6.909 6.914 1.252 240 HB3 SER 32 3HB SER 32 -6.523 8.315 2.247 241 HG SER 32 HG SER 32 -8.221 8.804 0.958 242 H SER 33 H SER 33 -3.289 8.216 -1.132 243 HA SER 33 HA SER 33 -4.489 6.228 -3.031 244 HB2 SER 33 2HB SER 33 -2.823 8.707 -3.524 245 HB3 SER 33 3HB SER 33 -3.245 7.537 -4.764 246 HG SER 33 HG SER 33 -5.114 9.043 -3.226 247 H CYS 34 H CYS 34 -2.843 5.334 -4.536 248 HA CYS 34 HA CYS 34 -0.078 5.119 -3.479 249 HB2 CYS 34 2HB CYS 34 -1.203 3.237 -2.494 250 HB3 CYS 34 3HB CYS 34 -1.952 2.804 -4.030 251 H ILE 35 H ILE 35 1.439 4.457 -4.982 252 HA ILE 35 HA ILE 35 0.842 5.054 -7.832 253 HB ILE 35 HB ILE 35 3.476 4.667 -6.381 254 HG12 ILE 35 2HG1 ILE 35 2.409 6.730 -5.644 255 HG13 ILE 35 3HG1 ILE 35 3.801 7.072 -6.635 256 HG21 ILE 35 1HG2 ILE 35 2.943 5.466 -9.265 257 HG22 ILE 35 2HG2 ILE 35 4.499 5.701 -8.434 258 HG23 ILE 35 3HG2 ILE 35 3.866 4.075 -8.669 259 HD11 ILE 35 1HD1 ILE 35 2.284 7.600 -8.564 260 HD12 ILE 35 2HD1 ILE 35 0.882 7.279 -7.513 261 HD13 ILE 35 3HD1 ILE 35 1.983 8.612 -7.147 262 H THR 36 H THR 36 1.043 2.295 -5.797 263 HA THR 36 HA THR 36 1.183 0.496 -8.186 264 HB THR 36 HB THR 36 0.798 -0.239 -5.276 265 HG1 THR 36 HG1 THR 36 2.799 -0.214 -5.123 266 HG21 THR 36 1HG2 THR 36 1.351 -2.473 -5.950 267 HG22 THR 36 2HG2 THR 36 -0.008 -1.964 -6.946 268 HG23 THR 36 3HG2 THR 36 1.626 -1.982 -7.642 269 H VAL 37 H VAL 37 -1.023 1.340 -5.445 270 HA VAL 37 HA VAL 37 -3.159 -0.084 -6.932 271 HB VAL 37 HB VAL 37 -4.118 -0.785 -4.866 272 HG11 VAL 37 1HG1 VAL 37 -1.143 -1.369 -4.862 273 HG12 VAL 37 2HG1 VAL 37 -2.407 -2.318 -4.106 274 HG13 VAL 37 3HG1 VAL 37 -2.369 -2.178 -5.879 275 HG21 VAL 37 1HG2 VAL 37 -3.497 1.114 -3.393 276 HG22 VAL 37 2HG2 VAL 37 -3.084 -0.461 -2.703 277 HG23 VAL 37 3HG2 VAL 37 -1.810 0.536 -3.407 278 H GLU 38 H GLU 38 -5.336 0.311 -6.526 279 HA GLU 38 HA GLU 38 -6.517 2.805 -6.748 280 HB2 GLU 38 2HB GLU 38 -7.340 0.160 -5.546 281 HB3 GLU 38 3HB GLU 38 -8.394 1.522 -5.352 282 HG2 GLU 38 2HG GLU 38 -8.417 1.822 -7.852 283 HG3 GLU 38 3HG GLU 38 -7.445 0.355 -7.998 284 H SER 39 H SER 39 -7.738 4.088 -5.443 285 HA SER 39 HA SER 39 -6.992 4.405 -2.578 286 HB2 SER 39 2HB SER 39 -7.773 6.695 -2.788 287 HB3 SER 39 3HB SER 39 -6.604 6.357 -4.074 288 HG SER 39 HG SER 39 -8.657 7.467 -4.628 289 HA PRO 40 HA PRO 40 -8.072 5.695 -0.795 290 HB2 PRO 40 2HB PRO 40 -9.275 5.206 1.570 291 HB3 PRO 40 3HB PRO 40 -9.942 6.358 0.372 292 HG2 PRO 40 2HG PRO 40 -10.725 3.446 0.778 293 HG3 PRO 40 3HG PRO 40 -11.805 4.876 0.691 294 HD2 PRO 40 2HD PRO 40 -11.308 3.314 -1.486 295 HD3 PRO 40 3HD PRO 40 -11.499 5.083 -1.632 296 H ILE 41 H ILE 41 -6.341 5.066 0.395 297 HA ILE 41 HA ILE 41 -6.040 2.270 1.342 298 HB ILE 41 HB ILE 41 -5.053 3.032 -1.046 299 HG12 ILE 41 2HG1 ILE 41 -4.992 0.766 -0.319 300 HG13 ILE 41 3HG1 ILE 41 -3.462 1.266 -1.013 301 HG21 ILE 41 1HG2 ILE 41 -2.690 3.645 0.761 302 HG22 ILE 41 2HG2 ILE 41 -2.727 3.590 -1.003 303 HG23 ILE 41 3HG2 ILE 41 -3.641 4.834 -0.152 304 HD11 ILE 41 1HD1 ILE 41 -2.538 1.482 1.349 305 HD12 ILE 41 2HD1 ILE 41 -4.030 0.656 1.893 306 HD13 ILE 41 3HD1 ILE 41 -2.905 -0.133 0.779 307 H SER 42 H SER 42 -4.410 2.004 2.940 308 HA SER 42 HA SER 42 -4.066 4.341 4.729 309 HB2 SER 42 2HB SER 42 -4.921 2.200 5.633 310 HB3 SER 42 3HB SER 42 -3.401 1.414 5.178 311 HG SER 42 HG SER 42 -3.260 2.160 7.328 312 H GLU 43 H GLU 43 -2.086 5.122 5.352 313 HA GLU 43 HA GLU 43 0.279 4.707 3.754 314 HB2 GLU 43 2HB GLU 43 1.331 6.229 5.273 315 HB3 GLU 43 3HB GLU 43 -0.311 6.777 4.963 316 HG2 GLU 43 2HG GLU 43 -0.373 7.048 7.160 317 HG3 GLU 43 3HG GLU 43 -0.868 5.372 7.186 318 H ASN 44 H ASN 44 -1.050 2.710 6.050 319 HA ASN 44 HA ASN 44 1.474 1.145 6.319 320 HB2 ASN 44 2HB ASN 44 0.453 0.363 8.554 321 HB3 ASN 44 3HB ASN 44 0.986 2.035 8.464 322 HD21 ASN 44 1HD2 ASN 44 -0.306 3.595 8.906 323 HD22 ASN 44 2HD2 ASN 44 -2.028 3.371 9.201 324 H GLY 45 H GLY 45 -1.076 1.002 4.391 325 HA2 GLY 45 2HA GLY 45 -2.245 -1.608 5.064 326 HA3 GLY 45 3HA GLY 45 -2.688 -0.542 3.732 327 H TRP 46 H TRP 46 0.322 -2.254 4.644 328 HA TRP 46 HA TRP 46 1.557 -2.195 2.229 329 HB2 TRP 46 2HB TRP 46 2.563 -2.958 4.367 330 HB3 TRP 46 3HB TRP 46 1.661 -4.448 4.248 331 HD1 TRP 46 HD1 TRP 46 4.633 -2.698 2.550 332 HE1 TRP 46 HE1 TRP 46 6.043 -4.451 1.322 333 HE3 TRP 46 HE3 TRP 46 1.598 -6.758 3.117 334 HZ2 TRP 46 HZ2 TRP 46 5.972 -7.288 0.827 335 HZ3 TRP 46 HZ3 TRP 46 2.257 -8.974 2.196 336 HH2 TRP 46 HH2 TRP 46 4.437 -9.242 1.043 337 H CYS 47 H CYS 47 1.801 -3.281 0.356 338 HA CYS 47 HA CYS 47 0.280 -5.796 -0.103 339 HB2 CYS 47 2HB CYS 47 -0.514 -5.004 -2.175 340 HB3 CYS 47 3HB CYS 47 -0.616 -3.545 -1.168 341 H ARG 48 H ARG 48 1.069 -6.989 -2.051 342 HA ARG 48 HA ARG 48 3.848 -7.668 -1.465 343 HB2 ARG 48 2HB ARG 48 1.912 -8.872 -3.488 344 HB3 ARG 48 3HB ARG 48 3.430 -9.594 -2.945 345 HG2 ARG 48 2HG ARG 48 2.548 -9.809 -0.642 346 HG3 ARG 48 3HG ARG 48 1.061 -8.992 -1.117 347 HD2 ARG 48 2HD ARG 48 0.422 -11.194 -1.122 348 HD3 ARG 48 3HD ARG 48 0.705 -10.846 -2.829 349 HE ARG 48 HE ARG 48 3.015 -11.992 -1.409 350 HH11 ARG 48 1HH1 ARG 48 0.131 -12.836 -3.279 351 HH12 ARG 48 2HH1 ARG 48 0.669 -14.495 -3.449 352 HH21 ARG 48 1HH2 ARG 48 3.528 -14.204 -1.663 353 HH22 ARG 48 2HH2 ARG 48 2.597 -15.116 -2.835 354 H LEU 49 H LEU 49 2.494 -5.469 -3.639 355 HA LEU 49 HA LEU 49 4.746 -5.657 -5.593 356 HB2 LEU 49 2HB LEU 49 1.923 -4.647 -5.745 357 HB3 LEU 49 3HB LEU 49 3.144 -3.976 -6.821 358 HG LEU 49 HG LEU 49 3.636 -6.152 -7.773 359 HD11 LEU 49 1HD1 LEU 49 1.556 -7.223 -5.826 360 HD12 LEU 49 2HD1 LEU 49 2.070 -8.088 -7.287 361 HD13 LEU 49 3HD1 LEU 49 3.245 -7.745 -6.029 362 HD21 LEU 49 1HD2 LEU 49 1.842 -4.764 -8.736 363 HD22 LEU 49 2HD2 LEU 49 1.503 -6.487 -8.946 364 HD23 LEU 49 3HD2 LEU 49 0.648 -5.562 -7.691 365 H TYR 50 H TYR 50 4.207 -4.078 -2.777 366 HA TYR 50 HA TYR 50 5.178 -1.542 -2.947 367 HB2 TYR 50 2HB TYR 50 5.829 -1.835 -0.743 368 HB3 TYR 50 3HB TYR 50 4.589 -3.040 -0.947 369 HD1 TYR 50 HD1 TYR 50 5.610 -5.429 -1.848 370 HD2 TYR 50 HD2 TYR 50 7.712 -2.437 0.410 371 HE1 TYR 50 HE1 TYR 50 7.395 -7.080 -1.363 372 HE2 TYR 50 HE2 TYR 50 9.466 -4.106 0.958 373 HH TYR 50 HH TYR 50 9.472 -7.364 -0.508 374 H ALA 51 H ALA 51 7.418 -0.616 -2.583 375 HA ALA 51 HA ALA 51 9.385 -1.777 -4.423 376 HB1 ALA 51 1HB ALA 51 10.607 0.255 -4.134 377 HB2 ALA 51 2HB ALA 51 8.891 0.699 -4.211 378 HB3 ALA 51 3HB ALA 51 9.741 0.654 -2.645 379 H GLY 52 H GLY 52 11.663 -2.112 -3.875 380 HA2 GLY 52 2HA GLY 52 12.055 -4.100 -1.930 381 HA3 GLY 52 3HA GLY 52 13.297 -3.251 -2.860 382 H LYS 53 H LYS 53 11.614 -1.264 -0.866 383 HA LYS 53 HA LYS 53 13.860 -0.567 0.883 384 HB2 LYS 53 2HB LYS 53 11.133 0.644 0.234 385 HB3 LYS 53 3HB LYS 53 12.051 1.166 1.637 386 HG2 LYS 53 2HG LYS 53 12.380 2.692 -0.209 387 HG3 LYS 53 3HG LYS 53 13.890 1.918 0.289 388 HD2 LYS 53 2HD LYS 53 13.779 0.410 -1.680 389 HD3 LYS 53 3HD LYS 53 12.232 1.138 -2.143 390 HE2 LYS 53 2HE LYS 53 13.898 2.104 -3.527 391 HE3 LYS 53 3HE LYS 53 13.448 3.361 -2.366 392 HZ1 LYS 53 1HZ LYS 53 15.466 2.935 -1.156 393 HZ2 LYS 53 2HZ LYS 53 15.798 1.580 -2.013 394 HZ3 LYS 53 3HZ LYS 53 15.875 3.047 -2.756 395 H ALA 54 H ALA 54 13.843 -0.749 2.851 396 HA ALA 54 HA ALA 54 13.575 -1.315 5.045 397 HB1 ALA 54 1HB ALA 54 10.682 -2.024 4.519 398 HB2 ALA 54 2HB ALA 54 11.453 -1.697 6.075 399 HB3 ALA 54 3HB ALA 54 11.275 -0.389 4.889 Start of MODEL 7 1 H1 VAL 1 1H VAL 1 -3.045 8.155 -16.445 2 H2 VAL 1 2H VAL 1 -2.811 9.161 -17.714 3 H3 VAL 1 3H VAL 1 -2.760 7.549 -17.951 4 HA VAL 1 HA VAL 1 -5.109 9.173 -17.226 5 HB VAL 1 HB VAL 1 -4.743 7.418 -19.682 6 HG11 VAL 1 1HG1 VAL 1 -6.881 9.455 -18.913 7 HG12 VAL 1 2HG1 VAL 1 -6.763 8.605 -20.470 8 HG13 VAL 1 3HG1 VAL 1 -7.099 7.692 -19.001 9 HG21 VAL 1 1HG2 VAL 1 -4.659 9.567 -20.939 10 HG22 VAL 1 2HG2 VAL 1 -4.567 10.453 -19.410 11 HG23 VAL 1 3HG2 VAL 1 -3.252 9.351 -19.910 12 H THR 2 H THR 2 -4.215 5.741 -17.987 13 HA THR 2 HA THR 2 -6.719 4.712 -17.186 14 HB THR 2 HB THR 2 -4.057 3.265 -17.405 15 HG1 THR 2 HG1 THR 2 -4.247 3.478 -19.445 16 HG21 THR 2 1HG2 THR 2 -6.929 2.294 -17.764 17 HG22 THR 2 2HG2 THR 2 -5.492 1.400 -18.292 18 HG23 THR 2 3HG2 THR 2 -5.736 1.708 -16.574 19 H LYS 3 H LYS 3 -7.298 3.251 -15.469 20 HA LYS 3 HA LYS 3 -6.508 4.166 -12.835 21 HB2 LYS 3 2HB LYS 3 -8.826 3.491 -13.630 22 HB3 LYS 3 3HB LYS 3 -8.278 1.809 -13.551 23 HG2 LYS 3 2HG LYS 3 -7.817 2.108 -11.107 24 HG3 LYS 3 3HG LYS 3 -8.364 3.796 -11.229 25 HD2 LYS 3 2HD LYS 3 -10.602 2.949 -12.029 26 HD3 LYS 3 3HD LYS 3 -10.008 1.294 -11.789 27 HE2 LYS 3 2HE LYS 3 -9.566 1.884 -9.375 28 HE3 LYS 3 3HE LYS 3 -10.328 3.457 -9.656 29 HZ1 LYS 3 1HZ LYS 3 -11.655 0.841 -10.067 30 HZ2 LYS 3 2HZ LYS 3 -11.877 1.737 -8.732 31 HZ3 LYS 3 3HZ LYS 3 -12.374 2.309 -10.196 32 H LYS 4 H LYS 4 -5.480 3.081 -11.196 33 HA LYS 4 HA LYS 4 -3.292 1.352 -11.884 34 HB2 LYS 4 2HB LYS 4 -4.448 2.257 -9.222 35 HB3 LYS 4 3HB LYS 4 -2.975 1.285 -9.310 36 HG2 LYS 4 2HG LYS 4 -3.235 3.742 -10.921 37 HG3 LYS 4 3HG LYS 4 -2.797 3.880 -9.203 38 HD2 LYS 4 2HD LYS 4 -0.749 2.507 -9.738 39 HD3 LYS 4 3HD LYS 4 -1.259 2.493 -11.451 40 HE2 LYS 4 2HE LYS 4 -1.388 5.017 -11.341 41 HE3 LYS 4 3HE LYS 4 -0.699 4.949 -9.730 42 HZ1 LYS 4 1HZ LYS 4 0.967 5.410 -11.410 43 HZ2 LYS 4 2HZ LYS 4 1.304 4.008 -10.646 44 HZ3 LYS 4 3HZ LYS 4 0.698 4.003 -12.187 45 H ALA 5 H ALA 5 -2.762 -0.381 -10.437 46 HA ALA 5 HA ALA 5 -4.393 -2.787 -10.744 47 HB1 ALA 5 1HB ALA 5 -2.115 -2.205 -8.790 48 HB2 ALA 5 2HB ALA 5 -2.784 -3.805 -9.149 49 HB3 ALA 5 3HB ALA 5 -1.940 -2.904 -10.411 50 H SER 6 H SER 6 -5.974 -3.702 -9.353 51 HA SER 6 HA SER 6 -7.130 -2.089 -7.290 52 HB2 SER 6 2HB SER 6 -8.600 -3.900 -6.882 53 HB3 SER 6 3HB SER 6 -8.320 -3.846 -8.619 54 HG SER 6 HG SER 6 -8.126 -5.964 -7.924 55 H HIS 7 H HIS 7 -7.332 -2.639 -4.999 56 HA HIS 7 HA HIS 7 -4.809 -2.901 -3.663 57 HB2 HIS 7 2HB HIS 7 -7.318 -3.715 -2.257 58 HB3 HIS 7 3HB HIS 7 -5.975 -2.748 -1.681 59 HD2 HIS 7 HD2 HIS 7 -6.389 -0.330 -4.023 60 HE1 HIS 7 HE1 HIS 7 -10.103 0.163 -2.009 61 HE2 HIS 7 HE2 HIS 7 -8.452 1.231 -3.607 62 H LYS 8 H LYS 8 -7.177 -5.171 -4.567 63 HA LYS 8 HA LYS 8 -6.223 -7.627 -3.392 64 HB2 LYS 8 2HB LYS 8 -8.550 -7.183 -4.078 65 HB3 LYS 8 3HB LYS 8 -8.034 -7.122 -5.761 66 HG2 LYS 8 2HG LYS 8 -8.977 -9.214 -5.370 67 HG3 LYS 8 3HG LYS 8 -7.260 -9.509 -5.575 68 HD2 LYS 8 2HD LYS 8 -6.974 -9.754 -3.143 69 HD3 LYS 8 3HD LYS 8 -8.649 -9.262 -2.864 70 HE2 LYS 8 2HE LYS 8 -9.328 -11.299 -4.311 71 HE3 LYS 8 3HE LYS 8 -7.628 -11.779 -4.259 72 HZ1 LYS 8 1HZ LYS 8 -7.944 -11.600 -1.722 73 HZ2 LYS 8 2HZ LYS 8 -9.548 -11.634 -2.034 74 HZ3 LYS 8 3HZ LYS 8 -8.624 -12.906 -2.513 75 H ASP 9 H ASP 9 -6.053 -6.494 -6.780 76 HA ASP 9 HA ASP 9 -4.402 -8.447 -7.938 77 HB2 ASP 9 2HB ASP 9 -5.574 -6.510 -9.024 78 HB3 ASP 9 3HB ASP 9 -4.304 -5.466 -8.433 79 H ALA 10 H ALA 10 -3.441 -5.505 -6.224 80 HA ALA 10 HA ALA 10 -0.613 -5.972 -6.214 81 HB1 ALA 10 1HB ALA 10 -2.340 -4.208 -4.433 82 HB2 ALA 10 2HB ALA 10 -0.592 -4.055 -4.695 83 HB3 ALA 10 3HB ALA 10 -1.710 -3.765 -6.035 84 H GLY 11 H GLY 11 -3.100 -7.149 -4.030 85 HA2 GLY 11 2HA GLY 11 -2.889 -8.892 -2.503 86 HA3 GLY 11 3HA GLY 11 -1.130 -8.805 -2.598 87 H TYR 12 H TYR 12 -3.281 -6.078 -1.828 88 HA TYR 12 HA TYR 12 -1.793 -5.345 0.461 89 HB2 TYR 12 2HB TYR 12 -2.933 -3.458 0.475 90 HB3 TYR 12 3HB TYR 12 -3.417 -3.961 -1.125 91 HD1 TYR 12 HD1 TYR 12 -5.591 -5.826 -0.807 92 HD2 TYR 12 HD2 TYR 12 -4.611 -2.415 1.642 93 HE1 TYR 12 HE1 TYR 12 -7.956 -5.713 -0.025 94 HE2 TYR 12 HE2 TYR 12 -6.979 -2.343 2.467 95 HH TYR 12 HH TYR 12 -9.088 -3.427 2.444 96 H GLN 13 H GLN 13 -2.423 -4.931 2.597 97 HA GLN 13 HA GLN 13 -4.572 -6.559 3.831 98 HB2 GLN 13 2HB GLN 13 -2.883 -7.003 5.754 99 HB3 GLN 13 3HB GLN 13 -2.846 -8.012 4.332 100 HG2 GLN 13 2HG GLN 13 -0.883 -6.862 3.450 101 HG3 GLN 13 3HG GLN 13 -0.947 -5.687 4.777 102 HE21 GLN 13 1HE2 GLN 13 0.897 -5.986 5.788 103 HE22 GLN 13 2HE2 GLN 13 1.281 -7.502 6.556 104 H GLU 14 H GLU 14 -4.892 -5.897 6.162 105 HA GLU 14 HA GLU 14 -5.343 -3.050 6.304 106 HB2 GLU 14 2HB GLU 14 -6.479 -3.504 8.320 107 HB3 GLU 14 3HB GLU 14 -6.827 -4.831 7.209 108 HG2 GLU 14 2HG GLU 14 -5.026 -6.183 8.408 109 HG3 GLU 14 3HG GLU 14 -4.928 -4.881 9.595 110 H SER 15 H SER 15 -2.490 -4.680 6.929 111 HA SER 15 HA SER 15 -1.490 -2.600 8.801 112 HB2 SER 15 2HB SER 15 -0.405 -4.608 10.073 113 HB3 SER 15 3HB SER 15 -2.080 -4.183 10.357 114 HG SER 15 HG SER 15 -2.062 -6.297 10.124 115 HA PRO 16 HA PRO 16 2.515 -2.939 6.859 116 HB2 PRO 16 2HB PRO 16 3.660 -3.385 9.590 117 HB3 PRO 16 3HB PRO 16 4.169 -2.220 8.350 118 HG2 PRO 16 2HG PRO 16 2.740 -1.404 10.517 119 HG3 PRO 16 3HG PRO 16 2.382 -0.747 8.888 120 HD2 PRO 16 2HD PRO 16 0.926 -2.948 10.385 121 HD3 PRO 16 3HD PRO 16 0.260 -1.577 9.462 122 H ASN 17 H ASN 17 4.279 -4.459 6.514 123 HA ASN 17 HA ASN 17 3.832 -7.213 7.609 124 HB2 ASN 17 2HB ASN 17 3.222 -7.159 5.251 125 HB3 ASN 17 3HB ASN 17 4.713 -6.376 4.830 126 HD21 ASN 17 1HD2 ASN 17 4.758 -8.388 3.359 127 HD22 ASN 17 2HD2 ASN 17 5.379 -9.878 4.086 128 H GLY 18 H GLY 18 5.081 -6.220 9.405 129 HA2 GLY 18 2HA GLY 18 7.014 -6.279 10.645 130 HA3 GLY 18 3HA GLY 18 7.747 -7.209 9.345 131 H ALA 19 H ALA 19 9.237 -6.289 8.073 132 HA ALA 19 HA ALA 19 10.250 -3.646 8.706 133 HB1 ALA 19 1HB ALA 19 12.070 -4.373 7.165 134 HB2 ALA 19 2HB ALA 19 11.726 -5.579 8.405 135 HB3 ALA 19 3HB ALA 19 11.126 -5.813 6.749 136 H LYS 20 H LYS 20 7.848 -4.561 6.496 137 HA LYS 20 HA LYS 20 8.403 -2.206 4.733 138 HB2 LYS 20 2HB LYS 20 6.956 -4.764 3.949 139 HB3 LYS 20 3HB LYS 20 7.457 -3.439 2.920 140 HG2 LYS 20 2HG LYS 20 9.199 -4.774 2.415 141 HG3 LYS 20 3HG LYS 20 9.907 -4.192 3.916 142 HD2 LYS 20 2HD LYS 20 8.644 -6.185 4.988 143 HD3 LYS 20 3HD LYS 20 8.367 -6.764 3.349 144 HE2 LYS 20 2HE LYS 20 10.820 -6.767 2.919 145 HE3 LYS 20 3HE LYS 20 11.117 -6.238 4.582 146 HZ1 LYS 20 1HZ LYS 20 11.333 -8.658 4.351 147 HZ2 LYS 20 2HZ LYS 20 10.049 -8.310 5.339 148 HZ3 LYS 20 3HZ LYS 20 9.804 -8.759 3.764 149 H ARG 21 H ARG 21 6.831 -0.737 4.488 150 HA ARG 21 HA ARG 21 4.002 -1.489 4.590 151 HB2 ARG 21 2HB ARG 21 3.335 -0.394 6.429 152 HB3 ARG 21 3HB ARG 21 4.983 -0.651 6.965 153 HG2 ARG 21 2HG ARG 21 5.547 1.672 6.132 154 HG3 ARG 21 3HG ARG 21 3.811 1.885 5.782 155 HD2 ARG 21 2HD ARG 21 3.344 1.322 8.218 156 HD3 ARG 21 3HD ARG 21 5.091 1.330 8.482 157 HE ARG 21 HE ARG 21 3.728 3.743 7.334 158 HH11 ARG 21 1HH1 ARG 21 5.219 2.352 10.261 159 HH12 ARG 21 2HH1 ARG 21 5.406 3.959 10.929 160 HH21 ARG 21 1HH2 ARG 21 4.333 5.710 8.267 161 HH22 ARG 21 2HH2 ARG 21 5.314 5.668 9.732 162 H CYS 22 H CYS 22 2.581 0.356 3.716 163 HA CYS 22 HA CYS 22 3.443 1.448 1.384 164 HB2 CYS 22 2HB CYS 22 1.453 2.534 3.426 165 HB3 CYS 22 3HB CYS 22 1.489 2.969 1.704 166 H GLY 23 H GLY 23 3.435 3.285 4.467 167 HA2 GLY 23 2HA GLY 23 4.735 5.617 3.709 168 HA3 GLY 23 3HA GLY 23 4.766 4.837 5.287 169 H THR 24 H THR 24 6.331 2.475 3.839 170 HA THR 24 HA THR 24 9.006 3.776 3.559 171 HB THR 24 HB THR 24 9.943 1.561 4.267 172 HG1 THR 24 HG1 THR 24 8.310 0.465 5.685 173 HG21 THR 24 1HG2 THR 24 9.752 3.543 5.788 174 HG22 THR 24 2HG2 THR 24 8.181 2.925 6.346 175 HG23 THR 24 3HG2 THR 24 9.666 1.991 6.628 176 H CYS 25 H CYS 25 6.636 2.653 1.705 177 HA CYS 25 HA CYS 25 7.962 0.848 -0.132 178 HB2 CYS 25 2HB CYS 25 5.503 0.964 0.478 179 HB3 CYS 25 3HB CYS 25 5.392 2.477 -0.397 180 H ARG 26 H ARG 26 8.128 1.214 -2.400 181 HA ARG 26 HA ARG 26 9.539 3.482 -3.367 182 HB2 ARG 26 2HB ARG 26 8.388 1.004 -4.434 183 HB3 ARG 26 3HB ARG 26 8.178 2.313 -5.572 184 HG2 ARG 26 2HG ARG 26 10.875 1.655 -4.313 185 HG3 ARG 26 3HG ARG 26 10.276 0.936 -5.806 186 HD2 ARG 26 2HD ARG 26 11.585 2.635 -6.630 187 HD3 ARG 26 3HD ARG 26 9.972 3.311 -6.717 188 HE ARG 26 HE ARG 26 10.584 4.956 -5.188 189 HH11 ARG 26 1HH1 ARG 26 13.154 2.531 -5.128 190 HH12 ARG 26 2HH1 ARG 26 14.263 3.639 -4.366 191 HH21 ARG 26 1HH2 ARG 26 11.979 6.237 -4.279 192 HH22 ARG 26 2HH2 ARG 26 13.623 5.751 -3.883 193 H GLN 27 H GLN 27 6.144 3.055 -2.908 194 HA GLN 27 HA GLN 27 5.605 5.690 -4.199 195 HB2 GLN 27 2HB GLN 27 3.894 3.197 -4.351 196 HB3 GLN 27 3HB GLN 27 3.450 4.770 -4.989 197 HG2 GLN 27 2HG GLN 27 5.806 3.077 -5.977 198 HG3 GLN 27 3HG GLN 27 4.224 3.159 -6.711 199 HE21 GLN 27 1HE2 GLN 27 4.791 4.005 -8.750 200 HE22 GLN 27 2HE2 GLN 27 5.436 5.646 -8.866 201 H PHE 28 H PHE 28 2.882 4.138 -2.800 202 HA PHE 28 HA PHE 28 1.311 5.000 -1.520 203 HB2 PHE 28 2HB PHE 28 2.664 4.439 0.396 204 HB3 PHE 28 3HB PHE 28 3.496 5.989 0.310 205 HD1 PHE 28 HD1 PHE 28 0.033 4.538 0.619 206 HD2 PHE 28 HD2 PHE 28 2.651 7.866 1.466 207 HE1 PHE 28 HE1 PHE 28 -1.825 5.720 1.751 208 HE2 PHE 28 HE2 PHE 28 0.793 9.033 2.616 209 HZ PHE 28 HZ PHE 28 -1.459 7.979 2.719 210 H ARG 29 H ARG 29 -0.039 6.787 -1.203 211 HA ARG 29 HA ARG 29 0.945 9.409 -2.199 212 HB2 ARG 29 2HB ARG 29 0.024 8.077 -4.098 213 HB3 ARG 29 3HB ARG 29 -1.491 7.919 -3.239 214 HG2 ARG 29 2HG ARG 29 -1.790 9.646 -4.834 215 HG3 ARG 29 3HG ARG 29 -1.712 10.389 -3.238 216 HD2 ARG 29 2HD ARG 29 0.865 10.687 -3.832 217 HD3 ARG 29 3HD ARG 29 0.330 10.396 -5.480 218 HE ARG 29 HE ARG 29 -1.213 12.393 -5.168 219 HH11 ARG 29 1HH1 ARG 29 1.954 12.358 -3.557 220 HH12 ARG 29 2HH1 ARG 29 1.708 14.009 -3.003 221 HH21 ARG 29 1HH2 ARG 29 -1.251 14.541 -4.496 222 HH22 ARG 29 2HH2 ARG 29 0.107 15.151 -3.558 223 HA PRO 30 HA PRO 30 -1.547 10.580 1.400 224 HB2 PRO 30 2HB PRO 30 -0.701 13.303 0.398 225 HB3 PRO 30 3HB PRO 30 -0.766 12.693 2.081 226 HG2 PRO 30 2HG PRO 30 1.598 12.819 0.769 227 HG3 PRO 30 3HG PRO 30 1.194 11.374 1.755 228 HD2 PRO 30 2HD PRO 30 0.982 11.731 -1.244 229 HD3 PRO 30 3HD PRO 30 1.653 10.355 -0.312 230 HA PRO 31 HA PRO 31 -3.049 11.846 2.616 231 HB2 PRO 31 2HB PRO 31 -5.645 11.742 3.382 232 HB3 PRO 31 3HB PRO 31 -4.853 13.233 2.792 233 HG2 PRO 31 2HG PRO 31 -6.622 11.347 1.230 234 HG3 PRO 31 3HG PRO 31 -6.699 13.133 1.309 235 HD2 PRO 31 2HD PRO 31 -5.400 11.810 -0.726 236 HD3 PRO 31 3HD PRO 31 -4.856 13.391 -0.106 237 H SER 32 H SER 32 -5.263 9.599 0.821 238 HA SER 32 HA SER 32 -3.918 7.322 2.102 239 HB2 SER 32 2HB SER 32 -5.988 6.263 2.895 240 HB3 SER 32 3HB SER 32 -5.633 7.765 3.753 241 HG SER 32 HG SER 32 -7.326 7.662 1.492 242 H SER 33 H SER 33 -3.277 7.520 -0.208 243 HA SER 33 HA SER 33 -4.862 5.651 -1.888 244 HB2 SER 33 2HB SER 33 -3.712 8.338 -2.763 245 HB3 SER 33 3HB SER 33 -4.318 7.090 -3.866 246 HG SER 33 HG SER 33 -5.942 8.515 -3.543 247 H CYS 34 H CYS 34 -3.293 5.116 -3.918 248 HA CYS 34 HA CYS 34 -0.441 5.204 -3.057 249 HB2 CYS 34 2HB CYS 34 -1.441 2.947 -2.597 250 HB3 CYS 34 3HB CYS 34 -1.732 2.787 -4.328 251 H ILE 35 H ILE 35 0.946 4.510 -4.901 252 HA ILE 35 HA ILE 35 0.063 5.684 -7.496 253 HB ILE 35 HB ILE 35 2.966 5.798 -6.911 254 HG12 ILE 35 2HG1 ILE 35 1.269 8.123 -5.987 255 HG13 ILE 35 3HG1 ILE 35 1.850 6.891 -4.854 256 HG21 ILE 35 1HG2 ILE 35 2.026 6.387 -9.136 257 HG22 ILE 35 2HG2 ILE 35 1.067 7.675 -8.381 258 HG23 ILE 35 3HG2 ILE 35 2.837 7.754 -8.399 259 HD11 ILE 35 1HD1 ILE 35 3.699 8.590 -6.540 260 HD12 ILE 35 2HD1 ILE 35 3.306 8.808 -4.826 261 HD13 ILE 35 3HD1 ILE 35 4.146 7.350 -5.346 262 H THR 36 H THR 36 1.142 2.874 -5.860 263 HA THR 36 HA THR 36 1.521 1.571 -8.529 264 HB THR 36 HB THR 36 1.806 -0.398 -6.519 265 HG1 THR 36 HG1 THR 36 2.514 0.730 -4.911 266 HG21 THR 36 1HG2 THR 36 3.917 1.075 -8.145 267 HG22 THR 36 2HG2 THR 36 4.107 -0.508 -7.360 268 HG23 THR 36 3HG2 THR 36 2.961 -0.321 -8.697 269 H VAL 37 H VAL 37 -0.819 2.165 -6.122 270 HA VAL 37 HA VAL 37 -2.552 -0.079 -7.056 271 HB VAL 37 HB VAL 37 -2.281 0.750 -4.147 272 HG11 VAL 37 1HG1 VAL 37 -3.333 -1.768 -5.478 273 HG12 VAL 37 2HG1 VAL 37 -3.136 -1.514 -3.726 274 HG13 VAL 37 3HG1 VAL 37 -4.286 -0.530 -4.616 275 HG21 VAL 37 1HG2 VAL 37 -0.060 -0.050 -4.720 276 HG22 VAL 37 2HG2 VAL 37 -0.884 -1.288 -3.804 277 HG23 VAL 37 3HG2 VAL 37 -0.746 -1.462 -5.564 278 H GLU 38 H GLU 38 -4.784 0.172 -6.726 279 HA GLU 38 HA GLU 38 -6.163 2.606 -7.084 280 HB2 GLU 38 2HB GLU 38 -6.861 -0.183 -6.157 281 HB3 GLU 38 3HB GLU 38 -8.054 1.091 -5.965 282 HG2 GLU 38 2HG GLU 38 -7.804 1.639 -8.365 283 HG3 GLU 38 3HG GLU 38 -6.769 0.237 -8.581 284 H SER 39 H SER 39 -7.978 3.354 -5.514 285 HA SER 39 HA SER 39 -6.907 3.743 -2.760 286 HB2 SER 39 2HB SER 39 -7.683 6.051 -2.804 287 HB3 SER 39 3HB SER 39 -6.537 5.759 -4.118 288 HG SER 39 HG SER 39 -8.953 6.753 -4.282 289 HA PRO 40 HA PRO 40 -7.889 5.079 -0.933 290 HB2 PRO 40 2HB PRO 40 -8.828 4.417 1.520 291 HB3 PRO 40 3HB PRO 40 -9.665 5.578 0.442 292 HG2 PRO 40 2HG PRO 40 -10.261 2.621 0.818 293 HG3 PRO 40 3HG PRO 40 -11.414 3.995 0.848 294 HD2 PRO 40 2HD PRO 40 -10.998 2.480 -1.396 295 HD3 PRO 40 3HD PRO 40 -11.337 4.233 -1.494 296 H ILE 41 H ILE 41 -6.046 4.585 0.141 297 HA ILE 41 HA ILE 41 -5.427 1.822 1.021 298 HB ILE 41 HB ILE 41 -3.980 3.424 -1.057 299 HG12 ILE 41 2HG1 ILE 41 -5.241 1.420 -1.685 300 HG13 ILE 41 3HG1 ILE 41 -3.541 1.316 -2.091 301 HG21 ILE 41 1HG2 ILE 41 -2.425 1.750 0.940 302 HG22 ILE 41 2HG2 ILE 41 -1.821 2.250 -0.625 303 HG23 ILE 41 3HG2 ILE 41 -2.228 3.475 0.568 304 HD11 ILE 41 1HD1 ILE 41 -3.176 -0.213 -0.152 305 HD12 ILE 41 2HD1 ILE 41 -4.915 -0.126 0.221 306 HD13 ILE 41 3HD1 ILE 41 -4.364 -0.830 -1.305 307 H SER 42 H SER 42 -4.435 1.774 2.958 308 HA SER 42 HA SER 42 -4.163 4.336 4.419 309 HB2 SER 42 2HB SER 42 -5.253 2.225 5.327 310 HB3 SER 42 3HB SER 42 -3.629 1.544 5.480 311 HG SER 42 HG SER 42 -3.551 2.625 7.272 312 H GLU 43 H GLU 43 -2.240 5.029 5.390 313 HA GLU 43 HA GLU 43 0.143 4.562 3.846 314 HB2 GLU 43 2HB GLU 43 1.178 6.226 5.250 315 HB3 GLU 43 3HB GLU 43 -0.419 6.747 4.735 316 HG2 GLU 43 2HG GLU 43 -1.382 6.241 6.907 317 HG3 GLU 43 3HG GLU 43 0.174 5.625 7.465 318 H ASN 44 H ASN 44 -1.065 2.665 6.239 319 HA ASN 44 HA ASN 44 1.591 1.480 6.874 320 HB2 ASN 44 2HB ASN 44 0.520 0.597 8.908 321 HB3 ASN 44 3HB ASN 44 0.459 2.349 8.864 322 HD21 ASN 44 1HD2 ASN 44 -1.008 1.522 10.644 323 HD22 ASN 44 2HD2 ASN 44 -2.663 1.867 10.151 324 H GLY 45 H GLY 45 -1.350 0.859 5.120 325 HA2 GLY 45 2HA GLY 45 -1.390 -2.012 5.710 326 HA3 GLY 45 3HA GLY 45 -2.552 -1.132 4.757 327 H TRP 46 H TRP 46 0.722 -2.350 4.811 328 HA TRP 46 HA TRP 46 1.733 -2.145 2.296 329 HB2 TRP 46 2HB TRP 46 2.750 -3.184 4.368 330 HB3 TRP 46 3HB TRP 46 1.776 -4.596 4.065 331 HD1 TRP 46 HD1 TRP 46 4.706 -2.669 2.525 332 HE1 TRP 46 HE1 TRP 46 6.194 -4.266 1.210 333 HE3 TRP 46 HE3 TRP 46 1.782 -6.883 2.700 334 HZ2 TRP 46 HZ2 TRP 46 6.272 -7.062 0.547 335 HZ3 TRP 46 HZ3 TRP 46 2.583 -8.990 1.619 336 HH2 TRP 46 HH2 TRP 46 4.833 -9.103 0.602 337 H CYS 47 H CYS 47 1.764 -3.209 0.348 338 HA CYS 47 HA CYS 47 0.194 -5.703 0.007 339 HB2 CYS 47 2HB CYS 47 -0.649 -4.959 -2.105 340 HB3 CYS 47 3HB CYS 47 -0.837 -3.531 -1.059 341 H ARG 48 H ARG 48 1.023 -7.081 -1.761 342 HA ARG 48 HA ARG 48 3.904 -7.254 -1.414 343 HB2 ARG 48 2HB ARG 48 2.415 -9.181 -1.274 344 HB3 ARG 48 3HB ARG 48 2.041 -9.080 -2.993 345 HG2 ARG 48 2HG ARG 48 4.881 -9.255 -2.030 346 HG3 ARG 48 3HG ARG 48 3.897 -10.705 -1.966 347 HD2 ARG 48 2HD ARG 48 3.562 -10.829 -4.287 348 HD3 ARG 48 3HD ARG 48 4.105 -9.197 -4.586 349 HE ARG 48 HE ARG 48 5.807 -11.568 -3.952 350 HH11 ARG 48 1HH1 ARG 48 5.772 -8.207 -4.981 351 HH12 ARG 48 2HH1 ARG 48 7.230 -8.424 -5.934 352 HH21 ARG 48 1HH2 ARG 48 7.880 -11.575 -4.717 353 HH22 ARG 48 2HH2 ARG 48 8.577 -10.128 -5.404 354 H LEU 49 H LEU 49 2.065 -5.606 -3.707 355 HA LEU 49 HA LEU 49 3.997 -5.642 -5.878 356 HB2 LEU 49 2HB LEU 49 1.567 -5.193 -6.129 357 HB3 LEU 49 3HB LEU 49 1.757 -3.696 -5.214 358 HG LEU 49 HG LEU 49 3.124 -2.725 -6.991 359 HD11 LEU 49 1HD1 LEU 49 3.380 -3.899 -9.178 360 HD12 LEU 49 2HD1 LEU 49 4.289 -4.688 -7.892 361 HD13 LEU 49 3HD1 LEU 49 2.744 -5.387 -8.441 362 HD21 LEU 49 1HD2 LEU 49 0.661 -2.563 -7.121 363 HD22 LEU 49 2HD2 LEU 49 1.404 -2.581 -8.726 364 HD23 LEU 49 3HD2 LEU 49 0.612 -4.044 -8.099 365 H TYR 50 H TYR 50 3.955 -4.108 -2.791 366 HA TYR 50 HA TYR 50 5.518 -1.890 -2.832 367 HB2 TYR 50 2HB TYR 50 4.805 -3.038 -0.839 368 HB3 TYR 50 3HB TYR 50 5.770 -4.454 -1.224 369 HD1 TYR 50 HD1 TYR 50 8.304 -4.361 -1.004 370 HD2 TYR 50 HD2 TYR 50 5.680 -1.256 0.426 371 HE1 TYR 50 HE1 TYR 50 10.120 -3.504 0.461 372 HE2 TYR 50 HE2 TYR 50 7.497 -0.450 1.958 373 HH TYR 50 HH TYR 50 10.704 -2.004 2.096 374 H ALA 51 H ALA 51 7.618 -1.305 -3.036 375 HA ALA 51 HA ALA 51 9.737 -3.322 -3.230 376 HB1 ALA 51 1HB ALA 51 10.882 -2.003 -5.052 377 HB2 ALA 51 2HB ALA 51 9.414 -2.854 -5.582 378 HB3 ALA 51 3HB ALA 51 9.367 -1.109 -5.288 379 H GLY 52 H GLY 52 11.413 -2.764 -1.909 380 HA2 GLY 52 2HA GLY 52 11.108 -0.547 -0.162 381 HA3 GLY 52 3HA GLY 52 12.435 -1.702 -0.173 382 H LYS 53 H LYS 53 12.858 0.885 0.507 383 HA LYS 53 HA LYS 53 14.214 2.305 -1.727 384 HB2 LYS 53 2HB LYS 53 13.309 2.927 1.059 385 HB3 LYS 53 3HB LYS 53 14.820 3.677 0.555 386 HG2 LYS 53 2HG LYS 53 13.063 5.204 0.150 387 HG3 LYS 53 3HG LYS 53 13.690 4.660 -1.408 388 HD2 LYS 53 2HD LYS 53 11.767 3.184 -1.718 389 HD3 LYS 53 3HD LYS 53 11.142 3.561 -0.103 390 HE2 LYS 53 2HE LYS 53 11.717 5.830 -2.021 391 HE3 LYS 53 3HE LYS 53 10.294 4.835 -2.318 392 HZ1 LYS 53 1HZ LYS 53 10.779 6.352 0.168 393 HZ2 LYS 53 2HZ LYS 53 9.694 6.697 -1.024 394 HZ3 LYS 53 3HZ LYS 53 9.486 5.362 -0.127 395 H ALA 54 H ALA 54 15.972 1.390 -2.355 396 HA ALA 54 HA ALA 54 17.913 0.203 -2.498 397 HB1 ALA 54 1HB ALA 54 19.778 1.460 -1.564 398 HB2 ALA 54 2HB ALA 54 18.524 2.555 -2.173 399 HB3 ALA 54 3HB ALA 54 18.695 2.274 -0.428 Start of MODEL 8 1 H1 VAL 1 1H VAL 1 -6.391 11.506 -16.155 2 H2 VAL 1 2H VAL 1 -7.619 10.424 -16.278 3 H3 VAL 1 3H VAL 1 -6.219 10.172 -17.099 4 HA VAL 1 HA VAL 1 -5.002 9.829 -15.102 5 HB VAL 1 HB VAL 1 -6.322 9.542 -12.954 6 HG11 VAL 1 1HG1 VAL 1 -6.036 11.883 -12.354 7 HG12 VAL 1 2HG1 VAL 1 -4.666 11.307 -13.321 8 HG13 VAL 1 3HG1 VAL 1 -5.903 12.346 -14.055 9 HG21 VAL 1 1HG2 VAL 1 -8.652 9.805 -13.860 10 HG22 VAL 1 2HG2 VAL 1 -8.262 10.944 -12.571 11 HG23 VAL 1 3HG2 VAL 1 -8.277 11.499 -14.251 12 H THR 2 H THR 2 -4.484 7.782 -15.092 13 HA THR 2 HA THR 2 -6.455 5.812 -16.096 14 HB THR 2 HB THR 2 -3.498 5.445 -15.490 15 HG1 THR 2 HG1 THR 2 -3.334 5.597 -17.766 16 HG21 THR 2 1HG2 THR 2 -4.805 3.313 -15.604 17 HG22 THR 2 2HG2 THR 2 -5.429 3.802 -17.192 18 HG23 THR 2 3HG2 THR 2 -3.698 3.476 -16.959 19 H LYS 3 H LYS 3 -7.425 4.298 -14.854 20 HA LYS 3 HA LYS 3 -7.343 4.435 -11.982 21 HB2 LYS 3 2HB LYS 3 -9.218 3.609 -13.627 22 HB3 LYS 3 3HB LYS 3 -8.362 2.080 -13.609 23 HG2 LYS 3 2HG LYS 3 -10.072 1.857 -12.002 24 HG3 LYS 3 3HG LYS 3 -8.626 2.130 -11.030 25 HD2 LYS 3 2HD LYS 3 -9.264 4.516 -10.747 26 HD3 LYS 3 3HD LYS 3 -10.635 4.287 -11.842 27 HE2 LYS 3 2HE LYS 3 -11.610 2.622 -10.267 28 HE3 LYS 3 3HE LYS 3 -10.248 2.890 -9.160 29 HZ1 LYS 3 1HZ LYS 3 -10.924 5.190 -8.961 30 HZ2 LYS 3 2HZ LYS 3 -12.215 4.968 -9.987 31 HZ3 LYS 3 3HZ LYS 3 -12.170 4.242 -8.528 32 H LYS 4 H LYS 4 -6.418 3.090 -10.451 33 HA LYS 4 HA LYS 4 -4.035 1.559 -11.343 34 HB2 LYS 4 2HB LYS 4 -4.941 2.594 -8.641 35 HB3 LYS 4 3HB LYS 4 -3.584 1.486 -8.797 36 HG2 LYS 4 2HG LYS 4 -3.494 3.750 -10.675 37 HG3 LYS 4 3HG LYS 4 -3.431 4.248 -8.980 38 HD2 LYS 4 2HD LYS 4 -1.215 4.028 -10.051 39 HD3 LYS 4 3HD LYS 4 -1.396 2.966 -8.643 40 HE2 LYS 4 2HE LYS 4 -1.638 1.033 -9.977 41 HE3 LYS 4 3HE LYS 4 -2.017 1.949 -11.425 42 HZ1 LYS 4 1HZ LYS 4 0.230 2.563 -11.696 43 HZ2 LYS 4 2HZ LYS 4 0.638 2.123 -10.181 44 HZ3 LYS 4 3HZ LYS 4 0.282 0.956 -11.263 45 H ALA 5 H ALA 5 -3.488 -0.309 -10.160 46 HA ALA 5 HA ALA 5 -5.432 -2.454 -10.483 47 HB1 ALA 5 1HB ALA 5 -2.702 -2.409 -9.123 48 HB2 ALA 5 2HB ALA 5 -3.647 -3.867 -9.489 49 HB3 ALA 5 3HB ALA 5 -3.034 -2.863 -10.813 50 H SER 6 H SER 6 -6.447 -3.714 -8.802 51 HA SER 6 HA SER 6 -7.168 -2.120 -6.476 52 HB2 SER 6 2HB SER 6 -8.535 -3.901 -5.752 53 HB3 SER 6 3HB SER 6 -8.729 -3.767 -7.508 54 HG SER 6 HG SER 6 -8.116 -5.758 -7.604 55 H HIS 7 H HIS 7 -6.744 -2.557 -4.337 56 HA HIS 7 HA HIS 7 -4.100 -3.248 -3.485 57 HB2 HIS 7 2HB HIS 7 -5.458 -3.360 -1.232 58 HB3 HIS 7 3HB HIS 7 -5.263 -1.850 -2.058 59 HD2 HIS 7 HD2 HIS 7 -7.346 -0.529 -2.818 60 HE1 HIS 7 HE1 HIS 7 -10.305 -3.560 -2.380 61 HE2 HIS 7 HE2 HIS 7 -9.896 -1.109 -2.978 62 H LYS 8 H LYS 8 -7.030 -5.154 -3.776 63 HA LYS 8 HA LYS 8 -6.149 -7.664 -2.722 64 HB2 LYS 8 2HB LYS 8 -8.025 -7.251 -5.098 65 HB3 LYS 8 3HB LYS 8 -7.901 -8.668 -4.080 66 HG2 LYS 8 2HG LYS 8 -8.975 -5.940 -3.276 67 HG3 LYS 8 3HG LYS 8 -9.859 -7.415 -3.622 68 HD2 LYS 8 2HD LYS 8 -8.471 -8.474 -1.669 69 HD3 LYS 8 3HD LYS 8 -8.035 -6.819 -1.258 70 HE2 LYS 8 2HE LYS 8 -10.410 -6.208 -0.994 71 HE3 LYS 8 3HE LYS 8 -10.906 -7.827 -1.516 72 HZ1 LYS 8 1HZ LYS 8 -10.954 -7.665 0.903 73 HZ2 LYS 8 2HZ LYS 8 -9.751 -8.718 0.464 74 HZ3 LYS 8 3HZ LYS 8 -9.398 -7.214 0.971 75 H ASP 9 H ASP 9 -6.221 -6.661 -6.127 76 HA ASP 9 HA ASP 9 -4.763 -8.781 -7.311 77 HB2 ASP 9 2HB ASP 9 -6.058 -6.793 -8.341 78 HB3 ASP 9 3HB ASP 9 -4.564 -5.898 -8.187 79 H ALA 10 H ALA 10 -3.542 -5.735 -5.935 80 HA ALA 10 HA ALA 10 -0.738 -6.316 -6.247 81 HB1 ALA 10 1HB ALA 10 -2.222 -4.368 -4.445 82 HB2 ALA 10 2HB ALA 10 -0.493 -4.305 -4.811 83 HB3 ALA 10 3HB ALA 10 -1.676 -4.047 -6.109 84 H GLY 11 H GLY 11 -2.893 -7.872 -4.193 85 HA2 GLY 11 2HA GLY 11 -2.505 -9.471 -2.632 86 HA3 GLY 11 3HA GLY 11 -0.765 -9.241 -2.822 87 H TYR 12 H TYR 12 -3.045 -6.692 -1.768 88 HA TYR 12 HA TYR 12 -1.379 -6.192 0.475 89 HB2 TYR 12 2HB TYR 12 -2.269 -4.196 0.561 90 HB3 TYR 12 3HB TYR 12 -2.992 -4.575 -0.968 91 HD1 TYR 12 HD1 TYR 12 -5.369 -6.168 -0.414 92 HD2 TYR 12 HD2 TYR 12 -3.638 -3.016 1.964 93 HE1 TYR 12 HE1 TYR 12 -7.609 -5.639 0.555 94 HE2 TYR 12 HE2 TYR 12 -5.863 -2.500 2.918 95 HH TYR 12 HH TYR 12 -8.818 -4.244 1.848 96 H GLN 13 H GLN 13 -1.958 -5.762 2.600 97 HA GLN 13 HA GLN 13 -4.050 -7.473 3.815 98 HB2 GLN 13 2HB GLN 13 -2.323 -7.914 5.697 99 HB3 GLN 13 3HB GLN 13 -2.253 -8.872 4.240 100 HG2 GLN 13 2HG GLN 13 -0.359 -7.540 3.375 101 HG3 GLN 13 3HG GLN 13 -0.452 -6.486 4.794 102 HE21 GLN 13 1HE2 GLN 13 1.257 -6.782 5.954 103 HE22 GLN 13 2HE2 GLN 13 1.798 -8.355 6.495 104 H GLU 14 H GLU 14 -4.577 -6.848 5.983 105 HA GLU 14 HA GLU 14 -5.045 -4.065 6.212 106 HB2 GLU 14 2HB GLU 14 -6.088 -4.627 8.326 107 HB3 GLU 14 3HB GLU 14 -6.427 -5.893 7.155 108 HG2 GLU 14 2HG GLU 14 -4.511 -7.235 8.147 109 HG3 GLU 14 3HG GLU 14 -4.417 -6.027 9.427 110 H SER 15 H SER 15 -2.084 -5.552 6.908 111 HA SER 15 HA SER 15 -1.246 -3.261 8.568 112 HB2 SER 15 2HB SER 15 -0.191 -4.952 10.231 113 HB3 SER 15 3HB SER 15 -1.902 -4.605 10.336 114 HG SER 15 HG SER 15 -0.538 -6.903 9.516 115 HA PRO 16 HA PRO 16 2.754 -3.553 6.751 116 HB2 PRO 16 2HB PRO 16 3.985 -3.628 9.473 117 HB3 PRO 16 3HB PRO 16 4.330 -2.521 8.135 118 HG2 PRO 16 2HG PRO 16 2.844 -1.769 10.309 119 HG3 PRO 16 3HG PRO 16 2.449 -1.170 8.666 120 HD2 PRO 16 2HD PRO 16 1.098 -3.325 10.270 121 HD3 PRO 16 3HD PRO 16 0.412 -2.117 9.153 122 H ASN 17 H ASN 17 4.346 -5.043 6.196 123 HA ASN 17 HA ASN 17 4.313 -7.741 7.514 124 HB2 ASN 17 2HB ASN 17 3.720 -7.881 5.187 125 HB3 ASN 17 3HB ASN 17 4.987 -6.781 4.720 126 HD21 ASN 17 1HD2 ASN 17 5.381 -8.569 3.182 127 HD22 ASN 17 2HD2 ASN 17 6.401 -9.909 3.661 128 H GLY 18 H GLY 18 5.681 -7.312 9.232 129 HA2 GLY 18 2HA GLY 18 7.672 -6.973 10.361 130 HA3 GLY 18 3HA GLY 18 8.477 -7.475 8.874 131 H ALA 19 H ALA 19 9.700 -6.008 7.870 132 HA ALA 19 HA ALA 19 10.024 -3.307 8.855 133 HB1 ALA 19 1HB ALA 19 11.877 -4.772 8.095 134 HB2 ALA 19 2HB ALA 19 11.205 -4.777 6.452 135 HB3 ALA 19 3HB ALA 19 11.818 -3.269 7.155 136 H LYS 20 H LYS 20 7.922 -4.603 6.361 137 HA LYS 20 HA LYS 20 8.024 -2.034 4.831 138 HB2 LYS 20 2HB LYS 20 6.925 -4.692 3.865 139 HB3 LYS 20 3HB LYS 20 7.173 -3.209 2.948 140 HG2 LYS 20 2HG LYS 20 9.052 -4.254 2.273 141 HG3 LYS 20 3HG LYS 20 9.717 -3.545 3.748 142 HD2 LYS 20 2HD LYS 20 9.176 -5.730 4.934 143 HD3 LYS 20 3HD LYS 20 8.627 -6.381 3.380 144 HE2 LYS 20 2HE LYS 20 10.888 -5.953 2.424 145 HE3 LYS 20 3HE LYS 20 11.423 -5.327 3.997 146 HZ1 LYS 20 1HZ LYS 20 10.856 -7.524 4.937 147 HZ2 LYS 20 2HZ LYS 20 10.521 -8.083 3.400 148 HZ3 LYS 20 3HZ LYS 20 12.046 -7.611 3.805 149 H ARG 21 H ARG 21 6.412 -0.752 4.613 150 HA ARG 21 HA ARG 21 3.622 -1.683 4.819 151 HB2 ARG 21 2HB ARG 21 2.936 -0.432 6.532 152 HB3 ARG 21 3HB ARG 21 4.605 -0.571 7.048 153 HG2 ARG 21 2HG ARG 21 4.950 1.758 5.896 154 HG3 ARG 21 3HG ARG 21 3.180 1.812 5.855 155 HD2 ARG 21 2HD ARG 21 3.336 1.163 8.386 156 HD3 ARG 21 3HD ARG 21 5.001 1.733 8.259 157 HE ARG 21 HE ARG 21 2.603 3.399 7.503 158 HH11 ARG 21 1HH1 ARG 21 5.701 3.314 9.222 159 HH12 ARG 21 2HH1 ARG 21 5.306 4.791 10.088 160 HH21 ARG 21 1HH2 ARG 21 2.328 5.388 8.546 161 HH22 ARG 21 2HH2 ARG 21 3.652 5.991 9.492 162 H CYS 22 H CYS 22 2.097 0.231 4.064 163 HA CYS 22 HA CYS 22 3.057 1.684 1.800 164 HB2 CYS 22 2HB CYS 22 0.640 2.192 3.588 165 HB3 CYS 22 3HB CYS 22 0.901 2.800 1.938 166 H GLY 23 H GLY 23 1.712 3.987 3.903 167 HA2 GLY 23 2HA GLY 23 2.469 5.760 5.145 168 HA3 GLY 23 3HA GLY 23 3.880 4.774 5.517 169 H THR 24 H THR 24 5.416 4.660 3.573 170 HA THR 24 HA THR 24 5.397 6.942 1.731 171 HB THR 24 HB THR 24 6.827 7.772 3.492 172 HG1 THR 24 HG1 THR 24 8.650 8.124 2.071 173 HG21 THR 24 1HG2 THR 24 9.021 6.802 3.894 174 HG22 THR 24 2HG2 THR 24 7.759 5.658 4.295 175 HG23 THR 24 3HG2 THR 24 8.673 5.470 2.771 176 H CYS 25 H CYS 25 6.611 3.713 2.634 177 HA CYS 25 HA CYS 25 7.274 1.922 1.415 178 HB2 CYS 25 2HB CYS 25 4.977 1.889 0.915 179 HB3 CYS 25 3HB CYS 25 5.081 3.148 -0.264 180 H ARG 26 H ARG 26 7.374 1.920 -1.571 181 HA ARG 26 HA ARG 26 9.183 4.251 -2.142 182 HB2 ARG 26 2HB ARG 26 9.213 1.488 -3.327 183 HB3 ARG 26 3HB ARG 26 9.465 2.824 -4.437 184 HG2 ARG 26 2HG ARG 26 11.109 2.541 -1.898 185 HG3 ARG 26 3HG ARG 26 11.542 1.751 -3.420 186 HD2 ARG 26 2HD ARG 26 11.623 3.906 -4.589 187 HD3 ARG 26 3HD ARG 26 11.153 4.755 -3.124 188 HE ARG 26 HE ARG 26 13.811 3.742 -3.829 189 HH11 ARG 26 1HH1 ARG 26 11.885 5.065 -1.134 190 HH12 ARG 26 2HH1 ARG 26 13.288 4.947 -0.080 191 HH21 ARG 26 1HH2 ARG 26 15.521 4.050 -2.432 192 HH22 ARG 26 2HH2 ARG 26 15.189 4.600 -0.798 193 H GLN 27 H GLN 27 6.083 3.042 -2.243 194 HA GLN 27 HA GLN 27 5.316 4.655 -4.637 195 HB2 GLN 27 2HB GLN 27 4.469 1.874 -3.778 196 HB3 GLN 27 3HB GLN 27 3.749 2.740 -5.126 197 HG2 GLN 27 2HG GLN 27 6.690 1.953 -4.978 198 HG3 GLN 27 3HG GLN 27 5.447 1.009 -5.765 199 HE21 GLN 27 1HE2 GLN 27 7.129 4.204 -5.935 200 HE22 GLN 27 2HE2 GLN 27 6.829 4.386 -7.652 201 H PHE 28 H PHE 28 4.781 4.800 -1.347 202 HA PHE 28 HA PHE 28 1.857 5.015 -1.491 203 HB2 PHE 28 2HB PHE 28 3.071 4.456 0.645 204 HB3 PHE 28 3HB PHE 28 3.676 6.107 0.658 205 HD1 PHE 28 HD1 PHE 28 0.411 4.226 0.362 206 HD2 PHE 28 HD2 PHE 28 2.408 7.780 1.761 207 HE1 PHE 28 HE1 PHE 28 -1.651 4.917 1.553 208 HE2 PHE 28 HE2 PHE 28 0.335 8.474 2.945 209 HZ PHE 28 HZ PHE 28 -1.688 7.034 2.854 210 H ARG 29 H ARG 29 0.638 6.940 -1.465 211 HA ARG 29 HA ARG 29 2.053 9.391 -2.411 212 HB2 ARG 29 2HB ARG 29 1.279 7.838 -4.257 213 HB3 ARG 29 3HB ARG 29 -0.371 8.139 -3.744 214 HG2 ARG 29 2HG ARG 29 0.136 9.564 -5.599 215 HG3 ARG 29 3HG ARG 29 -0.037 10.542 -4.141 216 HD2 ARG 29 2HD ARG 29 2.441 10.749 -3.975 217 HD3 ARG 29 3HD ARG 29 2.624 9.640 -5.351 218 HE ARG 29 HE ARG 29 1.033 12.066 -5.841 219 HH11 ARG 29 1HH1 ARG 29 4.426 11.121 -5.689 220 HH12 ARG 29 2HH1 ARG 29 4.798 12.186 -7.053 221 HH21 ARG 29 1HH2 ARG 29 1.671 13.266 -7.629 222 HH22 ARG 29 2HH2 ARG 29 3.401 13.379 -7.967 223 HA PRO 30 HA PRO 30 -0.563 10.269 1.148 224 HB2 PRO 30 2HB PRO 30 0.961 12.873 0.984 225 HB3 PRO 30 3HB PRO 30 0.531 11.915 2.438 226 HG2 PRO 30 2HG PRO 30 3.019 11.747 1.412 227 HG3 PRO 30 3HG PRO 30 2.165 10.252 1.917 228 HD2 PRO 30 2HD PRO 30 2.488 11.394 -0.869 229 HD3 PRO 30 3HD PRO 30 2.660 9.704 -0.305 230 HA PRO 31 HA PRO 31 -1.728 11.656 2.718 231 HB2 PRO 31 2HB PRO 31 -4.332 11.908 3.445 232 HB3 PRO 31 3HB PRO 31 -3.244 13.307 3.207 233 HG2 PRO 31 2HG PRO 31 -5.219 12.137 1.216 234 HG3 PRO 31 3HG PRO 31 -5.046 13.851 1.723 235 HD2 PRO 31 2HD PRO 31 -3.858 12.931 -0.534 236 HD3 PRO 31 3HD PRO 31 -3.028 14.103 0.520 237 H SER 32 H SER 32 -3.879 10.128 0.279 238 HA SER 32 HA SER 32 -3.738 7.566 1.767 239 HB2 SER 32 2HB SER 32 -6.222 7.365 1.748 240 HB3 SER 32 3HB SER 32 -5.602 8.632 2.803 241 HG SER 32 HG SER 32 -6.823 8.946 0.247 242 H SER 33 H SER 33 -2.715 8.396 -0.907 243 HA SER 33 HA SER 33 -4.179 6.391 -2.593 244 HB2 SER 33 2HB SER 33 -2.631 8.837 -3.498 245 HB3 SER 33 3HB SER 33 -3.400 7.646 -4.549 246 HG SER 33 HG SER 33 -4.659 9.418 -2.717 247 H CYS 34 H CYS 34 -2.673 5.534 -4.365 248 HA CYS 34 HA CYS 34 0.162 5.269 -3.497 249 HB2 CYS 34 2HB CYS 34 -0.967 3.430 -2.460 250 HB3 CYS 34 3HB CYS 34 -1.780 2.989 -3.962 251 H ILE 35 H ILE 35 1.573 4.502 -5.047 252 HA ILE 35 HA ILE 35 0.977 5.268 -7.855 253 HB ILE 35 HB ILE 35 3.619 4.580 -6.530 254 HG12 ILE 35 2HG1 ILE 35 2.488 7.316 -7.287 255 HG13 ILE 35 3HG1 ILE 35 2.588 6.686 -5.647 256 HG21 ILE 35 1HG2 ILE 35 3.655 4.168 -8.973 257 HG22 ILE 35 2HG2 ILE 35 3.038 5.810 -9.261 258 HG23 ILE 35 3HG2 ILE 35 4.652 5.541 -8.567 259 HD11 ILE 35 1HD1 ILE 35 4.400 8.193 -5.926 260 HD12 ILE 35 2HD1 ILE 35 5.073 6.557 -5.845 261 HD13 ILE 35 3HD1 ILE 35 4.949 7.402 -7.404 262 H THR 36 H THR 36 1.254 2.428 -5.845 263 HA THR 36 HA THR 36 1.328 0.602 -8.210 264 HB THR 36 HB THR 36 1.098 -0.096 -5.270 265 HG1 THR 36 HG1 THR 36 3.064 0.110 -5.074 266 HG21 THR 36 1HG2 THR 36 0.542 -1.963 -6.768 267 HG22 THR 36 2HG2 THR 36 2.041 -1.688 -7.688 268 HG23 THR 36 3HG2 THR 36 2.106 -2.227 -5.989 269 H VAL 37 H VAL 37 -0.762 1.622 -5.533 270 HA VAL 37 HA VAL 37 -2.914 -0.230 -6.430 271 HB VAL 37 HB VAL 37 -1.798 0.677 -3.765 272 HG11 VAL 37 1HG1 VAL 37 -4.454 -0.750 -4.067 273 HG12 VAL 37 2HG1 VAL 37 -3.499 -0.578 -2.567 274 HG13 VAL 37 3HG1 VAL 37 -4.174 0.850 -3.328 275 HG21 VAL 37 1HG2 VAL 37 -0.834 -1.312 -4.861 276 HG22 VAL 37 2HG2 VAL 37 -1.685 -1.765 -3.396 277 HG23 VAL 37 3HG2 VAL 37 -2.456 -2.030 -4.982 278 H GLU 38 H GLU 38 -5.044 0.231 -6.056 279 HA GLU 38 HA GLU 38 -6.383 2.523 -6.722 280 HB2 GLU 38 2HB GLU 38 -6.888 0.024 -5.242 281 HB3 GLU 38 3HB GLU 38 -7.890 1.303 -4.609 282 HG2 GLU 38 2HG GLU 38 -7.707 0.754 -7.576 283 HG3 GLU 38 3HG GLU 38 -8.793 -0.142 -6.522 284 H SER 39 H SER 39 -7.909 3.802 -5.405 285 HA SER 39 HA SER 39 -6.755 4.762 -2.834 286 HB2 SER 39 2HB SER 39 -6.005 6.192 -4.690 287 HB3 SER 39 3HB SER 39 -7.699 6.584 -5.026 288 HG SER 39 HG SER 39 -6.141 7.828 -3.432 289 HA PRO 40 HA PRO 40 -7.464 5.979 -1.034 290 HB2 PRO 40 2HB PRO 40 -8.601 5.394 1.369 291 HB3 PRO 40 3HB PRO 40 -9.044 6.842 0.410 292 HG2 PRO 40 2HG PRO 40 -10.456 4.150 0.475 293 HG3 PRO 40 3HG PRO 40 -11.175 5.782 0.671 294 HD2 PRO 40 2HD PRO 40 -11.188 4.511 -1.726 295 HD3 PRO 40 3HD PRO 40 -10.920 6.272 -1.624 296 H ILE 41 H ILE 41 -5.922 4.932 0.113 297 HA ILE 41 HA ILE 41 -6.176 2.113 0.926 298 HB ILE 41 HB ILE 41 -5.109 1.987 -1.244 299 HG12 ILE 41 2HG1 ILE 41 -2.956 0.923 -0.728 300 HG13 ILE 41 3HG1 ILE 41 -2.983 1.568 0.903 301 HG21 ILE 41 1HG2 ILE 41 -2.951 3.884 -0.226 302 HG22 ILE 41 2HG2 ILE 41 -3.012 3.046 -1.795 303 HG23 ILE 41 3HG2 ILE 41 -4.208 4.277 -1.427 304 HD11 ILE 41 1HD1 ILE 41 -3.686 -0.825 0.733 305 HD12 ILE 41 2HD1 ILE 41 -4.949 0.188 1.447 306 HD13 ILE 41 3HD1 ILE 41 -5.083 -0.331 -0.247 307 H SER 42 H SER 42 -4.916 1.624 2.766 308 HA SER 42 HA SER 42 -4.663 3.868 4.546 309 HB2 SER 42 2HB SER 42 -5.471 1.656 5.241 310 HB3 SER 42 3HB SER 42 -3.852 0.985 4.983 311 HG SER 42 HG SER 42 -3.896 1.527 7.083 312 H GLU 43 H GLU 43 -2.883 4.808 5.532 313 HA GLU 43 HA GLU 43 -0.283 4.557 4.334 314 HB2 GLU 43 2HB GLU 43 0.514 5.989 6.049 315 HB3 GLU 43 3HB GLU 43 -0.998 6.619 5.420 316 HG2 GLU 43 2HG GLU 43 -2.181 6.149 7.349 317 HG3 GLU 43 3HG GLU 43 -1.043 4.921 7.905 318 H ASN 44 H ASN 44 -1.745 2.251 6.144 319 HA ASN 44 HA ASN 44 0.879 1.065 6.934 320 HB2 ASN 44 2HB ASN 44 -0.112 0.095 8.891 321 HB3 ASN 44 3HB ASN 44 -0.477 1.818 8.904 322 HD21 ASN 44 1HD2 ASN 44 -2.041 1.410 10.462 323 HD22 ASN 44 2HD2 ASN 44 -3.622 0.913 9.874 324 H GLY 45 H GLY 45 -1.457 0.690 4.614 325 HA2 GLY 45 2HA GLY 45 -2.183 -2.112 5.047 326 HA3 GLY 45 3HA GLY 45 -2.768 -1.028 3.789 327 H TRP 46 H TRP 46 0.363 -2.552 4.685 328 HA TRP 46 HA TRP 46 1.741 -2.309 2.334 329 HB2 TRP 46 2HB TRP 46 2.566 -3.471 4.491 330 HB3 TRP 46 3HB TRP 46 1.640 -4.836 3.985 331 HD1 TRP 46 HD1 TRP 46 4.399 -2.703 2.268 332 HE1 TRP 46 HE1 TRP 46 5.877 -4.254 0.869 333 HE3 TRP 46 HE3 TRP 46 2.002 -7.133 3.113 334 HZ2 TRP 46 HZ2 TRP 46 6.207 -7.093 0.466 335 HZ3 TRP 46 HZ3 TRP 46 2.864 -9.242 2.117 336 HH2 TRP 46 HH2 TRP 46 4.979 -9.230 0.801 337 H CYS 47 H CYS 47 1.851 -3.134 0.305 338 HA CYS 47 HA CYS 47 0.304 -5.582 -0.360 339 HB2 CYS 47 2HB CYS 47 -0.289 -4.683 -2.425 340 HB3 CYS 47 3HB CYS 47 -0.374 -3.261 -1.372 341 H ARG 48 H ARG 48 1.112 -6.983 -1.929 342 HA ARG 48 HA ARG 48 3.971 -7.565 -1.613 343 HB2 ARG 48 2HB ARG 48 1.666 -8.877 -3.131 344 HB3 ARG 48 3HB ARG 48 3.332 -9.443 -3.262 345 HG2 ARG 48 2HG ARG 48 3.452 -9.810 -0.837 346 HG3 ARG 48 3HG ARG 48 1.800 -9.213 -0.639 347 HD2 ARG 48 2HD ARG 48 1.821 -11.613 -0.592 348 HD3 ARG 48 3HD ARG 48 0.953 -11.056 -2.038 349 HE ARG 48 HE ARG 48 3.585 -11.485 -2.892 350 HH11 ARG 48 1HH1 ARG 48 1.229 -13.560 -1.333 351 HH12 ARG 48 2HH1 ARG 48 1.935 -15.008 -2.034 352 HH21 ARG 48 1HH2 ARG 48 4.407 -13.339 -3.722 353 HH22 ARG 48 2HH2 ARG 48 3.845 -14.886 -3.146 354 H LEU 49 H LEU 49 2.121 -5.750 -3.870 355 HA LEU 49 HA LEU 49 4.030 -6.115 -6.073 356 HB2 LEU 49 2HB LEU 49 1.555 -6.206 -6.330 357 HB3 LEU 49 3HB LEU 49 1.474 -4.500 -5.900 358 HG LEU 49 HG LEU 49 2.698 -3.908 -7.967 359 HD11 LEU 49 1HD1 LEU 49 2.703 -6.903 -8.534 360 HD12 LEU 49 2HD1 LEU 49 3.150 -5.607 -9.681 361 HD13 LEU 49 3HD1 LEU 49 4.128 -5.877 -8.253 362 HD21 LEU 49 1HD2 LEU 49 0.241 -4.119 -8.006 363 HD22 LEU 49 2HD2 LEU 49 0.961 -4.524 -9.563 364 HD23 LEU 49 3HD2 LEU 49 0.385 -5.821 -8.476 365 H TYR 50 H TYR 50 4.021 -4.151 -3.396 366 HA TYR 50 HA TYR 50 4.843 -1.673 -4.093 367 HB2 TYR 50 2HB TYR 50 5.865 -1.513 -2.046 368 HB3 TYR 50 3HB TYR 50 4.714 -2.796 -1.781 369 HD1 TYR 50 HD1 TYR 50 5.712 -5.282 -2.082 370 HD2 TYR 50 HD2 TYR 50 8.086 -1.758 -1.383 371 HE1 TYR 50 HE1 TYR 50 7.593 -6.701 -1.240 372 HE2 TYR 50 HE2 TYR 50 9.932 -3.178 -0.498 373 HH TYR 50 HH TYR 50 10.640 -5.299 -0.005 374 H ALA 51 H ALA 51 6.761 -0.576 -4.604 375 HA ALA 51 HA ALA 51 8.555 -2.044 -6.359 376 HB1 ALA 51 1HB ALA 51 9.505 0.108 -6.923 377 HB2 ALA 51 2HB ALA 51 7.740 0.191 -6.980 378 HB3 ALA 51 3HB ALA 51 8.627 0.885 -5.598 379 H GLY 52 H GLY 52 10.675 -2.598 -6.024 380 HA2 GLY 52 2HA GLY 52 11.568 -3.222 -3.447 381 HA3 GLY 52 3HA GLY 52 12.616 -3.126 -4.863 382 H LYS 53 H LYS 53 12.981 -2.353 -1.956 383 HA LYS 53 HA LYS 53 13.220 0.573 -1.898 384 HB2 LYS 53 2HB LYS 53 13.814 -1.618 0.084 385 HB3 LYS 53 3HB LYS 53 14.636 -0.071 0.245 386 HG2 LYS 53 2HG LYS 53 12.744 0.086 1.613 387 HG3 LYS 53 3HG LYS 53 12.432 1.121 0.217 388 HD2 LYS 53 2HD LYS 53 11.048 -0.675 -0.794 389 HD3 LYS 53 3HD LYS 53 11.361 -1.701 0.617 390 HE2 LYS 53 2HE LYS 53 9.679 0.817 0.440 391 HE3 LYS 53 3HE LYS 53 9.166 -0.809 0.885 392 HZ1 LYS 53 1HZ LYS 53 10.763 -0.417 2.905 393 HZ2 LYS 53 2HZ LYS 53 10.640 1.164 2.491 394 HZ3 LYS 53 3HZ LYS 53 9.292 0.329 2.893 395 H ALA 54 H ALA 54 14.387 1.190 -3.449 396 HA ALA 54 HA ALA 54 17.327 1.180 -3.091 397 HB1 ALA 54 1HB ALA 54 15.941 0.587 -5.756 398 HB2 ALA 54 2HB ALA 54 17.684 0.825 -5.510 399 HB3 ALA 54 3HB ALA 54 16.878 -0.576 -4.793 Start of MODEL 9 1 H1 VAL 1 1H VAL 1 -5.322 10.551 -17.351 2 H2 VAL 1 2H VAL 1 -5.872 11.714 -16.337 3 H3 VAL 1 3H VAL 1 -6.896 10.525 -16.865 4 HA VAL 1 HA VAL 1 -4.498 10.087 -15.242 5 HB VAL 1 HB VAL 1 -6.245 11.302 -14.002 6 HG11 VAL 1 1HG1 VAL 1 -7.948 8.787 -14.254 7 HG12 VAL 1 2HG1 VAL 1 -8.311 10.252 -13.321 8 HG13 VAL 1 3HG1 VAL 1 -8.274 10.324 -15.084 9 HG21 VAL 1 1HG2 VAL 1 -4.666 9.810 -12.817 10 HG22 VAL 1 2HG2 VAL 1 -6.231 9.923 -12.017 11 HG23 VAL 1 3HG2 VAL 1 -5.837 8.474 -12.949 12 H THR 2 H THR 2 -3.974 7.942 -14.769 13 HA THR 2 HA THR 2 -5.471 5.904 -16.354 14 HB THR 2 HB THR 2 -3.048 6.091 -16.756 15 HG1 THR 2 HG1 THR 2 -2.825 3.704 -16.329 16 HG21 THR 2 1HG2 THR 2 -2.289 6.453 -14.369 17 HG22 THR 2 2HG2 THR 2 -2.696 4.752 -14.038 18 HG23 THR 2 3HG2 THR 2 -1.442 5.161 -15.229 19 H LYS 3 H LYS 3 -6.431 4.137 -15.524 20 HA LYS 3 HA LYS 3 -6.988 4.044 -12.638 21 HB2 LYS 3 2HB LYS 3 -8.672 3.603 -14.508 22 HB3 LYS 3 3HB LYS 3 -7.821 2.085 -14.793 23 HG2 LYS 3 2HG LYS 3 -9.655 1.513 -13.487 24 HG3 LYS 3 3HG LYS 3 -8.319 1.508 -12.329 25 HD2 LYS 3 2HD LYS 3 -9.021 3.804 -11.581 26 HD3 LYS 3 3HD LYS 3 -10.347 3.766 -12.744 27 HE2 LYS 3 2HE LYS 3 -9.989 1.909 -10.349 28 HE3 LYS 3 3HE LYS 3 -11.126 3.257 -10.475 29 HZ1 LYS 3 1HZ LYS 3 -12.132 2.055 -12.405 30 HZ2 LYS 3 2HZ LYS 3 -11.202 0.759 -12.071 31 HZ3 LYS 3 3HZ LYS 3 -12.325 1.276 -10.981 32 H LYS 4 H LYS 4 -6.042 2.814 -11.219 33 HA LYS 4 HA LYS 4 -3.550 1.464 -11.931 34 HB2 LYS 4 2HB LYS 4 -4.935 1.924 -9.259 35 HB3 LYS 4 3HB LYS 4 -3.344 1.171 -9.387 36 HG2 LYS 4 2HG LYS 4 -3.866 3.761 -10.699 37 HG3 LYS 4 3HG LYS 4 -3.506 3.728 -8.960 38 HD2 LYS 4 2HD LYS 4 -1.307 2.685 -9.514 39 HD3 LYS 4 3HD LYS 4 -1.727 2.764 -11.250 40 HE2 LYS 4 2HE LYS 4 -2.119 5.251 -10.957 41 HE3 LYS 4 3HE LYS 4 -1.499 5.106 -9.311 42 HZ1 LYS 4 1HZ LYS 4 0.234 5.825 -10.870 43 HZ2 LYS 4 2HZ LYS 4 0.625 4.357 -10.271 44 HZ3 LYS 4 3HZ LYS 4 0.033 4.492 -11.792 45 H ALA 5 H ALA 5 -2.990 -0.321 -10.647 46 HA ALA 5 HA ALA 5 -4.628 -2.792 -11.031 47 HB1 ALA 5 1HB ALA 5 -2.087 -2.350 -9.394 48 HB2 ALA 5 2HB ALA 5 -2.840 -3.912 -9.769 49 HB3 ALA 5 3HB ALA 5 -2.136 -2.934 -11.072 50 H SER 6 H SER 6 -6.015 -3.701 -9.364 51 HA SER 6 HA SER 6 -6.750 -1.813 -7.289 52 HB2 SER 6 2HB SER 6 -8.396 -3.336 -6.538 53 HB3 SER 6 3HB SER 6 -8.426 -3.240 -8.299 54 HG SER 6 HG SER 6 -8.463 -5.327 -8.034 55 H HIS 7 H HIS 7 -6.563 -1.932 -5.078 56 HA HIS 7 HA HIS 7 -4.113 -2.848 -3.917 57 HB2 HIS 7 2HB HIS 7 -5.416 -2.416 -1.756 58 HB3 HIS 7 3HB HIS 7 -5.242 -1.074 -2.872 59 HD2 HIS 7 HD2 HIS 7 -7.381 0.118 -3.694 60 HE1 HIS 7 HE1 HIS 7 -10.314 -2.772 -2.587 61 HE2 HIS 7 HE2 HIS 7 -9.946 -0.475 -3.635 62 H LYS 8 H LYS 8 -7.234 -4.360 -4.211 63 HA LYS 8 HA LYS 8 -6.809 -6.815 -2.837 64 HB2 LYS 8 2HB LYS 8 -8.996 -5.956 -3.587 65 HB3 LYS 8 3HB LYS 8 -8.530 -6.233 -5.264 66 HG2 LYS 8 2HG LYS 8 -9.914 -7.998 -4.532 67 HG3 LYS 8 3HG LYS 8 -8.322 -8.676 -4.808 68 HD2 LYS 8 2HD LYS 8 -7.864 -8.804 -2.438 69 HD3 LYS 8 3HD LYS 8 -9.306 -7.857 -2.033 70 HE2 LYS 8 2HE LYS 8 -10.750 -9.670 -2.933 71 HE3 LYS 8 3HE LYS 8 -9.315 -10.598 -3.384 72 HZ1 LYS 8 1HZ LYS 8 -10.077 -9.860 -0.605 73 HZ2 LYS 8 2HZ LYS 8 -10.211 -11.352 -1.251 74 HZ3 LYS 8 3HZ LYS 8 -8.724 -10.688 -1.000 75 H ASP 9 H ASP 9 -6.488 -6.291 -6.380 76 HA ASP 9 HA ASP 9 -5.206 -8.740 -7.023 77 HB2 ASP 9 2HB ASP 9 -5.406 -5.967 -8.220 78 HB3 ASP 9 3HB ASP 9 -4.169 -7.019 -8.815 79 H ALA 10 H ALA 10 -3.822 -5.735 -5.754 80 HA ALA 10 HA ALA 10 -1.071 -6.611 -5.937 81 HB1 ALA 10 1HB ALA 10 -2.384 -4.395 -4.318 82 HB2 ALA 10 2HB ALA 10 -0.669 -4.515 -4.732 83 HB3 ALA 10 3HB ALA 10 -1.875 -4.259 -6.013 84 H GLY 11 H GLY 11 -3.531 -7.598 -3.790 85 HA2 GLY 11 2HA GLY 11 -3.446 -8.954 -1.945 86 HA3 GLY 11 3HA GLY 11 -1.701 -9.130 -2.180 87 H TYR 12 H TYR 12 -3.484 -6.081 -1.597 88 HA TYR 12 HA TYR 12 -1.778 -5.270 0.523 89 HB2 TYR 12 2HB TYR 12 -2.840 -3.319 0.460 90 HB3 TYR 12 3HB TYR 12 -3.360 -3.896 -1.090 91 HD1 TYR 12 HD1 TYR 12 -5.676 -5.528 -0.752 92 HD2 TYR 12 HD2 TYR 12 -4.410 -2.214 1.693 93 HE1 TYR 12 HE1 TYR 12 -8.020 -5.203 -0.007 94 HE2 TYR 12 HE2 TYR 12 -6.781 -1.898 2.459 95 HH TYR 12 HH TYR 12 -9.461 -3.940 1.254 96 H GLN 13 H GLN 13 -2.567 -4.546 2.686 97 HA GLN 13 HA GLN 13 -4.614 -6.203 3.995 98 HB2 GLN 13 2HB GLN 13 -2.779 -6.715 5.844 99 HB3 GLN 13 3HB GLN 13 -3.059 -7.763 4.472 100 HG2 GLN 13 2HG GLN 13 -1.097 -6.804 3.287 101 HG3 GLN 13 3HG GLN 13 -0.769 -5.756 4.676 102 HE21 GLN 13 1HE2 GLN 13 1.090 -6.421 5.407 103 HE22 GLN 13 2HE2 GLN 13 1.459 -8.109 5.721 104 H GLU 14 H GLU 14 -4.795 -5.557 6.410 105 HA GLU 14 HA GLU 14 -5.076 -2.674 6.454 106 HB2 GLU 14 2HB GLU 14 -6.106 -2.915 8.563 107 HB3 GLU 14 3HB GLU 14 -6.686 -4.207 7.515 108 HG2 GLU 14 2HG GLU 14 -5.077 -5.775 8.656 109 HG3 GLU 14 3HG GLU 14 -4.550 -4.448 9.686 110 H SER 15 H SER 15 -2.419 -4.641 7.235 111 HA SER 15 HA SER 15 -1.093 -2.522 8.802 112 HB2 SER 15 2HB SER 15 -0.260 -4.474 10.341 113 HB3 SER 15 3HB SER 15 -1.831 -3.756 10.598 114 HG SER 15 HG SER 15 -1.132 -6.271 9.538 115 HA PRO 16 HA PRO 16 2.608 -3.352 6.661 116 HB2 PRO 16 2HB PRO 16 4.005 -3.771 9.283 117 HB3 PRO 16 3HB PRO 16 4.475 -2.699 7.944 118 HG2 PRO 16 2HG PRO 16 3.309 -1.683 10.158 119 HG3 PRO 16 3HG PRO 16 2.841 -1.096 8.538 120 HD2 PRO 16 2HD PRO 16 1.345 -3.035 10.320 121 HD3 PRO 16 3HD PRO 16 0.742 -1.722 9.285 122 H ASN 17 H ASN 17 4.312 -4.835 6.152 123 HA ASN 17 HA ASN 17 4.046 -7.652 7.155 124 HB2 ASN 17 2HB ASN 17 3.618 -7.604 4.813 125 HB3 ASN 17 3HB ASN 17 4.909 -6.462 4.513 126 HD21 ASN 17 1HD2 ASN 17 5.334 -8.197 2.817 127 HD22 ASN 17 2HD2 ASN 17 6.495 -9.434 3.297 128 H GLY 18 H GLY 18 5.184 -7.099 9.075 129 HA2 GLY 18 2HA GLY 18 7.031 -7.018 10.420 130 HA3 GLY 18 3HA GLY 18 7.919 -7.697 9.057 131 H ALA 19 H ALA 19 9.378 -6.446 8.008 132 HA ALA 19 HA ALA 19 10.049 -3.797 9.033 133 HB1 ALA 19 1HB ALA 19 11.758 -5.468 8.461 134 HB2 ALA 19 2HB ALA 19 11.216 -5.466 6.766 135 HB3 ALA 19 3HB ALA 19 11.942 -4.008 7.474 136 H LYS 20 H LYS 20 8.033 -4.897 6.350 137 HA LYS 20 HA LYS 20 8.454 -2.374 4.821 138 HB2 LYS 20 2HB LYS 20 7.004 -4.924 4.078 139 HB3 LYS 20 3HB LYS 20 7.413 -3.600 3.011 140 HG2 LYS 20 2HG LYS 20 9.437 -4.457 2.550 141 HG3 LYS 20 3HG LYS 20 9.869 -4.569 4.258 142 HD2 LYS 20 2HD LYS 20 8.522 -6.678 4.409 143 HD3 LYS 20 3HD LYS 20 8.204 -6.576 2.686 144 HE2 LYS 20 2HE LYS 20 10.717 -6.600 2.288 145 HE3 LYS 20 3HE LYS 20 10.937 -6.848 4.024 146 HZ1 LYS 20 1HZ LYS 20 9.576 -8.703 2.148 147 HZ2 LYS 20 2HZ LYS 20 11.000 -8.951 2.945 148 HZ3 LYS 20 3HZ LYS 20 9.591 -8.900 3.787 149 H ARG 21 H ARG 21 6.970 -0.790 4.668 150 HA ARG 21 HA ARG 21 4.102 -1.486 4.748 151 HB2 ARG 21 2HB ARG 21 3.459 -0.247 6.481 152 HB3 ARG 21 3HB ARG 21 5.082 -0.543 7.074 153 HG2 ARG 21 2HG ARG 21 5.788 1.701 6.182 154 HG3 ARG 21 3HG ARG 21 4.119 1.951 5.622 155 HD2 ARG 21 2HD ARG 21 3.426 1.526 8.085 156 HD3 ARG 21 3HD ARG 21 5.109 1.791 8.487 157 HE ARG 21 HE ARG 21 3.178 3.749 7.308 158 HH11 ARG 21 1HH1 ARG 21 6.517 3.363 8.431 159 HH12 ARG 21 2HH1 ARG 21 6.689 5.105 8.581 160 HH21 ARG 21 1HH2 ARG 21 3.510 5.955 7.888 161 HH22 ARG 21 2HH2 ARG 21 5.180 6.399 8.188 162 H CYS 22 H CYS 22 2.699 0.268 3.773 163 HA CYS 22 HA CYS 22 3.506 1.188 1.359 164 HB2 CYS 22 2HB CYS 22 1.436 2.279 3.324 165 HB3 CYS 22 3HB CYS 22 1.533 2.737 1.628 166 H GLY 23 H GLY 23 3.689 3.249 4.325 167 HA2 GLY 23 2HA GLY 23 4.841 5.544 3.229 168 HA3 GLY 23 3HA GLY 23 5.146 4.903 4.841 169 H THR 24 H THR 24 6.690 2.623 4.388 170 HA THR 24 HA THR 24 9.231 3.772 3.506 171 HB THR 24 HB THR 24 10.263 1.747 4.314 172 HG1 THR 24 HG1 THR 24 9.271 0.040 4.669 173 HG21 THR 24 1HG2 THR 24 9.701 1.874 6.673 174 HG22 THR 24 2HG2 THR 24 9.724 3.500 5.974 175 HG23 THR 24 3HG2 THR 24 8.172 2.703 6.308 176 H CYS 25 H CYS 25 6.871 1.684 2.092 177 HA CYS 25 HA CYS 25 8.299 0.739 -0.210 178 HB2 CYS 25 2HB CYS 25 6.009 0.000 0.412 179 HB3 CYS 25 3HB CYS 25 5.411 1.625 0.230 180 H ARG 26 H ARG 26 6.932 3.880 0.657 181 HA ARG 26 HA ARG 26 7.001 5.947 -0.265 182 HB2 ARG 26 2HB ARG 26 9.270 5.190 -2.086 183 HB3 ARG 26 3HB ARG 26 8.883 6.747 -1.354 184 HG2 ARG 26 2HG ARG 26 9.364 5.610 0.931 185 HG3 ARG 26 3HG ARG 26 9.993 4.254 -0.011 186 HD2 ARG 26 2HD ARG 26 11.859 5.493 0.516 187 HD3 ARG 26 3HD ARG 26 11.528 5.818 -1.189 188 HE ARG 26 HE ARG 26 10.337 7.769 0.692 189 HH11 ARG 26 1HH1 ARG 26 13.312 7.133 -1.117 190 HH12 ARG 26 2HH1 ARG 26 13.866 8.767 -0.874 191 HH21 ARG 26 1HH2 ARG 26 11.087 9.864 0.782 192 HH22 ARG 26 2HH2 ARG 26 12.532 10.300 -0.100 193 H GLN 27 H GLN 27 5.672 3.533 -1.783 194 HA GLN 27 HA GLN 27 4.895 5.065 -4.209 195 HB2 GLN 27 2HB GLN 27 4.096 2.319 -3.211 196 HB3 GLN 27 3HB GLN 27 3.556 3.042 -4.723 197 HG2 GLN 27 2HG GLN 27 6.503 2.579 -4.070 198 HG3 GLN 27 3HG GLN 27 5.511 1.390 -4.872 199 HE21 GLN 27 1HE2 GLN 27 4.621 1.897 -6.984 200 HE22 GLN 27 2HE2 GLN 27 5.481 3.063 -8.012 201 H PHE 28 H PHE 28 3.838 4.552 -0.912 202 HA PHE 28 HA PHE 28 1.127 5.182 -1.064 203 HB2 PHE 28 2HB PHE 28 2.232 4.602 1.017 204 HB3 PHE 28 3HB PHE 28 3.229 6.045 0.958 205 HD1 PHE 28 HD1 PHE 28 -0.411 5.022 0.973 206 HD2 PHE 28 HD2 PHE 28 2.530 7.958 2.142 207 HE1 PHE 28 HE1 PHE 28 -2.169 6.322 2.150 208 HE2 PHE 28 HE2 PHE 28 0.771 9.242 3.334 209 HZ PHE 28 HZ PHE 28 -1.580 8.430 3.329 210 H ARG 29 H ARG 29 -0.089 6.974 -1.255 211 HA ARG 29 HA ARG 29 1.206 9.576 -1.912 212 HB2 ARG 29 2HB ARG 29 0.882 8.209 -3.944 213 HB3 ARG 29 3HB ARG 29 -0.820 8.004 -3.556 214 HG2 ARG 29 2HG ARG 29 -0.618 9.658 -5.270 215 HG3 ARG 29 3HG ARG 29 -1.164 10.427 -3.776 216 HD2 ARG 29 2HD ARG 29 1.181 11.216 -3.362 217 HD3 ARG 29 3HD ARG 29 1.705 10.410 -4.850 218 HE ARG 29 HE ARG 29 -0.441 12.167 -5.498 219 HH11 ARG 29 1HH1 ARG 29 2.917 12.499 -4.473 220 HH12 ARG 29 2HH1 ARG 29 3.106 13.994 -5.355 221 HH21 ARG 29 1HH2 ARG 29 -0.194 14.034 -6.438 222 HH22 ARG 29 2HH2 ARG 29 1.289 14.959 -6.307 223 HA PRO 30 HA PRO 30 -1.941 10.127 1.236 224 HB2 PRO 30 2HB PRO 30 -1.514 12.773 1.932 225 HB3 PRO 30 3HB PRO 30 -0.490 11.404 2.458 226 HG2 PRO 30 2HG PRO 30 -0.043 13.270 0.106 227 HG3 PRO 30 3HG PRO 30 1.130 12.788 1.374 228 HD2 PRO 30 2HD PRO 30 1.094 11.569 -1.036 229 HD3 PRO 30 3HD PRO 30 1.360 10.606 0.451 230 HA PRO 31 HA PRO 31 -3.510 11.344 2.628 231 HB2 PRO 31 2HB PRO 31 -6.188 11.173 3.050 232 HB3 PRO 31 3HB PRO 31 -5.340 12.734 2.832 233 HG2 PRO 31 2HG PRO 31 -6.877 11.136 0.757 234 HG3 PRO 31 3HG PRO 31 -7.005 12.886 1.127 235 HD2 PRO 31 2HD PRO 31 -5.456 11.935 -0.927 236 HD3 PRO 31 3HD PRO 31 -4.988 13.369 0.026 237 H SER 32 H SER 32 -5.250 9.459 0.119 238 HA SER 32 HA SER 32 -4.729 6.956 1.610 239 HB2 SER 32 2HB SER 32 -6.916 8.033 2.328 240 HB3 SER 32 3HB SER 32 -7.516 7.718 0.697 241 HG SER 32 HG SER 32 -6.330 5.620 2.151 242 H SER 33 H SER 33 -3.553 7.922 -0.865 243 HA SER 33 HA SER 33 -4.582 5.920 -2.840 244 HB2 SER 33 2HB SER 33 -3.150 8.531 -3.427 245 HB3 SER 33 3HB SER 33 -3.741 7.369 -4.609 246 HG SER 33 HG SER 33 -5.304 8.847 -4.541 247 H CYS 34 H CYS 34 -2.809 5.389 -4.473 248 HA CYS 34 HA CYS 34 -0.058 5.354 -3.368 249 HB2 CYS 34 2HB CYS 34 -1.047 3.269 -2.588 250 HB3 CYS 34 3HB CYS 34 -1.626 2.898 -4.203 251 H ILE 35 H ILE 35 1.398 4.397 -5.045 252 HA ILE 35 HA ILE 35 0.823 5.480 -7.783 253 HB ILE 35 HB ILE 35 3.438 4.954 -6.334 254 HG12 ILE 35 2HG1 ILE 35 2.248 7.581 -7.354 255 HG13 ILE 35 3HG1 ILE 35 2.060 7.024 -5.700 256 HG21 ILE 35 1HG2 ILE 35 3.017 6.044 -9.161 257 HG22 ILE 35 2HG2 ILE 35 4.571 5.922 -8.312 258 HG23 ILE 35 3HG2 ILE 35 3.712 4.462 -8.761 259 HD11 ILE 35 1HD1 ILE 35 4.532 7.029 -5.402 260 HD12 ILE 35 2HD1 ILE 35 4.687 7.757 -7.018 261 HD13 ILE 35 3HD1 ILE 35 3.829 8.621 -5.737 262 H THR 36 H THR 36 1.470 2.514 -5.969 263 HA THR 36 HA THR 36 1.632 0.971 -8.515 264 HB THR 36 HB THR 36 1.711 -0.455 -5.914 265 HG1 THR 36 HG1 THR 36 3.333 0.502 -5.227 266 HG21 THR 36 1HG2 THR 36 3.363 -0.574 -8.478 267 HG22 THR 36 2HG2 THR 36 3.518 -1.659 -7.084 268 HG23 THR 36 3HG2 THR 36 2.022 -1.660 -8.043 269 H VAL 37 H VAL 37 -0.612 1.640 -5.868 270 HA VAL 37 HA VAL 37 -2.554 -0.226 -7.151 271 HB VAL 37 HB VAL 37 -3.366 -0.992 -5.107 272 HG11 VAL 37 1HG1 VAL 37 -0.333 -1.029 -4.839 273 HG12 VAL 37 2HG1 VAL 37 -1.475 -2.184 -4.175 274 HG13 VAL 37 3HG1 VAL 37 -1.274 -2.053 -5.945 275 HG21 VAL 37 1HG2 VAL 37 -3.138 1.067 -3.686 276 HG22 VAL 37 2HG2 VAL 37 -2.574 -0.417 -2.911 277 HG23 VAL 37 3HG2 VAL 37 -1.395 0.717 -3.565 278 H GLU 38 H GLU 38 -4.770 0.091 -6.773 279 HA GLU 38 HA GLU 38 -5.934 2.662 -7.011 280 HB2 GLU 38 2HB GLU 38 -6.921 -0.018 -5.992 281 HB3 GLU 38 3HB GLU 38 -7.948 1.385 -5.910 282 HG2 GLU 38 2HG GLU 38 -7.722 1.718 -8.352 283 HG3 GLU 38 3HG GLU 38 -6.833 0.199 -8.468 284 H SER 39 H SER 39 -7.164 3.895 -5.652 285 HA SER 39 HA SER 39 -6.678 3.811 -2.730 286 HB2 SER 39 2HB SER 39 -7.846 5.965 -2.685 287 HB3 SER 39 3HB SER 39 -6.505 5.984 -3.833 288 HG SER 39 HG SER 39 -9.243 6.125 -4.256 289 HA PRO 40 HA PRO 40 -8.095 4.731 -0.932 290 HB2 PRO 40 2HB PRO 40 -9.311 3.786 1.279 291 HB3 PRO 40 3HB PRO 40 -10.144 4.862 0.115 292 HG2 PRO 40 2HG PRO 40 -10.288 1.832 0.281 293 HG3 PRO 40 3HG PRO 40 -11.642 2.997 0.169 294 HD2 PRO 40 2HD PRO 40 -10.606 1.708 -2.026 295 HD3 PRO 40 3HD PRO 40 -11.259 3.369 -2.117 296 H ILE 41 H ILE 41 -6.353 4.399 0.343 297 HA ILE 41 HA ILE 41 -5.564 1.711 1.292 298 HB ILE 41 HB ILE 41 -4.569 2.728 -1.072 299 HG12 ILE 41 2HG1 ILE 41 -4.449 0.434 -0.513 300 HG13 ILE 41 3HG1 ILE 41 -2.872 1.029 -1.004 301 HG21 ILE 41 1HG2 ILE 41 -2.356 3.323 0.920 302 HG22 ILE 41 2HG2 ILE 41 -2.301 3.416 -0.834 303 HG23 ILE 41 3HG2 ILE 41 -3.331 4.537 0.057 304 HD11 ILE 41 1HD1 ILE 41 -3.727 0.340 1.833 305 HD12 ILE 41 2HD1 ILE 41 -2.599 -0.538 0.794 306 HD13 ILE 41 3HD1 ILE 41 -2.150 1.061 1.397 307 H SER 42 H SER 42 -3.588 1.899 2.801 308 HA SER 42 HA SER 42 -3.867 4.319 4.559 309 HB2 SER 42 2HB SER 42 -4.717 2.160 5.475 310 HB3 SER 42 3HB SER 42 -3.105 1.472 5.301 311 HG SER 42 HG SER 42 -2.883 2.202 7.237 312 H GLU 43 H GLU 43 -1.904 5.125 5.571 313 HA GLU 43 HA GLU 43 0.510 4.929 4.052 314 HB2 GLU 43 2HB GLU 43 1.564 6.168 5.802 315 HB3 GLU 43 3HB GLU 43 -0.020 6.859 5.497 316 HG2 GLU 43 2HG GLU 43 -0.945 5.923 7.504 317 HG3 GLU 43 3HG GLU 43 0.468 4.906 7.752 318 H ASN 44 H ASN 44 -0.780 2.612 6.137 319 HA ASN 44 HA ASN 44 1.847 1.253 6.409 320 HB2 ASN 44 2HB ASN 44 1.136 0.369 8.543 321 HB3 ASN 44 3HB ASN 44 0.945 2.114 8.599 322 HD21 ASN 44 1HD2 ASN 44 -0.191 1.227 10.508 323 HD22 ASN 44 2HD2 ASN 44 -1.931 1.262 10.242 324 H GLY 45 H GLY 45 -0.740 1.049 4.478 325 HA2 GLY 45 2HA GLY 45 -1.895 -1.497 5.144 326 HA3 GLY 45 3HA GLY 45 -2.282 -0.467 3.765 327 H TRP 46 H TRP 46 0.813 -2.005 4.492 328 HA TRP 46 HA TRP 46 1.921 -2.228 2.148 329 HB2 TRP 46 2HB TRP 46 2.827 -3.193 4.287 330 HB3 TRP 46 3HB TRP 46 1.817 -4.594 4.040 331 HD1 TRP 46 HD1 TRP 46 4.824 -2.823 2.463 332 HE1 TRP 46 HE1 TRP 46 6.169 -4.463 1.040 333 HE3 TRP 46 HE3 TRP 46 1.722 -6.884 2.728 334 HZ2 TRP 46 HZ2 TRP 46 6.037 -7.239 0.266 335 HZ3 TRP 46 HZ3 TRP 46 2.344 -9.009 1.611 336 HH2 TRP 46 HH2 TRP 46 4.494 -9.202 0.375 337 H CYS 47 H CYS 47 1.817 -3.066 0.167 338 HA CYS 47 HA CYS 47 0.239 -5.549 -0.312 339 HB2 CYS 47 2HB CYS 47 -0.553 -4.690 -2.321 340 HB3 CYS 47 3HB CYS 47 -0.504 -3.212 -1.343 341 H ARG 48 H ARG 48 0.946 -6.738 -2.235 342 HA ARG 48 HA ARG 48 3.717 -7.569 -1.828 343 HB2 ARG 48 2HB ARG 48 1.570 -8.596 -3.741 344 HB3 ARG 48 3HB ARG 48 3.096 -9.397 -3.365 345 HG2 ARG 48 2HG ARG 48 2.414 -9.725 -1.033 346 HG3 ARG 48 3HG ARG 48 0.917 -8.820 -1.297 347 HD2 ARG 48 2HD ARG 48 0.501 -11.211 -1.307 348 HD3 ARG 48 3HD ARG 48 0.108 -10.496 -2.871 349 HE ARG 48 HE ARG 48 2.598 -12.079 -2.248 350 HH11 ARG 48 1HH1 ARG 48 0.310 -11.061 -4.775 351 HH12 ARG 48 2HH1 ARG 48 1.332 -11.721 -6.010 352 HH21 ARG 48 1HH2 ARG 48 3.629 -13.039 -3.745 353 HH22 ARG 48 2HH2 ARG 48 3.074 -13.045 -5.424 354 H LEU 49 H LEU 49 2.338 -5.284 -3.927 355 HA LEU 49 HA LEU 49 4.172 -5.811 -6.191 356 HB2 LEU 49 2HB LEU 49 2.239 -3.507 -5.744 357 HB3 LEU 49 3HB LEU 49 3.126 -3.887 -7.225 358 HG LEU 49 HG LEU 49 0.925 -5.562 -5.982 359 HD11 LEU 49 1HD1 LEU 49 1.061 -4.013 -8.610 360 HD12 LEU 49 2HD1 LEU 49 -0.332 -4.929 -7.998 361 HD13 LEU 49 3HD1 LEU 49 0.212 -3.470 -7.153 362 HD21 LEU 49 1HD2 LEU 49 2.538 -6.040 -8.506 363 HD22 LEU 49 2HD2 LEU 49 2.498 -7.078 -7.059 364 HD23 LEU 49 3HD2 LEU 49 1.056 -6.918 -8.062 365 H TYR 50 H TYR 50 3.737 -3.312 -3.668 366 HA TYR 50 HA TYR 50 5.195 -2.000 -2.583 367 HB2 TYR 50 2HB TYR 50 5.816 -4.431 -2.150 368 HB3 TYR 50 3HB TYR 50 7.180 -4.202 -3.232 369 HD1 TYR 50 HD1 TYR 50 5.553 -2.506 -0.293 370 HD2 TYR 50 HD2 TYR 50 9.248 -3.681 -2.183 371 HE1 TYR 50 HE1 TYR 50 6.854 -1.636 1.666 372 HE2 TYR 50 HE2 TYR 50 10.522 -2.826 -0.233 373 HH TYR 50 HH TYR 50 10.389 -1.900 1.886 374 H ALA 51 H ALA 51 7.799 -1.423 -2.558 375 HA ALA 51 HA ALA 51 7.888 0.855 -3.899 376 HB1 ALA 51 1HB ALA 51 10.376 -0.725 -3.118 377 HB2 ALA 51 2HB ALA 51 10.241 1.046 -3.235 378 HB3 ALA 51 3HB ALA 51 9.350 0.179 -1.994 379 H GLY 52 H GLY 52 8.414 1.729 -5.803 380 HA2 GLY 52 2HA GLY 52 9.556 0.283 -8.037 381 HA3 GLY 52 3HA GLY 52 9.151 1.999 -7.973 382 H LYS 53 H LYS 53 10.579 2.355 -5.406 383 HA LYS 53 HA LYS 53 13.249 2.911 -6.155 384 HB2 LYS 53 2HB LYS 53 11.912 2.827 -3.445 385 HB3 LYS 53 3HB LYS 53 13.521 3.471 -3.765 386 HG2 LYS 53 2HG LYS 53 10.974 4.475 -5.070 387 HG3 LYS 53 3HG LYS 53 11.723 5.226 -3.660 388 HD2 LYS 53 2HD LYS 53 13.760 5.603 -5.148 389 HD3 LYS 53 3HD LYS 53 12.797 4.986 -6.504 390 HE2 LYS 53 2HE LYS 53 12.025 7.380 -4.781 391 HE3 LYS 53 3HE LYS 53 12.868 7.493 -6.328 392 HZ1 LYS 53 1HZ LYS 53 10.965 6.456 -7.402 393 HZ2 LYS 53 2HZ LYS 53 10.137 6.355 -5.972 394 HZ3 LYS 53 3HZ LYS 53 10.512 7.819 -6.602 395 H ALA 54 H ALA 54 14.719 1.616 -6.423 396 HA ALA 54 HA ALA 54 16.176 -0.115 -6.521 397 HB1 ALA 54 1HB ALA 54 15.475 -0.625 -3.609 398 HB2 ALA 54 2HB ALA 54 16.966 -1.076 -4.454 399 HB3 ALA 54 3HB ALA 54 16.589 0.630 -4.198 Start of MODEL 10 1 H1 VAL 1 1H VAL 1 -10.014 6.093 -19.770 2 H2 VAL 1 2H VAL 1 -10.781 7.550 -19.738 3 H3 VAL 1 3H VAL 1 -11.286 6.338 -18.745 4 HA VAL 1 HA VAL 1 -8.721 7.757 -18.597 5 HB VAL 1 HB VAL 1 -10.873 7.666 -16.462 6 HG11 VAL 1 1HG1 VAL 1 -8.349 9.346 -16.816 7 HG12 VAL 1 2HG1 VAL 1 -9.581 9.634 -15.578 8 HG13 VAL 1 3HG1 VAL 1 -8.660 8.141 -15.542 9 HG21 VAL 1 1HG2 VAL 1 -11.771 8.964 -18.369 10 HG22 VAL 1 2HG2 VAL 1 -11.348 10.018 -17.029 11 HG23 VAL 1 3HG2 VAL 1 -10.260 9.917 -18.426 12 H THR 2 H THR 2 -7.165 6.952 -17.280 13 HA THR 2 HA THR 2 -6.958 4.204 -16.673 14 HB THR 2 HB THR 2 -5.042 5.632 -16.980 15 HG1 THR 2 HG1 THR 2 -3.836 4.728 -15.511 16 HG21 THR 2 1HG2 THR 2 -5.823 6.985 -14.355 17 HG22 THR 2 2HG2 THR 2 -4.258 7.160 -15.177 18 HG23 THR 2 3HG2 THR 2 -5.730 7.746 -15.951 19 H LYS 3 H LYS 3 -6.729 3.116 -14.703 20 HA LYS 3 HA LYS 3 -7.794 4.199 -12.190 21 HB2 LYS 3 2HB LYS 3 -9.609 2.865 -13.583 22 HB3 LYS 3 3HB LYS 3 -8.648 1.448 -13.195 23 HG2 LYS 3 2HG LYS 3 -10.392 1.538 -11.603 24 HG3 LYS 3 3HG LYS 3 -8.944 2.058 -10.727 25 HD2 LYS 3 2HD LYS 3 -9.630 4.415 -10.951 26 HD3 LYS 3 3HD LYS 3 -10.990 3.947 -11.978 27 HE2 LYS 3 2HE LYS 3 -12.051 2.724 -10.164 28 HE3 LYS 3 3HE LYS 3 -10.644 2.935 -9.123 29 HZ1 LYS 3 1HZ LYS 3 -11.093 5.280 -9.032 30 HZ2 LYS 3 2HZ LYS 3 -12.358 5.180 -10.063 31 HZ3 LYS 3 3HZ LYS 3 -12.441 4.473 -8.581 32 H LYS 4 H LYS 4 -6.615 3.331 -10.404 33 HA LYS 4 HA LYS 4 -4.116 1.962 -11.090 34 HB2 LYS 4 2HB LYS 4 -5.281 2.901 -8.468 35 HB3 LYS 4 3HB LYS 4 -3.788 1.969 -8.525 36 HG2 LYS 4 2HG LYS 4 -3.923 4.213 -10.417 37 HG3 LYS 4 3HG LYS 4 -3.925 4.682 -8.711 38 HD2 LYS 4 2HD LYS 4 -1.727 4.870 -9.528 39 HD3 LYS 4 3HD LYS 4 -1.765 3.487 -8.419 40 HE2 LYS 4 2HE LYS 4 -1.574 1.940 -10.107 41 HE3 LYS 4 3HE LYS 4 -2.290 2.982 -11.324 42 HZ1 LYS 4 1HZ LYS 4 0.443 3.398 -10.265 43 HZ2 LYS 4 2HZ LYS 4 0.086 2.735 -11.726 44 HZ3 LYS 4 3HZ LYS 4 -0.290 4.304 -11.411 45 H ALA 5 H ALA 5 -3.325 0.186 -9.784 46 HA ALA 5 HA ALA 5 -4.914 -2.173 -10.490 47 HB1 ALA 5 1HB ALA 5 -2.349 -2.005 -8.853 48 HB2 ALA 5 2HB ALA 5 -3.043 -3.462 -9.591 49 HB3 ALA 5 3HB ALA 5 -2.431 -2.155 -10.624 50 H SER 6 H SER 6 -6.051 -3.635 -9.095 51 HA SER 6 HA SER 6 -7.137 -2.351 -6.754 52 HB2 SER 6 2HB SER 6 -8.392 -4.388 -6.354 53 HB3 SER 6 3HB SER 6 -8.509 -3.853 -8.034 54 HG SER 6 HG SER 6 -7.900 -5.753 -8.513 55 H HIS 7 H HIS 7 -7.026 -2.866 -4.596 56 HA HIS 7 HA HIS 7 -4.571 -3.617 -3.330 57 HB2 HIS 7 2HB HIS 7 -6.219 -3.934 -1.358 58 HB3 HIS 7 3HB HIS 7 -6.119 -2.327 -2.087 59 HD2 HIS 7 HD2 HIS 7 -8.307 -1.342 -3.187 60 HE1 HIS 7 HE1 HIS 7 -10.764 -4.815 -3.074 61 HE2 HIS 7 HE2 HIS 7 -10.688 -2.342 -3.689 62 H LYS 8 H LYS 8 -7.078 -5.467 -4.637 63 HA LYS 8 HA LYS 8 -6.441 -8.114 -3.558 64 HB2 LYS 8 2HB LYS 8 -8.669 -7.615 -4.190 65 HB3 LYS 8 3HB LYS 8 -8.216 -7.071 -5.785 66 HG2 LYS 8 2HG LYS 8 -7.858 -9.940 -4.853 67 HG3 LYS 8 3HG LYS 8 -9.331 -9.318 -5.612 68 HD2 LYS 8 2HD LYS 8 -7.379 -8.496 -7.395 69 HD3 LYS 8 3HD LYS 8 -6.736 -10.051 -6.835 70 HE2 LYS 8 2HE LYS 8 -8.961 -11.102 -7.391 71 HE3 LYS 8 3HE LYS 8 -9.498 -9.535 -8.018 72 HZ1 LYS 8 1HZ LYS 8 -8.693 -10.820 -9.823 73 HZ2 LYS 8 2HZ LYS 8 -7.545 -9.653 -9.564 74 HZ3 LYS 8 3HZ LYS 8 -7.284 -11.194 -9.080 75 H ASP 9 H ASP 9 -5.975 -6.719 -6.830 76 HA ASP 9 HA ASP 9 -4.246 -8.763 -7.793 77 HB2 ASP 9 2HB ASP 9 -4.987 -5.938 -8.558 78 HB3 ASP 9 3HB ASP 9 -3.527 -6.568 -9.220 79 H ALA 10 H ALA 10 -3.505 -5.784 -6.002 80 HA ALA 10 HA ALA 10 -0.630 -6.123 -6.163 81 HB1 ALA 10 1HB ALA 10 -2.341 -4.449 -4.283 82 HB2 ALA 10 2HB ALA 10 -0.615 -4.232 -4.650 83 HB3 ALA 10 3HB ALA 10 -1.822 -3.968 -5.915 84 H GLY 11 H GLY 11 -3.115 -7.323 -3.917 85 HA2 GLY 11 2HA GLY 11 -2.930 -8.871 -2.206 86 HA3 GLY 11 3HA GLY 11 -1.185 -8.983 -2.459 87 H TYR 12 H TYR 12 -3.189 -6.126 -1.750 88 HA TYR 12 HA TYR 12 -1.486 -5.242 0.453 89 HB2 TYR 12 2HB TYR 12 -2.292 -3.589 -1.082 90 HB3 TYR 12 3HB TYR 12 -3.931 -4.128 -0.932 91 HD1 TYR 12 HD1 TYR 12 -1.230 -2.240 0.718 92 HD2 TYR 12 HD2 TYR 12 -5.371 -3.463 0.927 93 HE1 TYR 12 HE1 TYR 12 -1.663 -0.518 2.441 94 HE2 TYR 12 HE2 TYR 12 -5.774 -1.771 2.705 95 HH TYR 12 HH TYR 12 -3.058 0.214 3.945 96 H GLN 13 H GLN 13 -2.205 -4.746 2.549 97 HA GLN 13 HA GLN 13 -4.440 -6.317 3.711 98 HB2 GLN 13 2HB GLN 13 -2.783 -7.038 5.530 99 HB3 GLN 13 3HB GLN 13 -2.686 -7.875 3.997 100 HG2 GLN 13 2HG GLN 13 -0.734 -6.516 3.324 101 HG3 GLN 13 3HG GLN 13 -0.844 -5.623 4.847 102 HE21 GLN 13 1HE2 GLN 13 1.281 -6.141 5.136 103 HE22 GLN 13 2HE2 GLN 13 1.600 -7.646 5.971 104 H GLU 14 H GLU 14 -5.008 -5.699 5.846 105 HA GLU 14 HA GLU 14 -4.995 -2.898 6.340 106 HB2 GLU 14 2HB GLU 14 -6.354 -3.447 8.249 107 HB3 GLU 14 3HB GLU 14 -6.801 -4.495 6.900 108 HG2 GLU 14 2HG GLU 14 -5.603 -6.380 7.864 109 HG3 GLU 14 3HG GLU 14 -4.898 -5.372 9.119 110 H SER 15 H SER 15 -2.450 -4.957 7.089 111 HA SER 15 HA SER 15 -1.336 -2.949 8.888 112 HB2 SER 15 2HB SER 15 -0.639 -4.910 10.520 113 HB3 SER 15 3HB SER 15 -2.112 -3.971 10.717 114 HG SER 15 HG SER 15 -1.937 -6.513 9.445 115 HA PRO 16 HA PRO 16 2.371 -3.524 6.817 116 HB2 PRO 16 2HB PRO 16 3.876 -3.634 9.397 117 HB3 PRO 16 3HB PRO 16 4.146 -2.603 7.982 118 HG2 PRO 16 2HG PRO 16 2.891 -1.694 10.241 119 HG3 PRO 16 3HG PRO 16 2.457 -1.117 8.605 120 HD2 PRO 16 2HD PRO 16 0.954 -2.980 10.393 121 HD3 PRO 16 3HD PRO 16 0.391 -1.875 9.121 122 H ASN 17 H ASN 17 4.094 -4.787 6.181 123 HA ASN 17 HA ASN 17 4.324 -7.588 7.187 124 HB2 ASN 17 2HB ASN 17 3.888 -7.449 4.813 125 HB3 ASN 17 3HB ASN 17 5.144 -6.232 4.602 126 HD21 ASN 17 1HD2 ASN 17 5.648 -7.946 2.874 127 HD22 ASN 17 2HD2 ASN 17 6.860 -9.108 3.345 128 H GLY 18 H GLY 18 5.264 -6.776 9.146 129 HA2 GLY 18 2HA GLY 18 7.093 -6.502 10.530 130 HA3 GLY 18 3HA GLY 18 8.040 -7.131 9.183 131 H ALA 19 H ALA 19 9.472 -5.833 8.209 132 HA ALA 19 HA ALA 19 9.863 -3.098 9.190 133 HB1 ALA 19 1HB ALA 19 11.950 -3.229 7.923 134 HB2 ALA 19 2HB ALA 19 11.739 -4.672 8.928 135 HB3 ALA 19 3HB ALA 19 11.422 -4.754 7.178 136 H LYS 20 H LYS 20 8.050 -4.399 6.544 137 HA LYS 20 HA LYS 20 8.252 -1.802 5.074 138 HB2 LYS 20 2HB LYS 20 7.185 -4.367 3.878 139 HB3 LYS 20 3HB LYS 20 7.625 -2.863 3.081 140 HG2 LYS 20 2HG LYS 20 9.556 -3.895 2.573 141 HG3 LYS 20 3HG LYS 20 10.036 -3.514 4.229 142 HD2 LYS 20 2HD LYS 20 8.844 -5.786 4.803 143 HD3 LYS 20 3HD LYS 20 8.967 -6.129 3.084 144 HE2 LYS 20 2HE LYS 20 11.319 -5.430 4.913 145 HE3 LYS 20 3HE LYS 20 10.846 -7.066 4.468 146 HZ1 LYS 20 1HZ LYS 20 11.819 -4.972 2.588 147 HZ2 LYS 20 2HZ LYS 20 12.603 -6.347 3.049 148 HZ3 LYS 20 3HZ LYS 20 11.285 -6.479 2.130 149 H ARG 21 H ARG 21 6.592 -0.574 4.835 150 HA ARG 21 HA ARG 21 3.816 -1.588 4.923 151 HB2 ARG 21 2HB ARG 21 3.035 -0.112 6.497 152 HB3 ARG 21 3HB ARG 21 4.625 -0.420 7.177 153 HG2 ARG 21 2HG ARG 21 5.434 1.708 6.029 154 HG3 ARG 21 3HG ARG 21 3.769 1.970 5.512 155 HD2 ARG 21 2HD ARG 21 3.118 1.904 7.986 156 HD3 ARG 21 3HD ARG 21 4.845 2.013 8.345 157 HE ARG 21 HE ARG 21 3.185 4.016 6.835 158 HH11 ARG 21 1HH1 ARG 21 6.156 3.523 8.819 159 HH12 ARG 21 2HH1 ARG 21 6.435 5.252 8.752 160 HH21 ARG 21 1HH2 ARG 21 3.910 6.201 6.803 161 HH22 ARG 21 2HH2 ARG 21 5.318 6.555 7.770 162 H CYS 22 H CYS 22 2.335 0.168 3.864 163 HA CYS 22 HA CYS 22 3.138 0.895 1.362 164 HB2 CYS 22 2HB CYS 22 1.006 1.991 3.265 165 HB3 CYS 22 3HB CYS 22 1.071 2.377 1.540 166 H GLY 23 H GLY 23 3.205 3.237 4.129 167 HA2 GLY 23 2HA GLY 23 4.455 5.384 2.831 168 HA3 GLY 23 3HA GLY 23 4.600 4.994 4.539 169 H THR 24 H THR 24 6.090 2.362 3.838 170 HA THR 24 HA THR 24 8.757 3.634 3.387 171 HB THR 24 HB THR 24 9.652 1.661 4.619 172 HG1 THR 24 HG1 THR 24 7.762 0.848 6.025 173 HG21 THR 24 1HG2 THR 24 9.003 2.493 6.824 174 HG22 THR 24 2HG2 THR 24 9.214 3.853 5.723 175 HG23 THR 24 3HG2 THR 24 7.578 3.308 6.145 176 H CYS 25 H CYS 25 6.652 1.188 2.098 177 HA CYS 25 HA CYS 25 8.235 0.481 -0.242 178 HB2 CYS 25 2HB CYS 25 6.084 -0.586 0.148 179 HB3 CYS 25 3HB CYS 25 5.288 0.942 0.440 180 H ARG 26 H ARG 26 6.477 3.331 0.824 181 HA ARG 26 HA ARG 26 6.493 5.513 0.268 182 HB2 ARG 26 2HB ARG 26 8.693 5.172 -1.735 183 HB3 ARG 26 3HB ARG 26 8.290 6.574 -0.755 184 HG2 ARG 26 2HG ARG 26 9.158 5.301 1.253 185 HG3 ARG 26 3HG ARG 26 9.607 3.980 0.165 186 HD2 ARG 26 2HD ARG 26 11.592 5.197 0.383 187 HD3 ARG 26 3HD ARG 26 10.966 5.555 -1.207 188 HE ARG 26 HE ARG 26 10.220 7.740 -0.491 189 HH11 ARG 26 1HH1 ARG 26 12.337 6.292 1.976 190 HH12 ARG 26 2HH1 ARG 26 12.601 7.875 2.679 191 HH21 ARG 26 1HH2 ARG 26 10.641 9.559 0.462 192 HH22 ARG 26 2HH2 ARG 26 11.774 9.636 1.835 193 H GLN 27 H GLN 27 5.642 3.141 -1.910 194 HA GLN 27 HA GLN 27 4.759 4.924 -4.047 195 HB2 GLN 27 2HB GLN 27 3.854 2.108 -3.361 196 HB3 GLN 27 3HB GLN 27 3.431 3.000 -4.826 197 HG2 GLN 27 2HG GLN 27 5.884 3.197 -5.370 198 HG3 GLN 27 3HG GLN 27 6.230 2.171 -3.978 199 HE21 GLN 27 1HE2 GLN 27 4.112 0.180 -4.372 200 HE22 GLN 27 2HE2 GLN 27 4.712 -0.744 -5.749 201 H PHE 28 H PHE 28 3.551 4.135 -0.822 202 HA PHE 28 HA PHE 28 0.913 5.077 -1.041 203 HB2 PHE 28 2HB PHE 28 1.781 4.283 1.068 204 HB3 PHE 28 3HB PHE 28 2.985 5.567 1.121 205 HD1 PHE 28 HD1 PHE 28 -0.762 5.191 0.760 206 HD2 PHE 28 HD2 PHE 28 2.501 7.408 2.509 207 HE1 PHE 28 HE1 PHE 28 -2.382 6.671 1.908 208 HE2 PHE 28 HE2 PHE 28 0.871 8.868 3.679 209 HZ PHE 28 HZ PHE 28 -1.567 8.514 3.374 210 H ARG 29 H ARG 29 -0.010 6.940 -1.419 211 HA ARG 29 HA ARG 29 1.684 9.280 -2.173 212 HB2 ARG 29 2HB ARG 29 1.126 7.721 -4.006 213 HB3 ARG 29 3HB ARG 29 -0.581 7.896 -3.672 214 HG2 ARG 29 2HG ARG 29 0.115 9.190 -5.621 215 HG3 ARG 29 3HG ARG 29 -0.517 10.231 -4.338 216 HD2 ARG 29 2HD ARG 29 1.725 10.855 -3.661 217 HD3 ARG 29 3HD ARG 29 2.455 9.662 -4.732 218 HE ARG 29 HE ARG 29 1.029 11.246 -6.484 219 HH11 ARG 29 1HH1 ARG 29 3.332 12.165 -3.983 220 HH12 ARG 29 2HH1 ARG 29 3.629 13.698 -4.783 221 HH21 ARG 29 1HH2 ARG 29 1.981 12.869 -7.641 222 HH22 ARG 29 2HH2 ARG 29 3.119 13.948 -6.870 223 HA PRO 30 HA PRO 30 -1.199 10.412 1.052 224 HB2 PRO 30 2HB PRO 30 0.252 13.060 0.843 225 HB3 PRO 30 3HB PRO 30 -0.265 12.181 2.316 226 HG2 PRO 30 2HG PRO 30 2.301 11.988 1.511 227 HG3 PRO 30 3HG PRO 30 1.427 10.505 1.995 228 HD2 PRO 30 2HD PRO 30 1.939 11.543 -0.804 229 HD3 PRO 30 3HD PRO 30 2.122 9.887 -0.154 230 HA PRO 31 HA PRO 31 -2.554 11.651 2.408 231 HB2 PRO 31 2HB PRO 31 -5.128 12.105 3.012 232 HB3 PRO 31 3HB PRO 31 -4.010 13.458 2.659 233 HG2 PRO 31 2HG PRO 31 -5.964 12.123 0.752 234 HG3 PRO 31 3HG PRO 31 -5.774 13.872 1.087 235 HD2 PRO 31 2HD PRO 31 -4.532 12.638 -1.035 236 HD3 PRO 31 3HD PRO 31 -3.783 13.993 -0.150 237 H SER 32 H SER 32 -4.459 10.209 -0.197 238 HA SER 32 HA SER 32 -4.835 7.713 1.381 239 HB2 SER 32 2HB SER 32 -7.235 7.688 0.922 240 HB3 SER 32 3HB SER 32 -6.787 9.127 1.844 241 HG SER 32 HG SER 32 -8.231 9.472 0.010 242 H SER 33 H SER 33 -3.248 8.412 -1.143 243 HA SER 33 HA SER 33 -4.516 6.441 -3.014 244 HB2 SER 33 2HB SER 33 -2.627 8.701 -3.688 245 HB3 SER 33 3HB SER 33 -3.431 7.630 -4.819 246 HG SER 33 HG SER 33 -4.526 9.530 -4.762 247 H CYS 34 H CYS 34 -2.838 5.456 -4.528 248 HA CYS 34 HA CYS 34 -0.127 5.167 -3.380 249 HB2 CYS 34 2HB CYS 34 -1.215 3.292 -2.392 250 HB3 CYS 34 3HB CYS 34 -2.044 2.878 -3.882 251 H ILE 35 H ILE 35 1.443 4.707 -4.890 252 HA ILE 35 HA ILE 35 0.861 5.449 -7.674 253 HB ILE 35 HB ILE 35 3.327 5.108 -5.991 254 HG12 ILE 35 2HG1 ILE 35 2.424 7.344 -7.860 255 HG13 ILE 35 3HG1 ILE 35 1.871 7.221 -6.195 256 HG21 ILE 35 1HG2 ILE 35 3.424 5.352 -9.024 257 HG22 ILE 35 2HG2 ILE 35 4.799 5.559 -7.924 258 HG23 ILE 35 3HG2 ILE 35 4.036 3.990 -8.049 259 HD11 ILE 35 1HD1 ILE 35 3.717 8.811 -6.389 260 HD12 ILE 35 2HD1 ILE 35 4.151 7.439 -5.351 261 HD13 ILE 35 3HD1 ILE 35 4.787 7.558 -7.012 262 H THR 36 H THR 36 0.859 2.490 -6.000 263 HA THR 36 HA THR 36 0.702 1.126 -8.685 264 HB THR 36 HB THR 36 1.308 -0.139 -6.004 265 HG1 THR 36 HG1 THR 36 3.225 0.268 -6.614 266 HG21 THR 36 1HG2 THR 36 1.666 -2.190 -7.337 267 HG22 THR 36 2HG2 THR 36 -0.024 -1.688 -7.375 268 HG23 THR 36 3HG2 THR 36 1.021 -1.372 -8.781 269 H VAL 37 H VAL 37 -0.868 1.511 -5.476 270 HA VAL 37 HA VAL 37 -3.057 -0.173 -6.447 271 HB VAL 37 HB VAL 37 -2.332 0.636 -3.622 272 HG11 VAL 37 1HG1 VAL 37 -4.165 -1.548 -4.683 273 HG12 VAL 37 2HG1 VAL 37 -3.631 -1.388 -2.989 274 HG13 VAL 37 3HG1 VAL 37 -4.654 -0.146 -3.689 275 HG21 VAL 37 1HG2 VAL 37 -0.503 -0.639 -4.508 276 HG22 VAL 37 2HG2 VAL 37 -1.462 -1.772 -3.578 277 HG23 VAL 37 3HG2 VAL 37 -1.602 -1.757 -5.350 278 H GLU 38 H GLU 38 -5.230 0.165 -6.080 279 HA GLU 38 HA GLU 38 -6.544 2.549 -6.619 280 HB2 GLU 38 2HB GLU 38 -7.313 0.135 -4.957 281 HB3 GLU 38 3HB GLU 38 -8.453 1.452 -5.193 282 HG2 GLU 38 2HG GLU 38 -7.172 0.061 -7.560 283 HG3 GLU 38 3HG GLU 38 -8.588 -0.544 -6.699 284 H SER 39 H SER 39 -7.747 3.960 -5.529 285 HA SER 39 HA SER 39 -7.024 4.592 -2.704 286 HB2 SER 39 2HB SER 39 -7.865 6.893 -3.140 287 HB3 SER 39 3HB SER 39 -6.427 6.470 -4.076 288 HG SER 39 HG SER 39 -8.532 7.504 -5.067 289 HA PRO 40 HA PRO 40 -8.135 5.950 -1.063 290 HB2 PRO 40 2HB PRO 40 -9.460 5.538 1.265 291 HB3 PRO 40 3HB PRO 40 -10.000 6.699 0.016 292 HG2 PRO 40 2HG PRO 40 -10.998 3.879 0.474 293 HG3 PRO 40 3HG PRO 40 -11.957 5.356 0.224 294 HD2 PRO 40 2HD PRO 40 -11.363 3.584 -1.794 295 HD3 PRO 40 3HD PRO 40 -11.538 5.338 -2.084 296 H ILE 41 H ILE 41 -6.427 5.326 0.225 297 HA ILE 41 HA ILE 41 -6.263 2.567 1.325 298 HB ILE 41 HB ILE 41 -5.187 2.904 -1.001 299 HG12 ILE 41 2HG1 ILE 41 -3.408 1.723 1.170 300 HG13 ILE 41 3HG1 ILE 41 -4.809 0.922 0.449 301 HG21 ILE 41 1HG2 ILE 41 -3.017 3.867 -1.150 302 HG22 ILE 41 2HG2 ILE 41 -4.031 5.066 -0.357 303 HG23 ILE 41 3HG2 ILE 41 -2.897 4.100 0.602 304 HD11 ILE 41 1HD1 ILE 41 -2.235 1.660 -0.938 305 HD12 ILE 41 2HD1 ILE 41 -2.956 0.061 -0.680 306 HD13 ILE 41 3HD1 ILE 41 -3.722 1.195 -1.806 307 H SER 42 H SER 42 -4.347 2.339 2.803 308 HA SER 42 HA SER 42 -4.142 4.676 4.635 309 HB2 SER 42 2HB SER 42 -4.841 2.372 5.451 310 HB3 SER 42 3HB SER 42 -3.246 1.826 5.027 311 HG SER 42 HG SER 42 -3.658 2.577 7.280 312 H GLU 43 H GLU 43 -2.083 5.128 5.617 313 HA GLU 43 HA GLU 43 0.297 4.940 3.899 314 HB2 GLU 43 2HB GLU 43 1.386 6.123 5.734 315 HB3 GLU 43 3HB GLU 43 -0.173 6.907 5.452 316 HG2 GLU 43 2HG GLU 43 -1.176 5.611 7.334 317 HG3 GLU 43 3HG GLU 43 0.412 4.929 7.659 318 H ASN 44 H ASN 44 -1.224 2.777 6.024 319 HA ASN 44 HA ASN 44 1.297 1.217 6.211 320 HB2 ASN 44 2HB ASN 44 0.906 0.571 8.390 321 HB3 ASN 44 3HB ASN 44 0.267 2.204 8.419 322 HD21 ASN 44 1HD2 ASN 44 -1.580 2.457 9.409 323 HD22 ASN 44 2HD2 ASN 44 -2.728 1.140 9.635 324 H GLY 45 H GLY 45 1.071 -1.123 6.173 325 HA2 GLY 45 2HA GLY 45 -0.871 -2.811 5.621 326 HA3 GLY 45 3HA GLY 45 -0.948 -1.902 4.131 327 H TRP 46 H TRP 46 1.153 -1.639 2.979 328 HA TRP 46 HA TRP 46 2.813 -2.573 1.770 329 HB2 TRP 46 2HB TRP 46 3.984 -3.458 3.751 330 HB3 TRP 46 3HB TRP 46 2.971 -4.881 3.698 331 HD1 TRP 46 HD1 TRP 46 5.728 -3.226 1.633 332 HE1 TRP 46 HE1 TRP 46 6.831 -5.023 0.189 333 HE3 TRP 46 HE3 TRP 46 2.549 -7.123 2.603 334 HZ2 TRP 46 HZ2 TRP 46 6.539 -7.861 -0.297 335 HZ3 TRP 46 HZ3 TRP 46 2.981 -9.366 1.613 336 HH2 TRP 46 HH2 TRP 46 4.969 -9.747 0.177 337 H CYS 47 H CYS 47 2.734 -3.833 -0.061 338 HA CYS 47 HA CYS 47 0.833 -6.072 -0.207 339 HB2 CYS 47 2HB CYS 47 -0.246 -5.259 -2.164 340 HB3 CYS 47 3HB CYS 47 -0.145 -3.828 -1.115 341 H ARG 48 H ARG 48 1.239 -7.300 -2.347 342 HA ARG 48 HA ARG 48 4.059 -7.940 -2.169 343 HB2 ARG 48 2HB ARG 48 1.956 -9.217 -3.987 344 HB3 ARG 48 3HB ARG 48 3.523 -9.905 -3.566 345 HG2 ARG 48 2HG ARG 48 2.783 -10.137 -1.193 346 HG3 ARG 48 3HG ARG 48 1.215 -9.435 -1.623 347 HD2 ARG 48 2HD ARG 48 0.906 -11.796 -1.586 348 HD3 ARG 48 3HD ARG 48 0.879 -11.289 -3.282 349 HE ARG 48 HE ARG 48 3.544 -12.057 -2.459 350 HH11 ARG 48 1HH1 ARG 48 0.473 -13.651 -3.335 351 HH12 ARG 48 2HH1 ARG 48 1.361 -15.143 -3.658 352 HH21 ARG 48 1HH2 ARG 48 4.455 -14.008 -3.134 353 HH22 ARG 48 2HH2 ARG 48 3.362 -15.296 -3.625 354 H LEU 49 H LEU 49 2.575 -5.692 -4.000 355 HA LEU 49 HA LEU 49 4.597 -5.854 -6.175 356 HB2 LEU 49 2HB LEU 49 1.892 -6.037 -6.520 357 HB3 LEU 49 3HB LEU 49 2.083 -4.296 -6.587 358 HG LEU 49 HG LEU 49 3.910 -4.724 -8.375 359 HD11 LEU 49 1HD1 LEU 49 2.636 -7.497 -8.364 360 HD12 LEU 49 2HD1 LEU 49 3.822 -6.880 -9.535 361 HD13 LEU 49 3HD1 LEU 49 4.301 -7.135 -7.859 362 HD21 LEU 49 1HD2 LEU 49 1.634 -3.985 -8.988 363 HD22 LEU 49 2HD2 LEU 49 2.260 -5.141 -10.171 364 HD23 LEU 49 3HD2 LEU 49 1.068 -5.667 -8.961 365 H TYR 50 H TYR 50 4.648 -4.581 -3.443 366 HA TYR 50 HA TYR 50 4.896 -1.817 -3.598 367 HB2 TYR 50 2HB TYR 50 5.813 -1.944 -1.547 368 HB3 TYR 50 3HB TYR 50 4.973 -3.445 -1.598 369 HD1 TYR 50 HD1 TYR 50 6.520 -5.542 -2.425 370 HD2 TYR 50 HD2 TYR 50 7.974 -1.842 -0.752 371 HE1 TYR 50 HE1 TYR 50 8.621 -6.681 -1.689 372 HE2 TYR 50 HE2 TYR 50 10.054 -2.979 -0.023 373 HH TYR 50 HH TYR 50 11.254 -4.888 -0.032 374 H ALA 51 H ALA 51 7.048 -0.600 -3.243 375 HA ALA 51 HA ALA 51 8.573 -0.616 -5.632 376 HB1 ALA 51 1HB ALA 51 9.193 0.611 -2.922 377 HB2 ALA 51 2HB ALA 51 9.939 1.066 -4.465 378 HB3 ALA 51 3HB ALA 51 8.223 1.348 -4.214 379 H GLY 52 H GLY 52 10.978 -0.699 -5.809 380 HA2 GLY 52 2HA GLY 52 12.404 -2.913 -4.726 381 HA3 GLY 52 3HA GLY 52 13.096 -1.466 -5.456 382 H LYS 53 H LYS 53 11.527 0.108 -3.313 383 HA LYS 53 HA LYS 53 13.531 0.779 -1.528 384 HB2 LYS 53 2HB LYS 53 10.543 1.120 -1.194 385 HB3 LYS 53 3HB LYS 53 11.771 1.987 -0.291 386 HG2 LYS 53 2HG LYS 53 11.580 2.094 -3.303 387 HG3 LYS 53 3HG LYS 53 10.744 3.234 -2.235 388 HD2 LYS 53 2HD LYS 53 12.976 3.919 -1.330 389 HD3 LYS 53 3HD LYS 53 13.738 2.804 -2.484 390 HE2 LYS 53 2HE LYS 53 12.643 4.024 -4.370 391 HE3 LYS 53 3HE LYS 53 11.931 5.162 -3.226 392 HZ1 LYS 53 1HZ LYS 53 14.002 6.024 -4.196 393 HZ2 LYS 53 2HZ LYS 53 14.160 5.818 -2.571 394 HZ3 LYS 53 3HZ LYS 53 14.836 4.736 -3.611 395 H ALA 54 H ALA 54 14.433 -0.987 -0.568 396 HA ALA 54 HA ALA 54 14.804 -2.735 0.869 397 HB1 ALA 54 1HB ALA 54 13.521 -0.647 2.666 398 HB2 ALA 54 2HB ALA 54 14.700 -1.877 3.156 399 HB3 ALA 54 3HB ALA 54 15.177 -0.602 2.036 Start of MODEL 11 1 H1 VAL 1 1H VAL 1 -10.994 9.342 -17.355 2 H2 VAL 1 2H VAL 1 -11.343 8.616 -15.934 3 H3 VAL 1 3H VAL 1 -11.269 7.727 -17.311 4 HA VAL 1 HA VAL 1 -8.891 8.483 -17.519 5 HB VAL 1 HB VAL 1 -9.210 10.258 -15.762 6 HG11 VAL 1 1HG1 VAL 1 -10.316 8.839 -14.010 7 HG12 VAL 1 2HG1 VAL 1 -8.767 8.017 -13.750 8 HG13 VAL 1 3HG1 VAL 1 -8.917 9.752 -13.429 9 HG21 VAL 1 1HG2 VAL 1 -6.835 8.423 -15.264 10 HG22 VAL 1 2HG2 VAL 1 -6.977 9.589 -16.604 11 HG23 VAL 1 3HG2 VAL 1 -6.957 10.153 -14.930 12 H THR 2 H THR 2 -7.336 6.957 -17.212 13 HA THR 2 HA THR 2 -8.019 4.285 -16.885 14 HB THR 2 HB THR 2 -5.229 5.360 -16.350 15 HG1 THR 2 HG1 THR 2 -4.986 5.331 -18.632 16 HG21 THR 2 1HG2 THR 2 -6.254 2.915 -17.863 17 HG22 THR 2 2HG2 THR 2 -4.549 3.380 -17.681 18 HG23 THR 2 3HG2 THR 2 -5.479 2.903 -16.260 19 H LYS 3 H LYS 3 -7.928 2.769 -15.243 20 HA LYS 3 HA LYS 3 -7.711 3.795 -12.459 21 HB2 LYS 3 2HB LYS 3 -9.715 2.529 -13.405 22 HB3 LYS 3 3HB LYS 3 -8.691 1.087 -13.414 23 HG2 LYS 3 2HG LYS 3 -8.390 1.313 -10.935 24 HG3 LYS 3 3HG LYS 3 -9.395 2.782 -10.970 25 HD2 LYS 3 2HD LYS 3 -11.229 1.390 -12.014 26 HD3 LYS 3 3HD LYS 3 -10.239 -0.051 -11.728 27 HE2 LYS 3 2HE LYS 3 -10.274 0.414 -9.292 28 HE3 LYS 3 3HE LYS 3 -11.192 1.901 -9.583 29 HZ1 LYS 3 1HZ LYS 3 -12.089 -0.869 -10.109 30 HZ2 LYS 3 2HZ LYS 3 -12.702 0.190 -8.997 31 HZ3 LYS 3 3HZ LYS 3 -12.929 0.473 -10.607 32 H LYS 4 H LYS 4 -6.374 2.935 -10.911 33 HA LYS 4 HA LYS 4 -3.866 1.722 -11.619 34 HB2 LYS 4 2HB LYS 4 -5.300 2.094 -8.977 35 HB3 LYS 4 3HB LYS 4 -3.668 1.438 -9.048 36 HG2 LYS 4 2HG LYS 4 -4.377 3.976 -10.362 37 HG3 LYS 4 3HG LYS 4 -3.953 3.952 -8.642 38 HD2 LYS 4 2HD LYS 4 -1.689 3.097 -9.328 39 HD3 LYS 4 3HD LYS 4 -2.189 3.246 -11.042 40 HE2 LYS 4 2HE LYS 4 -2.897 5.637 -10.455 41 HE3 LYS 4 3HE LYS 4 -2.031 5.438 -8.929 42 HZ1 LYS 4 1HZ LYS 4 -0.896 5.534 -11.670 43 HZ2 LYS 4 2HZ LYS 4 -0.551 6.497 -10.412 44 HZ3 LYS 4 3HZ LYS 4 -0.030 4.925 -10.403 45 H ALA 5 H ALA 5 -3.243 -0.043 -10.051 46 HA ALA 5 HA ALA 5 -4.602 -2.637 -10.668 47 HB1 ALA 5 1HB ALA 5 -2.097 -2.514 -10.457 48 HB2 ALA 5 2HB ALA 5 -2.301 -2.095 -8.742 49 HB3 ALA 5 3HB ALA 5 -2.853 -3.671 -9.338 50 H SER 6 H SER 6 -5.883 -3.859 -9.051 51 HA SER 6 HA SER 6 -6.981 -2.061 -6.995 52 HB2 SER 6 2HB SER 6 -8.617 -3.612 -6.484 53 HB3 SER 6 3HB SER 6 -8.471 -3.576 -8.238 54 HG SER 6 HG SER 6 -8.640 -5.683 -7.513 55 H HIS 7 H HIS 7 -6.937 -2.380 -4.785 56 HA HIS 7 HA HIS 7 -4.463 -3.286 -3.587 57 HB2 HIS 7 2HB HIS 7 -6.142 -3.184 -1.469 58 HB3 HIS 7 3HB HIS 7 -5.409 -1.771 -2.200 59 HD2 HIS 7 HD2 HIS 7 -6.952 -0.026 -3.480 60 HE1 HIS 7 HE1 HIS 7 -10.705 -1.928 -2.791 61 HE2 HIS 7 HE2 HIS 7 -9.572 0.170 -3.689 62 H LYS 8 H LYS 8 -7.403 -4.820 -4.297 63 HA LYS 8 HA LYS 8 -7.137 -7.297 -2.838 64 HB2 LYS 8 2HB LYS 8 -8.577 -6.962 -5.502 65 HB3 LYS 8 3HB LYS 8 -8.890 -8.115 -4.239 66 HG2 LYS 8 2HG LYS 8 -9.487 -5.123 -4.245 67 HG3 LYS 8 3HG LYS 8 -10.611 -6.473 -4.310 68 HD2 LYS 8 2HD LYS 8 -9.608 -7.114 -1.969 69 HD3 LYS 8 3HD LYS 8 -8.997 -5.466 -1.933 70 HE2 LYS 8 2HE LYS 8 -11.091 -4.502 -1.754 71 HE3 LYS 8 3HE LYS 8 -11.858 -5.745 -2.754 72 HZ1 LYS 8 1HZ LYS 8 -11.101 -6.113 0.084 73 HZ2 LYS 8 2HZ LYS 8 -12.624 -5.973 -0.521 74 HZ3 LYS 8 3HZ LYS 8 -11.726 -7.279 -0.912 75 H ASP 9 H ASP 9 -6.678 -6.702 -6.331 76 HA ASP 9 HA ASP 9 -5.310 -9.114 -6.925 77 HB2 ASP 9 2HB ASP 9 -5.649 -6.389 -8.219 78 HB3 ASP 9 3HB ASP 9 -4.569 -7.530 -8.913 79 H ALA 10 H ALA 10 -4.003 -6.030 -5.731 80 HA ALA 10 HA ALA 10 -1.231 -6.855 -6.076 81 HB1 ALA 10 1HB ALA 10 -0.768 -4.749 -4.871 82 HB2 ALA 10 2HB ALA 10 -1.948 -4.499 -6.173 83 HB3 ALA 10 3HB ALA 10 -2.492 -4.583 -4.481 84 H GLY 11 H GLY 11 -3.577 -7.837 -3.803 85 HA2 GLY 11 2HA GLY 11 -3.401 -9.117 -1.901 86 HA3 GLY 11 3HA GLY 11 -1.657 -9.245 -2.173 87 H TYR 12 H TYR 12 -3.301 -6.120 -1.764 88 HA TYR 12 HA TYR 12 -1.551 -5.322 0.377 89 HB2 TYR 12 2HB TYR 12 -2.230 -3.583 -1.010 90 HB3 TYR 12 3HB TYR 12 -3.870 -4.056 -1.034 91 HD1 TYR 12 HD1 TYR 12 -5.402 -3.658 0.911 92 HD2 TYR 12 HD2 TYR 12 -1.457 -1.932 0.575 93 HE1 TYR 12 HE1 TYR 12 -6.080 -1.802 2.425 94 HE2 TYR 12 HE2 TYR 12 -2.154 -0.075 2.060 95 HH TYR 12 HH TYR 12 -5.449 0.103 3.463 96 H GLN 13 H GLN 13 -1.698 -5.492 2.439 97 HA GLN 13 HA GLN 13 -3.984 -6.965 3.657 98 HB2 GLN 13 2HB GLN 13 -2.206 -7.465 5.458 99 HB3 GLN 13 3HB GLN 13 -2.212 -8.341 3.941 100 HG2 GLN 13 2HG GLN 13 -0.334 -6.968 3.093 101 HG3 GLN 13 3HG GLN 13 -0.315 -6.061 4.619 102 HE21 GLN 13 1HE2 GLN 13 1.636 -6.562 5.344 103 HE22 GLN 13 2HE2 GLN 13 1.979 -8.173 5.907 104 H GLU 14 H GLU 14 -4.438 -6.502 5.982 105 HA GLU 14 HA GLU 14 -4.864 -3.613 6.228 106 HB2 GLU 14 2HB GLU 14 -6.222 -4.108 8.097 107 HB3 GLU 14 3HB GLU 14 -6.574 -5.318 6.868 108 HG2 GLU 14 2HG GLU 14 -5.331 -6.994 8.035 109 HG3 GLU 14 3HG GLU 14 -4.578 -5.823 9.085 110 H SER 15 H SER 15 -2.230 -5.547 7.103 111 HA SER 15 HA SER 15 -1.199 -3.437 8.852 112 HB2 SER 15 2HB SER 15 -0.326 -5.895 10.056 113 HB3 SER 15 3HB SER 15 -1.142 -4.516 10.775 114 HG SER 15 HG SER 15 -2.409 -6.716 9.477 115 HA PRO 16 HA PRO 16 2.515 -3.791 6.621 116 HB2 PRO 16 2HB PRO 16 3.929 -3.734 9.302 117 HB3 PRO 16 3HB PRO 16 4.294 -2.783 7.838 118 HG2 PRO 16 2HG PRO 16 2.898 -1.619 9.809 119 HG3 PRO 16 3HG PRO 16 2.279 -1.460 8.131 120 HD2 PRO 16 2HD PRO 16 1.390 -3.421 10.260 121 HD3 PRO 16 3HD PRO 16 0.420 -2.353 9.206 122 H ASN 17 H ASN 17 4.524 -4.971 6.169 123 HA ASN 17 HA ASN 17 4.576 -7.785 7.225 124 HB2 ASN 17 2HB ASN 17 4.160 -7.708 4.855 125 HB3 ASN 17 3HB ASN 17 5.485 -6.601 4.589 126 HD21 ASN 17 1HD2 ASN 17 5.586 -8.728 3.027 127 HD22 ASN 17 2HD2 ASN 17 6.722 -9.940 3.645 128 H GLY 18 H GLY 18 5.764 -7.574 9.053 129 HA2 GLY 18 2HA GLY 18 7.504 -7.085 10.471 130 HA3 GLY 18 3HA GLY 18 8.562 -7.311 9.075 131 H ALA 19 H ALA 19 9.666 -5.568 8.380 132 HA ALA 19 HA ALA 19 9.125 -2.911 9.523 133 HB1 ALA 19 1HB ALA 19 11.347 -3.892 7.683 134 HB2 ALA 19 2HB ALA 19 11.307 -2.347 8.557 135 HB3 ALA 19 3HB ALA 19 11.413 -3.867 9.463 136 H LYS 20 H LYS 20 8.262 -4.501 6.512 137 HA LYS 20 HA LYS 20 8.375 -2.012 4.936 138 HB2 LYS 20 2HB LYS 20 7.379 -4.763 4.173 139 HB3 LYS 20 3HB LYS 20 7.695 -3.431 3.082 140 HG2 LYS 20 2HG LYS 20 9.886 -3.932 2.901 141 HG3 LYS 20 3HG LYS 20 10.111 -3.942 4.649 142 HD2 LYS 20 2HD LYS 20 8.986 -6.218 4.666 143 HD3 LYS 20 3HD LYS 20 9.060 -6.203 2.924 144 HE2 LYS 20 2HE LYS 20 11.532 -5.921 2.995 145 HE3 LYS 20 3HE LYS 20 11.495 -5.931 4.765 146 HZ1 LYS 20 1HZ LYS 20 12.042 -8.126 3.744 147 HZ2 LYS 20 2HZ LYS 20 10.699 -8.192 4.702 148 HZ3 LYS 20 3HZ LYS 20 10.531 -8.193 3.095 149 H ARG 21 H ARG 21 6.778 -0.754 4.489 150 HA ARG 21 HA ARG 21 3.916 -1.382 4.960 151 HB2 ARG 21 2HB ARG 21 4.067 -0.662 7.024 152 HB3 ARG 21 3HB ARG 21 5.683 -0.013 6.863 153 HG2 ARG 21 2HG ARG 21 4.815 2.139 6.118 154 HG3 ARG 21 3HG ARG 21 3.168 1.485 6.071 155 HD2 ARG 21 2HD ARG 21 3.515 0.882 8.565 156 HD3 ARG 21 3HD ARG 21 4.983 1.867 8.496 157 HE ARG 21 HE ARG 21 2.771 3.420 7.542 158 HH11 ARG 21 1HH1 ARG 21 3.898 1.987 10.576 159 HH12 ARG 21 2HH1 ARG 21 2.894 3.046 11.541 160 HH21 ARG 21 1HH2 ARG 21 1.869 5.031 8.987 161 HH22 ARG 21 2HH2 ARG 21 1.914 4.714 10.690 162 H CYS 22 H CYS 22 2.487 0.147 3.996 163 HA CYS 22 HA CYS 22 3.189 1.133 1.494 164 HB2 CYS 22 2HB CYS 22 1.010 1.876 3.495 165 HB3 CYS 22 3HB CYS 22 1.074 2.573 1.870 166 H GLY 23 H GLY 23 2.860 3.126 4.452 167 HA2 GLY 23 2HA GLY 23 3.771 5.568 3.460 168 HA3 GLY 23 3HA GLY 23 3.801 4.997 5.125 169 H THR 24 H THR 24 5.818 2.826 3.850 170 HA THR 24 HA THR 24 8.240 4.549 3.601 171 HB THR 24 HB THR 24 8.272 3.386 5.727 172 HG1 THR 24 HG1 THR 24 10.307 2.730 5.554 173 HG21 THR 24 1HG2 THR 24 8.801 0.944 5.716 174 HG22 THR 24 2HG2 THR 24 7.136 1.349 5.287 175 HG23 THR 24 3HG2 THR 24 8.299 0.888 4.013 176 H CYS 25 H CYS 25 6.275 2.173 2.094 177 HA CYS 25 HA CYS 25 7.957 1.034 0.097 178 HB2 CYS 25 2HB CYS 25 5.549 0.441 0.633 179 HB3 CYS 25 3HB CYS 25 5.042 1.986 -0.020 180 H ARG 26 H ARG 26 6.567 4.217 0.415 181 HA ARG 26 HA ARG 26 6.671 6.148 -0.749 182 HB2 ARG 26 2HB ARG 26 8.932 5.327 -2.514 183 HB3 ARG 26 3HB ARG 26 8.560 6.873 -1.767 184 HG2 ARG 26 2HG ARG 26 9.117 5.745 0.488 185 HG3 ARG 26 3HG ARG 26 9.707 4.379 -0.447 186 HD2 ARG 26 2HD ARG 26 11.618 5.634 0.068 187 HD3 ARG 26 3HD ARG 26 11.307 5.822 -1.648 188 HE ARG 26 HE ARG 26 10.798 8.074 -1.399 189 HH11 ARG 26 1HH1 ARG 26 11.230 6.748 1.859 190 HH12 ARG 26 2HH1 ARG 26 11.233 8.385 2.512 191 HH21 ARG 26 1HH2 ARG 26 10.877 9.986 -0.443 192 HH22 ARG 26 2HH2 ARG 26 11.113 10.112 1.302 193 H GLN 27 H GLN 27 5.825 3.278 -2.299 194 HA GLN 27 HA GLN 27 4.623 4.635 -4.602 195 HB2 GLN 27 2HB GLN 27 3.786 2.089 -3.179 196 HB3 GLN 27 3HB GLN 27 3.191 2.655 -4.740 197 HG2 GLN 27 2HG GLN 27 6.031 1.748 -4.115 198 HG3 GLN 27 3HG GLN 27 4.824 0.866 -5.038 199 HE21 GLN 27 1HE2 GLN 27 4.167 1.792 -7.180 200 HE22 GLN 27 2HE2 GLN 27 5.329 2.800 -8.030 201 H PHE 28 H PHE 28 3.834 4.277 -1.124 202 HA PHE 28 HA PHE 28 1.192 5.223 -1.271 203 HB2 PHE 28 2HB PHE 28 2.097 4.293 0.750 204 HB3 PHE 28 3HB PHE 28 3.240 5.635 0.922 205 HD1 PHE 28 HD1 PHE 28 -0.403 4.764 0.847 206 HD2 PHE 28 HD2 PHE 28 2.561 7.678 2.000 207 HE1 PHE 28 HE1 PHE 28 -2.154 6.093 2.010 208 HE2 PHE 28 HE2 PHE 28 0.811 8.992 3.158 209 HZ PHE 28 HZ PHE 28 -1.545 8.207 3.162 210 H ARG 29 H ARG 29 0.224 7.051 -1.418 211 HA ARG 29 HA ARG 29 1.734 9.509 -2.172 212 HB2 ARG 29 2HB ARG 29 1.269 8.041 -4.068 213 HB3 ARG 29 3HB ARG 29 -0.422 7.925 -3.630 214 HG2 ARG 29 2HG ARG 29 -0.208 9.403 -5.498 215 HG3 ARG 29 3HG ARG 29 -0.714 10.314 -4.072 216 HD2 ARG 29 2HD ARG 29 1.713 10.973 -3.739 217 HD3 ARG 29 3HD ARG 29 2.106 10.124 -5.230 218 HE ARG 29 HE ARG 29 0.025 12.248 -5.375 219 HH11 ARG 29 1HH1 ARG 29 3.284 11.266 -6.388 220 HH12 ARG 29 2HH1 ARG 29 3.434 12.729 -7.345 221 HH21 ARG 29 1HH2 ARG 29 0.515 14.129 -6.426 222 HH22 ARG 29 2HH2 ARG 29 1.924 14.180 -7.478 223 HA PRO 30 HA PRO 30 -1.286 10.272 1.123 224 HB2 PRO 30 2HB PRO 30 -0.381 12.740 2.018 225 HB3 PRO 30 3HB PRO 30 0.356 11.169 2.441 226 HG2 PRO 30 2HG PRO 30 1.170 13.087 0.234 227 HG3 PRO 30 3HG PRO 30 2.220 12.308 1.462 228 HD2 PRO 30 2HD PRO 30 2.002 11.283 -1.015 229 HD3 PRO 30 3HD PRO 30 2.025 10.181 0.395 230 HA PRO 31 HA PRO 31 -2.551 11.649 2.671 231 HB2 PRO 31 2HB PRO 31 -5.181 11.993 3.202 232 HB3 PRO 31 3HB PRO 31 -4.052 13.370 3.041 233 HG2 PRO 31 2HG PRO 31 -5.900 12.241 0.910 234 HG3 PRO 31 3HG PRO 31 -5.730 13.949 1.431 235 HD2 PRO 31 2HD PRO 31 -4.396 12.969 -0.739 236 HD3 PRO 31 3HD PRO 31 -3.647 14.171 0.347 237 H SER 32 H SER 32 -4.432 10.262 -0.035 238 HA SER 32 HA SER 32 -4.311 7.616 1.214 239 HB2 SER 32 2HB SER 32 -6.289 8.698 2.312 240 HB3 SER 32 3HB SER 32 -7.047 8.811 0.716 241 HG SER 32 HG SER 32 -6.141 6.424 1.993 242 H SER 33 H SER 33 -2.970 7.856 -0.883 243 HA SER 33 HA SER 33 -4.427 6.292 -2.908 244 HB2 SER 33 2HB SER 33 -2.632 8.623 -3.704 245 HB3 SER 33 3HB SER 33 -3.403 7.475 -4.795 246 HG SER 33 HG SER 33 -4.632 9.427 -3.160 247 H CYS 34 H CYS 34 -2.913 5.165 -4.353 248 HA CYS 34 HA CYS 34 -0.073 5.100 -3.458 249 HB2 CYS 34 2HB CYS 34 -1.083 3.118 -2.514 250 HB3 CYS 34 3HB CYS 34 -1.846 2.714 -4.046 251 H ILE 35 H ILE 35 1.403 4.494 -5.117 252 HA ILE 35 HA ILE 35 0.645 5.598 -7.751 253 HB ILE 35 HB ILE 35 3.292 4.780 -6.537 254 HG12 ILE 35 2HG1 ILE 35 2.333 6.882 -5.682 255 HG13 ILE 35 3HG1 ILE 35 3.808 7.143 -6.569 256 HG21 ILE 35 1HG2 ILE 35 2.796 5.829 -9.356 257 HG22 ILE 35 2HG2 ILE 35 4.378 5.784 -8.554 258 HG23 ILE 35 3HG2 ILE 35 3.531 4.285 -8.893 259 HD11 ILE 35 1HD1 ILE 35 0.977 7.717 -7.567 260 HD12 ILE 35 2HD1 ILE 35 2.192 8.897 -7.084 261 HD13 ILE 35 3HD1 ILE 35 2.457 7.937 -8.536 262 H THR 36 H THR 36 1.360 2.388 -6.408 263 HA THR 36 HA THR 36 0.978 1.265 -9.160 264 HB THR 36 HB THR 36 1.638 -0.279 -6.631 265 HG1 THR 36 HG1 THR 36 3.679 -0.446 -7.831 266 HG21 THR 36 1HG2 THR 36 1.568 -0.972 -9.615 267 HG22 THR 36 2HG2 THR 36 2.320 -1.989 -8.382 268 HG23 THR 36 3HG2 THR 36 0.579 -1.699 -8.326 269 H VAL 37 H VAL 37 -0.525 1.401 -5.948 270 HA VAL 37 HA VAL 37 -2.760 -0.304 -6.846 271 HB VAL 37 HB VAL 37 -1.793 0.521 -4.083 272 HG11 VAL 37 1HG1 VAL 37 -3.943 -1.446 -4.901 273 HG12 VAL 37 2HG1 VAL 37 -3.229 -1.319 -3.267 274 HG13 VAL 37 3HG1 VAL 37 -4.156 0.027 -3.910 275 HG21 VAL 37 1HG2 VAL 37 -0.204 -0.984 -5.165 276 HG22 VAL 37 2HG2 VAL 37 -1.094 -1.877 -3.952 277 HG23 VAL 37 3HG2 VAL 37 -1.522 -2.071 -5.669 278 H GLU 38 H GLU 38 -4.911 0.166 -6.439 279 HA GLU 38 HA GLU 38 -6.030 2.663 -6.958 280 HB2 GLU 38 2HB GLU 38 -6.909 0.019 -5.953 281 HB3 GLU 38 3HB GLU 38 -7.927 1.307 -5.387 282 HG2 GLU 38 2HG GLU 38 -7.253 0.922 -8.315 283 HG3 GLU 38 3HG GLU 38 -8.643 0.182 -7.528 284 H SER 39 H SER 39 -7.541 3.890 -5.726 285 HA SER 39 HA SER 39 -6.759 4.433 -2.903 286 HB2 SER 39 2HB SER 39 -7.621 6.773 -3.378 287 HB3 SER 39 3HB SER 39 -6.115 6.325 -4.197 288 HG SER 39 HG SER 39 -7.712 7.397 -5.528 289 HA PRO 40 HA PRO 40 -7.892 5.850 -1.184 290 HB2 PRO 40 2HB PRO 40 -9.144 5.239 1.144 291 HB3 PRO 40 3HB PRO 40 -9.800 6.428 -0.020 292 HG2 PRO 40 2HG PRO 40 -10.549 3.496 0.258 293 HG3 PRO 40 3HG PRO 40 -11.647 4.914 0.195 294 HD2 PRO 40 2HD PRO 40 -11.074 3.432 -2.023 295 HD3 PRO 40 3HD PRO 40 -11.289 5.204 -2.120 296 H ILE 41 H ILE 41 -6.318 5.275 0.268 297 HA ILE 41 HA ILE 41 -5.874 2.450 0.974 298 HB ILE 41 HB ILE 41 -4.730 3.283 -1.329 299 HG12 ILE 41 2HG1 ILE 41 -2.882 1.652 -0.983 300 HG13 ILE 41 3HG1 ILE 41 -3.362 1.503 0.706 301 HG21 ILE 41 1HG2 ILE 41 -2.574 3.922 0.716 302 HG22 ILE 41 2HG2 ILE 41 -2.451 3.989 -1.037 303 HG23 ILE 41 3HG2 ILE 41 -3.495 5.145 -0.189 304 HD11 ILE 41 1HD1 ILE 41 -5.155 0.875 -1.691 305 HD12 ILE 41 2HD1 ILE 41 -4.214 -0.322 -0.784 306 HD13 ILE 41 3HD1 ILE 41 -5.534 0.542 0.014 307 H SER 42 H SER 42 -4.287 2.162 2.689 308 HA SER 42 HA SER 42 -4.181 4.528 4.494 309 HB2 SER 42 2HB SER 42 -5.053 2.209 5.201 310 HB3 SER 42 3HB SER 42 -3.364 1.692 5.146 311 HG SER 42 HG SER 42 -4.658 3.155 7.019 312 H GLU 43 H GLU 43 -2.205 5.079 5.594 313 HA GLU 43 HA GLU 43 0.252 4.614 4.084 314 HB2 GLU 43 2HB GLU 43 1.322 5.976 5.723 315 HB3 GLU 43 3HB GLU 43 -0.143 6.769 5.161 316 HG2 GLU 43 2HG GLU 43 -1.324 6.281 7.167 317 HG3 GLU 43 3HG GLU 43 -0.049 5.193 7.731 318 H ASN 44 H ASN 44 -1.391 2.590 6.205 319 HA ASN 44 HA ASN 44 1.084 1.409 7.314 320 HB2 ASN 44 2HB ASN 44 -0.317 0.003 8.708 321 HB3 ASN 44 3HB ASN 44 -0.551 1.724 8.940 322 HD21 ASN 44 1HD2 ASN 44 -2.411 1.709 9.926 323 HD22 ASN 44 2HD2 ASN 44 -3.893 1.232 9.123 324 H GLY 45 H GLY 45 -1.671 -0.415 5.969 325 HA2 GLY 45 2HA GLY 45 -1.777 -2.079 4.406 326 HA3 GLY 45 3HA GLY 45 -0.838 -0.911 3.509 327 H TRP 46 H TRP 46 0.962 -1.447 2.729 328 HA TRP 46 HA TRP 46 2.626 -2.668 1.875 329 HB2 TRP 46 2HB TRP 46 3.383 -3.400 4.125 330 HB3 TRP 46 3HB TRP 46 2.330 -4.797 3.946 331 HD1 TRP 46 HD1 TRP 46 5.439 -3.213 2.411 332 HE1 TRP 46 HE1 TRP 46 6.764 -4.945 1.056 333 HE3 TRP 46 HE3 TRP 46 2.162 -7.119 2.685 334 HZ2 TRP 46 HZ2 TRP 46 6.424 -7.675 0.178 335 HZ3 TRP 46 HZ3 TRP 46 2.689 -9.288 1.599 336 HH2 TRP 46 HH2 TRP 46 4.818 -9.569 0.347 337 H CYS 47 H CYS 47 2.592 -3.909 0.117 338 HA CYS 47 HA CYS 47 0.654 -6.115 -0.208 339 HB2 CYS 47 2HB CYS 47 -0.313 -5.170 -2.156 340 HB3 CYS 47 3HB CYS 47 -0.151 -3.770 -1.082 341 H ARG 48 H ARG 48 1.124 -7.179 -2.452 342 HA ARG 48 HA ARG 48 3.973 -7.901 -2.411 343 HB2 ARG 48 2HB ARG 48 1.472 -8.985 -3.751 344 HB3 ARG 48 3HB ARG 48 3.042 -9.519 -4.335 345 HG2 ARG 48 2HG ARG 48 2.262 -9.694 -1.424 346 HG3 ARG 48 3HG ARG 48 1.894 -10.970 -2.584 347 HD2 ARG 48 2HD ARG 48 4.241 -11.302 -3.116 348 HD3 ARG 48 3HD ARG 48 4.718 -9.947 -2.078 349 HE ARG 48 HE ARG 48 3.271 -11.654 -0.406 350 HH11 ARG 48 1HH1 ARG 48 6.251 -12.050 -2.252 351 HH12 ARG 48 2HH1 ARG 48 6.790 -13.329 -1.189 352 HH21 ARG 48 1HH2 ARG 48 4.052 -12.994 0.929 353 HH22 ARG 48 2HH2 ARG 48 5.646 -13.718 0.755 354 H LEU 49 H LEU 49 2.615 -5.307 -3.784 355 HA LEU 49 HA LEU 49 4.375 -5.374 -6.192 356 HB2 LEU 49 2HB LEU 49 1.887 -3.833 -5.472 357 HB3 LEU 49 3HB LEU 49 3.020 -3.153 -6.601 358 HG LEU 49 HG LEU 49 1.151 -4.298 -7.689 359 HD11 LEU 49 1HD1 LEU 49 3.787 -5.707 -8.286 360 HD12 LEU 49 2HD1 LEU 49 2.407 -5.496 -9.375 361 HD13 LEU 49 3HD1 LEU 49 3.341 -4.086 -8.855 362 HD21 LEU 49 1HD2 LEU 49 0.932 -6.185 -6.018 363 HD22 LEU 49 2HD2 LEU 49 0.846 -6.654 -7.728 364 HD23 LEU 49 3HD2 LEU 49 2.326 -6.953 -6.803 365 H TYR 50 H TYR 50 4.705 -4.549 -3.050 366 HA TYR 50 HA TYR 50 5.724 -2.143 -2.624 367 HB2 TYR 50 2HB TYR 50 5.642 -4.107 -1.102 368 HB3 TYR 50 3HB TYR 50 7.111 -4.731 -1.833 369 HD1 TYR 50 HD1 TYR 50 5.646 -1.943 0.139 370 HD2 TYR 50 HD2 TYR 50 9.280 -3.915 -1.076 371 HE1 TYR 50 HE1 TYR 50 6.921 -0.737 1.930 372 HE2 TYR 50 HE2 TYR 50 10.548 -2.657 0.651 373 HH TYR 50 HH TYR 50 10.421 -1.134 2.397 374 H ALA 51 H ALA 51 7.612 -0.996 -2.640 375 HA ALA 51 HA ALA 51 8.982 -1.001 -5.129 376 HB1 ALA 51 1HB ALA 51 9.434 0.638 -2.618 377 HB2 ALA 51 2HB ALA 51 9.948 1.071 -4.268 378 HB3 ALA 51 3HB ALA 51 8.225 0.963 -3.878 379 H GLY 52 H GLY 52 11.256 -0.631 -5.469 380 HA2 GLY 52 2HA GLY 52 13.012 -2.679 -4.546 381 HA3 GLY 52 3HA GLY 52 13.363 -1.328 -5.633 382 H LYS 53 H LYS 53 12.204 -0.410 -2.690 383 HA LYS 53 HA LYS 53 14.496 1.189 -2.000 384 HB2 LYS 53 2HB LYS 53 11.985 0.738 -0.391 385 HB3 LYS 53 3HB LYS 53 13.177 2.019 -0.142 386 HG2 LYS 53 2HG LYS 53 11.588 1.587 -2.675 387 HG3 LYS 53 3HG LYS 53 11.116 2.722 -1.403 388 HD2 LYS 53 2HD LYS 53 13.194 4.015 -1.898 389 HD3 LYS 53 3HD LYS 53 13.576 2.856 -3.201 390 HE2 LYS 53 2HE LYS 53 11.486 3.389 -4.371 391 HE3 LYS 53 3HE LYS 53 10.955 4.409 -3.039 392 HZ1 LYS 53 1HZ LYS 53 12.971 5.809 -3.525 393 HZ2 LYS 53 2HZ LYS 53 13.147 4.970 -4.938 394 HZ3 LYS 53 3HZ LYS 53 11.795 5.878 -4.633 395 H ALA 54 H ALA 54 16.264 -0.091 -1.457 396 HA ALA 54 HA ALA 54 16.213 -1.812 0.950 397 HB1 ALA 54 1HB ALA 54 16.721 -2.932 -1.850 398 HB2 ALA 54 2HB ALA 54 16.837 -3.833 -0.323 399 HB3 ALA 54 3HB ALA 54 15.271 -3.226 -0.884 Start of MODEL 12 1 H1 VAL 1 1H VAL 1 -5.680 8.855 -19.008 2 H2 VAL 1 2H VAL 1 -5.297 10.019 -17.901 3 H3 VAL 1 3H VAL 1 -6.464 8.924 -17.580 4 HA VAL 1 HA VAL 1 -3.668 8.137 -18.046 5 HB VAL 1 HB VAL 1 -3.525 7.743 -15.581 6 HG11 VAL 1 1HG1 VAL 1 -3.732 10.637 -16.497 7 HG12 VAL 1 2HG1 VAL 1 -2.834 10.030 -15.101 8 HG13 VAL 1 3HG1 VAL 1 -2.347 9.565 -16.738 9 HG21 VAL 1 1HG2 VAL 1 -5.937 7.966 -14.991 10 HG22 VAL 1 2HG2 VAL 1 -4.888 9.041 -14.060 11 HG23 VAL 1 3HG2 VAL 1 -5.860 9.699 -15.376 12 H THR 2 H THR 2 -3.164 5.971 -17.370 13 HA THR 2 HA THR 2 -5.388 4.055 -17.753 14 HB THR 2 HB THR 2 -2.449 3.382 -17.376 15 HG1 THR 2 HG1 THR 2 -2.219 3.517 -19.571 16 HG21 THR 2 1HG2 THR 2 -4.080 1.484 -17.367 17 HG22 THR 2 2HG2 THR 2 -4.693 2.023 -18.946 18 HG23 THR 2 3HG2 THR 2 -3.020 1.443 -18.781 19 H LYS 3 H LYS 3 -6.256 2.844 -16.107 20 HA LYS 3 HA LYS 3 -5.491 3.451 -13.383 21 HB2 LYS 3 2HB LYS 3 -7.835 2.916 -14.412 22 HB3 LYS 3 3HB LYS 3 -7.394 1.222 -14.151 23 HG2 LYS 3 2HG LYS 3 -7.007 1.778 -11.712 24 HG3 LYS 3 3HG LYS 3 -7.515 3.442 -12.052 25 HD2 LYS 3 2HD LYS 3 -9.746 2.492 -12.865 26 HD3 LYS 3 3HD LYS 3 -9.197 0.912 -12.274 27 HE2 LYS 3 2HE LYS 3 -8.706 2.314 -10.049 28 HE3 LYS 3 3HE LYS 3 -9.879 3.430 -10.746 29 HZ1 LYS 3 1HZ LYS 3 -10.319 0.581 -10.051 30 HZ2 LYS 3 2HZ LYS 3 -11.052 1.899 -9.361 31 HZ3 LYS 3 3HZ LYS 3 -11.427 1.482 -10.883 32 H LYS 4 H LYS 4 -4.343 2.319 -11.885 33 HA LYS 4 HA LYS 4 -2.610 0.142 -12.599 34 HB2 LYS 4 2HB LYS 4 -3.388 1.576 -10.028 35 HB3 LYS 4 3HB LYS 4 -2.291 0.215 -9.932 36 HG2 LYS 4 2HG LYS 4 -1.809 2.508 -11.770 37 HG3 LYS 4 3HG LYS 4 -1.250 2.471 -10.107 38 HD2 LYS 4 2HD LYS 4 0.136 0.428 -10.733 39 HD3 LYS 4 3HD LYS 4 -0.464 0.606 -12.396 40 HE2 LYS 4 2HE LYS 4 0.342 3.031 -12.260 41 HE3 LYS 4 3HE LYS 4 1.190 2.604 -10.803 42 HZ1 LYS 4 1HZ LYS 4 2.605 1.140 -12.047 43 HZ2 LYS 4 2HZ LYS 4 1.604 1.089 -13.332 44 HZ3 LYS 4 3HZ LYS 4 2.458 2.445 -13.038 45 H ALA 5 H ALA 5 -2.378 -1.451 -10.762 46 HA ALA 5 HA ALA 5 -4.399 -3.567 -10.806 47 HB1 ALA 5 1HB ALA 5 -2.046 -4.109 -10.403 48 HB2 ALA 5 2HB ALA 5 -1.999 -3.035 -8.988 49 HB3 ALA 5 3HB ALA 5 -2.975 -4.510 -8.957 50 H SER 6 H SER 6 -5.956 -4.075 -9.248 51 HA SER 6 HA SER 6 -6.839 -2.071 -7.338 52 HB2 SER 6 2HB SER 6 -8.314 -3.839 -6.486 53 HB3 SER 6 3HB SER 6 -8.447 -3.654 -8.244 54 HG SER 6 HG SER 6 -7.396 -5.498 -8.557 55 H HIS 7 H HIS 7 -6.814 -2.294 -5.001 56 HA HIS 7 HA HIS 7 -4.338 -3.073 -3.783 57 HB2 HIS 7 2HB HIS 7 -6.089 -3.077 -1.706 58 HB3 HIS 7 3HB HIS 7 -5.331 -1.655 -2.381 59 HD2 HIS 7 HD2 HIS 7 -6.854 -0.041 -3.939 60 HE1 HIS 7 HE1 HIS 7 -10.603 -1.586 -2.664 61 HE2 HIS 7 HE2 HIS 7 -9.437 0.351 -3.854 62 H LYS 8 H LYS 8 -7.043 -4.853 -4.559 63 HA LYS 8 HA LYS 8 -6.581 -7.311 -3.033 64 HB2 LYS 8 2HB LYS 8 -8.167 -6.880 -5.615 65 HB3 LYS 8 3HB LYS 8 -8.225 -8.298 -4.589 66 HG2 LYS 8 2HG LYS 8 -9.200 -5.503 -3.866 67 HG3 LYS 8 3HG LYS 8 -10.141 -6.919 -4.327 68 HD2 LYS 8 2HD LYS 8 -8.733 -7.965 -2.225 69 HD3 LYS 8 3HD LYS 8 -8.757 -6.283 -1.724 70 HE2 LYS 8 2HE LYS 8 -11.216 -7.969 -2.422 71 HE3 LYS 8 3HE LYS 8 -10.627 -7.650 -0.786 72 HZ1 LYS 8 1HZ LYS 8 -10.980 -5.272 -1.195 73 HZ2 LYS 8 2HZ LYS 8 -11.623 -5.573 -2.667 74 HZ3 LYS 8 3HZ LYS 8 -12.367 -6.116 -1.284 75 H ASP 9 H ASP 9 -6.245 -6.575 -6.497 76 HA ASP 9 HA ASP 9 -4.723 -8.855 -7.247 77 HB2 ASP 9 2HB ASP 9 -5.846 -7.167 -8.725 78 HB3 ASP 9 3HB ASP 9 -4.500 -6.091 -8.444 79 H ALA 10 H ALA 10 -3.660 -5.702 -6.145 80 HA ALA 10 HA ALA 10 -0.841 -6.242 -6.163 81 HB1 ALA 10 1HB ALA 10 -2.423 -4.180 -4.582 82 HB2 ALA 10 2HB ALA 10 -0.678 -4.147 -4.887 83 HB3 ALA 10 3HB ALA 10 -1.811 -3.966 -6.240 84 H GLY 11 H GLY 11 -3.234 -7.512 -4.068 85 HA2 GLY 11 2HA GLY 11 -3.081 -8.835 -2.234 86 HA3 GLY 11 3HA GLY 11 -1.344 -8.969 -2.524 87 H TYR 12 H TYR 12 -3.286 -6.081 -1.690 88 HA TYR 12 HA TYR 12 -1.533 -5.267 0.443 89 HB2 TYR 12 2HB TYR 12 -2.540 -3.328 0.363 90 HB3 TYR 12 3HB TYR 12 -3.132 -3.878 -1.177 91 HD1 TYR 12 HD1 TYR 12 -5.431 -5.732 -0.158 92 HD2 TYR 12 HD2 TYR 12 -4.141 -1.765 0.962 93 HE1 TYR 12 HE1 TYR 12 -7.704 -5.232 0.708 94 HE2 TYR 12 HE2 TYR 12 -6.429 -1.267 1.801 95 HH TYR 12 HH TYR 12 -8.959 -3.760 1.996 96 H GLN 13 H GLN 13 -2.477 -4.525 2.574 97 HA GLN 13 HA GLN 13 -4.427 -6.343 3.803 98 HB2 GLN 13 2HB GLN 13 -2.604 -6.652 5.728 99 HB3 GLN 13 3HB GLN 13 -2.812 -7.772 4.393 100 HG2 GLN 13 2HG GLN 13 -0.905 -6.766 3.184 101 HG3 GLN 13 3HG GLN 13 -0.677 -5.604 4.505 102 HE21 GLN 13 1HE2 GLN 13 1.021 -6.046 5.587 103 HE22 GLN 13 2HE2 GLN 13 1.503 -7.648 6.095 104 H GLU 14 H GLU 14 -4.818 -5.669 6.162 105 HA GLU 14 HA GLU 14 -5.275 -2.789 6.142 106 HB2 GLU 14 2HB GLU 14 -6.559 -3.127 8.106 107 HB3 GLU 14 3HB GLU 14 -6.920 -4.420 6.957 108 HG2 GLU 14 2HG GLU 14 -5.418 -5.937 8.263 109 HG3 GLU 14 3HG GLU 14 -5.152 -4.639 9.430 110 H SER 15 H SER 15 -2.560 -4.401 6.897 111 HA SER 15 HA SER 15 -1.434 -2.389 8.729 112 HB2 SER 15 2HB SER 15 -0.613 -4.402 10.171 113 HB3 SER 15 3HB SER 15 -2.266 -3.865 10.350 114 HG SER 15 HG SER 15 -2.356 -6.056 10.121 115 HA PRO 16 HA PRO 16 2.442 -3.134 6.727 116 HB2 PRO 16 2HB PRO 16 3.804 -3.645 9.323 117 HB3 PRO 16 3HB PRO 16 4.156 -2.401 8.106 118 HG2 PRO 16 2HG PRO 16 2.914 -1.825 10.472 119 HG3 PRO 16 3HG PRO 16 2.583 -0.958 8.942 120 HD2 PRO 16 2HD PRO 16 0.900 -3.022 10.334 121 HD3 PRO 16 3HD PRO 16 0.431 -1.620 9.346 122 H ASN 17 H ASN 17 4.296 -4.569 6.425 123 HA ASN 17 HA ASN 17 3.955 -7.421 7.295 124 HB2 ASN 17 2HB ASN 17 3.570 -7.371 4.943 125 HB3 ASN 17 3HB ASN 17 4.826 -6.183 4.673 126 HD21 ASN 17 1HD2 ASN 17 5.340 -7.859 2.941 127 HD22 ASN 17 2HD2 ASN 17 6.501 -9.093 3.422 128 H GLY 18 H GLY 18 5.182 -7.181 9.185 129 HA2 GLY 18 2HA GLY 18 7.059 -7.004 10.504 130 HA3 GLY 18 3HA GLY 18 7.985 -7.407 9.057 131 H ALA 19 H ALA 19 9.411 -5.949 8.452 132 HA ALA 19 HA ALA 19 9.472 -3.241 9.510 133 HB1 ALA 19 1HB ALA 19 11.204 -4.634 7.423 134 HB2 ALA 19 2HB ALA 19 11.580 -3.106 8.248 135 HB3 ALA 19 3HB ALA 19 11.495 -4.614 9.178 136 H LYS 20 H LYS 20 7.950 -4.557 6.602 137 HA LYS 20 HA LYS 20 8.272 -2.004 5.127 138 HB2 LYS 20 2HB LYS 20 6.900 -4.549 4.237 139 HB3 LYS 20 3HB LYS 20 7.336 -3.169 3.241 140 HG2 LYS 20 2HG LYS 20 9.366 -3.992 2.817 141 HG3 LYS 20 3HG LYS 20 9.757 -4.118 4.536 142 HD2 LYS 20 2HD LYS 20 8.468 -6.272 4.628 143 HD3 LYS 20 3HD LYS 20 8.180 -6.141 2.897 144 HE2 LYS 20 2HE LYS 20 10.714 -6.021 2.581 145 HE3 LYS 20 3HE LYS 20 10.876 -6.362 4.308 146 HZ1 LYS 20 1HZ LYS 20 9.687 -8.096 2.237 147 HZ2 LYS 20 2HZ LYS 20 11.053 -8.405 3.119 148 HZ3 LYS 20 3HZ LYS 20 9.606 -8.439 3.872 149 H ARG 21 H ARG 21 6.741 -0.626 4.649 150 HA ARG 21 HA ARG 21 3.870 -1.155 5.079 151 HB2 ARG 21 2HB ARG 21 3.565 0.108 6.899 152 HB3 ARG 21 3HB ARG 21 5.274 -0.042 7.195 153 HG2 ARG 21 2HG ARG 21 5.697 2.137 6.104 154 HG3 ARG 21 3HG ARG 21 3.985 2.250 5.664 155 HD2 ARG 21 2HD ARG 21 3.510 2.041 8.208 156 HD3 ARG 21 3HD ARG 21 5.203 2.449 8.431 157 HE ARG 21 HE ARG 21 3.029 4.135 7.282 158 HH11 ARG 21 1HH1 ARG 21 6.495 4.007 7.934 159 HH12 ARG 21 2HH1 ARG 21 6.623 5.750 7.789 160 HH21 ARG 21 1HH2 ARG 21 3.327 6.406 7.372 161 HH22 ARG 21 2HH2 ARG 21 4.975 6.973 7.414 162 H CYS 22 H CYS 22 2.510 0.362 3.909 163 HA CYS 22 HA CYS 22 3.263 1.189 1.435 164 HB2 CYS 22 2HB CYS 22 1.217 2.362 3.372 165 HB3 CYS 22 3HB CYS 22 1.338 2.846 1.687 166 H GLY 23 H GLY 23 3.182 3.565 4.153 167 HA2 GLY 23 2HA GLY 23 4.457 5.710 2.872 168 HA3 GLY 23 3HA GLY 23 4.374 5.446 4.604 169 H THR 24 H THR 24 6.085 2.842 3.221 170 HA THR 24 HA THR 24 8.561 4.239 2.729 171 HB THR 24 HB THR 24 8.442 3.885 5.242 172 HG1 THR 24 HG1 THR 24 10.590 3.625 5.341 173 HG21 THR 24 1HG2 THR 24 7.799 1.437 5.052 174 HG22 THR 24 2HG2 THR 24 9.490 1.136 4.584 175 HG23 THR 24 3HG2 THR 24 9.124 1.832 6.168 176 H CYS 25 H CYS 25 6.567 2.287 1.357 177 HA CYS 25 HA CYS 25 8.116 -0.085 0.752 178 HB2 CYS 25 2HB CYS 25 6.394 -0.708 -0.634 179 HB3 CYS 25 3HB CYS 25 5.567 0.241 0.576 180 H ARG 26 H ARG 26 7.130 2.332 -1.481 181 HA ARG 26 HA ARG 26 9.680 3.590 -1.904 182 HB2 ARG 26 2HB ARG 26 9.897 1.571 -3.443 183 HB3 ARG 26 3HB ARG 26 8.520 2.193 -4.366 184 HG2 ARG 26 2HG ARG 26 9.805 4.257 -4.878 185 HG3 ARG 26 3HG ARG 26 11.136 3.683 -3.861 186 HD2 ARG 26 2HD ARG 26 11.399 1.742 -5.415 187 HD3 ARG 26 3HD ARG 26 10.158 2.450 -6.470 188 HE ARG 26 HE ARG 26 11.893 4.545 -6.169 189 HH11 ARG 26 1HH1 ARG 26 12.577 1.271 -7.228 190 HH12 ARG 26 2HH1 ARG 26 14.134 1.761 -7.879 191 HH21 ARG 26 1HH2 ARG 26 13.832 5.021 -6.934 192 HH22 ARG 26 2HH2 ARG 26 14.791 3.808 -7.769 193 H GLN 27 H GLN 27 6.243 3.244 -2.567 194 HA GLN 27 HA GLN 27 6.156 6.078 -3.499 195 HB2 GLN 27 2HB GLN 27 4.299 3.860 -4.387 196 HB3 GLN 27 3HB GLN 27 4.239 5.576 -4.834 197 HG2 GLN 27 2HG GLN 27 6.714 5.253 -5.614 198 HG3 GLN 27 3HG GLN 27 6.367 3.525 -5.543 199 HE21 GLN 27 1HE2 GLN 27 4.382 2.791 -6.953 200 HE22 GLN 27 2HE2 GLN 27 4.312 3.619 -8.504 201 H PHE 28 H PHE 28 3.316 4.171 -2.422 202 HA PHE 28 HA PHE 28 1.495 4.957 -1.377 203 HB2 PHE 28 2HB PHE 28 2.650 4.593 0.642 204 HB3 PHE 28 3HB PHE 28 3.541 6.097 0.541 205 HD1 PHE 28 HD1 PHE 28 -0.016 4.840 0.725 206 HD2 PHE 28 HD2 PHE 28 2.805 7.920 1.815 207 HE1 PHE 28 HE1 PHE 28 -1.785 6.025 1.999 208 HE2 PHE 28 HE2 PHE 28 1.038 9.068 3.126 209 HZ PHE 28 HZ PHE 28 -1.265 8.135 3.200 210 H ARG 29 H ARG 29 0.107 6.914 -0.844 211 HA ARG 29 HA ARG 29 1.110 9.483 -1.830 212 HB2 ARG 29 2HB ARG 29 0.386 8.326 -3.883 213 HB3 ARG 29 3HB ARG 29 -1.212 8.081 -3.202 214 HG2 ARG 29 2HG ARG 29 -1.142 9.896 -4.811 215 HG3 ARG 29 3HG ARG 29 -1.630 10.469 -3.211 216 HD2 ARG 29 2HD ARG 29 0.693 11.339 -2.874 217 HD3 ARG 29 3HD ARG 29 1.111 10.792 -4.513 218 HE ARG 29 HE ARG 29 -1.158 12.338 -4.863 219 HH11 ARG 29 1HH1 ARG 29 1.984 13.183 -3.421 220 HH12 ARG 29 2HH1 ARG 29 1.814 14.821 -4.006 221 HH21 ARG 29 1HH2 ARG 29 -1.275 14.380 -5.384 222 HH22 ARG 29 2HH2 ARG 29 -0.016 15.521 -4.937 223 HA PRO 30 HA PRO 30 -1.668 10.483 1.590 224 HB2 PRO 30 2HB PRO 30 -0.700 13.237 0.826 225 HB3 PRO 30 3HB PRO 30 -0.926 12.533 2.456 226 HG2 PRO 30 2HG PRO 30 1.555 12.709 1.387 227 HG3 PRO 30 3HG PRO 30 1.059 11.210 2.235 228 HD2 PRO 30 2HD PRO 30 1.072 11.765 -0.740 229 HD3 PRO 30 3HD PRO 30 1.693 10.328 0.138 230 HA PRO 31 HA PRO 31 -3.170 11.876 2.736 231 HB2 PRO 31 2HB PRO 31 -5.798 12.054 3.315 232 HB3 PRO 31 3HB PRO 31 -4.883 13.453 2.676 233 HG2 PRO 31 2HG PRO 31 -6.612 11.500 1.112 234 HG3 PRO 31 3HG PRO 31 -6.684 13.292 1.088 235 HD2 PRO 31 2HD PRO 31 -5.285 11.854 -0.772 236 HD3 PRO 31 3HD PRO 31 -4.721 13.447 -0.186 237 H SER 32 H SER 32 -4.775 9.660 0.551 238 HA SER 32 HA SER 32 -4.625 7.361 2.372 239 HB2 SER 32 2HB SER 32 -7.097 6.991 2.362 240 HB3 SER 32 3HB SER 32 -6.636 8.462 3.222 241 HG SER 32 HG SER 32 -7.730 8.235 0.612 242 H SER 33 H SER 33 -3.361 7.703 -0.069 243 HA SER 33 HA SER 33 -4.779 5.875 -1.952 244 HB2 SER 33 2HB SER 33 -3.493 8.568 -2.559 245 HB3 SER 33 3HB SER 33 -4.026 7.417 -3.788 246 HG SER 33 HG SER 33 -6.094 7.539 -3.040 247 H CYS 34 H CYS 34 -3.189 5.396 -3.866 248 HA CYS 34 HA CYS 34 -0.352 5.346 -2.980 249 HB2 CYS 34 2HB CYS 34 -1.314 3.122 -2.484 250 HB3 CYS 34 3HB CYS 34 -1.791 2.952 -4.176 251 H ILE 35 H ILE 35 0.842 4.385 -5.041 252 HA ILE 35 HA ILE 35 -0.042 5.901 -7.477 253 HB ILE 35 HB ILE 35 2.839 5.537 -6.663 254 HG12 ILE 35 2HG1 ILE 35 1.064 8.006 -6.492 255 HG13 ILE 35 3HG1 ILE 35 1.806 7.125 -5.151 256 HG21 ILE 35 1HG2 ILE 35 3.294 7.029 -8.593 257 HG22 ILE 35 2HG2 ILE 35 2.453 5.588 -9.105 258 HG23 ILE 35 3HG2 ILE 35 1.551 7.112 -8.944 259 HD11 ILE 35 1HD1 ILE 35 3.064 9.099 -5.467 260 HD12 ILE 35 2HD1 ILE 35 4.071 7.749 -6.023 261 HD13 ILE 35 3HD1 ILE 35 3.260 8.816 -7.200 262 H THR 36 H THR 36 1.654 3.033 -6.160 263 HA THR 36 HA THR 36 1.668 1.674 -8.727 264 HB THR 36 HB THR 36 1.986 -0.107 -6.431 265 HG1 THR 36 HG1 THR 36 2.981 1.146 -5.162 266 HG21 THR 36 1HG2 THR 36 3.990 0.893 -8.490 267 HG22 THR 36 2HG2 THR 36 4.087 -0.595 -7.515 268 HG23 THR 36 3HG2 THR 36 2.834 -0.426 -8.755 269 H VAL 37 H VAL 37 -0.746 2.180 -6.416 270 HA VAL 37 HA VAL 37 -2.383 -0.175 -7.229 271 HB VAL 37 HB VAL 37 -1.933 0.740 -4.356 272 HG11 VAL 37 1HG1 VAL 37 -3.240 -1.752 -5.503 273 HG12 VAL 37 2HG1 VAL 37 -2.912 -1.434 -3.776 274 HG13 VAL 37 3HG1 VAL 37 -4.060 -0.424 -4.634 275 HG21 VAL 37 1HG2 VAL 37 0.172 -0.223 -5.027 276 HG22 VAL 37 2HG2 VAL 37 -0.664 -1.412 -4.062 277 HG23 VAL 37 3HG2 VAL 37 -0.640 -1.592 -5.831 278 H GLU 38 H GLU 38 -4.620 0.086 -7.029 279 HA GLU 38 HA GLU 38 -5.977 2.571 -7.151 280 HB2 GLU 38 2HB GLU 38 -6.792 -0.212 -6.248 281 HB3 GLU 38 3HB GLU 38 -7.937 1.124 -6.204 282 HG2 GLU 38 2HG GLU 38 -7.635 1.549 -8.559 283 HG3 GLU 38 3HG GLU 38 -6.518 0.195 -8.714 284 H SER 39 H SER 39 -7.443 3.598 -5.672 285 HA SER 39 HA SER 39 -6.694 3.664 -2.833 286 HB2 SER 39 2HB SER 39 -8.238 5.343 -4.834 287 HB3 SER 39 3HB SER 39 -8.435 5.593 -3.121 288 HG SER 39 HG SER 39 -5.921 5.555 -4.467 289 HA PRO 40 HA PRO 40 -7.947 4.757 -1.094 290 HB2 PRO 40 2HB PRO 40 -9.137 4.334 1.282 291 HB3 PRO 40 3HB PRO 40 -9.993 5.162 -0.056 292 HG2 PRO 40 2HG PRO 40 -10.185 2.241 0.755 293 HG3 PRO 40 3HG PRO 40 -11.522 3.386 0.423 294 HD2 PRO 40 2HD PRO 40 -10.523 1.620 -1.458 295 HD3 PRO 40 3HD PRO 40 -11.229 3.203 -1.890 296 H ILE 41 H ILE 41 -6.398 4.596 0.545 297 HA ILE 41 HA ILE 41 -5.272 1.899 1.177 298 HB ILE 41 HB ILE 41 -4.095 4.279 -0.255 299 HG12 ILE 41 2HG1 ILE 41 -5.085 2.560 -1.659 300 HG13 ILE 41 3HG1 ILE 41 -3.376 2.703 -1.932 301 HG21 ILE 41 1HG2 ILE 41 -2.348 2.151 0.991 302 HG22 ILE 41 2HG2 ILE 41 -1.840 3.348 -0.193 303 HG23 ILE 41 3HG2 ILE 41 -2.393 3.881 1.386 304 HD11 ILE 41 1HD1 ILE 41 -4.755 0.464 -0.390 305 HD12 ILE 41 2HD1 ILE 41 -4.026 0.376 -1.998 306 HD13 ILE 41 3HD1 ILE 41 -2.993 0.619 -0.587 307 H SER 42 H SER 42 -3.808 1.851 2.924 308 HA SER 42 HA SER 42 -4.102 3.985 5.009 309 HB2 SER 42 2HB SER 42 -4.687 1.806 5.861 310 HB3 SER 42 3HB SER 42 -3.271 1.064 5.095 311 HG SER 42 HG SER 42 -2.659 1.314 7.150 312 H GLU 43 H GLU 43 -2.130 4.988 5.836 313 HA GLU 43 HA GLU 43 0.154 4.956 4.058 314 HB2 GLU 43 2HB GLU 43 1.231 6.389 5.592 315 HB3 GLU 43 3HB GLU 43 -0.428 6.939 5.427 316 HG2 GLU 43 2HG GLU 43 -1.033 6.045 7.552 317 HG3 GLU 43 3HG GLU 43 0.494 5.205 7.721 318 H ASN 44 H ASN 44 -0.853 2.615 6.229 319 HA ASN 44 HA ASN 44 1.925 1.586 6.540 320 HB2 ASN 44 2HB ASN 44 1.430 0.832 8.682 321 HB3 ASN 44 3HB ASN 44 0.642 2.388 8.632 322 HD21 ASN 44 1HD2 ASN 44 -0.384 1.640 10.497 323 HD22 ASN 44 2HD2 ASN 44 -1.822 0.638 10.256 324 H GLY 45 H GLY 45 -1.034 0.804 4.989 325 HA2 GLY 45 2HA GLY 45 -1.070 -2.008 5.659 326 HA3 GLY 45 3HA GLY 45 -2.190 -1.161 4.621 327 H TRP 46 H TRP 46 1.182 -2.190 4.643 328 HA TRP 46 HA TRP 46 2.097 -2.075 2.148 329 HB2 TRP 46 2HB TRP 46 3.286 -3.051 4.127 330 HB3 TRP 46 3HB TRP 46 2.327 -4.494 3.965 331 HD1 TRP 46 HD1 TRP 46 5.083 -2.598 2.046 332 HE1 TRP 46 HE1 TRP 46 6.386 -4.267 0.591 333 HE3 TRP 46 HE3 TRP 46 2.177 -6.749 2.731 334 HZ2 TRP 46 HZ2 TRP 46 6.363 -7.111 0.066 335 HZ3 TRP 46 HZ3 TRP 46 2.807 -8.911 1.691 336 HH2 TRP 46 HH2 TRP 46 4.910 -9.111 0.374 337 H CYS 47 H CYS 47 2.044 -3.008 0.155 338 HA CYS 47 HA CYS 47 0.320 -5.391 -0.265 339 HB2 CYS 47 2HB CYS 47 -0.384 -4.519 -2.331 340 HB3 CYS 47 3HB CYS 47 -0.322 -3.064 -1.318 341 H ARG 48 H ARG 48 0.822 -6.740 -1.961 342 HA ARG 48 HA ARG 48 3.565 -7.684 -1.796 343 HB2 ARG 48 2HB ARG 48 0.937 -8.791 -2.108 344 HB3 ARG 48 3HB ARG 48 1.759 -9.169 -3.611 345 HG2 ARG 48 2HG ARG 48 2.861 -9.723 -0.828 346 HG3 ARG 48 3HG ARG 48 1.942 -10.899 -1.788 347 HD2 ARG 48 2HD ARG 48 3.610 -10.747 -3.599 348 HD3 ARG 48 3HD ARG 48 4.590 -9.630 -2.620 349 HE ARG 48 HE ARG 48 4.333 -11.763 -0.942 350 HH11 ARG 48 1HH1 ARG 48 5.494 -11.559 -4.263 351 HH12 ARG 48 2HH1 ARG 48 6.480 -12.983 -4.071 352 HH21 ARG 48 1HH2 ARG 48 5.536 -13.510 -0.770 353 HH22 ARG 48 2HH2 ARG 48 6.464 -14.099 -2.133 354 H LEU 49 H LEU 49 2.054 -5.543 -3.875 355 HA LEU 49 HA LEU 49 3.855 -6.218 -6.150 356 HB2 LEU 49 2HB LEU 49 1.272 -6.607 -6.261 357 HB3 LEU 49 3HB LEU 49 1.187 -4.853 -6.440 358 HG LEU 49 HG LEU 49 2.755 -5.166 -8.482 359 HD11 LEU 49 1HD1 LEU 49 3.569 -7.444 -7.980 360 HD12 LEU 49 2HD1 LEU 49 1.912 -8.068 -8.106 361 HD13 LEU 49 3HD1 LEU 49 2.728 -7.389 -9.533 362 HD21 LEU 49 1HD2 LEU 49 0.350 -4.718 -8.693 363 HD22 LEU 49 2HD2 LEU 49 0.889 -5.856 -9.937 364 HD23 LEU 49 3HD2 LEU 49 -0.006 -6.447 -8.517 365 H TYR 50 H TYR 50 3.977 -4.173 -3.775 366 HA TYR 50 HA TYR 50 4.146 -1.613 -4.699 367 HB2 TYR 50 2HB TYR 50 5.583 -1.123 -2.925 368 HB3 TYR 50 3HB TYR 50 4.566 -2.427 -2.363 369 HD1 TYR 50 HD1 TYR 50 5.561 -4.793 -2.219 370 HD2 TYR 50 HD2 TYR 50 7.978 -1.289 -2.903 371 HE1 TYR 50 HE1 TYR 50 7.585 -6.036 -1.482 372 HE2 TYR 50 HE2 TYR 50 9.987 -2.515 -2.109 373 HH TYR 50 HH TYR 50 10.812 -4.514 -1.209 374 H ALA 51 H ALA 51 5.781 -0.217 -5.499 375 HA ALA 51 HA ALA 51 7.302 -1.274 -7.702 376 HB1 ALA 51 1HB ALA 51 7.359 1.448 -6.334 377 HB2 ALA 51 2HB ALA 51 8.122 1.057 -7.884 378 HB3 ALA 51 3HB ALA 51 6.358 0.986 -7.730 379 H GLY 52 H GLY 52 9.182 -2.366 -7.579 380 HA2 GLY 52 2HA GLY 52 10.643 -2.826 -5.222 381 HA3 GLY 52 3HA GLY 52 11.252 -3.113 -6.855 382 H LYS 53 H LYS 53 12.530 -2.039 -4.347 383 HA LYS 53 HA LYS 53 13.156 0.708 -4.507 384 HB2 LYS 53 2HB LYS 53 13.386 -1.419 -2.689 385 HB3 LYS 53 3HB LYS 53 15.041 -1.184 -3.199 386 HG2 LYS 53 2HG LYS 53 14.691 0.045 -1.231 387 HG3 LYS 53 3HG LYS 53 14.813 1.248 -2.519 388 HD2 LYS 53 2HD LYS 53 12.391 1.612 -2.450 389 HD3 LYS 53 3HD LYS 53 12.198 0.195 -1.386 390 HE2 LYS 53 2HE LYS 53 13.755 1.314 0.253 391 HE3 LYS 53 3HE LYS 53 13.689 2.788 -0.712 392 HZ1 LYS 53 1HZ LYS 53 12.091 2.432 1.292 393 HZ2 LYS 53 2HZ LYS 53 11.499 3.127 -0.074 394 HZ3 LYS 53 3HZ LYS 53 11.192 1.541 0.249 395 H ALA 54 H ALA 54 15.031 1.540 -4.804 396 HA ALA 54 HA ALA 54 16.752 2.374 -6.102 397 HB1 ALA 54 1HB ALA 54 17.909 -0.353 -5.425 398 HB2 ALA 54 2HB ALA 54 18.821 1.119 -5.817 399 HB3 ALA 54 3HB ALA 54 17.842 1.054 -4.342 Start of MODEL 13 1 H1 VAL 1 1H VAL 1 -9.640 3.937 -20.274 2 H2 VAL 1 2H VAL 1 -9.227 5.437 -20.798 3 H3 VAL 1 3H VAL 1 -9.781 5.209 -19.252 4 HA VAL 1 HA VAL 1 -7.261 4.165 -20.355 5 HB VAL 1 HB VAL 1 -6.233 5.570 -18.506 6 HG11 VAL 1 1HG1 VAL 1 -5.971 6.060 -20.877 7 HG12 VAL 1 2HG1 VAL 1 -7.478 6.992 -20.881 8 HG13 VAL 1 3HG1 VAL 1 -6.092 7.547 -19.927 9 HG21 VAL 1 1HG2 VAL 1 -8.825 7.157 -18.663 10 HG22 VAL 1 2HG2 VAL 1 -8.332 6.146 -17.284 11 HG23 VAL 1 3HG2 VAL 1 -7.364 7.547 -17.745 12 H THR 2 H THR 2 -5.959 2.911 -18.935 13 HA THR 2 HA THR 2 -7.713 1.106 -17.444 14 HB THR 2 HB THR 2 -4.770 0.905 -18.125 15 HG1 THR 2 HG1 THR 2 -6.488 0.850 -19.794 16 HG21 THR 2 1HG2 THR 2 -5.119 -1.530 -17.652 17 HG22 THR 2 2HG2 THR 2 -5.218 -0.541 -16.189 18 HG23 THR 2 3HG2 THR 2 -6.706 -1.150 -16.952 19 H LYS 3 H LYS 3 -8.206 1.356 -15.415 20 HA LYS 3 HA LYS 3 -6.775 3.131 -13.623 21 HB2 LYS 3 2HB LYS 3 -9.299 2.605 -13.737 22 HB3 LYS 3 3HB LYS 3 -8.920 1.117 -12.856 23 HG2 LYS 3 2HG LYS 3 -7.965 2.493 -10.993 24 HG3 LYS 3 3HG LYS 3 -8.315 3.964 -11.927 25 HD2 LYS 3 2HD LYS 3 -10.755 3.282 -11.927 26 HD3 LYS 3 3HD LYS 3 -10.325 1.962 -10.814 27 HE2 LYS 3 2HE LYS 3 -9.437 3.626 -9.192 28 HE3 LYS 3 3HE LYS 3 -9.804 4.926 -10.334 29 HZ1 LYS 3 1HZ LYS 3 -11.754 3.220 -8.903 30 HZ2 LYS 3 2HZ LYS 3 -11.551 4.841 -8.803 31 HZ3 LYS 3 3HZ LYS 3 -12.195 4.152 -10.172 32 H LYS 4 H LYS 4 -5.642 2.665 -11.757 33 HA LYS 4 HA LYS 4 -3.730 0.664 -11.780 34 HB2 LYS 4 2HB LYS 4 -4.901 2.365 -9.572 35 HB3 LYS 4 3HB LYS 4 -3.725 1.131 -9.141 36 HG2 LYS 4 2HG LYS 4 -3.050 2.903 -11.433 37 HG3 LYS 4 3HG LYS 4 -2.907 3.555 -9.790 38 HD2 LYS 4 2HD LYS 4 -1.199 2.155 -9.202 39 HD3 LYS 4 3HD LYS 4 -1.708 0.826 -10.268 40 HE2 LYS 4 2HE LYS 4 -0.941 1.859 -12.186 41 HE3 LYS 4 3HE LYS 4 -0.753 3.436 -11.404 42 HZ1 LYS 4 1HZ LYS 4 0.918 1.023 -10.921 43 HZ2 LYS 4 2HZ LYS 4 1.379 2.315 -11.808 44 HZ3 LYS 4 3HZ LYS 4 1.154 2.520 -10.221 45 H ALA 5 H ALA 5 -3.225 -1.045 -10.592 46 HA ALA 5 HA ALA 5 -5.135 -3.168 -10.469 47 HB1 ALA 5 1HB ALA 5 -2.427 -2.920 -9.087 48 HB2 ALA 5 2HB ALA 5 -3.366 -4.417 -9.289 49 HB3 ALA 5 3HB ALA 5 -2.719 -3.580 -10.714 50 H SER 6 H SER 6 -6.486 -3.864 -8.854 51 HA SER 6 HA SER 6 -7.081 -2.072 -6.690 52 HB2 SER 6 2HB SER 6 -8.616 -3.801 -5.891 53 HB3 SER 6 3HB SER 6 -8.788 -3.533 -7.634 54 HG SER 6 HG SER 6 -8.647 -5.715 -7.470 55 H HIS 7 H HIS 7 -6.745 -2.296 -4.499 56 HA HIS 7 HA HIS 7 -4.247 -3.319 -3.518 57 HB2 HIS 7 2HB HIS 7 -5.631 -2.993 -1.284 58 HB3 HIS 7 3HB HIS 7 -5.090 -1.633 -2.234 59 HD2 HIS 7 HD2 HIS 7 -6.837 0.102 -2.931 60 HE1 HIS 7 HE1 HIS 7 -10.392 -2.219 -2.626 61 HE2 HIS 7 HE2 HIS 7 -9.454 0.115 -3.076 62 H LYS 8 H LYS 8 -7.321 -4.773 -3.920 63 HA LYS 8 HA LYS 8 -6.892 -7.336 -2.681 64 HB2 LYS 8 2HB LYS 8 -8.523 -6.810 -5.199 65 HB3 LYS 8 3HB LYS 8 -8.697 -8.118 -4.063 66 HG2 LYS 8 2HG LYS 8 -9.335 -5.177 -3.556 67 HG3 LYS 8 3HG LYS 8 -10.455 -6.471 -3.902 68 HD2 LYS 8 2HD LYS 8 -9.214 -7.556 -1.702 69 HD3 LYS 8 3HD LYS 8 -8.958 -5.843 -1.373 70 HE2 LYS 8 2HE LYS 8 -11.021 -6.393 -0.314 71 HE3 LYS 8 3HE LYS 8 -11.464 -5.499 -1.778 72 HZ1 LYS 8 1HZ LYS 8 -11.490 -8.453 -1.466 73 HZ2 LYS 8 2HZ LYS 8 -12.824 -7.474 -1.559 74 HZ3 LYS 8 3HZ LYS 8 -11.831 -7.693 -2.861 75 H ASP 9 H ASP 9 -6.639 -6.535 -6.161 76 HA ASP 9 HA ASP 9 -5.420 -8.950 -6.994 77 HB2 ASP 9 2HB ASP 9 -6.393 -6.964 -8.378 78 HB3 ASP 9 3HB ASP 9 -4.774 -6.313 -8.302 79 H ALA 10 H ALA 10 -3.939 -5.930 -5.904 80 HA ALA 10 HA ALA 10 -1.195 -6.699 -6.129 81 HB1 ALA 10 1HB ALA 10 -2.588 -4.567 -4.459 82 HB2 ALA 10 2HB ALA 10 -0.854 -4.636 -4.780 83 HB3 ALA 10 3HB ALA 10 -1.987 -4.370 -6.121 84 H GLY 11 H GLY 11 -3.452 -7.985 -3.944 85 HA2 GLY 11 2HA GLY 11 -3.185 -9.335 -2.132 86 HA3 GLY 11 3HA GLY 11 -1.452 -9.402 -2.475 87 H TYR 12 H TYR 12 -3.305 -6.438 -1.631 88 HA TYR 12 HA TYR 12 -1.457 -5.850 0.478 89 HB2 TYR 12 2HB TYR 12 -2.222 -3.802 0.393 90 HB3 TYR 12 3HB TYR 12 -3.148 -4.280 -1.000 91 HD1 TYR 12 HD1 TYR 12 -5.538 -5.535 -0.207 92 HD2 TYR 12 HD2 TYR 12 -3.315 -2.591 2.031 93 HE1 TYR 12 HE1 TYR 12 -7.616 -4.877 0.991 94 HE2 TYR 12 HE2 TYR 12 -5.391 -1.952 3.246 95 HH TYR 12 HH TYR 12 -7.605 -2.338 3.525 96 H GLN 13 H GLN 13 -1.922 -5.422 2.666 97 HA GLN 13 HA GLN 13 -4.034 -7.080 3.947 98 HB2 GLN 13 2HB GLN 13 -2.211 -7.450 5.789 99 HB3 GLN 13 3HB GLN 13 -2.297 -8.485 4.380 100 HG2 GLN 13 2HG GLN 13 -0.435 -7.185 3.301 101 HG3 GLN 13 3HG GLN 13 -0.302 -6.210 4.774 102 HE21 GLN 13 1HE2 GLN 13 1.600 -6.664 5.525 103 HE22 GLN 13 2HE2 GLN 13 2.155 -8.308 5.828 104 H GLU 14 H GLU 14 -4.654 -6.364 6.079 105 HA GLU 14 HA GLU 14 -4.901 -3.476 6.163 106 HB2 GLU 14 2HB GLU 14 -6.453 -3.856 7.913 107 HB3 GLU 14 3HB GLU 14 -6.625 -5.229 6.809 108 HG2 GLU 14 2HG GLU 14 -4.896 -6.418 8.354 109 HG3 GLU 14 3HG GLU 14 -5.234 -5.137 9.511 110 H SER 15 H SER 15 -2.278 -5.233 7.080 111 HA SER 15 HA SER 15 -1.292 -3.126 8.755 112 HB2 SER 15 2HB SER 15 -0.494 -4.999 10.508 113 HB3 SER 15 3HB SER 15 -1.953 -4.047 10.691 114 HG SER 15 HG SER 15 -2.665 -6.041 10.991 115 HA PRO 16 HA PRO 16 2.405 -3.587 6.775 116 HB2 PRO 16 2HB PRO 16 3.842 -3.531 9.437 117 HB3 PRO 16 3HB PRO 16 4.175 -2.570 7.967 118 HG2 PRO 16 2HG PRO 16 2.799 -1.470 10.016 119 HG3 PRO 16 3HG PRO 16 2.224 -1.212 8.337 120 HD2 PRO 16 2HD PRO 16 1.151 -3.143 10.392 121 HD3 PRO 16 3HD PRO 16 0.312 -2.086 9.235 122 H ASN 17 H ASN 17 4.293 -4.768 6.207 123 HA ASN 17 HA ASN 17 4.367 -7.599 7.149 124 HB2 ASN 17 2HB ASN 17 3.897 -7.199 4.765 125 HB3 ASN 17 3HB ASN 17 5.384 -6.300 4.595 126 HD21 ASN 17 1HD2 ASN 17 4.725 -8.474 2.988 127 HD22 ASN 17 2HD2 ASN 17 5.794 -9.808 3.350 128 H GLY 18 H GLY 18 5.397 -6.848 9.116 129 HA2 GLY 18 2HA GLY 18 7.258 -6.673 10.482 130 HA3 GLY 18 3HA GLY 18 8.234 -7.234 9.123 131 H ALA 19 H ALA 19 9.529 -5.788 8.086 132 HA ALA 19 HA ALA 19 9.676 -3.026 9.084 133 HB1 ALA 19 1HB ALA 19 11.842 -3.026 7.927 134 HB2 ALA 19 2HB ALA 19 11.686 -4.446 8.975 135 HB3 ALA 19 3HB ALA 19 11.484 -4.613 7.213 136 H LYS 20 H LYS 20 8.153 -4.509 6.339 137 HA LYS 20 HA LYS 20 8.305 -1.963 4.789 138 HB2 LYS 20 2HB LYS 20 7.199 -4.576 3.777 139 HB3 LYS 20 3HB LYS 20 7.514 -3.088 2.885 140 HG2 LYS 20 2HG LYS 20 9.421 -4.104 2.269 141 HG3 LYS 20 3HG LYS 20 10.030 -3.552 3.835 142 HD2 LYS 20 2HD LYS 20 9.138 -5.751 4.774 143 HD3 LYS 20 3HD LYS 20 8.829 -6.270 3.120 144 HE2 LYS 20 2HE LYS 20 11.213 -6.065 2.560 145 HE3 LYS 20 3HE LYS 20 11.577 -5.442 4.176 146 HZ1 LYS 20 1HZ LYS 20 12.000 -7.865 3.914 147 HZ2 LYS 20 2HZ LYS 20 10.901 -7.521 5.120 148 HZ3 LYS 20 3HZ LYS 20 10.389 -8.115 3.691 149 H ARG 21 H ARG 21 6.684 -0.700 4.506 150 HA ARG 21 HA ARG 21 3.862 -1.436 5.053 151 HB2 ARG 21 2HB ARG 21 3.844 -0.427 7.017 152 HB3 ARG 21 3HB ARG 21 5.509 0.079 6.890 153 HG2 ARG 21 2HG ARG 21 4.848 2.189 5.858 154 HG3 ARG 21 3HG ARG 21 3.134 1.723 5.873 155 HD2 ARG 21 2HD ARG 21 3.536 1.386 8.455 156 HD3 ARG 21 3HD ARG 21 4.958 2.412 8.175 157 HE ARG 21 HE ARG 21 2.405 3.395 7.063 158 HH11 ARG 21 1HH1 ARG 21 4.439 3.615 9.968 159 HH12 ARG 21 2HH1 ARG 21 3.548 5.025 10.477 160 HH21 ARG 21 1HH2 ARG 21 1.421 5.114 7.839 161 HH22 ARG 21 2HH2 ARG 21 1.976 5.879 9.326 162 H CYS 22 H CYS 22 2.371 0.155 4.191 163 HA CYS 22 HA CYS 22 3.080 1.624 1.804 164 HB2 CYS 22 2HB CYS 22 0.669 1.844 3.650 165 HB3 CYS 22 3HB CYS 22 0.834 2.600 2.060 166 H GLY 23 H GLY 23 1.552 3.825 3.837 167 HA2 GLY 23 2HA GLY 23 2.059 5.838 4.782 168 HA3 GLY 23 3HA GLY 23 3.456 4.983 5.422 169 H THR 24 H THR 24 5.065 4.732 3.370 170 HA THR 24 HA THR 24 5.334 7.078 1.600 171 HB THR 24 HB THR 24 7.806 7.065 1.903 172 HG1 THR 24 HG1 THR 24 8.660 6.103 3.682 173 HG21 THR 24 1HG2 THR 24 7.901 8.370 3.951 174 HG22 THR 24 2HG2 THR 24 6.420 8.778 3.074 175 HG23 THR 24 3HG2 THR 24 6.345 7.717 4.499 176 H CYS 25 H CYS 25 6.201 3.707 2.453 177 HA CYS 25 HA CYS 25 7.005 1.927 1.296 178 HB2 CYS 25 2HB CYS 25 4.790 1.728 0.640 179 HB3 CYS 25 3HB CYS 25 4.852 3.054 -0.476 180 H ARG 26 H ARG 26 7.317 1.734 -1.578 181 HA ARG 26 HA ARG 26 9.423 3.805 -2.185 182 HB2 ARG 26 2HB ARG 26 8.744 1.209 -3.610 183 HB3 ARG 26 3HB ARG 26 9.852 2.438 -4.221 184 HG2 ARG 26 2HG ARG 26 10.217 0.672 -1.768 185 HG3 ARG 26 3HG ARG 26 11.127 0.656 -3.269 186 HD2 ARG 26 2HD ARG 26 12.629 1.783 -1.993 187 HD3 ARG 26 3HD ARG 26 11.740 3.157 -2.616 188 HE ARG 26 HE ARG 26 10.696 3.455 -0.470 189 HH11 ARG 26 1HH1 ARG 26 12.795 0.605 -0.329 190 HH12 ARG 26 2HH1 ARG 26 12.660 0.562 1.414 191 HH21 ARG 26 1HH2 ARG 26 10.842 3.423 1.699 192 HH22 ARG 26 2HH2 ARG 26 11.462 2.000 2.520 193 H GLN 27 H GLN 27 6.109 2.959 -2.702 194 HA GLN 27 HA GLN 27 5.766 5.300 -4.493 195 HB2 GLN 27 2HB GLN 27 5.278 2.406 -5.180 196 HB3 GLN 27 3HB GLN 27 4.305 3.645 -5.956 197 HG2 GLN 27 2HG GLN 27 7.319 3.402 -6.180 198 HG3 GLN 27 3HG GLN 27 6.127 2.926 -7.369 199 HE21 GLN 27 1HE2 GLN 27 7.651 5.760 -5.836 200 HE22 GLN 27 2HE2 GLN 27 7.061 6.897 -7.074 201 H PHE 28 H PHE 28 4.909 4.902 -1.676 202 HA PHE 28 HA PHE 28 1.972 4.765 -1.800 203 HB2 PHE 28 2HB PHE 28 3.221 4.322 0.323 204 HB3 PHE 28 3HB PHE 28 3.778 5.992 0.288 205 HD1 PHE 28 HD1 PHE 28 0.601 3.990 0.370 206 HD2 PHE 28 HD2 PHE 28 2.576 7.694 1.351 207 HE1 PHE 28 HE1 PHE 28 -1.353 4.677 1.726 208 HE2 PHE 28 HE2 PHE 28 0.623 8.374 2.715 209 HZ PHE 28 HZ PHE 28 -1.350 6.880 2.896 210 H ARG 29 H ARG 29 0.546 6.577 -1.569 211 HA ARG 29 HA ARG 29 1.629 9.205 -2.465 212 HB2 ARG 29 2HB ARG 29 0.452 7.993 -4.267 213 HB3 ARG 29 3HB ARG 29 -0.974 7.860 -3.272 214 HG2 ARG 29 2HG ARG 29 -1.217 9.602 -4.908 215 HG3 ARG 29 3HG ARG 29 -1.253 10.289 -3.278 216 HD2 ARG 29 2HD ARG 29 1.162 10.943 -3.550 217 HD3 ARG 29 3HD ARG 29 1.120 10.313 -5.206 218 HE ARG 29 HE ARG 29 -0.941 12.071 -5.261 219 HH11 ARG 29 1HH1 ARG 29 2.399 12.545 -4.189 220 HH12 ARG 29 2HH1 ARG 29 2.326 14.260 -4.475 221 HH21 ARG 29 1HH2 ARG 29 -1.001 14.265 -5.439 222 HH22 ARG 29 2HH2 ARG 29 0.471 15.192 -5.215 223 HA PRO 30 HA PRO 30 -0.431 10.033 1.518 224 HB2 PRO 30 2HB PRO 30 0.660 12.499 2.053 225 HB3 PRO 30 3HB PRO 30 1.521 10.953 2.322 226 HG2 PRO 30 2HG PRO 30 1.717 12.800 -0.077 227 HG3 PRO 30 3HG PRO 30 3.051 12.065 0.864 228 HD2 PRO 30 2HD PRO 30 2.157 10.995 -1.467 229 HD3 PRO 30 3HD PRO 30 2.686 9.939 -0.126 230 HA PRO 31 HA PRO 31 -1.519 11.521 3.096 231 HB2 PRO 31 2HB PRO 31 -4.091 11.749 3.947 232 HB3 PRO 31 3HB PRO 31 -3.073 13.164 3.544 233 HG2 PRO 31 2HG PRO 31 -5.118 11.786 1.770 234 HG3 PRO 31 3HG PRO 31 -4.957 13.538 2.120 235 HD2 PRO 31 2HD PRO 31 -3.877 12.417 -0.122 236 HD3 PRO 31 3HD PRO 31 -3.055 13.739 0.750 237 H SER 32 H SER 32 -3.891 9.833 0.965 238 HA SER 32 HA SER 32 -3.553 7.331 2.531 239 HB2 SER 32 2HB SER 32 -5.994 7.151 2.870 240 HB3 SER 32 3HB SER 32 -5.288 8.527 3.725 241 HG SER 32 HG SER 32 -6.599 8.625 1.209 242 H SER 33 H SER 33 -2.561 7.601 -0.012 243 HA SER 33 HA SER 33 -4.312 5.805 -1.621 244 HB2 SER 33 2HB SER 33 -3.157 8.490 -2.483 245 HB3 SER 33 3HB SER 33 -3.704 7.250 -3.628 246 HG SER 33 HG SER 33 -5.177 8.682 -1.702 247 H CYS 34 H CYS 34 -3.079 4.963 -3.592 248 HA CYS 34 HA CYS 34 -0.132 4.797 -3.072 249 HB2 CYS 34 2HB CYS 34 -1.390 2.732 -2.497 250 HB3 CYS 34 3HB CYS 34 -1.947 2.639 -4.176 251 H ILE 35 H ILE 35 1.220 4.569 -4.898 252 HA ILE 35 HA ILE 35 0.183 5.786 -7.428 253 HB ILE 35 HB ILE 35 3.098 5.329 -6.753 254 HG12 ILE 35 2HG1 ILE 35 1.538 7.916 -6.358 255 HG13 ILE 35 3HG1 ILE 35 2.157 6.881 -5.063 256 HG21 ILE 35 1HG2 ILE 35 3.471 6.932 -8.583 257 HG22 ILE 35 2HG2 ILE 35 2.494 5.600 -9.157 258 HG23 ILE 35 3HG2 ILE 35 1.720 7.154 -8.776 259 HD11 ILE 35 1HD1 ILE 35 4.481 7.269 -5.859 260 HD12 ILE 35 2HD1 ILE 35 3.844 8.476 -7.006 261 HD13 ILE 35 3HD1 ILE 35 3.644 8.716 -5.267 262 H THR 36 H THR 36 1.809 2.900 -6.070 263 HA THR 36 HA THR 36 1.845 1.468 -8.614 264 HB THR 36 HB THR 36 2.271 -0.403 -6.576 265 HG1 THR 36 HG1 THR 36 2.752 0.789 -4.909 266 HG21 THR 36 1HG2 THR 36 4.304 1.357 -7.998 267 HG22 THR 36 2HG2 THR 36 4.631 -0.190 -7.190 268 HG23 THR 36 3HG2 THR 36 3.603 -0.150 -8.639 269 H VAL 37 H VAL 37 -0.323 1.714 -5.905 270 HA VAL 37 HA VAL 37 -2.136 -0.396 -7.028 271 HB VAL 37 HB VAL 37 -1.489 0.281 -4.118 272 HG11 VAL 37 1HG1 VAL 37 -3.260 -1.907 -5.250 273 HG12 VAL 37 2HG1 VAL 37 -2.638 -1.842 -3.579 274 HG13 VAL 37 3HG1 VAL 37 -3.729 -0.593 -4.121 275 HG21 VAL 37 1HG2 VAL 37 0.390 -0.905 -5.127 276 HG22 VAL 37 2HG2 VAL 37 -0.468 -2.006 -4.085 277 HG23 VAL 37 3HG2 VAL 37 -0.704 -2.108 -5.848 278 H GLU 38 H GLU 38 -4.417 -0.082 -6.005 279 HA GLU 38 HA GLU 38 -5.612 2.235 -6.951 280 HB2 GLU 38 2HB GLU 38 -6.392 -0.164 -5.446 281 HB3 GLU 38 3HB GLU 38 -7.378 1.206 -4.975 282 HG2 GLU 38 2HG GLU 38 -6.918 0.422 -7.863 283 HG3 GLU 38 3HG GLU 38 -8.250 -0.185 -6.883 284 H SER 39 H SER 39 -7.187 3.614 -5.847 285 HA SER 39 HA SER 39 -6.251 4.868 -3.310 286 HB2 SER 39 2HB SER 39 -5.135 6.123 -4.981 287 HB3 SER 39 3HB SER 39 -6.552 6.080 -6.036 288 HG SER 39 HG SER 39 -6.119 7.639 -3.717 289 HA PRO 40 HA PRO 40 -7.125 6.118 -1.641 290 HB2 PRO 40 2HB PRO 40 -9.414 5.393 0.151 291 HB3 PRO 40 3HB PRO 40 -8.363 6.843 0.178 292 HG2 PRO 40 2HG PRO 40 -10.890 7.013 -0.776 293 HG3 PRO 40 3HG PRO 40 -9.548 7.826 -1.656 294 HD2 PRO 40 2HD PRO 40 -10.754 5.089 -2.211 295 HD3 PRO 40 3HD PRO 40 -10.511 6.446 -3.346 296 H ILE 41 H ILE 41 -6.247 5.045 0.287 297 HA ILE 41 HA ILE 41 -6.462 2.101 0.466 298 HB ILE 41 HB ILE 41 -4.770 3.232 -1.344 299 HG12 ILE 41 2HG1 ILE 41 -5.208 0.935 -1.416 300 HG13 ILE 41 3HG1 ILE 41 -3.482 1.204 -1.465 301 HG21 ILE 41 1HG2 ILE 41 -2.872 2.776 0.949 302 HG22 ILE 41 2HG2 ILE 41 -2.522 3.339 -0.669 303 HG23 ILE 41 3HG2 ILE 41 -3.444 4.377 0.431 304 HD11 ILE 41 1HD1 ILE 41 -5.078 0.125 0.891 305 HD12 ILE 41 2HD1 ILE 41 -3.938 -0.749 -0.137 306 HD13 ILE 41 3HD1 ILE 41 -3.332 0.505 0.949 307 H SER 42 H SER 42 -4.703 1.352 2.194 308 HA SER 42 HA SER 42 -4.978 2.983 4.645 309 HB2 SER 42 2HB SER 42 -5.343 0.643 4.927 310 HB3 SER 42 3HB SER 42 -3.806 0.239 4.128 311 HG SER 42 HG SER 42 -4.275 1.421 6.664 312 H GLU 43 H GLU 43 -3.351 4.181 5.531 313 HA GLU 43 HA GLU 43 -0.808 4.429 4.122 314 HB2 GLU 43 2HB GLU 43 -0.249 6.084 5.652 315 HB3 GLU 43 3HB GLU 43 -1.923 6.364 5.181 316 HG2 GLU 43 2HG GLU 43 -2.763 5.402 7.238 317 HG3 GLU 43 3HG GLU 43 -1.138 4.952 7.743 318 H ASN 44 H ASN 44 -1.758 2.008 6.191 319 HA ASN 44 HA ASN 44 0.983 1.550 7.252 320 HB2 ASN 44 2HB ASN 44 -1.840 1.100 8.180 321 HB3 ASN 44 3HB ASN 44 -0.733 -0.199 8.453 322 HD21 ASN 44 1HD2 ASN 44 -1.359 0.207 10.568 323 HD22 ASN 44 2HD2 ASN 44 -0.406 1.370 11.489 324 H GLY 45 H GLY 45 -1.799 -0.264 5.941 325 HA2 GLY 45 2HA GLY 45 -1.937 -2.054 4.503 326 HA3 GLY 45 3HA GLY 45 -1.067 -0.905 3.527 327 H TRP 46 H TRP 46 0.837 -1.386 2.803 328 HA TRP 46 HA TRP 46 2.511 -2.580 1.948 329 HB2 TRP 46 2HB TRP 46 3.279 -3.409 4.144 330 HB3 TRP 46 3HB TRP 46 2.162 -4.753 3.976 331 HD1 TRP 46 HD1 TRP 46 5.299 -3.312 2.305 332 HE1 TRP 46 HE1 TRP 46 6.482 -5.166 0.944 333 HE3 TRP 46 HE3 TRP 46 1.737 -6.950 2.599 334 HZ2 TRP 46 HZ2 TRP 46 5.997 -7.898 0.224 335 HZ3 TRP 46 HZ3 TRP 46 2.043 -9.105 1.406 336 HH2 TRP 46 HH2 TRP 46 4.172 -9.585 0.210 337 H CYS 47 H CYS 47 2.499 -3.718 0.123 338 HA CYS 47 HA CYS 47 0.571 -5.929 -0.302 339 HB2 CYS 47 2HB CYS 47 -0.216 -4.969 -2.355 340 HB3 CYS 47 3HB CYS 47 -0.196 -3.595 -1.233 341 H ARG 48 H ARG 48 1.032 -6.986 -2.470 342 HA ARG 48 HA ARG 48 3.860 -7.788 -2.604 343 HB2 ARG 48 2HB ARG 48 1.442 -8.796 -4.151 344 HB3 ARG 48 3HB ARG 48 3.068 -9.482 -4.199 345 HG2 ARG 48 2HG ARG 48 2.941 -9.946 -1.746 346 HG3 ARG 48 3HG ARG 48 1.291 -9.317 -1.724 347 HD2 ARG 48 2HD ARG 48 1.084 -11.674 -1.800 348 HD3 ARG 48 3HD ARG 48 0.640 -11.066 -3.389 349 HE ARG 48 HE ARG 48 2.457 -12.187 -4.333 350 HH11 ARG 48 1HH1 ARG 48 2.989 -12.225 -0.828 351 HH12 ARG 48 2HH1 ARG 48 4.307 -13.357 -0.983 352 HH21 ARG 48 1HH2 ARG 48 3.923 -13.763 -4.379 353 HH22 ARG 48 2HH2 ARG 48 4.908 -14.145 -2.983 354 H LEU 49 H LEU 49 2.289 -5.154 -3.900 355 HA LEU 49 HA LEU 49 3.749 -5.238 -6.505 356 HB2 LEU 49 2HB LEU 49 1.142 -4.128 -5.605 357 HB3 LEU 49 3HB LEU 49 2.046 -3.075 -6.651 358 HG LEU 49 HG LEU 49 0.383 -4.567 -7.787 359 HD11 LEU 49 1HD1 LEU 49 3.269 -4.865 -8.721 360 HD12 LEU 49 2HD1 LEU 49 1.809 -5.058 -9.715 361 HD13 LEU 49 3HD1 LEU 49 2.206 -3.475 -9.028 362 HD21 LEU 49 1HD2 LEU 49 0.838 -6.864 -8.236 363 HD22 LEU 49 2HD2 LEU 49 2.424 -6.800 -7.449 364 HD23 LEU 49 3HD2 LEU 49 0.953 -6.670 -6.475 365 H TYR 50 H TYR 50 4.024 -3.838 -3.457 366 HA TYR 50 HA TYR 50 5.339 -1.542 -3.390 367 HB2 TYR 50 2HB TYR 50 5.256 -3.348 -1.681 368 HB3 TYR 50 3HB TYR 50 6.492 -4.224 -2.561 369 HD1 TYR 50 HD1 TYR 50 8.860 -3.476 -2.538 370 HD2 TYR 50 HD2 TYR 50 5.798 -1.486 -0.239 371 HE1 TYR 50 HE1 TYR 50 10.600 -2.574 -1.000 372 HE2 TYR 50 HE2 TYR 50 7.544 -0.591 1.302 373 HH TYR 50 HH TYR 50 11.003 -1.440 0.935 374 H ALA 51 H ALA 51 6.779 -0.442 -4.582 375 HA ALA 51 HA ALA 51 7.728 -1.587 -6.979 376 HB1 ALA 51 1HB ALA 51 8.519 0.627 -7.535 377 HB2 ALA 51 2HB ALA 51 6.939 0.722 -6.745 378 HB3 ALA 51 3HB ALA 51 8.415 1.137 -5.840 379 H GLY 52 H GLY 52 9.742 -1.817 -7.910 380 HA2 GLY 52 2HA GLY 52 11.706 -3.165 -6.399 381 HA3 GLY 52 3HA GLY 52 11.793 -2.671 -8.096 382 H LYS 53 H LYS 53 11.442 -0.032 -6.219 383 HA LYS 53 HA LYS 53 14.086 1.081 -6.745 384 HB2 LYS 53 2HB LYS 53 11.470 2.052 -5.637 385 HB3 LYS 53 3HB LYS 53 12.887 3.008 -5.275 386 HG2 LYS 53 2HG LYS 53 11.716 3.862 -7.197 387 HG3 LYS 53 3HG LYS 53 13.371 3.394 -7.581 388 HD2 LYS 53 2HD LYS 53 12.592 1.369 -8.715 389 HD3 LYS 53 3HD LYS 53 10.914 1.700 -8.223 390 HE2 LYS 53 2HE LYS 53 10.917 3.804 -9.492 391 HE3 LYS 53 3HE LYS 53 12.617 3.583 -9.918 392 HZ1 LYS 53 1HZ LYS 53 10.439 1.738 -10.755 393 HZ2 LYS 53 2HZ LYS 53 11.081 2.928 -11.682 394 HZ3 LYS 53 3HZ LYS 53 12.029 1.665 -11.217 395 H ALA 54 H ALA 54 14.198 -1.180 -5.045 396 HA ALA 54 HA ALA 54 14.786 -2.053 -3.035 397 HB1 ALA 54 1HB ALA 54 16.782 0.220 -3.088 398 HB2 ALA 54 2HB ALA 54 16.938 -1.309 -2.207 399 HB3 ALA 54 3HB ALA 54 16.921 -1.308 -3.978 Start of MODEL 14 1 H1 VAL 1 1H VAL 1 -9.323 7.768 -18.483 2 H2 VAL 1 2H VAL 1 -8.367 9.095 -18.358 3 H3 VAL 1 3H VAL 1 -9.045 8.443 -17.012 4 HA VAL 1 HA VAL 1 -7.052 7.139 -18.753 5 HB VAL 1 HB VAL 1 -5.510 7.200 -16.851 6 HG11 VAL 1 1HG1 VAL 1 -6.431 10.007 -17.559 7 HG12 VAL 1 2HG1 VAL 1 -4.812 9.474 -17.089 8 HG13 VAL 1 3HG1 VAL 1 -5.484 8.956 -18.639 9 HG21 VAL 1 1HG2 VAL 1 -7.024 7.388 -14.944 10 HG22 VAL 1 2HG2 VAL 1 -5.884 8.735 -14.960 11 HG23 VAL 1 3HG2 VAL 1 -7.554 8.994 -15.489 12 H THR 2 H THR 2 -6.282 5.069 -18.093 13 HA THR 2 HA THR 2 -8.325 3.290 -17.136 14 HB THR 2 HB THR 2 -5.340 2.738 -17.305 15 HG1 THR 2 HG1 THR 2 -5.713 2.133 -19.371 16 HG21 THR 2 1HG2 THR 2 -6.666 0.917 -16.229 17 HG22 THR 2 2HG2 THR 2 -7.765 0.904 -17.630 18 HG23 THR 2 3HG2 THR 2 -6.072 0.423 -17.811 19 H LYS 3 H LYS 3 -8.662 2.361 -15.162 20 HA LYS 3 HA LYS 3 -7.789 3.684 -12.792 21 HB2 LYS 3 2HB LYS 3 -9.876 2.054 -13.425 22 HB3 LYS 3 3HB LYS 3 -8.816 0.845 -12.716 23 HG2 LYS 3 2HG LYS 3 -10.223 1.591 -10.974 24 HG3 LYS 3 3HG LYS 3 -8.671 2.376 -10.664 25 HD2 LYS 3 2HD LYS 3 -9.597 4.441 -11.857 26 HD3 LYS 3 3HD LYS 3 -11.149 3.614 -11.958 27 HE2 LYS 3 2HE LYS 3 -9.665 4.393 -9.412 28 HE3 LYS 3 3HE LYS 3 -11.050 5.233 -10.103 29 HZ1 LYS 3 1HZ LYS 3 -11.820 3.821 -8.373 30 HZ2 LYS 3 2HZ LYS 3 -12.340 3.124 -9.754 31 HZ3 LYS 3 3HZ LYS 3 -11.033 2.520 -8.946 32 H LYS 4 H LYS 4 -6.489 2.900 -10.992 33 HA LYS 4 HA LYS 4 -4.044 1.521 -11.704 34 HB2 LYS 4 2HB LYS 4 -5.343 2.280 -9.065 35 HB3 LYS 4 3HB LYS 4 -3.847 1.343 -9.088 36 HG2 LYS 4 2HG LYS 4 -4.014 3.791 -10.750 37 HG3 LYS 4 3HG LYS 4 -3.758 3.967 -9.001 38 HD2 LYS 4 2HD LYS 4 -1.687 2.587 -9.250 39 HD3 LYS 4 3HD LYS 4 -2.023 2.429 -10.996 40 HE2 LYS 4 2HE LYS 4 -2.168 5.029 -10.981 41 HE3 LYS 4 3HE LYS 4 -1.417 4.932 -9.397 42 HZ1 LYS 4 1HZ LYS 4 -0.293 3.967 -11.974 43 HZ2 LYS 4 2HZ LYS 4 0.258 5.228 -11.069 44 HZ3 LYS 4 3HZ LYS 4 0.429 3.686 -10.522 45 H ALA 5 H ALA 5 -3.276 -0.277 -10.532 46 HA ALA 5 HA ALA 5 -4.874 -2.709 -10.922 47 HB1 ALA 5 1HB ALA 5 -2.308 -2.296 -9.327 48 HB2 ALA 5 2HB ALA 5 -3.059 -3.860 -9.702 49 HB3 ALA 5 3HB ALA 5 -2.426 -2.846 -11.019 50 H SER 6 H SER 6 -5.966 -3.977 -9.273 51 HA SER 6 HA SER 6 -6.937 -2.239 -7.136 52 HB2 SER 6 2HB SER 6 -8.544 -3.736 -6.527 53 HB3 SER 6 3HB SER 6 -8.492 -3.762 -8.287 54 HG SER 6 HG SER 6 -8.682 -5.796 -7.072 55 H HIS 7 H HIS 7 -6.737 -2.393 -5.038 56 HA HIS 7 HA HIS 7 -4.380 -3.001 -3.636 57 HB2 HIS 7 2HB HIS 7 -6.224 -3.126 -1.717 58 HB3 HIS 7 3HB HIS 7 -5.866 -1.624 -2.536 59 HD2 HIS 7 HD2 HIS 7 -7.843 -0.329 -3.482 60 HE1 HIS 7 HE1 HIS 7 -10.583 -3.494 -4.268 61 HE2 HIS 7 HE2 HIS 7 -10.194 -0.992 -4.482 62 H LYS 8 H LYS 8 -7.237 -4.971 -3.999 63 HA LYS 8 HA LYS 8 -6.415 -7.426 -2.807 64 HB2 LYS 8 2HB LYS 8 -8.715 -6.860 -3.281 65 HB3 LYS 8 3HB LYS 8 -8.369 -6.810 -5.008 66 HG2 LYS 8 2HG LYS 8 -9.473 -8.821 -4.476 67 HG3 LYS 8 3HG LYS 8 -7.865 -9.227 -5.016 68 HD2 LYS 8 2HD LYS 8 -7.135 -9.606 -2.675 69 HD3 LYS 8 3HD LYS 8 -8.698 -9.065 -2.079 70 HE2 LYS 8 2HE LYS 8 -8.558 -11.496 -2.002 71 HE3 LYS 8 3HE LYS 8 -9.806 -11.006 -3.147 72 HZ1 LYS 8 1HZ LYS 8 -8.342 -11.511 -4.958 73 HZ2 LYS 8 2HZ LYS 8 -7.047 -11.721 -3.968 74 HZ3 LYS 8 3HZ LYS 8 -8.275 -12.810 -3.938 75 H ASP 9 H ASP 9 -6.321 -6.598 -6.295 76 HA ASP 9 HA ASP 9 -4.986 -8.945 -7.170 77 HB2 ASP 9 2HB ASP 9 -5.806 -6.566 -8.404 78 HB3 ASP 9 3HB ASP 9 -4.082 -6.526 -8.595 79 H ALA 10 H ALA 10 -3.545 -5.942 -5.877 80 HA ALA 10 HA ALA 10 -0.805 -6.941 -6.050 81 HB1 ALA 10 1HB ALA 10 -1.992 -4.570 -4.571 82 HB2 ALA 10 2HB ALA 10 -0.268 -4.837 -4.910 83 HB3 ALA 10 3HB ALA 10 -1.396 -4.549 -6.250 84 H GLY 11 H GLY 11 -3.293 -7.830 -3.985 85 HA2 GLY 11 2HA GLY 11 -3.330 -9.172 -2.206 86 HA3 GLY 11 3HA GLY 11 -1.587 -9.430 -2.346 87 H TYR 12 H TYR 12 -3.356 -6.404 -1.671 88 HA TYR 12 HA TYR 12 -1.747 -5.720 0.520 89 HB2 TYR 12 2HB TYR 12 -2.880 -3.769 0.627 90 HB3 TYR 12 3HB TYR 12 -3.172 -4.219 -1.033 91 HD1 TYR 12 HD1 TYR 12 -5.479 -6.206 -0.686 92 HD2 TYR 12 HD2 TYR 12 -4.661 -2.427 1.232 93 HE1 TYR 12 HE1 TYR 12 -7.912 -5.870 -0.316 94 HE2 TYR 12 HE2 TYR 12 -7.103 -2.101 1.600 95 HH TYR 12 HH TYR 12 -9.531 -4.292 0.246 96 H GLN 13 H GLN 13 -2.438 -5.060 2.674 97 HA GLN 13 HA GLN 13 -4.591 -6.649 3.951 98 HB2 GLN 13 2HB GLN 13 -2.985 -7.255 5.823 99 HB3 GLN 13 3HB GLN 13 -2.789 -8.110 4.309 100 HG2 GLN 13 2HG GLN 13 -0.841 -6.729 3.707 101 HG3 GLN 13 3HG GLN 13 -1.058 -5.786 5.186 102 HE21 GLN 13 1HE2 GLN 13 0.979 -6.201 5.923 103 HE22 GLN 13 2HE2 GLN 13 1.224 -7.738 6.733 104 H GLU 14 H GLU 14 -4.625 -5.969 6.432 105 HA GLU 14 HA GLU 14 -5.041 -3.080 6.500 106 HB2 GLU 14 2HB GLU 14 -6.006 -3.433 8.649 107 HB3 GLU 14 3HB GLU 14 -6.552 -4.712 7.565 108 HG2 GLU 14 2HG GLU 14 -4.839 -6.248 8.586 109 HG3 GLU 14 3HG GLU 14 -4.419 -4.968 9.733 110 H SER 15 H SER 15 -2.239 -4.865 6.975 111 HA SER 15 HA SER 15 -1.040 -2.856 8.813 112 HB2 SER 15 2HB SER 15 0.022 -4.942 9.943 113 HB3 SER 15 3HB SER 15 -1.654 -4.558 10.268 114 HG SER 15 HG SER 15 -1.448 -6.723 9.838 115 HA PRO 16 HA PRO 16 2.901 -3.369 6.748 116 HB2 PRO 16 2HB PRO 16 4.230 -3.654 9.376 117 HB3 PRO 16 3HB PRO 16 4.513 -2.441 8.121 118 HG2 PRO 16 2HG PRO 16 3.228 -1.845 10.486 119 HG3 PRO 16 3HG PRO 16 2.800 -1.046 8.944 120 HD2 PRO 16 2HD PRO 16 1.367 -3.323 10.326 121 HD3 PRO 16 3HD PRO 16 0.719 -1.898 9.476 122 H ASN 17 H ASN 17 4.453 -4.982 6.325 123 HA ASN 17 HA ASN 17 4.105 -7.696 7.558 124 HB2 ASN 17 2HB ASN 17 3.330 -7.747 5.284 125 HB3 ASN 17 3HB ASN 17 4.667 -6.792 4.715 126 HD21 ASN 17 1HD2 ASN 17 4.600 -8.771 3.161 127 HD22 ASN 17 2HD2 ASN 17 5.647 -10.108 3.641 128 H GLY 18 H GLY 18 5.731 -7.844 9.034 129 HA2 GLY 18 2HA GLY 18 7.879 -8.071 9.837 130 HA3 GLY 18 3HA GLY 18 8.418 -8.079 8.157 131 H ALA 19 H ALA 19 9.388 -6.274 7.327 132 HA ALA 19 HA ALA 19 9.656 -3.830 9.032 133 HB1 ALA 19 1HB ALA 19 11.478 -4.884 6.828 134 HB2 ALA 19 2HB ALA 19 11.774 -3.477 7.869 135 HB3 ALA 19 3HB ALA 19 11.746 -5.103 8.568 136 H LYS 20 H LYS 20 7.866 -4.833 6.319 137 HA LYS 20 HA LYS 20 8.201 -2.230 4.868 138 HB2 LYS 20 2HB LYS 20 6.979 -4.833 3.888 139 HB3 LYS 20 3HB LYS 20 7.281 -3.379 2.943 140 HG2 LYS 20 2HG LYS 20 9.288 -4.153 2.365 141 HG3 LYS 20 3HG LYS 20 9.810 -4.087 4.047 142 HD2 LYS 20 2HD LYS 20 8.859 -6.397 4.387 143 HD3 LYS 20 3HD LYS 20 8.389 -6.425 2.690 144 HE2 LYS 20 2HE LYS 20 10.421 -7.669 2.873 145 HE3 LYS 20 3HE LYS 20 10.795 -6.164 2.029 146 HZ1 LYS 20 1HZ LYS 20 12.445 -6.669 3.745 147 HZ2 LYS 20 2HZ LYS 20 11.693 -5.285 4.103 148 HZ3 LYS 20 3HZ LYS 20 11.285 -6.683 4.918 149 H ARG 21 H ARG 21 6.568 -0.842 4.703 150 HA ARG 21 HA ARG 21 3.752 -1.734 5.106 151 HB2 ARG 21 2HB ARG 21 3.275 -0.383 6.769 152 HB3 ARG 21 3HB ARG 21 4.977 -0.434 7.112 153 HG2 ARG 21 2HG ARG 21 5.217 1.803 5.922 154 HG3 ARG 21 3HG ARG 21 3.451 1.817 5.755 155 HD2 ARG 21 2HD ARG 21 3.345 1.381 8.289 156 HD3 ARG 21 3HD ARG 21 5.043 1.812 8.341 157 HE ARG 21 HE ARG 21 2.729 3.561 7.590 158 HH11 ARG 21 1HH1 ARG 21 6.224 3.520 8.104 159 HH12 ARG 21 2HH1 ARG 21 6.246 5.245 8.388 160 HH21 ARG 21 1HH2 ARG 21 2.839 5.629 8.445 161 HH22 ARG 21 2HH2 ARG 21 4.394 6.380 8.596 162 H CYS 22 H CYS 22 2.218 0.170 4.289 163 HA CYS 22 HA CYS 22 3.077 1.288 1.762 164 HB2 CYS 22 2HB CYS 22 0.811 2.116 3.616 165 HB3 CYS 22 3HB CYS 22 1.086 2.728 1.969 166 H GLY 23 H GLY 23 2.119 3.952 3.649 167 HA2 GLY 23 2HA GLY 23 3.230 5.909 4.246 168 HA3 GLY 23 3HA GLY 23 4.076 4.749 5.256 169 H THR 24 H THR 24 6.196 4.165 4.748 170 HA THR 24 HA THR 24 7.864 5.982 3.196 171 HB THR 24 HB THR 24 9.676 4.443 4.112 172 HG1 THR 24 HG1 THR 24 8.921 3.029 5.763 173 HG21 THR 24 1HG2 THR 24 9.478 5.192 6.411 174 HG22 THR 24 2HG2 THR 24 8.923 6.488 5.342 175 HG23 THR 24 3HG2 THR 24 7.740 5.498 6.219 176 H CYS 25 H CYS 25 6.053 3.462 2.113 177 HA CYS 25 HA CYS 25 7.576 1.593 0.883 178 HB2 CYS 25 2HB CYS 25 5.157 1.503 1.045 179 HB3 CYS 25 3HB CYS 25 4.963 2.839 -0.088 180 H ARG 26 H ARG 26 7.343 4.821 -0.345 181 HA ARG 26 HA ARG 26 8.031 5.936 -2.151 182 HB2 ARG 26 2HB ARG 26 9.568 3.525 -3.184 183 HB3 ARG 26 3HB ARG 26 9.717 5.215 -3.651 184 HG2 ARG 26 2HG ARG 26 10.019 5.409 -0.938 185 HG3 ARG 26 3HG ARG 26 10.711 3.815 -1.207 186 HD2 ARG 26 2HD ARG 26 12.376 4.634 -2.698 187 HD3 ARG 26 3HD ARG 26 11.546 6.178 -2.914 188 HE ARG 26 HE ARG 26 12.343 5.637 -0.144 189 HH11 ARG 26 1HH1 ARG 26 13.464 7.261 -3.061 190 HH12 ARG 26 2HH1 ARG 26 14.142 8.583 -2.124 191 HH21 ARG 26 1HH2 ARG 26 13.693 6.937 0.838 192 HH22 ARG 26 2HH2 ARG 26 14.203 8.442 0.108 193 H GLN 27 H GLN 27 6.160 3.123 -2.497 194 HA GLN 27 HA GLN 27 4.939 4.309 -4.949 195 HB2 GLN 27 2HB GLN 27 4.425 1.733 -3.460 196 HB3 GLN 27 3HB GLN 27 3.488 2.275 -4.850 197 HG2 GLN 27 2HG GLN 27 6.502 1.764 -4.911 198 HG3 GLN 27 3HG GLN 27 5.292 0.571 -5.350 199 HE21 GLN 27 1HE2 GLN 27 3.649 1.368 -7.082 200 HE22 GLN 27 2HE2 GLN 27 4.401 2.216 -8.438 201 H PHE 28 H PHE 28 4.621 4.518 -1.492 202 HA PHE 28 HA PHE 28 1.761 4.969 -1.450 203 HB2 PHE 28 2HB PHE 28 3.103 4.329 0.580 204 HB3 PHE 28 3HB PHE 28 3.869 5.904 0.508 205 HD1 PHE 28 HD1 PHE 28 0.367 4.469 0.464 206 HD2 PHE 28 HD2 PHE 28 2.989 7.575 1.917 207 HE1 PHE 28 HE1 PHE 28 -1.517 5.481 1.714 208 HE2 PHE 28 HE2 PHE 28 1.104 8.566 3.189 209 HZ PHE 28 HZ PHE 28 -1.158 7.529 3.076 210 H ARG 29 H ARG 29 0.617 6.932 -1.250 211 HA ARG 29 HA ARG 29 2.027 9.465 -1.907 212 HB2 ARG 29 2HB ARG 29 1.393 8.336 -4.015 213 HB3 ARG 29 3HB ARG 29 -0.270 8.218 -3.460 214 HG2 ARG 29 2HG ARG 29 -0.175 9.994 -4.981 215 HG3 ARG 29 3HG ARG 29 -0.373 10.705 -3.376 216 HD2 ARG 29 2HD ARG 29 2.144 11.144 -3.364 217 HD3 ARG 29 3HD ARG 29 2.198 10.493 -5.012 218 HE ARG 29 HE ARG 29 0.304 12.720 -4.565 219 HH11 ARG 29 1HH1 ARG 29 3.704 12.141 -5.472 220 HH12 ARG 29 2HH1 ARG 29 3.786 13.753 -6.160 221 HH21 ARG 29 1HH2 ARG 29 0.582 14.614 -5.677 222 HH22 ARG 29 2HH2 ARG 29 2.169 15.091 -6.215 223 HA PRO 30 HA PRO 30 -0.824 10.155 1.478 224 HB2 PRO 30 2HB PRO 30 -0.038 12.642 2.324 225 HB3 PRO 30 3HB PRO 30 0.938 11.163 2.585 226 HG2 PRO 30 2HG PRO 30 1.211 13.213 0.361 227 HG3 PRO 30 3HG PRO 30 2.500 12.552 1.417 228 HD2 PRO 30 2HD PRO 30 2.021 11.559 -1.074 229 HD3 PRO 30 3HD PRO 30 2.495 10.479 0.273 230 HA PRO 31 HA PRO 31 -2.140 11.279 3.022 231 HB2 PRO 31 2HB PRO 31 -4.739 11.594 3.715 232 HB3 PRO 31 3HB PRO 31 -3.615 12.979 3.574 233 HG2 PRO 31 2HG PRO 31 -5.585 11.958 1.490 234 HG3 PRO 31 3HG PRO 31 -5.391 13.635 2.092 235 HD2 PRO 31 2HD PRO 31 -4.168 12.817 -0.194 236 HD3 PRO 31 3HD PRO 31 -3.358 13.916 0.939 237 H SER 32 H SER 32 -4.199 10.094 0.368 238 HA SER 32 HA SER 32 -4.316 7.407 1.567 239 HB2 SER 32 2HB SER 32 -6.245 8.763 2.506 240 HB3 SER 32 3HB SER 32 -6.899 8.833 0.869 241 HG SER 32 HG SER 32 -6.168 6.356 2.045 242 H SER 33 H SER 33 -2.816 7.992 -0.563 243 HA SER 33 HA SER 33 -4.175 6.570 -2.788 244 HB2 SER 33 2HB SER 33 -2.475 9.071 -3.053 245 HB3 SER 33 3HB SER 33 -2.912 8.002 -4.394 246 HG SER 33 HG SER 33 -4.571 9.602 -2.777 247 H CYS 34 H CYS 34 -2.702 5.614 -4.287 248 HA CYS 34 HA CYS 34 0.120 5.188 -3.476 249 HB2 CYS 34 2HB CYS 34 -1.191 3.352 -2.501 250 HB3 CYS 34 3HB CYS 34 -1.908 2.997 -4.074 251 H ILE 35 H ILE 35 1.382 4.363 -5.135 252 HA ILE 35 HA ILE 35 0.682 5.188 -7.913 253 HB ILE 35 HB ILE 35 3.338 4.521 -6.593 254 HG12 ILE 35 2HG1 ILE 35 2.232 7.227 -7.492 255 HG13 ILE 35 3HG1 ILE 35 2.260 6.676 -5.823 256 HG21 ILE 35 1HG2 ILE 35 3.376 4.015 -9.046 257 HG22 ILE 35 2HG2 ILE 35 2.842 5.672 -9.371 258 HG23 ILE 35 3HG2 ILE 35 4.422 5.357 -8.635 259 HD11 ILE 35 1HD1 ILE 35 4.682 7.306 -7.530 260 HD12 ILE 35 2HD1 ILE 35 4.095 8.139 -6.087 261 HD13 ILE 35 3HD1 ILE 35 4.762 6.505 -5.939 262 H THR 36 H THR 36 1.193 2.340 -5.901 263 HA THR 36 HA THR 36 1.270 0.500 -8.244 264 HB THR 36 HB THR 36 0.924 -0.108 -5.291 265 HG1 THR 36 HG1 THR 36 2.915 -0.191 -5.129 266 HG21 THR 36 1HG2 THR 36 0.153 -1.959 -6.781 267 HG22 THR 36 2HG2 THR 36 1.736 -1.959 -7.576 268 HG23 THR 36 3HG2 THR 36 1.587 -2.362 -5.841 269 H VAL 37 H VAL 37 -0.896 1.195 -5.445 270 HA VAL 37 HA VAL 37 -2.969 -0.366 -6.858 271 HB VAL 37 HB VAL 37 -3.945 -0.893 -4.755 272 HG11 VAL 37 1HG1 VAL 37 -0.947 -1.357 -4.620 273 HG12 VAL 37 2HG1 VAL 37 -2.205 -2.310 -3.849 274 HG13 VAL 37 3HG1 VAL 37 -2.095 -2.282 -5.625 275 HG21 VAL 37 1HG2 VAL 37 -3.428 1.160 -3.459 276 HG22 VAL 37 2HG2 VAL 37 -2.964 -0.326 -2.619 277 HG23 VAL 37 3HG2 VAL 37 -1.721 0.656 -3.395 278 H GLU 38 H GLU 38 -5.140 0.012 -6.586 279 HA GLU 38 HA GLU 38 -6.419 2.421 -7.016 280 HB2 GLU 38 2HB GLU 38 -7.081 -0.235 -5.768 281 HB3 GLU 38 3HB GLU 38 -8.261 1.029 -5.549 282 HG2 GLU 38 2HG GLU 38 -7.175 0.394 -8.308 283 HG3 GLU 38 3HG GLU 38 -8.482 -0.551 -7.589 284 H SER 39 H SER 39 -7.951 3.590 -5.726 285 HA SER 39 HA SER 39 -7.150 4.044 -2.885 286 HB2 SER 39 2HB SER 39 -7.875 6.397 -3.147 287 HB3 SER 39 3HB SER 39 -6.499 6.000 -4.176 288 HG SER 39 HG SER 39 -7.743 6.084 -5.939 289 HA PRO 40 HA PRO 40 -8.325 5.597 -1.160 290 HB2 PRO 40 2HB PRO 40 -9.521 4.875 1.180 291 HB3 PRO 40 3HB PRO 40 -10.223 6.085 0.065 292 HG2 PRO 40 2HG PRO 40 -10.888 3.126 0.261 293 HG3 PRO 40 3HG PRO 40 -12.024 4.516 0.250 294 HD2 PRO 40 2HD PRO 40 -11.468 3.123 -2.016 295 HD3 PRO 40 3HD PRO 40 -11.673 4.899 -2.061 296 H ILE 41 H ILE 41 -6.694 5.069 0.300 297 HA ILE 41 HA ILE 41 -6.120 2.270 1.002 298 HB ILE 41 HB ILE 41 -5.337 2.346 -1.220 299 HG12 ILE 41 2HG1 ILE 41 -3.906 1.258 0.603 300 HG13 ILE 41 3HG1 ILE 41 -3.299 1.408 -1.023 301 HG21 ILE 41 1HG2 ILE 41 -3.719 4.820 -0.557 302 HG22 ILE 41 2HG2 ILE 41 -3.595 3.862 -2.053 303 HG23 ILE 41 3HG2 ILE 41 -5.099 4.700 -1.672 304 HD11 ILE 41 1HD1 ILE 41 -1.790 3.189 -0.457 305 HD12 ILE 41 2HD1 ILE 41 -2.475 3.354 1.155 306 HD13 ILE 41 3HD1 ILE 41 -1.584 1.887 0.712 307 H SER 42 H SER 42 -4.468 2.038 2.603 308 HA SER 42 HA SER 42 -4.415 4.417 4.393 309 HB2 SER 42 2HB SER 42 -5.542 2.225 4.965 310 HB3 SER 42 3HB SER 42 -3.934 1.509 5.097 311 HG SER 42 HG SER 42 -3.901 2.304 7.011 312 H GLU 43 H GLU 43 -2.559 4.971 5.636 313 HA GLU 43 HA GLU 43 -0.075 4.735 4.211 314 HB2 GLU 43 2HB GLU 43 0.901 6.079 5.898 315 HB3 GLU 43 3HB GLU 43 -0.679 6.742 5.508 316 HG2 GLU 43 2HG GLU 43 -1.552 6.270 7.552 317 HG3 GLU 43 3HG GLU 43 -0.599 4.827 7.811 318 H ASN 44 H ASN 44 -1.347 2.335 6.019 319 HA ASN 44 HA ASN 44 1.299 1.286 6.942 320 HB2 ASN 44 2HB ASN 44 -0.002 0.155 8.746 321 HB3 ASN 44 3HB ASN 44 -0.036 1.910 8.859 322 HD21 ASN 44 1HD2 ASN 44 -1.703 1.128 10.373 323 HD22 ASN 44 2HD2 ASN 44 -3.308 1.411 9.687 324 H GLY 45 H GLY 45 -1.833 0.333 5.548 325 HA2 GLY 45 2HA GLY 45 -1.432 -2.441 5.581 326 HA3 GLY 45 3HA GLY 45 -2.639 -1.570 4.653 327 H TRP 46 H TRP 46 0.723 -2.504 4.684 328 HA TRP 46 HA TRP 46 1.812 -2.291 2.237 329 HB2 TRP 46 2HB TRP 46 2.816 -3.357 4.237 330 HB3 TRP 46 3HB TRP 46 1.713 -4.692 4.087 331 HD1 TRP 46 HD1 TRP 46 4.843 -3.273 2.405 332 HE1 TRP 46 HE1 TRP 46 6.032 -5.158 1.136 333 HE3 TRP 46 HE3 TRP 46 1.290 -6.920 2.834 334 HZ2 TRP 46 HZ2 TRP 46 5.591 -7.977 0.585 335 HZ3 TRP 46 HZ3 TRP 46 1.658 -9.164 1.842 336 HH2 TRP 46 HH2 TRP 46 3.810 -9.710 0.731 337 H CYS 47 H CYS 47 1.827 -3.197 0.243 338 HA CYS 47 HA CYS 47 0.251 -5.661 -0.306 339 HB2 CYS 47 2HB CYS 47 -0.425 -4.820 -2.407 340 HB3 CYS 47 3HB CYS 47 -0.586 -3.397 -1.358 341 H ARG 48 H ARG 48 1.138 -6.770 -2.332 342 HA ARG 48 HA ARG 48 3.800 -7.620 -1.588 343 HB2 ARG 48 2HB ARG 48 2.045 -8.400 -3.954 344 HB3 ARG 48 3HB ARG 48 3.478 -9.272 -3.418 345 HG2 ARG 48 2HG ARG 48 2.419 -9.975 -1.373 346 HG3 ARG 48 3HG ARG 48 1.038 -8.905 -1.630 347 HD2 ARG 48 2HD ARG 48 0.424 -11.194 -2.180 348 HD3 ARG 48 3HD ARG 48 0.345 -10.161 -3.602 349 HE ARG 48 HE ARG 48 2.402 -12.259 -3.022 350 HH11 ARG 48 1HH1 ARG 48 0.712 -10.514 -5.565 351 HH12 ARG 48 2HH1 ARG 48 1.986 -10.925 -6.725 352 HH21 ARG 48 1HH2 ARG 48 3.840 -12.794 -4.645 353 HH22 ARG 48 2HH2 ARG 48 3.480 -12.238 -6.284 354 H LEU 49 H LEU 49 2.968 -5.074 -3.649 355 HA LEU 49 HA LEU 49 5.133 -5.678 -5.626 356 HB2 LEU 49 2HB LEU 49 2.441 -4.368 -6.060 357 HB3 LEU 49 3HB LEU 49 3.653 -4.654 -7.306 358 HG LEU 49 HG LEU 49 2.108 -6.786 -5.777 359 HD11 LEU 49 1HD1 LEU 49 2.016 -5.925 -8.697 360 HD12 LEU 49 2HD1 LEU 49 1.054 -7.216 -7.946 361 HD13 LEU 49 3HD1 LEU 49 0.802 -5.527 -7.466 362 HD21 LEU 49 1HD2 LEU 49 4.334 -7.673 -6.347 363 HD22 LEU 49 2HD2 LEU 49 3.116 -8.377 -7.410 364 HD23 LEU 49 3HD2 LEU 49 4.165 -7.078 -8.013 365 H TYR 50 H TYR 50 5.325 -3.901 -3.220 366 HA TYR 50 HA TYR 50 5.615 -1.191 -3.822 367 HB2 TYR 50 2HB TYR 50 7.255 -1.227 -1.935 368 HB3 TYR 50 3HB TYR 50 5.717 -2.002 -1.598 369 HD1 TYR 50 HD1 TYR 50 9.348 -2.629 -2.219 370 HD2 TYR 50 HD2 TYR 50 5.538 -4.326 -1.160 371 HE1 TYR 50 HE1 TYR 50 10.479 -4.740 -1.536 372 HE2 TYR 50 HE2 TYR 50 6.665 -6.496 -0.607 373 HH TYR 50 HH TYR 50 8.635 -7.620 -0.444 374 H ALA 51 H ALA 51 7.708 0.033 -3.789 375 HA ALA 51 HA ALA 51 9.638 -0.952 -5.845 376 HB1 ALA 51 1HB ALA 51 9.000 1.890 -4.936 377 HB2 ALA 51 2HB ALA 51 10.152 1.431 -6.199 378 HB3 ALA 51 3HB ALA 51 8.428 1.115 -6.439 379 H GLY 52 H GLY 52 11.902 -0.234 -5.552 380 HA2 GLY 52 2HA GLY 52 12.982 -0.891 -2.996 381 HA3 GLY 52 3HA GLY 52 13.879 -0.278 -4.376 382 H LYS 53 H LYS 53 14.367 0.411 -1.623 383 HA LYS 53 HA LYS 53 13.529 3.236 -1.350 384 HB2 LYS 53 2HB LYS 53 14.227 1.066 0.651 385 HB3 LYS 53 3HB LYS 53 14.280 2.770 1.082 386 HG2 LYS 53 2HG LYS 53 12.247 1.781 1.849 387 HG3 LYS 53 3HG LYS 53 11.900 3.024 0.644 388 HD2 LYS 53 2HD LYS 53 11.348 1.426 -1.013 389 HD3 LYS 53 3HD LYS 53 12.098 0.093 -0.104 390 HE2 LYS 53 2HE LYS 53 10.346 0.368 1.662 391 HE3 LYS 53 3HE LYS 53 9.588 1.622 0.666 392 HZ1 LYS 53 1HZ LYS 53 9.996 -1.218 -0.086 393 HZ2 LYS 53 2HZ LYS 53 8.536 -0.535 0.255 394 HZ3 LYS 53 3HZ LYS 53 9.386 -0.080 -1.100 395 H ALA 54 H ALA 54 14.970 4.535 -0.365 396 HA ALA 54 HA ALA 54 17.697 4.469 -1.571 397 HB1 ALA 54 1HB ALA 54 16.212 6.379 -2.140 398 HB2 ALA 54 2HB ALA 54 16.231 6.859 -0.419 399 HB3 ALA 54 3HB ALA 54 17.728 6.870 -1.362 Start of MODEL 15 1 H1 VAL 1 1H VAL 1 -4.944 8.405 -16.215 2 H2 VAL 1 2H VAL 1 -5.325 9.646 -17.212 3 H3 VAL 1 3H VAL 1 -4.949 8.168 -17.841 4 HA VAL 1 HA VAL 1 -7.289 8.907 -16.233 5 HB VAL 1 HB VAL 1 -7.521 9.611 -18.499 6 HG11 VAL 1 1HG1 VAL 1 -7.663 8.097 -20.403 7 HG12 VAL 1 2HG1 VAL 1 -6.047 8.059 -19.716 8 HG13 VAL 1 3HG1 VAL 1 -7.183 6.718 -19.405 9 HG21 VAL 1 1HG2 VAL 1 -9.500 8.793 -17.272 10 HG22 VAL 1 2HG2 VAL 1 -9.653 8.561 -19.017 11 HG23 VAL 1 3HG2 VAL 1 -9.278 7.176 -17.980 12 H THR 2 H THR 2 -5.651 6.051 -17.759 13 HA THR 2 HA THR 2 -7.392 4.089 -16.741 14 HB THR 2 HB THR 2 -4.390 3.890 -17.176 15 HG1 THR 2 HG1 THR 2 -4.780 3.743 -19.197 16 HG21 THR 2 1HG2 THR 2 -4.911 1.552 -17.823 17 HG22 THR 2 2HG2 THR 2 -5.321 1.860 -16.132 18 HG23 THR 2 3HG2 THR 2 -6.610 1.801 -17.360 19 H LYS 3 H LYS 3 -7.825 3.361 -14.757 20 HA LYS 3 HA LYS 3 -6.191 4.339 -12.489 21 HB2 LYS 3 2HB LYS 3 -8.707 4.848 -13.025 22 HB3 LYS 3 3HB LYS 3 -9.016 3.266 -12.301 23 HG2 LYS 3 2HG LYS 3 -7.967 3.990 -10.234 24 HG3 LYS 3 3HG LYS 3 -7.413 5.505 -10.983 25 HD2 LYS 3 2HD LYS 3 -9.754 6.208 -11.307 26 HD3 LYS 3 3HD LYS 3 -10.320 4.751 -10.492 27 HE2 LYS 3 2HE LYS 3 -8.415 6.797 -9.236 28 HE3 LYS 3 3HE LYS 3 -10.172 6.886 -9.063 29 HZ1 LYS 3 1HZ LYS 3 -8.542 4.571 -8.182 30 HZ2 LYS 3 2HZ LYS 3 -9.072 5.724 -7.178 31 HZ3 LYS 3 3HZ LYS 3 -10.151 4.750 -7.967 32 H LYS 4 H LYS 4 -5.550 3.059 -10.747 33 HA LYS 4 HA LYS 4 -4.419 0.653 -11.627 34 HB2 LYS 4 2HB LYS 4 -4.383 2.414 -9.217 35 HB3 LYS 4 3HB LYS 4 -3.839 0.792 -8.896 36 HG2 LYS 4 2HG LYS 4 -2.793 2.314 -11.301 37 HG3 LYS 4 3HG LYS 4 -2.151 2.539 -9.687 38 HD2 LYS 4 2HD LYS 4 -1.641 0.099 -9.563 39 HD3 LYS 4 3HD LYS 4 -2.380 -0.149 -11.151 40 HE2 LYS 4 2HE LYS 4 -0.642 1.398 -12.136 41 HE3 LYS 4 3HE LYS 4 0.116 1.447 -10.548 42 HZ1 LYS 4 1HZ LYS 4 0.096 -1.107 -10.771 43 HZ2 LYS 4 2HZ LYS 4 -0.109 -0.881 -12.359 44 HZ3 LYS 4 3HZ LYS 4 1.235 -0.252 -11.610 45 H ALA 5 H ALA 5 -3.971 -1.108 -10.009 46 HA ALA 5 HA ALA 5 -6.157 -2.952 -9.835 47 HB1 ALA 5 1HB ALA 5 -3.359 -2.887 -8.598 48 HB2 ALA 5 2HB ALA 5 -4.399 -4.311 -8.683 49 HB3 ALA 5 3HB ALA 5 -3.785 -3.588 -10.177 50 H SER 6 H SER 6 -7.500 -3.412 -8.155 51 HA SER 6 HA SER 6 -7.721 -1.806 -5.790 52 HB2 SER 6 2HB SER 6 -9.384 -3.338 -5.084 53 HB3 SER 6 3HB SER 6 -9.536 -3.218 -6.834 54 HG SER 6 HG SER 6 -9.650 -5.344 -6.245 55 H HIS 7 H HIS 7 -7.480 -2.652 -3.529 56 HA HIS 7 HA HIS 7 -4.703 -3.186 -3.082 57 HB2 HIS 7 2HB HIS 7 -6.795 -3.693 -0.970 58 HB3 HIS 7 3HB HIS 7 -5.199 -2.975 -0.802 59 HD2 HIS 7 HD2 HIS 7 -5.767 -0.590 -3.097 60 HE1 HIS 7 HE1 HIS 7 -8.840 0.612 -0.409 61 HE2 HIS 7 HE2 HIS 7 -7.323 1.376 -2.300 62 H LYS 8 H LYS 8 -7.459 -5.203 -3.133 63 HA LYS 8 HA LYS 8 -6.356 -7.755 -2.298 64 HB2 LYS 8 2HB LYS 8 -8.755 -7.228 -2.210 65 HB3 LYS 8 3HB LYS 8 -8.800 -7.114 -3.971 66 HG2 LYS 8 2HG LYS 8 -9.631 -9.222 -3.349 67 HG3 LYS 8 3HG LYS 8 -8.089 -9.510 -4.123 68 HD2 LYS 8 2HD LYS 8 -7.003 -9.902 -1.956 69 HD3 LYS 8 3HD LYS 8 -8.473 -9.428 -1.097 70 HE2 LYS 8 2HE LYS 8 -8.276 -11.824 -1.035 71 HE3 LYS 8 3HE LYS 8 -9.664 -11.389 -2.039 72 HZ1 LYS 8 1HZ LYS 8 -8.303 -13.135 -3.056 73 HZ2 LYS 8 2HZ LYS 8 -8.304 -11.813 -4.007 74 HZ3 LYS 8 3HZ LYS 8 -6.982 -12.162 -3.077 75 H ASP 9 H ASP 9 -7.177 -6.557 -5.566 76 HA ASP 9 HA ASP 9 -5.936 -8.539 -7.149 77 HB2 ASP 9 2HB ASP 9 -7.385 -6.525 -7.783 78 HB3 ASP 9 3HB ASP 9 -5.924 -5.586 -7.762 79 H ALA 10 H ALA 10 -4.489 -5.623 -5.733 80 HA ALA 10 HA ALA 10 -1.782 -6.112 -6.556 81 HB1 ALA 10 1HB ALA 10 -2.981 -4.355 -4.380 82 HB2 ALA 10 2HB ALA 10 -1.311 -4.283 -4.944 83 HB3 ALA 10 3HB ALA 10 -2.639 -3.888 -6.062 84 H GLY 11 H GLY 11 -3.506 -7.824 -4.180 85 HA2 GLY 11 2HA GLY 11 -2.781 -9.529 -2.851 86 HA3 GLY 11 3HA GLY 11 -1.110 -9.226 -3.328 87 H TYR 12 H TYR 12 -3.149 -6.736 -1.790 88 HA TYR 12 HA TYR 12 -1.180 -6.319 0.197 89 HB2 TYR 12 2HB TYR 12 -2.146 -4.438 0.653 90 HB3 TYR 12 3HB TYR 12 -3.009 -4.689 -0.825 91 HD1 TYR 12 HD1 TYR 12 -5.275 -6.459 -0.115 92 HD2 TYR 12 HD2 TYR 12 -3.403 -3.347 2.190 93 HE1 TYR 12 HE1 TYR 12 -7.374 -6.151 1.198 94 HE2 TYR 12 HE2 TYR 12 -5.489 -3.026 3.487 95 HH TYR 12 HH TYR 12 -7.626 -3.696 3.808 96 H GLN 13 H GLN 13 -1.268 -6.257 2.391 97 HA GLN 13 HA GLN 13 -3.170 -8.076 3.769 98 HB2 GLN 13 2HB GLN 13 -1.344 -8.086 5.612 99 HB3 GLN 13 3HB GLN 13 -1.216 -9.200 4.259 100 HG2 GLN 13 2HG GLN 13 0.492 -7.860 3.182 101 HG3 GLN 13 3HG GLN 13 0.266 -6.557 4.359 102 HE21 GLN 13 1HE2 GLN 13 2.015 -6.361 5.456 103 HE22 GLN 13 2HE2 GLN 13 2.718 -7.676 6.364 104 H GLU 14 H GLU 14 -4.204 -7.232 5.487 105 HA GLU 14 HA GLU 14 -4.536 -4.411 5.730 106 HB2 GLU 14 2HB GLU 14 -6.108 -5.008 7.488 107 HB3 GLU 14 3HB GLU 14 -6.216 -6.123 6.117 108 HG2 GLU 14 2HG GLU 14 -4.867 -7.799 7.314 109 HG3 GLU 14 3HG GLU 14 -4.696 -6.699 8.682 110 H SER 15 H SER 15 -1.837 -5.646 6.447 111 HA SER 15 HA SER 15 -1.193 -3.870 8.690 112 HB2 SER 15 2HB SER 15 0.275 -5.751 9.680 113 HB3 SER 15 3HB SER 15 -1.442 -5.755 9.996 114 HG SER 15 HG SER 15 -1.543 -7.636 9.076 115 HA PRO 16 HA PRO 16 2.778 -3.206 6.719 116 HB2 PRO 16 2HB PRO 16 3.944 -3.590 9.456 117 HB3 PRO 16 3HB PRO 16 4.232 -2.267 8.316 118 HG2 PRO 16 2HG PRO 16 2.612 -1.899 10.468 119 HG3 PRO 16 3HG PRO 16 2.122 -1.245 8.874 120 HD2 PRO 16 2HD PRO 16 1.180 -3.814 10.197 121 HD3 PRO 16 3HD PRO 16 0.247 -2.554 9.355 122 H ASN 17 H ASN 17 4.588 -4.374 6.041 123 HA ASN 17 HA ASN 17 4.954 -7.204 6.930 124 HB2 ASN 17 2HB ASN 17 4.719 -7.094 4.558 125 HB3 ASN 17 3HB ASN 17 5.743 -5.676 4.445 126 HD21 ASN 17 1HD2 ASN 17 6.862 -7.018 2.762 127 HD22 ASN 17 2HD2 ASN 17 8.125 -8.097 3.344 128 H GLY 18 H GLY 18 5.810 -6.633 8.942 129 HA2 GLY 18 2HA GLY 18 7.391 -6.027 10.478 130 HA3 GLY 18 3HA GLY 18 8.563 -6.421 9.218 131 H ALA 19 H ALA 19 9.893 -4.864 8.664 132 HA ALA 19 HA ALA 19 9.683 -2.151 9.594 133 HB1 ALA 19 1HB ALA 19 11.628 -3.458 7.650 134 HB2 ALA 19 2HB ALA 19 11.845 -1.885 8.446 135 HB3 ALA 19 3HB ALA 19 11.806 -3.358 9.421 136 H LYS 20 H LYS 20 8.159 -3.491 6.790 137 HA LYS 20 HA LYS 20 8.052 -0.763 5.539 138 HB2 LYS 20 2HB LYS 20 7.423 -3.370 4.135 139 HB3 LYS 20 3HB LYS 20 7.623 -1.766 3.451 140 HG2 LYS 20 2HG LYS 20 9.661 -2.494 2.901 141 HG3 LYS 20 3HG LYS 20 10.113 -2.068 4.549 142 HD2 LYS 20 2HD LYS 20 9.729 -4.442 5.232 143 HD3 LYS 20 3HD LYS 20 9.146 -4.809 3.602 144 HE2 LYS 20 2HE LYS 20 11.450 -4.003 2.765 145 HE3 LYS 20 3HE LYS 20 11.978 -4.102 4.456 146 HZ1 LYS 20 1HZ LYS 20 10.776 -6.301 2.876 147 HZ2 LYS 20 2HZ LYS 20 12.368 -6.221 3.201 148 HZ3 LYS 20 3HZ LYS 20 11.253 -6.462 4.419 149 H ARG 21 H ARG 21 6.201 0.259 5.420 150 HA ARG 21 HA ARG 21 3.676 -1.258 5.095 151 HB2 ARG 21 2HB ARG 21 2.453 -0.118 6.647 152 HB3 ARG 21 3HB ARG 21 3.979 -0.250 7.507 153 HG2 ARG 21 2HG ARG 21 4.575 2.068 6.841 154 HG3 ARG 21 3HG ARG 21 3.025 2.186 5.985 155 HD2 ARG 21 2HD ARG 21 1.851 1.723 8.166 156 HD3 ARG 21 3HD ARG 21 3.394 1.870 8.981 157 HE ARG 21 HE ARG 21 1.817 3.977 7.623 158 HH11 ARG 21 1HH1 ARG 21 4.854 3.300 9.332 159 HH12 ARG 21 2HH1 ARG 21 5.236 5.001 9.460 160 HH21 ARG 21 1HH2 ARG 21 2.208 6.056 8.212 161 HH22 ARG 21 2HH2 ARG 21 3.697 6.499 9.001 162 H CYS 22 H CYS 22 1.956 0.361 3.983 163 HA CYS 22 HA CYS 22 2.903 1.544 1.712 164 HB2 CYS 22 2HB CYS 22 0.521 2.283 3.470 165 HB3 CYS 22 3HB CYS 22 0.740 2.782 1.783 166 H GLY 23 H GLY 23 2.176 3.443 4.676 167 HA2 GLY 23 2HA GLY 23 3.292 5.915 4.020 168 HA3 GLY 23 3HA GLY 23 3.200 5.192 5.622 169 H THR 24 H THR 24 5.163 2.986 4.364 170 HA THR 24 HA THR 24 7.648 4.563 4.130 171 HB THR 24 HB THR 24 8.889 2.803 5.396 172 HG1 THR 24 HG1 THR 24 7.525 1.754 6.974 173 HG21 THR 24 1HG2 THR 24 8.393 3.730 7.566 174 HG22 THR 24 2HG2 THR 24 8.244 5.020 6.369 175 HG23 THR 24 3HG2 THR 24 6.782 4.263 7.040 176 H CYS 25 H CYS 25 5.794 3.249 2.186 177 HA CYS 25 HA CYS 25 7.335 1.130 0.923 178 HB2 CYS 25 2HB CYS 25 4.904 1.151 0.844 179 HB3 CYS 25 3HB CYS 25 4.891 2.703 0.034 180 H ARG 26 H ARG 26 7.371 1.548 -1.636 181 HA ARG 26 HA ARG 26 9.480 3.658 -1.977 182 HB2 ARG 26 2HB ARG 26 9.007 1.161 -3.629 183 HB3 ARG 26 3HB ARG 26 10.298 2.355 -3.864 184 HG2 ARG 26 2HG ARG 26 11.090 1.846 -1.495 185 HG3 ARG 26 3HG ARG 26 9.878 0.561 -1.441 186 HD2 ARG 26 2HD ARG 26 11.787 -0.596 -2.033 187 HD3 ARG 26 3HD ARG 26 10.979 -0.351 -3.586 188 HE ARG 26 HE ARG 26 12.742 1.837 -3.272 189 HH11 ARG 26 1HH1 ARG 26 13.167 -1.582 -3.944 190 HH12 ARG 26 2HH1 ARG 26 14.917 -1.377 -3.976 191 HH21 ARG 26 1HH2 ARG 26 14.863 1.972 -3.733 192 HH22 ARG 26 2HH2 ARG 26 15.792 0.488 -3.982 193 H GLN 27 H GLN 27 6.182 3.209 -2.851 194 HA GLN 27 HA GLN 27 6.443 5.721 -4.316 195 HB2 GLN 27 2HB GLN 27 6.755 3.702 -5.966 196 HB3 GLN 27 3HB GLN 27 5.008 3.544 -5.848 197 HG2 GLN 27 2HG GLN 27 5.616 4.835 -7.813 198 HG3 GLN 27 3HG GLN 27 4.810 5.913 -6.683 199 HE21 GLN 27 1HE2 GLN 27 5.899 7.781 -6.017 200 HE22 GLN 27 2HE2 GLN 27 7.554 8.125 -6.476 201 H PHE 28 H PHE 28 5.137 5.191 -1.838 202 HA PHE 28 HA PHE 28 2.263 5.020 -2.116 203 HB2 PHE 28 2HB PHE 28 3.453 4.523 -0.079 204 HB3 PHE 28 3HB PHE 28 4.069 6.170 0.017 205 HD1 PHE 28 HD1 PHE 28 0.841 4.238 0.061 206 HD2 PHE 28 HD2 PHE 28 2.926 7.804 1.290 207 HE1 PHE 28 HE1 PHE 28 -1.033 4.824 1.572 208 HE2 PHE 28 HE2 PHE 28 1.021 8.418 2.741 209 HZ PHE 28 HZ PHE 28 -0.964 6.912 2.912 210 H ARG 29 H ARG 29 0.668 6.761 -1.699 211 HA ARG 29 HA ARG 29 1.600 9.426 -2.673 212 HB2 ARG 29 2HB ARG 29 0.565 8.031 -4.430 213 HB3 ARG 29 3HB ARG 29 -0.909 7.931 -3.486 214 HG2 ARG 29 2HG ARG 29 -1.176 9.583 -5.191 215 HG3 ARG 29 3HG ARG 29 -1.144 10.375 -3.611 216 HD2 ARG 29 2HD ARG 29 1.251 11.007 -4.012 217 HD3 ARG 29 3HD ARG 29 1.202 10.173 -5.565 218 HE ARG 29 HE ARG 29 -0.730 12.379 -5.059 219 HH11 ARG 29 1HH1 ARG 29 2.267 11.486 -6.735 220 HH12 ARG 29 2HH1 ARG 29 2.198 12.925 -7.720 221 HH21 ARG 29 1HH2 ARG 29 -0.785 14.084 -6.453 222 HH22 ARG 29 2HH2 ARG 29 0.532 14.319 -7.585 223 HA PRO 30 HA PRO 30 -0.495 10.262 1.261 224 HB2 PRO 30 2HB PRO 30 0.488 12.783 1.749 225 HB3 PRO 30 3HB PRO 30 1.412 11.277 2.043 226 HG2 PRO 30 2HG PRO 30 1.522 13.078 -0.398 227 HG3 PRO 30 3HG PRO 30 2.893 12.437 0.567 228 HD2 PRO 30 2HD PRO 30 2.081 11.248 -1.729 229 HD3 PRO 30 3HD PRO 30 2.626 10.263 -0.335 230 HA PRO 31 HA PRO 31 -1.575 11.747 2.864 231 HB2 PRO 31 2HB PRO 31 -4.125 11.928 3.768 232 HB3 PRO 31 3HB PRO 31 -3.180 13.372 3.297 233 HG2 PRO 31 2HG PRO 31 -5.160 11.839 1.571 234 HG3 PRO 31 3HG PRO 31 -5.150 13.586 1.951 235 HD2 PRO 31 2HD PRO 31 -3.992 12.649 -0.325 236 HD3 PRO 31 3HD PRO 31 -3.211 13.951 0.610 237 H SER 32 H SER 32 -3.828 10.031 0.675 238 HA SER 32 HA SER 32 -3.713 7.560 2.308 239 HB2 SER 32 2HB SER 32 -6.153 7.539 2.579 240 HB3 SER 32 3HB SER 32 -5.449 8.960 3.362 241 HG SER 32 HG SER 32 -6.659 8.842 0.804 242 H SER 33 H SER 33 -2.617 7.778 -0.244 243 HA SER 33 HA SER 33 -4.332 5.909 -1.790 244 HB2 SER 33 2HB SER 33 -3.189 8.522 -2.852 245 HB3 SER 33 3HB SER 33 -3.773 7.196 -3.876 246 HG SER 33 HG SER 33 -5.209 8.788 -2.051 247 H CYS 34 H CYS 34 -3.096 4.917 -3.631 248 HA CYS 34 HA CYS 34 -0.121 5.009 -3.244 249 HB2 CYS 34 2HB CYS 34 -1.171 2.939 -2.394 250 HB3 CYS 34 3HB CYS 34 -1.840 2.632 -3.988 251 H ILE 35 H ILE 35 0.811 3.868 -5.279 252 HA ILE 35 HA ILE 35 -0.199 5.157 -7.805 253 HB ILE 35 HB ILE 35 2.681 4.877 -6.878 254 HG12 ILE 35 2HG1 ILE 35 1.563 6.805 -5.873 255 HG13 ILE 35 3HG1 ILE 35 2.842 7.279 -6.955 256 HG21 ILE 35 1HG2 ILE 35 1.625 5.768 -9.579 257 HG22 ILE 35 2HG2 ILE 35 3.286 6.051 -9.012 258 HG23 ILE 35 3HG2 ILE 35 2.702 4.404 -9.231 259 HD11 ILE 35 1HD1 ILE 35 1.181 7.891 -8.705 260 HD12 ILE 35 2HD1 ILE 35 -0.138 7.385 -7.624 261 HD13 ILE 35 3HD1 ILE 35 0.888 8.758 -7.199 262 H THR 36 H THR 36 1.863 2.566 -6.409 263 HA THR 36 HA THR 36 1.555 0.811 -8.716 264 HB THR 36 HB THR 36 2.497 -0.779 -6.682 265 HG1 THR 36 HG1 THR 36 2.842 0.608 -5.083 266 HG21 THR 36 1HG2 THR 36 4.047 1.192 -8.409 267 HG22 THR 36 2HG2 THR 36 4.735 -0.213 -7.569 268 HG23 THR 36 3HG2 THR 36 3.554 -0.464 -8.852 269 H VAL 37 H VAL 37 -0.305 1.552 -5.957 270 HA VAL 37 HA VAL 37 -2.325 -0.525 -6.653 271 HB VAL 37 HB VAL 37 -1.535 0.376 -3.837 272 HG11 VAL 37 1HG1 VAL 37 -3.568 -1.679 -4.782 273 HG12 VAL 37 2HG1 VAL 37 -2.940 -1.565 -3.114 274 HG13 VAL 37 3HG1 VAL 37 -3.828 -0.215 -3.777 275 HG21 VAL 37 1HG2 VAL 37 0.215 -1.048 -4.604 276 HG22 VAL 37 2HG2 VAL 37 -0.820 -2.060 -3.621 277 HG23 VAL 37 3HG2 VAL 37 -0.919 -2.145 -5.403 278 H GLU 38 H GLU 38 -4.515 0.218 -5.729 279 HA GLU 38 HA GLU 38 -5.270 2.532 -7.017 280 HB2 GLU 38 2HB GLU 38 -6.515 0.502 -5.242 281 HB3 GLU 38 3HB GLU 38 -7.390 2.021 -5.245 282 HG2 GLU 38 2HG GLU 38 -6.511 0.677 -7.804 283 HG3 GLU 38 3HG GLU 38 -8.034 0.284 -7.011 284 H SER 39 H SER 39 -6.700 4.196 -6.373 285 HA SER 39 HA SER 39 -6.068 5.604 -3.828 286 HB2 SER 39 2HB SER 39 -6.786 7.669 -5.007 287 HB3 SER 39 3HB SER 39 -5.325 6.932 -5.687 288 HG SER 39 HG SER 39 -6.735 7.534 -7.365 289 HA PRO 40 HA PRO 40 -7.015 6.391 -2.008 290 HB2 PRO 40 2HB PRO 40 -9.021 5.183 -0.162 291 HB3 PRO 40 3HB PRO 40 -8.293 6.810 -0.127 292 HG2 PRO 40 2HG PRO 40 -10.877 6.443 -0.900 293 HG3 PRO 40 3HG PRO 40 -9.815 7.634 -1.721 294 HD2 PRO 40 2HD PRO 40 -10.457 4.794 -2.588 295 HD3 PRO 40 3HD PRO 40 -10.522 6.297 -3.552 296 H ILE 41 H ILE 41 -6.011 5.244 -0.166 297 HA ILE 41 HA ILE 41 -6.069 2.311 -0.062 298 HB ILE 41 HB ILE 41 -4.140 3.556 -1.607 299 HG12 ILE 41 2HG1 ILE 41 -4.600 1.278 -1.859 300 HG13 ILE 41 3HG1 ILE 41 -2.883 1.479 -1.608 301 HG21 ILE 41 1HG2 ILE 41 -2.673 2.955 0.971 302 HG22 ILE 41 2HG2 ILE 41 -2.001 3.523 -0.540 303 HG23 ILE 41 3HG2 ILE 41 -3.072 4.586 0.377 304 HD11 ILE 41 1HD1 ILE 41 -4.872 0.396 0.432 305 HD12 ILE 41 2HD1 ILE 41 -3.633 -0.504 -0.450 306 HD13 ILE 41 3HD1 ILE 41 -3.141 0.688 0.759 307 H SER 42 H SER 42 -4.883 1.545 1.934 308 HA SER 42 HA SER 42 -5.209 3.401 4.230 309 HB2 SER 42 2HB SER 42 -6.118 1.220 4.416 310 HB3 SER 42 3HB SER 42 -4.581 0.442 3.997 311 HG SER 42 HG SER 42 -4.864 0.370 6.177 312 H GLU 43 H GLU 43 -3.486 4.286 5.363 313 HA GLU 43 HA GLU 43 -0.915 4.263 4.083 314 HB2 GLU 43 2HB GLU 43 -0.147 5.731 5.720 315 HB3 GLU 43 3HB GLU 43 -1.792 6.215 5.350 316 HG2 GLU 43 2HG GLU 43 -2.621 5.468 7.396 317 HG3 GLU 43 3HG GLU 43 -1.256 4.423 7.711 318 H ASN 44 H ASN 44 -2.148 1.859 5.979 319 HA ASN 44 HA ASN 44 0.568 0.881 6.702 320 HB2 ASN 44 2HB ASN 44 -0.380 -0.193 8.677 321 HB3 ASN 44 3HB ASN 44 -0.760 1.526 8.688 322 HD21 ASN 44 1HD2 ASN 44 -2.724 2.082 9.218 323 HD22 ASN 44 2HD2 ASN 44 -4.078 0.963 9.141 324 H GLY 45 H GLY 45 -1.737 0.289 4.427 325 HA2 GLY 45 2HA GLY 45 -2.110 -2.585 4.789 326 HA3 GLY 45 3HA GLY 45 -2.776 -1.560 3.519 327 H TRP 46 H TRP 46 0.454 -2.844 4.530 328 HA TRP 46 HA TRP 46 1.728 -2.377 2.069 329 HB2 TRP 46 2HB TRP 46 2.898 -2.967 4.172 330 HB3 TRP 46 3HB TRP 46 2.288 -4.603 4.048 331 HD1 TRP 46 HD1 TRP 46 4.858 -2.253 2.490 332 HE1 TRP 46 HE1 TRP 46 6.485 -3.563 0.995 333 HE3 TRP 46 HE3 TRP 46 2.570 -6.826 2.583 334 HZ2 TRP 46 HZ2 TRP 46 6.734 -6.219 -0.068 335 HZ3 TRP 46 HZ3 TRP 46 3.482 -8.712 1.255 336 HH2 TRP 46 HH2 TRP 46 5.568 -8.410 -0.082 337 H CYS 47 H CYS 47 2.070 -3.437 0.156 338 HA CYS 47 HA CYS 47 0.713 -6.054 -0.286 339 HB2 CYS 47 2HB CYS 47 -0.249 -5.162 -2.315 340 HB3 CYS 47 3HB CYS 47 -0.435 -3.828 -1.141 341 H ARG 48 H ARG 48 1.374 -7.185 -2.256 342 HA ARG 48 HA ARG 48 4.287 -7.264 -2.462 343 HB2 ARG 48 2HB ARG 48 2.050 -9.024 -3.175 344 HB3 ARG 48 3HB ARG 48 3.123 -8.858 -4.558 345 HG2 ARG 48 2HG ARG 48 4.049 -9.556 -1.748 346 HG3 ARG 48 3HG ARG 48 3.695 -10.757 -2.987 347 HD2 ARG 48 2HD ARG 48 5.698 -8.552 -3.597 348 HD3 ARG 48 3HD ARG 48 6.162 -9.875 -2.565 349 HE ARG 48 HE ARG 48 5.829 -11.454 -4.336 350 HH11 ARG 48 1HH1 ARG 48 5.585 -8.153 -5.621 351 HH12 ARG 48 2HH1 ARG 48 6.187 -8.705 -7.173 352 HH21 ARG 48 1HH2 ARG 48 6.406 -11.989 -6.317 353 HH22 ARG 48 2HH2 ARG 48 6.672 -10.768 -7.536 354 H LEU 49 H LEU 49 2.036 -5.245 -3.893 355 HA LEU 49 HA LEU 49 3.505 -4.837 -6.408 356 HB2 LEU 49 2HB LEU 49 0.890 -4.063 -5.271 357 HB3 LEU 49 3HB LEU 49 1.688 -2.726 -6.044 358 HG LEU 49 HG LEU 49 0.145 -3.901 -7.531 359 HD11 LEU 49 1HD1 LEU 49 2.095 -2.721 -8.502 360 HD12 LEU 49 2HD1 LEU 49 3.030 -4.229 -8.466 361 HD13 LEU 49 3HD1 LEU 49 1.588 -4.107 -9.484 362 HD21 LEU 49 1HD2 LEU 49 0.513 -6.181 -6.571 363 HD22 LEU 49 2HD2 LEU 49 0.536 -6.120 -8.351 364 HD23 LEU 49 3HD2 LEU 49 2.051 -6.267 -7.443 365 H TYR 50 H TYR 50 3.684 -3.665 -3.158 366 HA TYR 50 HA TYR 50 4.982 -1.406 -2.871 367 HB2 TYR 50 2HB TYR 50 5.076 -3.070 -1.192 368 HB3 TYR 50 3HB TYR 50 5.960 -4.194 -2.211 369 HD1 TYR 50 HD1 TYR 50 8.374 -4.011 -2.545 370 HD2 TYR 50 HD2 TYR 50 6.244 -1.289 0.029 371 HE1 TYR 50 HE1 TYR 50 10.519 -3.338 -1.493 372 HE2 TYR 50 HE2 TYR 50 8.406 -0.685 1.150 373 HH TYR 50 HH TYR 50 10.670 -0.876 1.119 374 H ALA 51 H ALA 51 6.173 -0.174 -4.097 375 HA ALA 51 HA ALA 51 6.444 -1.043 -6.605 376 HB1 ALA 51 1HB ALA 51 7.284 1.160 -7.211 377 HB2 ALA 51 2HB ALA 51 6.051 1.275 -5.942 378 HB3 ALA 51 3HB ALA 51 7.771 1.461 -5.528 379 H GLY 52 H GLY 52 7.752 -2.157 -7.864 380 HA2 GLY 52 2HA GLY 52 10.403 -2.911 -7.149 381 HA3 GLY 52 3HA GLY 52 9.686 -3.149 -8.713 382 H LYS 53 H LYS 53 11.916 -1.490 -6.990 383 HA LYS 53 HA LYS 53 12.495 0.603 -9.056 384 HB2 LYS 53 2HB LYS 53 12.799 0.413 -6.087 385 HB3 LYS 53 3HB LYS 53 14.119 1.193 -6.947 386 HG2 LYS 53 2HG LYS 53 12.582 2.851 -6.221 387 HG3 LYS 53 3HG LYS 53 12.579 2.771 -7.986 388 HD2 LYS 53 2HD LYS 53 10.412 1.631 -7.980 389 HD3 LYS 53 3HD LYS 53 10.483 1.468 -6.219 390 HE2 LYS 53 2HE LYS 53 8.995 3.279 -6.688 391 HE3 LYS 53 3HE LYS 53 10.462 3.955 -5.990 392 HZ1 LYS 53 1HZ LYS 53 9.809 3.901 -8.887 393 HZ2 LYS 53 2HZ LYS 53 9.617 5.184 -7.909 394 HZ3 LYS 53 3HZ LYS 53 11.149 4.613 -8.247 395 H ALA 54 H ALA 54 13.695 -0.263 -10.575 396 HA ALA 54 HA ALA 54 16.161 -1.799 -9.862 397 HB1 ALA 54 1HB ALA 54 14.518 -1.815 -12.416 398 HB2 ALA 54 2HB ALA 54 16.018 -2.728 -12.144 399 HB3 ALA 54 3HB ALA 54 14.571 -3.094 -11.185 Start of MODEL 16 1 H1 VAL 1 1H VAL 1 -10.280 7.551 -17.738 2 H2 VAL 1 2H VAL 1 -9.795 9.072 -17.330 3 H3 VAL 1 3H VAL 1 -11.386 8.763 -17.530 4 HA VAL 1 HA VAL 1 -10.872 8.966 -15.232 5 HB VAL 1 HB VAL 1 -12.660 7.431 -15.879 6 HG11 VAL 1 1HG1 VAL 1 -10.649 5.148 -15.650 7 HG12 VAL 1 2HG1 VAL 1 -12.400 5.008 -15.868 8 HG13 VAL 1 3HG1 VAL 1 -11.421 5.706 -17.151 9 HG21 VAL 1 1HG2 VAL 1 -12.238 7.772 -13.493 10 HG22 VAL 1 2HG2 VAL 1 -12.817 6.140 -13.810 11 HG23 VAL 1 3HG2 VAL 1 -11.098 6.408 -13.471 12 H THR 2 H THR 2 -9.380 8.826 -13.617 13 HA THR 2 HA THR 2 -6.812 7.480 -14.179 14 HB THR 2 HB THR 2 -7.632 8.806 -11.577 15 HG1 THR 2 HG1 THR 2 -6.352 10.096 -13.746 16 HG21 THR 2 1HG2 THR 2 -4.931 8.460 -12.965 17 HG22 THR 2 2HG2 THR 2 -5.216 9.331 -11.440 18 HG23 THR 2 3HG2 THR 2 -5.485 7.585 -11.519 19 H LYS 3 H LYS 3 -6.326 5.385 -13.575 20 HA LYS 3 HA LYS 3 -7.765 4.099 -11.340 21 HB2 LYS 3 2HB LYS 3 -9.134 3.976 -13.560 22 HB3 LYS 3 3HB LYS 3 -7.857 2.911 -14.134 23 HG2 LYS 3 2HG LYS 3 -9.594 1.507 -13.351 24 HG3 LYS 3 3HG LYS 3 -8.338 1.411 -12.116 25 HD2 LYS 3 2HD LYS 3 -9.558 3.059 -10.736 26 HD3 LYS 3 3HD LYS 3 -10.766 3.262 -12.012 27 HE2 LYS 3 2HE LYS 3 -11.426 0.890 -11.808 28 HE3 LYS 3 3HE LYS 3 -10.175 0.633 -10.574 29 HZ1 LYS 3 1HZ LYS 3 -12.364 1.032 -9.578 30 HZ2 LYS 3 2HZ LYS 3 -11.280 2.200 -9.165 31 HZ3 LYS 3 3HZ LYS 3 -12.444 2.519 -10.299 32 H LYS 4 H LYS 4 -6.542 2.769 -10.301 33 HA LYS 4 HA LYS 4 -4.100 1.562 -11.535 34 HB2 LYS 4 2HB LYS 4 -4.884 2.438 -8.732 35 HB3 LYS 4 3HB LYS 4 -3.548 1.323 -8.940 36 HG2 LYS 4 2HG LYS 4 -3.475 3.627 -10.802 37 HG3 LYS 4 3HG LYS 4 -3.409 4.072 -9.108 38 HD2 LYS 4 2HD LYS 4 -1.171 3.791 -10.232 39 HD3 LYS 4 3HD LYS 4 -1.375 2.753 -8.812 40 HE2 LYS 4 2HE LYS 4 -1.695 0.807 -10.108 41 HE3 LYS 4 3HE LYS 4 -2.087 1.714 -11.563 42 HZ1 LYS 4 1HZ LYS 4 0.621 1.692 -10.391 43 HZ2 LYS 4 2HZ LYS 4 0.124 0.688 -11.599 44 HZ3 LYS 4 3HZ LYS 4 0.175 2.311 -11.838 45 H ALA 5 H ALA 5 -3.427 -0.358 -10.043 46 HA ALA 5 HA ALA 5 -5.336 -2.545 -10.559 47 HB1 ALA 5 1HB ALA 5 -2.592 -2.519 -9.230 48 HB2 ALA 5 2HB ALA 5 -3.536 -3.964 -9.649 49 HB3 ALA 5 3HB ALA 5 -2.921 -2.906 -10.935 50 H SER 6 H SER 6 -6.322 -3.790 -8.843 51 HA SER 6 HA SER 6 -7.001 -2.104 -6.585 52 HB2 SER 6 2HB SER 6 -8.666 -3.487 -6.038 53 HB3 SER 6 3HB SER 6 -8.520 -3.816 -7.763 54 HG SER 6 HG SER 6 -8.755 -5.626 -6.305 55 H HIS 7 H HIS 7 -6.816 -2.560 -4.447 56 HA HIS 7 HA HIS 7 -4.387 -3.130 -3.157 57 HB2 HIS 7 2HB HIS 7 -6.151 -3.586 -1.233 58 HB3 HIS 7 3HB HIS 7 -6.031 -1.991 -1.948 59 HD2 HIS 7 HD2 HIS 7 -8.062 -1.060 -3.383 60 HE1 HIS 7 HE1 HIS 7 -10.583 -4.484 -3.305 61 HE2 HIS 7 HE2 HIS 7 -10.388 -2.073 -4.083 62 H LYS 8 H LYS 8 -7.123 -5.283 -3.524 63 HA LYS 8 HA LYS 8 -6.067 -7.802 -2.710 64 HB2 LYS 8 2HB LYS 8 -8.407 -7.337 -2.993 65 HB3 LYS 8 3HB LYS 8 -8.186 -7.079 -4.717 66 HG2 LYS 8 2HG LYS 8 -9.139 -9.158 -4.408 67 HG3 LYS 8 3HG LYS 8 -7.529 -9.470 -5.009 68 HD2 LYS 8 2HD LYS 8 -6.772 -10.195 -2.829 69 HD3 LYS 8 3HD LYS 8 -8.230 -9.562 -2.054 70 HE2 LYS 8 2HE LYS 8 -9.605 -11.199 -3.368 71 HE3 LYS 8 3HE LYS 8 -8.109 -11.929 -3.966 72 HZ1 LYS 8 1HZ LYS 8 -7.518 -12.500 -1.722 73 HZ2 LYS 8 2HZ LYS 8 -8.797 -11.682 -1.085 74 HZ3 LYS 8 3HZ LYS 8 -9.072 -13.037 -1.955 75 H ASP 9 H ASP 9 -6.254 -6.501 -6.030 76 HA ASP 9 HA ASP 9 -4.936 -8.579 -7.402 77 HB2 ASP 9 2HB ASP 9 -6.147 -6.461 -8.249 78 HB3 ASP 9 3HB ASP 9 -4.572 -5.683 -8.138 79 H ALA 10 H ALA 10 -3.464 -5.649 -5.952 80 HA ALA 10 HA ALA 10 -0.721 -6.500 -6.302 81 HB1 ALA 10 1HB ALA 10 -1.961 -4.362 -4.535 82 HB2 ALA 10 2HB ALA 10 -0.252 -4.472 -4.992 83 HB3 ALA 10 3HB ALA 10 -1.478 -4.137 -6.232 84 H GLY 11 H GLY 11 -2.960 -7.867 -4.278 85 HA2 GLY 11 2HA GLY 11 -2.689 -9.471 -2.707 86 HA3 GLY 11 3HA GLY 11 -0.938 -9.308 -2.833 87 H TYR 12 H TYR 12 -3.030 -6.589 -1.870 88 HA TYR 12 HA TYR 12 -1.436 -6.095 0.364 89 HB2 TYR 12 2HB TYR 12 -2.446 -4.159 0.544 90 HB3 TYR 12 3HB TYR 12 -3.162 -4.537 -0.988 91 HD1 TYR 12 HD1 TYR 12 -5.403 -6.355 -0.349 92 HD2 TYR 12 HD2 TYR 12 -3.912 -2.981 1.885 93 HE1 TYR 12 HE1 TYR 12 -7.595 -6.122 0.825 94 HE2 TYR 12 HE2 TYR 12 -6.098 -2.771 3.045 95 HH TYR 12 HH TYR 12 -8.324 -3.569 3.157 96 H GLN 13 H GLN 13 -1.984 -5.720 2.545 97 HA GLN 13 HA GLN 13 -4.001 -7.509 3.767 98 HB2 GLN 13 2HB GLN 13 -2.227 -7.890 5.643 99 HB3 GLN 13 3HB GLN 13 -2.196 -8.891 4.205 100 HG2 GLN 13 2HG GLN 13 -0.333 -7.648 3.259 101 HG3 GLN 13 3HG GLN 13 -0.420 -6.453 4.562 102 HE21 GLN 13 1HE2 GLN 13 1.387 -6.598 5.632 103 HE22 GLN 13 2HE2 GLN 13 1.859 -8.065 6.449 104 H GLU 14 H GLU 14 -4.536 -6.861 5.952 105 HA GLU 14 HA GLU 14 -5.039 -4.070 6.147 106 HB2 GLU 14 2HB GLU 14 -6.139 -4.634 8.213 107 HB3 GLU 14 3HB GLU 14 -6.409 -5.951 7.067 108 HG2 GLU 14 2HG GLU 14 -4.435 -7.164 8.165 109 HG3 GLU 14 3HG GLU 14 -4.463 -5.911 9.403 110 H SER 15 H SER 15 -2.086 -5.505 6.747 111 HA SER 15 HA SER 15 -1.208 -3.448 8.689 112 HB2 SER 15 2HB SER 15 0.030 -5.393 9.895 113 HB3 SER 15 3HB SER 15 -1.673 -5.138 10.204 114 HG SER 15 HG SER 15 -1.834 -7.143 9.714 115 HA PRO 16 HA PRO 16 2.764 -3.536 6.623 116 HB2 PRO 16 2HB PRO 16 4.051 -3.830 9.294 117 HB3 PRO 16 3HB PRO 16 4.361 -2.614 8.056 118 HG2 PRO 16 2HG PRO 16 2.964 -2.044 10.329 119 HG3 PRO 16 3HG PRO 16 2.492 -1.310 8.767 120 HD2 PRO 16 2HD PRO 16 1.228 -3.655 10.195 121 HD3 PRO 16 3HD PRO 16 0.468 -2.315 9.298 122 H ASN 17 H ASN 17 4.288 -5.048 5.955 123 HA ASN 17 HA ASN 17 4.238 -7.789 7.168 124 HB2 ASN 17 2HB ASN 17 3.871 -7.841 4.813 125 HB3 ASN 17 3HB ASN 17 5.164 -6.718 4.497 126 HD21 ASN 17 1HD2 ASN 17 6.220 -8.272 3.064 127 HD22 ASN 17 2HD2 ASN 17 7.089 -9.633 3.766 128 H GLY 18 H GLY 18 5.246 -6.900 9.083 129 HA2 GLY 18 2HA GLY 18 7.062 -6.511 10.462 130 HA3 GLY 18 3HA GLY 18 8.113 -7.141 9.185 131 H ALA 19 H ALA 19 9.487 -5.700 8.330 132 HA ALA 19 HA ALA 19 9.499 -2.956 9.128 133 HB1 ALA 19 1HB ALA 19 11.106 -4.346 6.946 134 HB2 ALA 19 2HB ALA 19 11.496 -2.805 7.731 135 HB3 ALA 19 3HB ALA 19 11.527 -4.304 8.677 136 H LYS 20 H LYS 20 7.894 -4.451 6.348 137 HA LYS 20 HA LYS 20 7.980 -1.881 4.834 138 HB2 LYS 20 2HB LYS 20 6.874 -4.508 3.848 139 HB3 LYS 20 3HB LYS 20 7.265 -3.058 2.934 140 HG2 LYS 20 2HG LYS 20 9.140 -4.141 2.393 141 HG3 LYS 20 3HG LYS 20 9.746 -3.600 3.961 142 HD2 LYS 20 2HD LYS 20 9.096 -5.766 4.965 143 HD3 LYS 20 3HD LYS 20 8.294 -6.245 3.455 144 HE2 LYS 20 2HE LYS 20 10.565 -5.985 2.315 145 HE3 LYS 20 3HE LYS 20 11.274 -5.873 3.938 146 HZ1 LYS 20 1HZ LYS 20 9.638 -8.132 2.903 147 HZ2 LYS 20 2HZ LYS 20 11.250 -8.171 3.067 148 HZ3 LYS 20 3HZ LYS 20 10.299 -8.070 4.411 149 H ARG 21 H ARG 21 6.360 -0.511 4.819 150 HA ARG 21 HA ARG 21 3.572 -1.451 4.696 151 HB2 ARG 21 2HB ARG 21 2.814 -0.535 6.604 152 HB3 ARG 21 3HB ARG 21 4.485 -0.659 7.153 153 HG2 ARG 21 2HG ARG 21 4.855 1.721 6.400 154 HG3 ARG 21 3HG ARG 21 3.117 1.801 6.035 155 HD2 ARG 21 2HD ARG 21 2.720 1.100 8.473 156 HD3 ARG 21 3HD ARG 21 4.454 1.376 8.709 157 HE ARG 21 HE ARG 21 2.675 3.513 7.598 158 HH11 ARG 21 1HH1 ARG 21 4.640 2.461 10.359 159 HH12 ARG 21 2HH1 ARG 21 4.730 4.101 10.972 160 HH21 ARG 21 1HH2 ARG 21 3.017 5.627 8.520 161 HH22 ARG 21 2HH2 ARG 21 3.538 5.646 10.194 162 H CYS 22 H CYS 22 2.103 0.140 3.754 163 HA CYS 22 HA CYS 22 2.880 1.663 1.698 164 HB2 CYS 22 2HB CYS 22 0.589 2.151 3.635 165 HB3 CYS 22 3HB CYS 22 0.710 2.817 1.992 166 H GLY 23 H GLY 23 2.227 3.350 4.836 167 HA2 GLY 23 2HA GLY 23 3.025 5.404 5.600 168 HA3 GLY 23 3HA GLY 23 4.436 4.375 5.621 169 H THR 24 H THR 24 6.018 4.632 3.986 170 HA THR 24 HA THR 24 5.775 6.953 2.133 171 HB THR 24 HB THR 24 8.365 6.906 2.171 172 HG1 THR 24 HG1 THR 24 8.823 5.192 3.444 173 HG21 THR 24 1HG2 THR 24 7.058 8.783 3.041 174 HG22 THR 24 2HG2 THR 24 6.765 7.917 4.564 175 HG23 THR 24 3HG2 THR 24 8.408 8.433 4.133 176 H CYS 25 H CYS 25 6.666 3.570 2.529 177 HA CYS 25 HA CYS 25 7.295 1.907 1.117 178 HB2 CYS 25 2HB CYS 25 4.926 2.019 0.836 179 HB3 CYS 25 3HB CYS 25 5.046 3.217 -0.416 180 H ARG 26 H ARG 26 7.341 1.618 -1.593 181 HA ARG 26 HA ARG 26 9.273 3.621 -2.740 182 HB2 ARG 26 2HB ARG 26 8.663 0.735 -3.427 183 HB3 ARG 26 3HB ARG 26 9.415 1.824 -4.598 184 HG2 ARG 26 2HG ARG 26 11.283 2.269 -3.140 185 HG3 ARG 26 3HG ARG 26 10.572 1.327 -1.819 186 HD2 ARG 26 2HD ARG 26 10.899 -0.730 -2.917 187 HD3 ARG 26 3HD ARG 26 11.004 0.025 -4.505 188 HE ARG 26 HE ARG 26 13.193 0.802 -4.095 189 HH11 ARG 26 1HH1 ARG 26 12.188 -1.288 -1.420 190 HH12 ARG 26 2HH1 ARG 26 13.811 -1.947 -1.276 191 HH21 ARG 26 1HH2 ARG 26 15.213 0.092 -3.613 192 HH22 ARG 26 2HH2 ARG 26 15.441 -1.123 -2.339 193 H GLN 27 H GLN 27 5.988 2.852 -2.545 194 HA GLN 27 HA GLN 27 5.381 4.334 -5.080 195 HB2 GLN 27 2HB GLN 27 4.253 1.712 -4.052 196 HB3 GLN 27 3HB GLN 27 3.533 2.603 -5.384 197 HG2 GLN 27 2HG GLN 27 6.390 1.532 -5.437 198 HG3 GLN 27 3HG GLN 27 5.003 0.672 -6.046 199 HE21 GLN 27 1HE2 GLN 27 6.950 3.631 -6.549 200 HE22 GLN 27 2HE2 GLN 27 6.461 3.811 -8.250 201 H PHE 28 H PHE 28 4.844 4.644 -1.761 202 HA PHE 28 HA PHE 28 1.980 5.000 -1.879 203 HB2 PHE 28 2HB PHE 28 3.241 4.399 0.138 204 HB3 PHE 28 3HB PHE 28 3.872 6.038 0.243 205 HD1 PHE 28 HD1 PHE 28 0.601 4.163 -0.055 206 HD2 PHE 28 HD2 PHE 28 2.663 7.553 1.629 207 HE1 PHE 28 HE1 PHE 28 -1.416 4.732 1.260 208 HE2 PHE 28 HE2 PHE 28 0.635 8.117 2.954 209 HZ PHE 28 HZ PHE 28 -1.411 6.717 2.754 210 H ARG 29 H ARG 29 0.751 6.893 -1.640 211 HA ARG 29 HA ARG 29 1.969 9.408 -2.700 212 HB2 ARG 29 2HB ARG 29 1.190 7.894 -4.516 213 HB3 ARG 29 3HB ARG 29 -0.414 7.890 -3.817 214 HG2 ARG 29 2HG ARG 29 -0.440 9.390 -5.647 215 HG3 ARG 29 3HG ARG 29 -0.544 10.331 -4.158 216 HD2 ARG 29 2HD ARG 29 1.902 10.830 -4.331 217 HD3 ARG 29 3HD ARG 29 1.978 9.856 -5.807 218 HE ARG 29 HE ARG 29 0.011 12.072 -5.845 219 HH11 ARG 29 1HH1 ARG 29 3.365 11.298 -6.797 220 HH12 ARG 29 2HH1 ARG 29 3.141 12.267 -8.248 221 HH21 ARG 29 1HH2 ARG 29 0.014 13.343 -7.537 222 HH22 ARG 29 2HH2 ARG 29 1.447 13.514 -8.553 223 HA PRO 30 HA PRO 30 -0.476 9.712 1.065 224 HB2 PRO 30 2HB PRO 30 0.730 11.882 2.295 225 HB3 PRO 30 3HB PRO 30 1.416 10.230 2.247 226 HG2 PRO 30 2HG PRO 30 2.018 12.558 0.406 227 HG3 PRO 30 3HG PRO 30 3.180 11.471 1.239 228 HD2 PRO 30 2HD PRO 30 2.483 11.069 -1.340 229 HD3 PRO 30 3HD PRO 30 2.699 9.681 -0.226 230 HA PRO 31 HA PRO 31 -1.257 10.790 3.045 231 HB2 PRO 31 2HB PRO 31 -3.583 11.300 4.290 232 HB3 PRO 31 3HB PRO 31 -2.383 12.592 3.989 233 HG2 PRO 31 2HG PRO 31 -4.826 11.894 2.319 234 HG3 PRO 31 3HG PRO 31 -4.372 13.501 2.977 235 HD2 PRO 31 2HD PRO 31 -3.731 12.733 0.428 236 HD3 PRO 31 3HD PRO 31 -2.644 13.761 1.407 237 H SER 32 H SER 32 -3.511 9.958 0.513 238 HA SER 32 HA SER 32 -4.053 7.326 1.782 239 HB2 SER 32 2HB SER 32 -6.499 7.652 1.477 240 HB3 SER 32 3HB SER 32 -5.777 8.776 2.628 241 HG SER 32 HG SER 32 -6.905 9.271 0.130 242 H SER 33 H SER 33 -2.651 8.244 -0.842 243 HA SER 33 HA SER 33 -4.138 6.334 -2.613 244 HB2 SER 33 2HB SER 33 -2.539 8.751 -3.478 245 HB3 SER 33 3HB SER 33 -3.361 7.602 -4.531 246 HG SER 33 HG SER 33 -4.497 9.528 -4.181 247 H CYS 34 H CYS 34 -2.651 5.461 -4.379 248 HA CYS 34 HA CYS 34 0.194 5.147 -3.602 249 HB2 CYS 34 2HB CYS 34 -0.857 3.380 -2.378 250 HB3 CYS 34 3HB CYS 34 -1.860 2.915 -3.751 251 H ILE 35 H ILE 35 1.522 4.346 -5.248 252 HA ILE 35 HA ILE 35 0.583 4.843 -8.025 253 HB ILE 35 HB ILE 35 3.398 4.555 -6.921 254 HG12 ILE 35 2HG1 ILE 35 1.822 7.015 -7.828 255 HG13 ILE 35 3HG1 ILE 35 2.203 6.609 -6.158 256 HG21 ILE 35 1HG2 ILE 35 3.323 3.890 -9.312 257 HG22 ILE 35 2HG2 ILE 35 2.484 5.402 -9.711 258 HG23 ILE 35 3HG2 ILE 35 4.163 5.396 -9.117 259 HD11 ILE 35 1HD1 ILE 35 4.641 6.797 -6.683 260 HD12 ILE 35 2HD1 ILE 35 4.193 7.431 -8.286 261 HD13 ILE 35 3HD1 ILE 35 3.708 8.303 -6.834 262 H THR 36 H THR 36 1.081 2.188 -5.906 263 HA THR 36 HA THR 36 0.989 0.251 -8.191 264 HB THR 36 HB THR 36 0.797 -0.281 -5.209 265 HG1 THR 36 HG1 THR 36 2.803 -0.403 -5.130 266 HG21 THR 36 1HG2 THR 36 1.337 -2.536 -5.773 267 HG22 THR 36 2HG2 THR 36 -0.076 -2.093 -6.731 268 HG23 THR 36 3HG2 THR 36 1.519 -2.140 -7.510 269 H VAL 37 H VAL 37 -0.881 1.365 -5.364 270 HA VAL 37 HA VAL 37 -3.156 -0.302 -6.258 271 HB VAL 37 HB VAL 37 -1.992 0.496 -3.578 272 HG11 VAL 37 1HG1 VAL 37 -4.744 -0.726 -3.959 273 HG12 VAL 37 2HG1 VAL 37 -3.805 -0.767 -2.442 274 HG13 VAL 37 3HG1 VAL 37 -4.309 0.774 -3.101 275 HG21 VAL 37 1HG2 VAL 37 -1.098 -1.504 -4.677 276 HG22 VAL 37 2HG2 VAL 37 -2.001 -1.961 -3.248 277 HG23 VAL 37 3HG2 VAL 37 -2.741 -2.165 -4.859 278 H GLU 38 H GLU 38 -5.197 0.279 -6.253 279 HA GLU 38 HA GLU 38 -6.218 2.811 -6.685 280 HB2 GLU 38 2HB GLU 38 -7.318 0.298 -5.431 281 HB3 GLU 38 3HB GLU 38 -8.302 1.714 -5.487 282 HG2 GLU 38 2HG GLU 38 -7.019 0.458 -7.954 283 HG3 GLU 38 3HG GLU 38 -8.646 0.096 -7.385 284 H SER 39 H SER 39 -7.417 4.250 -5.617 285 HA SER 39 HA SER 39 -6.718 4.782 -2.765 286 HB2 SER 39 2HB SER 39 -5.939 6.346 -4.510 287 HB3 SER 39 3HB SER 39 -7.630 6.710 -4.885 288 HG SER 39 HG SER 39 -6.128 7.882 -3.162 289 HA PRO 40 HA PRO 40 -7.592 6.012 -0.978 290 HB2 PRO 40 2HB PRO 40 -8.863 5.562 1.364 291 HB3 PRO 40 3HB PRO 40 -9.359 6.864 0.238 292 HG2 PRO 40 2HG PRO 40 -10.535 4.069 0.479 293 HG3 PRO 40 3HG PRO 40 -11.409 5.636 0.475 294 HD2 PRO 40 2HD PRO 40 -11.107 4.133 -1.791 295 HD3 PRO 40 3HD PRO 40 -11.078 5.921 -1.834 296 H ILE 41 H ILE 41 -5.969 5.093 0.168 297 HA ILE 41 HA ILE 41 -6.078 2.261 1.059 298 HB ILE 41 HB ILE 41 -5.001 2.108 -1.043 299 HG12 ILE 41 2HG1 ILE 41 -2.669 1.439 -0.572 300 HG13 ILE 41 3HG1 ILE 41 -2.784 2.122 1.043 301 HG21 ILE 41 1HG2 ILE 41 -3.216 4.438 -0.268 302 HG22 ILE 41 2HG2 ILE 41 -3.021 3.408 -1.702 303 HG23 ILE 41 3HG2 ILE 41 -4.463 4.389 -1.543 304 HD11 ILE 41 1HD1 ILE 41 -4.515 -0.143 -0.062 305 HD12 ILE 41 2HD1 ILE 41 -3.092 -0.340 0.976 306 HD13 ILE 41 3HD1 ILE 41 -4.533 0.460 1.613 307 H SER 42 H SER 42 -5.145 1.864 2.970 308 HA SER 42 HA SER 42 -4.627 4.037 4.760 309 HB2 SER 42 2HB SER 42 -5.472 1.698 5.265 310 HB3 SER 42 3HB SER 42 -3.795 1.165 5.238 311 HG SER 42 HG SER 42 -3.840 1.828 7.253 312 H GLU 43 H GLU 43 -2.756 4.792 5.671 313 HA GLU 43 HA GLU 43 -0.240 4.360 4.303 314 HB2 GLU 43 2HB GLU 43 0.724 5.872 5.895 315 HB3 GLU 43 3HB GLU 43 -0.673 6.543 5.094 316 HG2 GLU 43 2HG GLU 43 -2.054 6.166 7.098 317 HG3 GLU 43 3HG GLU 43 -0.656 5.438 7.904 318 H ASN 44 H ASN 44 -1.637 2.183 6.098 319 HA ASN 44 HA ASN 44 0.976 0.934 6.718 320 HB2 ASN 44 2HB ASN 44 0.140 -0.075 8.757 321 HB3 ASN 44 3HB ASN 44 -0.066 1.672 8.870 322 HD21 ASN 44 1HD2 ASN 44 -1.404 0.650 10.680 323 HD22 ASN 44 2HD2 ASN 44 -3.077 0.867 10.215 324 H GLY 45 H GLY 45 -1.506 0.697 4.606 325 HA2 GLY 45 2HA GLY 45 -2.396 -2.057 5.023 326 HA3 GLY 45 3HA GLY 45 -2.905 -0.936 3.761 327 H TRP 46 H TRP 46 0.201 -2.499 4.663 328 HA TRP 46 HA TRP 46 1.532 -2.201 2.302 329 HB2 TRP 46 2HB TRP 46 2.466 -3.198 4.420 330 HB3 TRP 46 3HB TRP 46 1.595 -4.656 4.070 331 HD1 TRP 46 HD1 TRP 46 4.448 -2.591 2.447 332 HE1 TRP 46 HE1 TRP 46 5.937 -4.183 1.088 333 HE3 TRP 46 HE3 TRP 46 1.776 -6.892 2.976 334 HZ2 TRP 46 HZ2 TRP 46 6.177 -7.039 0.686 335 HZ3 TRP 46 HZ3 TRP 46 2.640 -9.051 2.091 336 HH2 TRP 46 HH2 TRP 46 4.838 -9.131 0.943 337 H CYS 47 H CYS 47 1.596 -2.938 0.290 338 HA CYS 47 HA CYS 47 0.284 -5.510 -0.419 339 HB2 CYS 47 2HB CYS 47 -0.403 -4.648 -2.463 340 HB3 CYS 47 3HB CYS 47 -0.518 -3.179 -1.466 341 H ARG 48 H ARG 48 1.224 -6.536 -2.334 342 HA ARG 48 HA ARG 48 4.017 -7.149 -1.610 343 HB2 ARG 48 2HB ARG 48 2.116 -8.535 -3.544 344 HB3 ARG 48 3HB ARG 48 3.648 -9.169 -2.914 345 HG2 ARG 48 2HG ARG 48 2.712 -9.080 -0.602 346 HG3 ARG 48 3HG ARG 48 1.164 -8.522 -1.258 347 HD2 ARG 48 2HD ARG 48 1.025 -10.613 -2.615 348 HD3 ARG 48 3HD ARG 48 2.539 -11.126 -1.853 349 HE ARG 48 HE ARG 48 0.100 -10.448 -0.232 350 HH11 ARG 48 1HH1 ARG 48 2.593 -12.887 -0.950 351 HH12 ARG 48 2HH1 ARG 48 1.897 -13.987 0.206 352 HH21 ARG 48 1HH2 ARG 48 -0.540 -11.872 1.318 353 HH22 ARG 48 2HH2 ARG 48 0.393 -13.352 1.580 354 H LEU 49 H LEU 49 2.610 -5.087 -3.824 355 HA LEU 49 HA LEU 49 4.785 -5.427 -5.838 356 HB2 LEU 49 2HB LEU 49 1.913 -4.621 -6.025 357 HB3 LEU 49 3HB LEU 49 3.052 -3.888 -7.146 358 HG LEU 49 HG LEU 49 3.756 -6.121 -7.930 359 HD11 LEU 49 1HD1 LEU 49 1.531 -7.091 -6.086 360 HD12 LEU 49 2HD1 LEU 49 2.167 -8.039 -7.446 361 HD13 LEU 49 3HD1 LEU 49 3.232 -7.605 -6.109 362 HD21 LEU 49 1HD2 LEU 49 2.052 -4.818 -9.098 363 HD22 LEU 49 2HD2 LEU 49 1.692 -6.547 -9.209 364 HD23 LEU 49 3HD2 LEU 49 0.772 -5.531 -8.073 365 H TYR 50 H TYR 50 4.770 -3.965 -3.195 366 HA TYR 50 HA TYR 50 5.147 -1.247 -3.360 367 HB2 TYR 50 2HB TYR 50 6.254 -1.491 -1.276 368 HB3 TYR 50 3HB TYR 50 4.913 -2.615 -1.334 369 HD1 TYR 50 HD1 TYR 50 5.564 -5.128 -1.946 370 HD2 TYR 50 HD2 TYR 50 8.316 -2.162 -0.542 371 HE1 TYR 50 HE1 TYR 50 7.244 -6.919 -1.511 372 HE2 TYR 50 HE2 TYR 50 9.981 -3.934 -0.011 373 HH TYR 50 HH TYR 50 10.485 -6.135 -0.162 374 H ALA 51 H ALA 51 6.220 -1.405 -5.644 375 HA ALA 51 HA ALA 51 9.183 -1.072 -5.444 376 HB1 ALA 51 1HB ALA 51 9.463 -2.756 -7.227 377 HB2 ALA 51 2HB ALA 51 8.691 -3.457 -5.788 378 HB3 ALA 51 3HB ALA 51 7.706 -3.061 -7.212 379 H GLY 52 H GLY 52 10.143 0.151 -7.043 380 HA2 GLY 52 2HA GLY 52 9.689 0.809 -9.475 381 HA3 GLY 52 3HA GLY 52 8.337 1.745 -8.825 382 H LYS 53 H LYS 53 10.273 2.311 -6.422 383 HA LYS 53 HA LYS 53 11.922 4.477 -7.626 384 HB2 LYS 53 2HB LYS 53 10.471 4.237 -4.971 385 HB3 LYS 53 3HB LYS 53 11.891 5.245 -5.123 386 HG2 LYS 53 2HG LYS 53 9.688 6.419 -5.274 387 HG3 LYS 53 3HG LYS 53 10.858 6.795 -6.537 388 HD2 LYS 53 2HD LYS 53 9.627 5.684 -8.210 389 HD3 LYS 53 3HD LYS 53 8.723 4.728 -7.047 390 HE2 LYS 53 2HE LYS 53 7.286 6.376 -8.071 391 HE3 LYS 53 3HE LYS 53 7.416 6.641 -6.327 392 HZ1 LYS 53 1HZ LYS 53 9.100 8.140 -8.242 393 HZ2 LYS 53 2HZ LYS 53 7.594 8.663 -7.828 394 HZ3 LYS 53 3HZ LYS 53 8.757 8.518 -6.677 395 H ALA 54 H ALA 54 13.960 4.371 -7.282 396 HA ALA 54 HA ALA 54 15.433 2.137 -7.197 397 HB1 ALA 54 1HB ALA 54 16.287 4.880 -6.175 398 HB2 ALA 54 2HB ALA 54 17.388 3.594 -6.696 399 HB3 ALA 54 3HB ALA 54 16.277 4.324 -7.864 Start of MODEL 17 1 H1 VAL 1 1H VAL 1 -4.247 10.190 -16.402 2 H2 VAL 1 2H VAL 1 -2.661 10.465 -16.061 3 H3 VAL 1 3H VAL 1 -3.725 10.070 -14.858 4 HA VAL 1 HA VAL 1 -2.931 8.306 -17.090 5 HB VAL 1 HB VAL 1 -1.870 6.880 -15.427 6 HG11 VAL 1 1HG1 VAL 1 -0.532 8.610 -16.617 7 HG12 VAL 1 2HG1 VAL 1 -0.765 9.714 -15.240 8 HG13 VAL 1 3HG1 VAL 1 0.116 8.194 -15.025 9 HG21 VAL 1 1HG2 VAL 1 -3.119 7.442 -13.393 10 HG22 VAL 1 2HG2 VAL 1 -1.391 7.707 -13.157 11 HG23 VAL 1 3HG2 VAL 1 -2.459 9.091 -13.408 12 H THR 2 H THR 2 -3.763 6.093 -16.950 13 HA THR 2 HA THR 2 -6.543 5.974 -16.074 14 HB THR 2 HB THR 2 -5.589 4.779 -18.077 15 HG1 THR 2 HG1 THR 2 -6.949 3.032 -17.735 16 HG21 THR 2 1HG2 THR 2 -3.615 3.692 -16.927 17 HG22 THR 2 2HG2 THR 2 -4.758 2.654 -16.049 18 HG23 THR 2 3HG2 THR 2 -4.651 2.569 -17.818 19 H LYS 3 H LYS 3 -7.418 4.325 -14.611 20 HA LYS 3 HA LYS 3 -6.190 4.451 -12.023 21 HB2 LYS 3 2HB LYS 3 -8.628 4.559 -12.591 22 HB3 LYS 3 3HB LYS 3 -8.595 2.830 -12.943 23 HG2 LYS 3 2HG LYS 3 -7.967 2.375 -10.570 24 HG3 LYS 3 3HG LYS 3 -7.953 4.130 -10.263 25 HD2 LYS 3 2HD LYS 3 -10.357 4.248 -10.930 26 HD3 LYS 3 3HD LYS 3 -10.346 2.507 -11.220 27 HE2 LYS 3 2HE LYS 3 -11.417 2.999 -9.126 28 HE3 LYS 3 3HE LYS 3 -9.945 2.073 -8.833 29 HZ1 LYS 3 1HZ LYS 3 -8.881 4.031 -8.011 30 HZ2 LYS 3 2HZ LYS 3 -10.016 5.028 -8.643 31 HZ3 LYS 3 3HZ LYS 3 -10.404 4.076 -7.365 32 H LYS 4 H LYS 4 -5.263 2.962 -10.761 33 HA LYS 4 HA LYS 4 -3.667 0.944 -12.000 34 HB2 LYS 4 2HB LYS 4 -4.046 2.083 -9.219 35 HB3 LYS 4 3HB LYS 4 -3.030 0.666 -9.382 36 HG2 LYS 4 2HG LYS 4 -2.608 3.021 -11.193 37 HG3 LYS 4 3HG LYS 4 -1.925 2.998 -9.557 38 HD2 LYS 4 2HD LYS 4 -0.716 0.902 -10.118 39 HD3 LYS 4 3HD LYS 4 -1.419 0.918 -11.742 40 HE2 LYS 4 2HE LYS 4 -0.373 3.184 -12.082 41 HE3 LYS 4 3HE LYS 4 0.432 3.013 -10.529 42 HZ1 LYS 4 1HZ LYS 4 0.751 1.139 -12.810 43 HZ2 LYS 4 2HZ LYS 4 1.819 2.322 -12.436 44 HZ3 LYS 4 3HZ LYS 4 1.618 1.072 -11.408 45 H ALA 5 H ALA 5 -3.138 -0.975 -10.586 46 HA ALA 5 HA ALA 5 -5.139 -3.077 -10.689 47 HB1 ALA 5 1HB ALA 5 -2.564 -2.781 -9.048 48 HB2 ALA 5 2HB ALA 5 -3.496 -4.276 -9.226 49 HB3 ALA 5 3HB ALA 5 -2.702 -3.568 -10.636 50 H SER 6 H SER 6 -6.565 -3.815 -9.053 51 HA SER 6 HA SER 6 -7.169 -2.017 -6.869 52 HB2 SER 6 2HB SER 6 -8.531 -3.856 -5.938 53 HB3 SER 6 3HB SER 6 -8.974 -3.351 -7.567 54 HG SER 6 HG SER 6 -8.064 -5.110 -8.427 55 H HIS 7 H HIS 7 -6.638 -2.128 -4.749 56 HA HIS 7 HA HIS 7 -4.010 -2.922 -4.002 57 HB2 HIS 7 2HB HIS 7 -5.102 -2.408 -1.670 58 HB3 HIS 7 3HB HIS 7 -4.882 -1.145 -2.851 59 HD2 HIS 7 HD2 HIS 7 -6.896 0.349 -3.326 60 HE1 HIS 7 HE1 HIS 7 -10.074 -2.347 -2.446 61 HE2 HIS 7 HE2 HIS 7 -9.507 0.017 -3.213 62 H LYS 8 H LYS 8 -7.047 -4.563 -3.636 63 HA LYS 8 HA LYS 8 -6.332 -7.048 -2.435 64 HB2 LYS 8 2HB LYS 8 -8.258 -6.448 -4.716 65 HB3 LYS 8 3HB LYS 8 -8.233 -7.947 -3.804 66 HG2 LYS 8 2HG LYS 8 -8.841 -5.192 -2.670 67 HG3 LYS 8 3HG LYS 8 -10.011 -6.392 -3.182 68 HD2 LYS 8 2HD LYS 8 -8.002 -6.734 -0.898 69 HD3 LYS 8 3HD LYS 8 -9.713 -6.353 -0.715 70 HE2 LYS 8 2HE LYS 8 -10.301 -8.505 -1.849 71 HE3 LYS 8 3HE LYS 8 -8.581 -8.902 -1.947 72 HZ1 LYS 8 1HZ LYS 8 -8.519 -8.851 0.515 73 HZ2 LYS 8 2HZ LYS 8 -10.130 -8.524 0.551 74 HZ3 LYS 8 3HZ LYS 8 -9.606 -9.948 -0.021 75 H ASP 9 H ASP 9 -6.492 -6.398 -5.939 76 HA ASP 9 HA ASP 9 -5.327 -8.789 -6.915 77 HB2 ASP 9 2HB ASP 9 -6.409 -6.852 -8.226 78 HB3 ASP 9 3HB ASP 9 -4.836 -6.084 -8.174 79 H ALA 10 H ALA 10 -3.778 -5.794 -5.938 80 HA ALA 10 HA ALA 10 -1.041 -6.623 -6.320 81 HB1 ALA 10 1HB ALA 10 -2.341 -4.341 -4.786 82 HB2 ALA 10 2HB ALA 10 -0.623 -4.452 -5.181 83 HB3 ALA 10 3HB ALA 10 -1.825 -4.306 -6.485 84 H GLY 11 H GLY 11 -3.135 -7.788 -3.985 85 HA2 GLY 11 2HA GLY 11 -2.743 -9.099 -2.182 86 HA3 GLY 11 3HA GLY 11 -1.014 -9.037 -2.529 87 H TYR 12 H TYR 12 -3.034 -6.203 -1.736 88 HA TYR 12 HA TYR 12 -1.317 -5.605 0.513 89 HB2 TYR 12 2HB TYR 12 -1.970 -3.525 0.313 90 HB3 TYR 12 3HB TYR 12 -2.620 -4.002 -1.228 91 HD1 TYR 12 HD1 TYR 12 -5.192 -5.385 -0.468 92 HD2 TYR 12 HD2 TYR 12 -3.291 -1.888 1.194 93 HE1 TYR 12 HE1 TYR 12 -7.409 -4.518 0.252 94 HE2 TYR 12 HE2 TYR 12 -5.516 -1.001 1.856 95 HH TYR 12 HH TYR 12 -8.485 -2.917 1.464 96 H GLN 13 H GLN 13 -2.264 -4.684 2.508 97 HA GLN 13 HA GLN 13 -4.319 -6.377 3.789 98 HB2 GLN 13 2HB GLN 13 -2.462 -6.781 5.630 99 HB3 GLN 13 3HB GLN 13 -2.591 -7.813 4.234 100 HG2 GLN 13 2HG GLN 13 -0.715 -6.612 3.122 101 HG3 GLN 13 3HG GLN 13 -0.654 -5.512 4.502 102 HE21 GLN 13 1HE2 GLN 13 1.246 -5.828 5.251 103 HE22 GLN 13 2HE2 GLN 13 1.757 -7.342 5.947 104 H GLU 14 H GLU 14 -4.290 -5.784 6.247 105 HA GLU 14 HA GLU 14 -4.654 -2.836 6.406 106 HB2 GLU 14 2HB GLU 14 -6.212 -3.314 8.168 107 HB3 GLU 14 3HB GLU 14 -6.523 -4.354 6.770 108 HG2 GLU 14 2HG GLU 14 -5.261 -6.205 7.948 109 HG3 GLU 14 3HG GLU 14 -5.118 -5.148 9.357 110 H SER 15 H SER 15 -2.188 -4.812 7.223 111 HA SER 15 HA SER 15 -1.119 -2.778 9.001 112 HB2 SER 15 2HB SER 15 -0.336 -4.716 10.641 113 HB3 SER 15 3HB SER 15 -1.851 -3.861 10.864 114 HG SER 15 HG SER 15 -2.472 -5.907 10.978 115 HA PRO 16 HA PRO 16 2.500 -3.365 6.898 116 HB2 PRO 16 2HB PRO 16 4.143 -3.546 9.395 117 HB3 PRO 16 3HB PRO 16 4.298 -2.402 8.045 118 HG2 PRO 16 2HG PRO 16 3.176 -1.673 10.430 119 HG3 PRO 16 3HG PRO 16 2.602 -1.023 8.871 120 HD2 PRO 16 2HD PRO 16 1.308 -3.098 10.608 121 HD3 PRO 16 3HD PRO 16 0.610 -1.878 9.518 122 H ASN 17 H ASN 17 4.061 -4.776 6.051 123 HA ASN 17 HA ASN 17 4.052 -7.596 7.037 124 HB2 ASN 17 2HB ASN 17 3.565 -7.287 4.639 125 HB3 ASN 17 3HB ASN 17 5.031 -6.354 4.432 126 HD21 ASN 17 1HD2 ASN 17 5.114 -8.231 2.708 127 HD22 ASN 17 2HD2 ASN 17 5.874 -9.723 3.253 128 H GLY 18 H GLY 18 5.411 -7.538 8.807 129 HA2 GLY 18 2HA GLY 18 7.444 -7.651 9.923 130 HA3 GLY 18 3HA GLY 18 8.197 -7.829 8.335 131 H ALA 19 H ALA 19 9.366 -6.163 7.518 132 HA ALA 19 HA ALA 19 9.802 -3.758 9.149 133 HB1 ALA 19 1HB ALA 19 11.665 -5.072 8.232 134 HB2 ALA 19 2HB ALA 19 11.106 -4.719 6.581 135 HB3 ALA 19 3HB ALA 19 11.661 -3.400 7.639 136 H LYS 20 H LYS 20 7.837 -4.498 6.314 137 HA LYS 20 HA LYS 20 8.029 -1.668 5.343 138 HB2 LYS 20 2HB LYS 20 7.051 -4.089 3.791 139 HB3 LYS 20 3HB LYS 20 7.343 -2.462 3.195 140 HG2 LYS 20 2HG LYS 20 9.308 -3.311 2.500 141 HG3 LYS 20 3HG LYS 20 9.828 -2.983 4.155 142 HD2 LYS 20 2HD LYS 20 9.148 -5.382 4.722 143 HD3 LYS 20 3HD LYS 20 8.825 -5.632 2.998 144 HE2 LYS 20 2HE LYS 20 11.186 -5.038 2.471 145 HE3 LYS 20 3HE LYS 20 11.500 -4.770 4.191 146 HZ1 LYS 20 1HZ LYS 20 10.820 -7.361 2.913 147 HZ2 LYS 20 2HZ LYS 20 12.214 -6.956 3.641 148 HZ3 LYS 20 3HZ LYS 20 10.876 -7.136 4.556 149 H ARG 21 H ARG 21 6.361 -0.372 5.110 150 HA ARG 21 HA ARG 21 3.550 -1.385 5.326 151 HB2 ARG 21 2HB ARG 21 2.985 0.129 6.883 152 HB3 ARG 21 3HB ARG 21 4.664 0.035 7.332 153 HG2 ARG 21 2HG ARG 21 4.992 2.156 5.843 154 HG3 ARG 21 3HG ARG 21 3.234 2.219 5.797 155 HD2 ARG 21 2HD ARG 21 3.460 2.005 8.441 156 HD3 ARG 21 3HD ARG 21 5.074 2.651 8.138 157 HE ARG 21 HE ARG 21 2.506 3.954 7.234 158 HH11 ARG 21 1HH1 ARG 21 5.775 4.513 8.529 159 HH12 ARG 21 2HH1 ARG 21 5.563 6.230 8.399 160 HH21 ARG 21 1HH2 ARG 21 2.248 6.152 7.635 161 HH22 ARG 21 2HH2 ARG 21 3.679 7.104 7.797 162 H CYS 22 H CYS 22 2.083 0.525 4.445 163 HA CYS 22 HA CYS 22 2.998 1.440 1.824 164 HB2 CYS 22 2HB CYS 22 0.548 2.169 3.484 165 HB3 CYS 22 3HB CYS 22 0.900 2.757 1.848 166 H GLY 23 H GLY 23 1.766 4.101 3.542 167 HA2 GLY 23 2HA GLY 23 2.613 6.050 4.392 168 HA3 GLY 23 3HA GLY 23 3.882 5.026 5.062 169 H THR 24 H THR 24 5.631 4.482 3.437 170 HA THR 24 HA THR 24 6.078 6.398 1.206 171 HB THR 24 HB THR 24 8.443 6.610 1.689 172 HG1 THR 24 HG1 THR 24 7.827 5.059 3.983 173 HG21 THR 24 1HG2 THR 24 6.934 7.356 4.219 174 HG22 THR 24 2HG2 THR 24 8.455 8.043 3.618 175 HG23 THR 24 3HG2 THR 24 6.953 8.312 2.717 176 H CYS 25 H CYS 25 6.158 3.155 2.388 177 HA CYS 25 HA CYS 25 7.327 1.283 1.842 178 HB2 CYS 25 2HB CYS 25 5.965 0.148 0.400 179 HB3 CYS 25 3HB CYS 25 4.970 1.454 0.907 180 H ARG 26 H ARG 26 7.248 1.530 -1.428 181 HA ARG 26 HA ARG 26 9.819 2.969 -1.756 182 HB2 ARG 26 2HB ARG 26 8.768 0.628 -3.404 183 HB3 ARG 26 3HB ARG 26 10.061 1.696 -3.965 184 HG2 ARG 26 2HG ARG 26 10.192 -0.024 -1.453 185 HG3 ARG 26 3HG ARG 26 10.912 -0.433 -3.013 186 HD2 ARG 26 2HD ARG 26 12.322 1.563 -2.955 187 HD3 ARG 26 3HD ARG 26 11.578 2.079 -1.458 188 HE ARG 26 HE ARG 26 13.650 0.061 -1.824 189 HH11 ARG 26 1HH1 ARG 26 11.199 1.150 0.512 190 HH12 ARG 26 2HH1 ARG 26 11.994 0.250 1.784 191 HH21 ARG 26 1HH2 ARG 26 14.668 -0.778 -0.070 192 HH22 ARG 26 2HH2 ARG 26 13.991 -0.583 1.520 193 H GLN 27 H GLN 27 6.494 3.102 -2.094 194 HA GLN 27 HA GLN 27 6.822 5.530 -3.739 195 HB2 GLN 27 2HB GLN 27 6.245 3.813 -5.329 196 HB3 GLN 27 3HB GLN 27 4.844 3.322 -4.382 197 HG2 GLN 27 2HG GLN 27 4.303 4.667 -6.389 198 HG3 GLN 27 3HG GLN 27 3.678 5.368 -4.903 199 HE21 GLN 27 1HE2 GLN 27 4.363 7.491 -4.301 200 HE22 GLN 27 2HE2 GLN 27 5.506 8.400 -5.289 201 H PHE 28 H PHE 28 3.871 3.911 -2.412 202 HA PHE 28 HA PHE 28 1.975 4.826 -1.651 203 HB2 PHE 28 2HB PHE 28 3.373 4.701 0.411 204 HB3 PHE 28 3HB PHE 28 3.772 6.397 0.209 205 HD1 PHE 28 HD1 PHE 28 0.656 4.228 0.254 206 HD2 PHE 28 HD2 PHE 28 2.472 7.950 1.444 207 HE1 PHE 28 HE1 PHE 28 -1.369 4.806 1.541 208 HE2 PHE 28 HE2 PHE 28 0.453 8.512 2.762 209 HZ PHE 28 HZ PHE 28 -1.485 6.948 2.798 210 H ARG 29 H ARG 29 0.627 6.875 -1.077 211 HA ARG 29 HA ARG 29 1.665 9.417 -2.076 212 HB2 ARG 29 2HB ARG 29 0.777 8.403 -4.129 213 HB3 ARG 29 3HB ARG 29 -0.770 8.126 -3.359 214 HG2 ARG 29 2HG ARG 29 -0.938 10.004 -4.802 215 HG3 ARG 29 3HG ARG 29 -1.076 10.608 -3.143 216 HD2 ARG 29 2HD ARG 29 1.379 11.220 -3.233 217 HD3 ARG 29 3HD ARG 29 1.391 10.715 -4.933 218 HE ARG 29 HE ARG 29 -0.682 12.581 -4.728 219 HH11 ARG 29 1HH1 ARG 29 2.816 12.613 -4.470 220 HH12 ARG 29 2HH1 ARG 29 2.905 14.341 -4.689 221 HH21 ARG 29 1HH2 ARG 29 -0.468 14.808 -5.013 222 HH22 ARG 29 2HH2 ARG 29 1.119 15.534 -4.847 223 HA PRO 30 HA PRO 30 -0.833 10.132 1.651 224 HB2 PRO 30 2HB PRO 30 0.168 12.946 1.179 225 HB3 PRO 30 3HB PRO 30 0.041 12.038 2.718 226 HG2 PRO 30 2HG PRO 30 2.434 12.265 1.486 227 HG3 PRO 30 3HG PRO 30 1.927 10.679 2.160 228 HD2 PRO 30 2HD PRO 30 1.783 11.637 -0.716 229 HD3 PRO 30 3HD PRO 30 2.364 10.066 -0.070 230 HA PRO 31 HA PRO 31 -2.204 11.191 3.111 231 HB2 PRO 31 2HB PRO 31 -4.744 11.403 3.991 232 HB3 PRO 31 3HB PRO 31 -3.765 12.839 3.561 233 HG2 PRO 31 2HG PRO 31 -5.830 11.412 1.844 234 HG3 PRO 31 3HG PRO 31 -5.683 13.169 2.169 235 HD2 PRO 31 2HD PRO 31 -4.641 11.980 -0.077 236 HD3 PRO 31 3HD PRO 31 -3.878 13.391 0.711 237 H SER 32 H SER 32 -4.464 9.652 0.869 238 HA SER 32 HA SER 32 -4.219 7.011 2.199 239 HB2 SER 32 2HB SER 32 -6.640 6.696 2.173 240 HB3 SER 32 3HB SER 32 -6.198 8.071 3.190 241 HG SER 32 HG SER 32 -8.019 8.198 1.548 242 H SER 33 H SER 33 -3.000 7.876 -0.232 243 HA SER 33 HA SER 33 -4.481 6.333 -2.317 244 HB2 SER 33 2HB SER 33 -2.829 8.856 -2.692 245 HB3 SER 33 3HB SER 33 -3.596 7.913 -3.974 246 HG SER 33 HG SER 33 -4.717 9.823 -3.219 247 H CYS 34 H CYS 34 -2.984 5.587 -4.095 248 HA CYS 34 HA CYS 34 -0.139 5.385 -3.339 249 HB2 CYS 34 2HB CYS 34 -1.148 3.331 -2.445 250 HB3 CYS 34 3HB CYS 34 -1.821 2.943 -4.032 251 H ILE 35 H ILE 35 1.021 4.296 -5.235 252 HA ILE 35 HA ILE 35 -0.116 5.039 -7.854 253 HB ILE 35 HB ILE 35 2.757 5.759 -7.599 254 HG12 ILE 35 2HG1 ILE 35 0.569 7.607 -6.561 255 HG13 ILE 35 3HG1 ILE 35 1.945 6.960 -5.657 256 HG21 ILE 35 1HG2 ILE 35 0.413 7.045 -9.071 257 HG22 ILE 35 2HG2 ILE 35 2.135 7.332 -9.380 258 HG23 ILE 35 3HG2 ILE 35 1.431 5.769 -9.762 259 HD11 ILE 35 1HD1 ILE 35 1.989 9.066 -7.834 260 HD12 ILE 35 2HD1 ILE 35 2.511 9.191 -6.149 261 HD13 ILE 35 3HD1 ILE 35 3.459 8.224 -7.290 262 H THR 36 H THR 36 0.939 2.621 -6.063 263 HA THR 36 HA THR 36 1.700 1.087 -8.525 264 HB THR 36 HB THR 36 1.940 -0.274 -5.904 265 HG1 THR 36 HG1 THR 36 3.205 1.065 -5.098 266 HG21 THR 36 1HG2 THR 36 3.788 -0.045 -8.305 267 HG22 THR 36 2HG2 THR 36 3.974 -1.154 -6.939 268 HG23 THR 36 3HG2 THR 36 2.595 -1.346 -8.039 269 H VAL 37 H VAL 37 -0.621 1.551 -5.953 270 HA VAL 37 HA VAL 37 -2.472 -0.417 -7.192 271 HB VAL 37 HB VAL 37 -3.160 -1.263 -5.145 272 HG11 VAL 37 1HG1 VAL 37 -0.141 -1.034 -4.783 273 HG12 VAL 37 2HG1 VAL 37 -1.197 -2.301 -4.187 274 HG13 VAL 37 3HG1 VAL 37 -0.929 -2.121 -5.942 275 HG21 VAL 37 1HG2 VAL 37 -3.167 0.775 -3.717 276 HG22 VAL 37 2HG2 VAL 37 -2.378 -0.594 -2.935 277 HG23 VAL 37 3HG2 VAL 37 -1.391 0.689 -3.635 278 H GLU 38 H GLU 38 -4.771 -0.065 -6.526 279 HA GLU 38 HA GLU 38 -5.808 2.471 -7.004 280 HB2 GLU 38 2HB GLU 38 -6.866 -0.034 -5.719 281 HB3 GLU 38 3HB GLU 38 -7.813 1.419 -5.519 282 HG2 GLU 38 2HG GLU 38 -7.797 1.760 -7.978 283 HG3 GLU 38 3HG GLU 38 -7.042 0.174 -8.162 284 H SER 39 H SER 39 -7.017 3.901 -5.836 285 HA SER 39 HA SER 39 -6.593 4.165 -2.901 286 HB2 SER 39 2HB SER 39 -7.475 6.484 -3.188 287 HB3 SER 39 3HB SER 39 -5.953 6.197 -4.043 288 HG SER 39 HG SER 39 -7.505 7.317 -5.316 289 HA PRO 40 HA PRO 40 -7.850 5.399 -1.257 290 HB2 PRO 40 2HB PRO 40 -9.417 4.945 0.862 291 HB3 PRO 40 3HB PRO 40 -9.922 6.073 -0.432 292 HG2 PRO 40 2HG PRO 40 -10.708 3.146 -0.131 293 HG3 PRO 40 3HG PRO 40 -11.786 4.553 -0.358 294 HD2 PRO 40 2HD PRO 40 -10.949 3.014 -2.448 295 HD3 PRO 40 3HD PRO 40 -11.198 4.772 -2.627 296 H ILE 41 H ILE 41 -6.386 4.640 0.225 297 HA ILE 41 HA ILE 41 -6.274 1.767 0.968 298 HB ILE 41 HB ILE 41 -5.270 2.209 -1.276 299 HG12 ILE 41 2HG1 ILE 41 -4.655 0.215 -0.074 300 HG13 ILE 41 3HG1 ILE 41 -3.465 0.811 -1.201 301 HG21 ILE 41 1HG2 ILE 41 -3.082 3.228 -1.482 302 HG22 ILE 41 2HG2 ILE 41 -4.313 4.375 -0.964 303 HG23 ILE 41 3HG2 ILE 41 -3.134 3.760 0.212 304 HD11 ILE 41 1HD1 ILE 41 -2.165 1.767 0.787 305 HD12 ILE 41 2HD1 ILE 41 -3.234 0.762 1.804 306 HD13 ILE 41 3HD1 ILE 41 -2.211 0.021 0.585 307 H SER 42 H SER 42 -4.942 1.373 2.817 308 HA SER 42 HA SER 42 -4.813 3.551 4.722 309 HB2 SER 42 2HB SER 42 -5.265 1.175 5.306 310 HB3 SER 42 3HB SER 42 -3.596 0.767 4.882 311 HG SER 42 HG SER 42 -3.608 1.154 7.042 312 H GLU 43 H GLU 43 -3.019 4.590 5.629 313 HA GLU 43 HA GLU 43 -0.527 4.647 4.140 314 HB2 GLU 43 2HB GLU 43 0.260 6.155 5.817 315 HB3 GLU 43 3HB GLU 43 -1.368 6.626 5.347 316 HG2 GLU 43 2HG GLU 43 -2.333 5.861 7.337 317 HG3 GLU 43 3HG GLU 43 -0.947 4.869 7.766 318 H ASN 44 H ASN 44 -1.630 2.248 6.200 319 HA ASN 44 HA ASN 44 1.140 1.560 7.098 320 HB2 ASN 44 2HB ASN 44 0.239 0.629 9.096 321 HB3 ASN 44 3HB ASN 44 -0.465 2.236 8.914 322 HD21 ASN 44 1HD2 ASN 44 -1.973 1.548 10.487 323 HD22 ASN 44 2HD2 ASN 44 -3.397 0.734 9.824 324 H GLY 45 H GLY 45 -1.010 0.473 4.767 325 HA2 GLY 45 2HA GLY 45 -1.419 -2.213 5.456 326 HA3 GLY 45 3HA GLY 45 -1.501 -1.558 3.823 327 H TRP 46 H TRP 46 0.824 -1.111 2.939 328 HA TRP 46 HA TRP 46 2.494 -2.045 1.826 329 HB2 TRP 46 2HB TRP 46 3.634 -2.897 3.784 330 HB3 TRP 46 3HB TRP 46 2.641 -4.346 3.761 331 HD1 TRP 46 HD1 TRP 46 5.341 -2.589 1.683 332 HE1 TRP 46 HE1 TRP 46 6.486 -4.313 0.153 333 HE3 TRP 46 HE3 TRP 46 2.290 -6.603 2.506 334 HZ2 TRP 46 HZ2 TRP 46 6.344 -7.157 -0.329 335 HZ3 TRP 46 HZ3 TRP 46 2.759 -8.788 1.419 336 HH2 TRP 46 HH2 TRP 46 4.804 -9.084 0.032 337 H CYS 47 H CYS 47 2.514 -3.217 -0.042 338 HA CYS 47 HA CYS 47 0.522 -5.382 -0.430 339 HB2 CYS 47 2HB CYS 47 -0.140 -4.497 -2.548 340 HB3 CYS 47 3HB CYS 47 -0.138 -3.089 -1.473 341 H ARG 48 H ARG 48 1.058 -6.862 -2.137 342 HA ARG 48 HA ARG 48 3.867 -7.643 -2.081 343 HB2 ARG 48 2HB ARG 48 1.533 -8.710 -3.746 344 HB3 ARG 48 3HB ARG 48 3.113 -9.475 -3.586 345 HG2 ARG 48 2HG ARG 48 2.722 -9.784 -1.144 346 HG3 ARG 48 3HG ARG 48 1.150 -9.008 -1.299 347 HD2 ARG 48 2HD ARG 48 0.780 -11.384 -1.295 348 HD3 ARG 48 3HD ARG 48 0.421 -10.741 -2.903 349 HE ARG 48 HE ARG 48 3.157 -11.788 -2.512 350 HH11 ARG 48 1HH1 ARG 48 -0.083 -12.608 -3.743 351 HH12 ARG 48 2HH1 ARG 48 0.632 -13.744 -4.891 352 HH21 ARG 48 1HH2 ARG 48 3.816 -13.491 -3.815 353 HH22 ARG 48 2HH2 ARG 48 2.645 -14.198 -4.921 354 H LEU 49 H LEU 49 1.975 -5.644 -4.151 355 HA LEU 49 HA LEU 49 3.648 -6.010 -6.513 356 HB2 LEU 49 2HB LEU 49 1.099 -5.691 -6.354 357 HB3 LEU 49 3HB LEU 49 1.450 -3.982 -6.076 358 HG LEU 49 HG LEU 49 2.557 -3.897 -8.330 359 HD11 LEU 49 1HD1 LEU 49 3.215 -6.265 -8.619 360 HD12 LEU 49 2HD1 LEU 49 1.507 -6.758 -8.573 361 HD13 LEU 49 3HD1 LEU 49 2.122 -5.774 -9.914 362 HD21 LEU 49 1HD2 LEU 49 0.178 -3.308 -8.048 363 HD22 LEU 49 2HD2 LEU 49 0.468 -4.074 -9.621 364 HD23 LEU 49 3HD2 LEU 49 -0.279 -5.008 -8.317 365 H TYR 50 H TYR 50 3.819 -3.953 -3.786 366 HA TYR 50 HA TYR 50 4.473 -1.524 -4.472 367 HB2 TYR 50 2HB TYR 50 5.535 -1.243 -2.451 368 HB3 TYR 50 3HB TYR 50 4.473 -2.606 -2.192 369 HD1 TYR 50 HD1 TYR 50 5.843 -4.996 -2.941 370 HD2 TYR 50 HD2 TYR 50 7.497 -1.400 -1.239 371 HE1 TYR 50 HE1 TYR 50 7.795 -6.288 -2.134 372 HE2 TYR 50 HE2 TYR 50 9.426 -2.714 -0.357 373 HH TYR 50 HH TYR 50 9.739 -6.237 -0.987 374 H ALA 51 H ALA 51 6.190 -0.164 -4.838 375 HA ALA 51 HA ALA 51 7.272 -0.727 -7.261 376 HB1 ALA 51 1HB ALA 51 6.704 1.509 -6.384 377 HB2 ALA 51 2HB ALA 51 8.172 1.493 -5.378 378 HB3 ALA 51 3HB ALA 51 8.306 1.484 -7.143 379 H GLY 52 H GLY 52 9.212 -1.026 -8.271 380 HA2 GLY 52 2HA GLY 52 11.499 -1.968 -6.732 381 HA3 GLY 52 3HA GLY 52 11.261 -2.159 -8.445 382 H LYS 53 H LYS 53 12.859 -0.473 -6.165 383 HA LYS 53 HA LYS 53 13.478 1.914 -7.864 384 HB2 LYS 53 2HB LYS 53 13.259 1.426 -4.934 385 HB3 LYS 53 3HB LYS 53 14.547 2.506 -5.445 386 HG2 LYS 53 2HG LYS 53 12.380 3.600 -4.819 387 HG3 LYS 53 3HG LYS 53 13.099 4.079 -6.350 388 HD2 LYS 53 2HD LYS 53 11.435 2.684 -7.582 389 HD3 LYS 53 3HD LYS 53 10.781 2.136 -6.041 390 HE2 LYS 53 2HE LYS 53 9.314 3.853 -6.807 391 HE3 LYS 53 3HE LYS 53 10.269 4.571 -5.506 392 HZ1 LYS 53 1HZ LYS 53 10.786 4.963 -8.401 393 HZ2 LYS 53 2HZ LYS 53 10.113 6.064 -7.359 394 HZ3 LYS 53 3HZ LYS 53 11.677 5.610 -7.199 395 H ALA 54 H ALA 54 15.180 1.468 -9.147 396 HA ALA 54 HA ALA 54 17.331 -0.353 -8.309 397 HB1 ALA 54 1HB ALA 54 18.170 -0.074 -10.580 398 HB2 ALA 54 2HB ALA 54 16.441 -0.467 -10.598 399 HB3 ALA 54 3HB ALA 54 16.982 1.200 -10.901 Start of MODEL 18 1 H1 VAL 1 1H VAL 1 6.404 5.337 -16.302 2 H2 VAL 1 2H VAL 1 6.031 6.886 -16.663 3 H3 VAL 1 3H VAL 1 4.983 5.673 -17.037 4 HA VAL 1 HA VAL 1 5.793 6.210 -14.259 5 HB VAL 1 HB VAL 1 3.480 7.433 -15.779 6 HG11 VAL 1 1HG1 VAL 1 3.942 7.517 -12.762 7 HG12 VAL 1 2HG1 VAL 1 2.731 8.442 -13.666 8 HG13 VAL 1 3HG1 VAL 1 2.600 6.691 -13.583 9 HG21 VAL 1 1HG2 VAL 1 5.631 8.679 -15.890 10 HG22 VAL 1 2HG2 VAL 1 4.451 9.545 -14.915 11 HG23 VAL 1 3HG2 VAL 1 5.746 8.632 -14.117 12 H THR 2 H THR 2 4.859 4.811 -12.790 13 HA THR 2 HA THR 2 3.844 2.297 -13.744 14 HB THR 2 HB THR 2 3.761 3.540 -10.974 15 HG1 THR 2 HG1 THR 2 5.606 1.659 -12.013 16 HG21 THR 2 1HG2 THR 2 2.292 1.646 -10.909 17 HG22 THR 2 2HG2 THR 2 3.410 0.655 -11.873 18 HG23 THR 2 3HG2 THR 2 3.827 1.118 -10.212 19 H LYS 3 H LYS 3 1.772 1.469 -13.879 20 HA LYS 3 HA LYS 3 -0.521 3.336 -13.450 21 HB2 LYS 3 2HB LYS 3 -0.094 2.096 -15.693 22 HB3 LYS 3 3HB LYS 3 -0.607 0.653 -14.819 23 HG2 LYS 3 2HG LYS 3 -2.514 1.351 -15.950 24 HG3 LYS 3 3HG LYS 3 -2.797 1.915 -14.301 25 HD2 LYS 3 2HD LYS 3 -2.021 4.199 -15.004 26 HD3 LYS 3 3HD LYS 3 -1.789 3.610 -16.648 27 HE2 LYS 3 2HE LYS 3 -4.455 3.656 -15.146 28 HE3 LYS 3 3HE LYS 3 -3.914 4.881 -16.292 29 HZ1 LYS 3 1HZ LYS 3 -3.812 3.079 -17.997 30 HZ2 LYS 3 2HZ LYS 3 -4.541 2.059 -16.906 31 HZ3 LYS 3 3HZ LYS 3 -5.323 3.386 -17.451 32 H LYS 4 H LYS 4 -1.960 2.978 -11.828 33 HA LYS 4 HA LYS 4 -1.626 1.129 -9.777 34 HB2 LYS 4 2HB LYS 4 -4.136 2.548 -10.577 35 HB3 LYS 4 3HB LYS 4 -3.824 1.757 -9.032 36 HG2 LYS 4 2HG LYS 4 -2.039 3.224 -8.501 37 HG3 LYS 4 3HG LYS 4 -1.935 3.904 -10.077 38 HD2 LYS 4 2HD LYS 4 -3.023 5.490 -8.562 39 HD3 LYS 4 3HD LYS 4 -4.006 5.037 -9.955 40 HE2 LYS 4 2HE LYS 4 -4.963 3.198 -8.298 41 HE3 LYS 4 3HE LYS 4 -4.338 4.278 -7.053 42 HZ1 LYS 4 1HZ LYS 4 -5.689 6.067 -8.187 43 HZ2 LYS 4 2HZ LYS 4 -6.252 4.939 -9.238 44 HZ3 LYS 4 3HZ LYS 4 -6.677 4.852 -7.661 45 H ALA 5 H ALA 5 -2.448 -0.716 -9.201 46 HA ALA 5 HA ALA 5 -4.401 -2.236 -10.890 47 HB1 ALA 5 1HB ALA 5 -3.364 -4.282 -10.018 48 HB2 ALA 5 2HB ALA 5 -2.145 -3.296 -10.833 49 HB3 ALA 5 3HB ALA 5 -2.216 -3.323 -9.056 50 H SER 6 H SER 6 -5.633 -3.909 -9.272 51 HA SER 6 HA SER 6 -6.865 -2.190 -7.256 52 HB2 SER 6 2HB SER 6 -8.279 -4.113 -6.726 53 HB3 SER 6 3HB SER 6 -8.267 -3.741 -8.458 54 HG SER 6 HG SER 6 -6.950 -5.429 -8.849 55 H HIS 7 H HIS 7 -6.953 -2.529 -5.077 56 HA HIS 7 HA HIS 7 -4.907 -3.165 -3.289 57 HB2 HIS 7 2HB HIS 7 -7.032 -3.705 -1.846 58 HB3 HIS 7 3HB HIS 7 -6.757 -2.076 -2.458 59 HD2 HIS 7 HD2 HIS 7 -8.606 -1.025 -4.048 60 HE1 HIS 7 HE1 HIS 7 -11.143 -4.425 -4.439 61 HE2 HIS 7 HE2 HIS 7 -10.948 -1.941 -4.867 62 H LYS 8 H LYS 8 -6.458 -5.294 -5.183 63 HA LYS 8 HA LYS 8 -6.198 -7.733 -3.499 64 HB2 LYS 8 2HB LYS 8 -8.489 -7.001 -4.161 65 HB3 LYS 8 3HB LYS 8 -8.039 -7.208 -5.848 66 HG2 LYS 8 2HG LYS 8 -9.261 -9.065 -5.094 67 HG3 LYS 8 3HG LYS 8 -7.632 -9.636 -5.431 68 HD2 LYS 8 2HD LYS 8 -7.062 -9.784 -3.104 69 HD3 LYS 8 3HD LYS 8 -8.470 -8.842 -2.605 70 HE2 LYS 8 2HE LYS 8 -9.971 -10.688 -3.277 71 HE3 LYS 8 3HE LYS 8 -8.593 -11.599 -3.909 72 HZ1 LYS 8 1HZ LYS 8 -9.057 -12.439 -1.741 73 HZ2 LYS 8 2HZ LYS 8 -7.684 -11.588 -1.593 74 HZ3 LYS 8 3HZ LYS 8 -9.065 -10.935 -1.052 75 H ASP 9 H ASP 9 -6.107 -6.930 -6.984 76 HA ASP 9 HA ASP 9 -4.374 -8.997 -7.823 77 HB2 ASP 9 2HB ASP 9 -5.534 -7.093 -9.199 78 HB3 ASP 9 3HB ASP 9 -4.088 -6.183 -8.863 79 H ALA 10 H ALA 10 -3.545 -5.874 -6.378 80 HA ALA 10 HA ALA 10 -0.683 -6.385 -6.310 81 HB1 ALA 10 1HB ALA 10 -2.348 -4.223 -4.962 82 HB2 ALA 10 2HB ALA 10 -0.593 -4.210 -5.190 83 HB3 ALA 10 3HB ALA 10 -1.667 -4.122 -6.602 84 H GLY 11 H GLY 11 -3.050 -7.765 -4.377 85 HA2 GLY 11 2HA GLY 11 -2.943 -8.925 -2.417 86 HA3 GLY 11 3HA GLY 11 -1.194 -8.912 -2.633 87 H TYR 12 H TYR 12 -3.294 -6.065 -1.941 88 HA TYR 12 HA TYR 12 -1.498 -5.312 0.202 89 HB2 TYR 12 2HB TYR 12 -2.071 -3.498 -1.046 90 HB3 TYR 12 3HB TYR 12 -3.728 -3.941 -1.222 91 HD1 TYR 12 HD1 TYR 12 -5.361 -3.680 0.687 92 HD2 TYR 12 HD2 TYR 12 -1.394 -1.972 0.704 93 HE1 TYR 12 HE1 TYR 12 -6.063 -2.043 2.424 94 HE2 TYR 12 HE2 TYR 12 -2.115 -0.313 2.381 95 HH TYR 12 HH TYR 12 -5.481 -0.249 3.678 96 H GLN 13 H GLN 13 -1.837 -5.004 2.297 97 HA GLN 13 HA GLN 13 -4.285 -6.048 3.633 98 HB2 GLN 13 2HB GLN 13 -2.700 -6.645 5.571 99 HB3 GLN 13 3HB GLN 13 -2.803 -7.752 4.223 100 HG2 GLN 13 2HG GLN 13 -0.659 -6.973 3.331 101 HG3 GLN 13 3HG GLN 13 -0.590 -5.684 4.546 102 HE21 GLN 13 1HE2 GLN 13 0.737 -5.995 6.105 103 HE22 GLN 13 2HE2 GLN 13 1.006 -7.551 6.851 104 H GLU 14 H GLU 14 -4.828 -4.965 5.579 105 HA GLU 14 HA GLU 14 -4.151 -2.125 5.348 106 HB2 GLU 14 2HB GLU 14 -6.056 -1.646 6.472 107 HB3 GLU 14 3HB GLU 14 -6.478 -3.121 5.604 108 HG2 GLU 14 2HG GLU 14 -5.955 -4.384 7.740 109 HG3 GLU 14 3HG GLU 14 -5.835 -2.837 8.569 110 H SER 15 H SER 15 -2.477 -4.391 6.812 111 HA SER 15 HA SER 15 -1.413 -2.502 8.858 112 HB2 SER 15 2HB SER 15 -0.412 -4.620 9.961 113 HB3 SER 15 3HB SER 15 -2.070 -4.190 10.283 114 HG SER 15 HG SER 15 -2.759 -5.843 9.069 115 HA PRO 16 HA PRO 16 2.592 -2.914 6.886 116 HB2 PRO 16 2HB PRO 16 3.800 -3.223 9.581 117 HB3 PRO 16 3HB PRO 16 4.155 -2.007 8.351 118 HG2 PRO 16 2HG PRO 16 2.767 -1.364 10.618 119 HG3 PRO 16 3HG PRO 16 2.332 -0.648 9.035 120 HD2 PRO 16 2HD PRO 16 1.001 -3.021 10.418 121 HD3 PRO 16 3HD PRO 16 0.279 -1.591 9.669 122 H ASN 17 H ASN 17 3.938 -4.641 6.326 123 HA ASN 17 HA ASN 17 3.401 -7.302 7.593 124 HB2 ASN 17 2HB ASN 17 2.931 -7.205 5.203 125 HB3 ASN 17 3HB ASN 17 4.471 -6.502 4.886 126 HD21 ASN 17 1HD2 ASN 17 4.649 -8.346 3.361 127 HD22 ASN 17 2HD2 ASN 17 5.122 -9.917 3.963 128 H GLY 18 H GLY 18 4.610 -6.445 9.422 129 HA2 GLY 18 2HA GLY 18 6.474 -6.176 10.748 130 HA3 GLY 18 3HA GLY 18 7.233 -7.378 9.710 131 H ALA 19 H ALA 19 8.867 -6.759 8.399 132 HA ALA 19 HA ALA 19 10.225 -4.358 8.893 133 HB1 ALA 19 1HB ALA 19 10.523 -6.385 6.639 134 HB2 ALA 19 2HB ALA 19 11.737 -5.170 7.086 135 HB3 ALA 19 3HB ALA 19 11.301 -6.449 8.232 136 H LYS 20 H LYS 20 7.660 -4.821 6.543 137 HA LYS 20 HA LYS 20 8.389 -2.267 5.127 138 HB2 LYS 20 2HB LYS 20 6.856 -4.584 3.951 139 HB3 LYS 20 3HB LYS 20 7.543 -3.194 3.120 140 HG2 LYS 20 2HG LYS 20 9.224 -4.589 2.565 141 HG3 LYS 20 3HG LYS 20 9.815 -4.370 4.208 142 HD2 LYS 20 2HD LYS 20 8.271 -6.351 4.833 143 HD3 LYS 20 3HD LYS 20 8.034 -6.597 3.096 144 HE2 LYS 20 2HE LYS 20 10.477 -6.859 2.783 145 HE3 LYS 20 3HE LYS 20 10.740 -6.579 4.504 146 HZ1 LYS 20 1HZ LYS 20 9.351 -8.905 3.294 147 HZ2 LYS 20 2HZ LYS 20 10.760 -8.906 4.080 148 HZ3 LYS 20 3HZ LYS 20 9.382 -8.596 4.938 149 H ARG 21 H ARG 21 6.818 -0.770 4.701 150 HA ARG 21 HA ARG 21 3.968 -1.477 4.861 151 HB2 ARG 21 2HB ARG 21 3.389 -0.292 6.659 152 HB3 ARG 21 3HB ARG 21 5.076 -0.439 7.128 153 HG2 ARG 21 2HG ARG 21 5.512 1.819 6.096 154 HG3 ARG 21 3HG ARG 21 3.768 1.921 5.776 155 HD2 ARG 21 2HD ARG 21 3.432 1.486 8.285 156 HD3 ARG 21 3HD ARG 21 5.150 1.808 8.463 157 HE ARG 21 HE ARG 21 3.073 3.725 7.431 158 HH11 ARG 21 1HH1 ARG 21 6.325 3.412 8.880 159 HH12 ARG 21 2HH1 ARG 21 6.482 5.162 8.854 160 HH21 ARG 21 1HH2 ARG 21 3.283 5.811 8.007 161 HH22 ARG 21 2HH2 ARG 21 4.869 6.421 8.467 162 H CYS 22 H CYS 22 2.553 0.211 3.843 163 HA CYS 22 HA CYS 22 3.350 1.218 1.403 164 HB2 CYS 22 2HB CYS 22 1.270 2.243 3.404 165 HB3 CYS 22 3HB CYS 22 1.336 2.743 1.716 166 H GLY 23 H GLY 23 3.235 3.239 4.379 167 HA2 GLY 23 2HA GLY 23 4.496 5.552 3.374 168 HA3 GLY 23 3HA GLY 23 4.399 5.039 5.057 169 H THR 24 H THR 24 6.067 2.554 3.658 170 HA THR 24 HA THR 24 8.725 3.856 3.507 171 HB THR 24 HB THR 24 9.732 1.976 4.757 172 HG1 THR 24 HG1 THR 24 8.453 0.649 5.954 173 HG21 THR 24 1HG2 THR 24 7.630 3.432 6.404 174 HG22 THR 24 2HG2 THR 24 9.128 2.685 6.993 175 HG23 THR 24 3HG2 THR 24 9.211 4.097 5.930 176 H CYS 25 H CYS 25 6.541 2.267 1.675 177 HA CYS 25 HA CYS 25 8.311 0.281 0.461 178 HB2 CYS 25 2HB CYS 25 6.418 -0.335 -0.800 179 HB3 CYS 25 3HB CYS 25 5.714 0.144 0.754 180 H ARG 26 H ARG 26 7.689 3.568 -0.022 181 HA ARG 26 HA ARG 26 8.483 5.174 -1.393 182 HB2 ARG 26 2HB ARG 26 9.692 3.224 -3.328 183 HB3 ARG 26 3HB ARG 26 10.044 4.935 -3.097 184 HG2 ARG 26 2HG ARG 26 10.798 4.319 -0.735 185 HG3 ARG 26 3HG ARG 26 10.757 2.643 -1.214 186 HD2 ARG 26 2HD ARG 26 12.419 4.786 -2.548 187 HD3 ARG 26 3HD ARG 26 13.019 3.460 -1.549 188 HE ARG 26 HE ARG 26 12.183 1.868 -3.244 189 HH11 ARG 26 1HH1 ARG 26 12.883 5.133 -4.411 190 HH12 ARG 26 2HH1 ARG 26 12.656 4.652 -6.084 191 HH21 ARG 26 1HH2 ARG 26 12.331 1.318 -5.477 192 HH22 ARG 26 2HH2 ARG 26 12.668 2.591 -6.603 193 H GLN 27 H GLN 27 5.904 3.508 -1.818 194 HA GLN 27 HA GLN 27 5.224 4.850 -4.402 195 HB2 GLN 27 2HB GLN 27 5.706 2.288 -4.228 196 HB3 GLN 27 3HB GLN 27 4.148 2.212 -3.440 197 HG2 GLN 27 2HG GLN 27 3.899 1.619 -5.674 198 HG3 GLN 27 3HG GLN 27 3.081 3.148 -5.477 199 HE21 GLN 27 1HE2 GLN 27 4.046 1.865 -7.964 200 HE22 GLN 27 2HE2 GLN 27 5.021 3.138 -8.702 201 H PHE 28 H PHE 28 4.105 4.441 -1.137 202 HA PHE 28 HA PHE 28 1.405 5.045 -1.390 203 HB2 PHE 28 2HB PHE 28 2.407 4.530 0.726 204 HB3 PHE 28 3HB PHE 28 3.443 5.950 0.666 205 HD1 PHE 28 HD1 PHE 28 -0.189 4.939 0.712 206 HD2 PHE 28 HD2 PHE 28 2.734 7.962 1.684 207 HE1 PHE 28 HE1 PHE 28 -1.962 6.328 1.755 208 HE2 PHE 28 HE2 PHE 28 0.966 9.337 2.738 209 HZ PHE 28 HZ PHE 28 -1.387 8.528 2.764 210 H ARG 29 H ARG 29 0.149 6.928 -1.275 211 HA ARG 29 HA ARG 29 1.292 9.474 -2.313 212 HB2 ARG 29 2HB ARG 29 0.734 7.880 -4.154 213 HB3 ARG 29 3HB ARG 29 -0.921 7.823 -3.592 214 HG2 ARG 29 2HG ARG 29 -0.827 9.271 -5.469 215 HG3 ARG 29 3HG ARG 29 -1.140 10.252 -4.035 216 HD2 ARG 29 2HD ARG 29 1.233 10.952 -3.988 217 HD3 ARG 29 3HD ARG 29 1.605 9.833 -5.312 218 HE ARG 29 HE ARG 29 -0.441 11.580 -6.215 219 HH11 ARG 29 1HH1 ARG 29 3.053 11.732 -5.488 220 HH12 ARG 29 2HH1 ARG 29 3.172 13.237 -6.385 221 HH21 ARG 29 1HH2 ARG 29 -0.043 13.529 -7.324 222 HH22 ARG 29 2HH2 ARG 29 1.619 14.116 -7.363 223 HA PRO 30 HA PRO 30 -1.531 10.198 1.123 224 HB2 PRO 30 2HB PRO 30 -0.990 12.863 1.661 225 HB3 PRO 30 3HB PRO 30 0.055 11.497 2.152 226 HG2 PRO 30 2HG PRO 30 0.291 13.231 -0.324 227 HG3 PRO 30 3HG PRO 30 1.580 12.817 0.844 228 HD2 PRO 30 2HD PRO 30 1.326 11.450 -1.456 229 HD3 PRO 30 3HD PRO 30 1.668 10.548 0.057 230 HA PRO 31 HA PRO 31 -2.862 11.339 2.620 231 HB2 PRO 31 2HB PRO 31 -5.431 11.479 3.430 232 HB3 PRO 31 3HB PRO 31 -4.476 12.945 3.056 233 HG2 PRO 31 2HG PRO 31 -6.439 11.507 1.239 234 HG3 PRO 31 3HG PRO 31 -6.371 13.256 1.630 235 HD2 PRO 31 2HD PRO 31 -5.200 12.211 -0.620 236 HD3 PRO 31 3HD PRO 31 -4.484 13.586 0.263 237 H SER 32 H SER 32 -4.918 9.721 0.204 238 HA SER 32 HA SER 32 -4.861 7.182 1.759 239 HB2 SER 32 2HB SER 32 -6.825 8.601 2.372 240 HB3 SER 32 3HB SER 32 -7.340 8.543 0.689 241 HG SER 32 HG SER 32 -8.437 6.984 1.502 242 H SER 33 H SER 33 -3.397 7.874 -0.689 243 HA SER 33 HA SER 33 -4.584 5.893 -2.583 244 HB2 SER 33 2HB SER 33 -3.154 8.460 -3.361 245 HB3 SER 33 3HB SER 33 -3.814 7.241 -4.453 246 HG SER 33 HG SER 33 -5.320 8.820 -2.619 247 H CYS 34 H CYS 34 -2.957 5.111 -4.203 248 HA CYS 34 HA CYS 34 -0.116 5.179 -3.355 249 HB2 CYS 34 2HB CYS 34 -0.932 3.194 -2.312 250 HB3 CYS 34 3HB CYS 34 -1.886 2.738 -3.711 251 H ILE 35 H ILE 35 1.305 4.602 -5.131 252 HA ILE 35 HA ILE 35 0.213 5.444 -7.775 253 HB ILE 35 HB ILE 35 3.007 5.149 -6.683 254 HG12 ILE 35 2HG1 ILE 35 1.606 7.614 -7.781 255 HG13 ILE 35 3HG1 ILE 35 1.545 7.153 -6.085 256 HG21 ILE 35 1HG2 ILE 35 3.910 5.986 -8.812 257 HG22 ILE 35 2HG2 ILE 35 3.063 4.482 -9.093 258 HG23 ILE 35 3HG2 ILE 35 2.286 6.015 -9.519 259 HD11 ILE 35 1HD1 ILE 35 4.007 7.258 -5.935 260 HD12 ILE 35 2HD1 ILE 35 4.080 7.840 -7.615 261 HD13 ILE 35 3HD1 ILE 35 3.276 8.811 -6.382 262 H THR 36 H THR 36 1.180 2.507 -6.161 263 HA THR 36 HA THR 36 1.024 0.945 -8.715 264 HB THR 36 HB THR 36 1.957 0.226 -5.925 265 HG1 THR 36 HG1 THR 36 3.805 -0.194 -6.972 266 HG21 THR 36 1HG2 THR 36 1.632 -1.648 -8.305 267 HG22 THR 36 2HG2 THR 36 2.552 -1.998 -6.821 268 HG23 THR 36 3HG2 THR 36 0.810 -1.789 -6.729 269 H VAL 37 H VAL 37 -0.808 1.733 -5.794 270 HA VAL 37 HA VAL 37 -2.843 -0.314 -6.552 271 HB VAL 37 HB VAL 37 -2.071 0.526 -3.746 272 HG11 VAL 37 1HG1 VAL 37 -3.696 -1.807 -4.829 273 HG12 VAL 37 2HG1 VAL 37 -3.243 -1.558 -3.123 274 HG13 VAL 37 3HG1 VAL 37 -4.342 -0.426 -3.898 275 HG21 VAL 37 1HG2 VAL 37 -0.145 -0.619 -4.614 276 HG22 VAL 37 2HG2 VAL 37 -1.025 -1.793 -3.659 277 HG23 VAL 37 3HG2 VAL 37 -1.162 -1.834 -5.431 278 H GLU 38 H GLU 38 -4.946 0.137 -6.524 279 HA GLU 38 HA GLU 38 -6.178 2.633 -6.468 280 HB2 GLU 38 2HB GLU 38 -7.147 -0.138 -5.732 281 HB3 GLU 38 3HB GLU 38 -8.204 1.260 -5.588 282 HG2 GLU 38 2HG GLU 38 -7.718 1.839 -7.977 283 HG3 GLU 38 3HG GLU 38 -6.840 0.317 -8.138 284 H SER 39 H SER 39 -7.523 3.715 -5.127 285 HA SER 39 HA SER 39 -6.942 3.786 -2.222 286 HB2 SER 39 2HB SER 39 -8.039 6.026 -2.373 287 HB3 SER 39 3HB SER 39 -6.594 5.876 -3.384 288 HG SER 39 HG SER 39 -8.342 6.892 -4.430 289 HA PRO 40 HA PRO 40 -8.414 5.101 -0.398 290 HB2 PRO 40 2HB PRO 40 -9.784 3.228 1.513 291 HB3 PRO 40 3HB PRO 40 -9.697 5.009 1.552 292 HG2 PRO 40 2HG PRO 40 -11.969 3.777 0.763 293 HG3 PRO 40 3HG PRO 40 -11.351 5.187 -0.178 294 HD2 PRO 40 2HD PRO 40 -10.923 2.237 -0.742 295 HD3 PRO 40 3HD PRO 40 -11.557 3.497 -1.842 296 H ILE 41 H ILE 41 -6.520 4.811 0.817 297 HA ILE 41 HA ILE 41 -5.715 2.067 1.545 298 HB ILE 41 HB ILE 41 -4.859 3.032 -0.852 299 HG12 ILE 41 2HG1 ILE 41 -3.173 1.302 0.974 300 HG13 ILE 41 3HG1 ILE 41 -4.627 0.744 0.132 301 HG21 ILE 41 1HG2 ILE 41 -3.558 4.900 0.239 302 HG22 ILE 41 2HG2 ILE 41 -2.523 3.672 1.001 303 HG23 ILE 41 3HG2 ILE 41 -2.585 3.810 -0.754 304 HD11 ILE 41 1HD1 ILE 41 -2.012 1.581 -1.109 305 HD12 ILE 41 2HD1 ILE 41 -2.851 0.022 -1.193 306 HD13 ILE 41 3HD1 ILE 41 -3.519 1.423 -2.047 307 H SER 42 H SER 42 -4.103 1.874 3.108 308 HA SER 42 HA SER 42 -3.923 4.218 4.928 309 HB2 SER 42 2HB SER 42 -4.793 2.133 5.742 310 HB3 SER 42 3HB SER 42 -3.287 1.287 5.358 311 HG SER 42 HG SER 42 -3.569 1.959 7.540 312 H GLU 43 H GLU 43 -2.070 5.224 5.365 313 HA GLU 43 HA GLU 43 0.370 4.631 3.911 314 HB2 GLU 43 2HB GLU 43 1.332 6.470 5.084 315 HB3 GLU 43 3HB GLU 43 -0.307 6.870 4.609 316 HG2 GLU 43 2HG GLU 43 -0.505 7.660 6.636 317 HG3 GLU 43 3HG GLU 43 -0.853 6.005 7.110 318 H ASN 44 H ASN 44 -0.971 3.214 6.682 319 HA ASN 44 HA ASN 44 1.500 1.642 7.059 320 HB2 ASN 44 2HB ASN 44 0.867 1.414 9.495 321 HB3 ASN 44 3HB ASN 44 1.344 3.024 8.971 322 HD21 ASN 44 1HD2 ASN 44 -0.004 4.688 9.037 323 HD22 ASN 44 2HD2 ASN 44 -1.460 4.555 10.013 324 H GLY 45 H GLY 45 -0.503 1.162 5.128 325 HA2 GLY 45 2HA GLY 45 -1.178 -1.644 5.888 326 HA3 GLY 45 3HA GLY 45 -1.589 -0.847 4.382 327 H TRP 46 H TRP 46 -0.546 -2.850 3.502 328 HA TRP 46 HA TRP 46 2.028 -2.124 2.389 329 HB2 TRP 46 2HB TRP 46 2.888 -3.251 4.420 330 HB3 TRP 46 3HB TRP 46 1.792 -4.582 4.155 331 HD1 TRP 46 HD1 TRP 46 4.997 -3.088 2.642 332 HE1 TRP 46 HE1 TRP 46 6.268 -4.962 1.359 333 HE3 TRP 46 HE3 TRP 46 1.477 -6.764 2.843 334 HZ2 TRP 46 HZ2 TRP 46 5.867 -7.718 0.709 335 HZ3 TRP 46 HZ3 TRP 46 1.906 -8.993 1.827 336 HH2 TRP 46 HH2 TRP 46 4.096 -9.469 0.767 337 H CYS 47 H CYS 47 2.442 -3.304 0.385 338 HA CYS 47 HA CYS 47 0.523 -5.479 -0.301 339 HB2 CYS 47 2HB CYS 47 0.031 -4.498 -2.393 340 HB3 CYS 47 3HB CYS 47 0.102 -3.097 -1.322 341 H ARG 48 H ARG 48 1.044 -6.653 -2.229 342 HA ARG 48 HA ARG 48 3.756 -7.802 -2.101 343 HB2 ARG 48 2HB ARG 48 1.145 -8.558 -3.479 344 HB3 ARG 48 3HB ARG 48 2.617 -9.481 -3.733 345 HG2 ARG 48 2HG ARG 48 1.614 -8.979 -0.952 346 HG3 ARG 48 3HG ARG 48 0.810 -10.184 -1.938 347 HD2 ARG 48 2HD ARG 48 3.828 -10.273 -1.642 348 HD3 ARG 48 3HD ARG 48 2.761 -10.907 -0.380 349 HE ARG 48 HE ARG 48 1.854 -11.953 -2.867 350 HH11 ARG 48 1HH1 ARG 48 4.716 -12.526 -0.828 351 HH12 ARG 48 2HH1 ARG 48 4.756 -14.191 -1.414 352 HH21 ARG 48 1HH2 ARG 48 2.042 -13.967 -3.405 353 HH22 ARG 48 2HH2 ARG 48 3.354 -14.971 -2.742 354 H LEU 49 H LEU 49 2.474 -5.256 -3.842 355 HA LEU 49 HA LEU 49 3.965 -5.979 -6.329 356 HB2 LEU 49 2HB LEU 49 1.435 -5.855 -6.318 357 HB3 LEU 49 3HB LEU 49 1.597 -4.117 -6.097 358 HG LEU 49 HG LEU 49 2.796 -3.989 -8.293 359 HD11 LEU 49 1HD1 LEU 49 2.221 -6.986 -8.409 360 HD12 LEU 49 2HD1 LEU 49 2.689 -5.994 -9.806 361 HD13 LEU 49 3HD1 LEU 49 3.818 -6.197 -8.476 362 HD21 LEU 49 1HD2 LEU 49 0.162 -5.518 -8.467 363 HD22 LEU 49 2HD2 LEU 49 0.306 -3.774 -8.169 364 HD23 LEU 49 3HD2 LEU 49 0.858 -4.458 -9.707 365 H TYR 50 H TYR 50 3.566 -3.392 -3.939 366 HA TYR 50 HA TYR 50 5.032 -1.855 -3.254 367 HB2 TYR 50 2HB TYR 50 6.314 -4.259 -3.675 368 HB3 TYR 50 3HB TYR 50 7.360 -3.178 -4.556 369 HD1 TYR 50 HD1 TYR 50 5.465 -3.098 -1.279 370 HD2 TYR 50 HD2 TYR 50 9.274 -2.676 -3.277 371 HE1 TYR 50 HE1 TYR 50 6.572 -2.601 0.897 372 HE2 TYR 50 HE2 TYR 50 10.375 -2.237 -1.087 373 HH TYR 50 HH TYR 50 10.083 -2.101 1.223 374 H ALA 51 H ALA 51 7.370 -0.657 -4.049 375 HA ALA 51 HA ALA 51 6.463 1.268 -5.965 376 HB1 ALA 51 1HB ALA 51 7.969 1.899 -4.184 377 HB2 ALA 51 2HB ALA 51 9.226 0.792 -4.783 378 HB3 ALA 51 3HB ALA 51 8.750 2.212 -5.738 379 H GLY 52 H GLY 52 6.365 1.152 -8.083 380 HA2 GLY 52 2HA GLY 52 8.195 -0.524 -9.615 381 HA3 GLY 52 3HA GLY 52 6.732 0.242 -10.202 382 H LYS 53 H LYS 53 7.309 2.822 -9.169 383 HA LYS 53 HA LYS 53 7.730 4.741 -10.422 384 HB2 LYS 53 2HB LYS 53 10.217 4.015 -8.887 385 HB3 LYS 53 3HB LYS 53 10.014 5.578 -9.679 386 HG2 LYS 53 2HG LYS 53 8.152 4.490 -7.537 387 HG3 LYS 53 3HG LYS 53 9.444 5.668 -7.279 388 HD2 LYS 53 2HD LYS 53 8.198 7.061 -9.135 389 HD3 LYS 53 3HD LYS 53 6.827 6.018 -8.770 390 HE2 LYS 53 2HE LYS 53 8.267 7.921 -6.872 391 HE3 LYS 53 3HE LYS 53 6.664 8.122 -7.580 392 HZ1 LYS 53 1HZ LYS 53 6.117 5.962 -6.335 393 HZ2 LYS 53 2HZ LYS 53 7.481 6.196 -5.486 394 HZ3 LYS 53 3HZ LYS 53 6.319 7.320 -5.395 395 H ALA 54 H ALA 54 7.472 3.521 -12.421 396 HA ALA 54 HA ALA 54 9.873 3.691 -14.214 397 HB1 ALA 54 1HB ALA 54 8.960 1.762 -15.403 398 HB2 ALA 54 2HB ALA 54 9.179 1.371 -13.690 399 HB3 ALA 54 3HB ALA 54 7.555 1.719 -14.317 Start of MODEL 19 1 H1 VAL 1 1H VAL 1 -7.303 7.790 -18.620 2 H2 VAL 1 2H VAL 1 -7.965 6.432 -17.963 3 H3 VAL 1 3H VAL 1 -7.113 6.325 -19.363 4 HA VAL 1 HA VAL 1 -5.100 7.014 -18.263 5 HB VAL 1 HB VAL 1 -5.979 8.347 -16.511 6 HG11 VAL 1 1HG1 VAL 1 -7.236 5.877 -15.246 7 HG12 VAL 1 2HG1 VAL 1 -7.114 7.483 -14.511 8 HG13 VAL 1 3HG1 VAL 1 -8.094 7.264 -15.952 9 HG21 VAL 1 1HG2 VAL 1 -3.799 7.206 -16.071 10 HG22 VAL 1 2HG2 VAL 1 -4.691 7.617 -14.604 11 HG23 VAL 1 3HG2 VAL 1 -4.670 5.944 -15.170 12 H THR 2 H THR 2 -3.728 5.315 -18.285 13 HA THR 2 HA THR 2 -4.820 2.600 -17.857 14 HB THR 2 HB THR 2 -1.926 3.281 -18.407 15 HG1 THR 2 HG1 THR 2 -4.088 2.989 -20.218 16 HG21 THR 2 1HG2 THR 2 -1.972 1.056 -19.498 17 HG22 THR 2 2HG2 THR 2 -2.411 0.933 -17.791 18 HG23 THR 2 3HG2 THR 2 -3.675 0.858 -19.029 19 H LYS 3 H LYS 3 -5.446 2.991 -15.681 20 HA LYS 3 HA LYS 3 -3.564 3.721 -13.605 21 HB2 LYS 3 2HB LYS 3 -6.167 4.103 -13.872 22 HB3 LYS 3 3HB LYS 3 -6.309 2.515 -13.119 23 HG2 LYS 3 2HG LYS 3 -5.102 3.339 -11.131 24 HG3 LYS 3 3HG LYS 3 -4.763 4.878 -11.959 25 HD2 LYS 3 2HD LYS 3 -7.252 5.278 -12.084 26 HD3 LYS 3 3HD LYS 3 -7.479 3.835 -11.067 27 HE2 LYS 3 2HE LYS 3 -6.034 4.893 -9.314 28 HE3 LYS 3 3HE LYS 3 -5.839 6.312 -10.350 29 HZ1 LYS 3 1HZ LYS 3 -8.286 6.596 -10.245 30 HZ2 LYS 3 2HZ LYS 3 -8.378 5.348 -9.168 31 HZ3 LYS 3 3HZ LYS 3 -7.569 6.747 -8.784 32 H LYS 4 H LYS 4 -3.137 2.407 -11.649 33 HA LYS 4 HA LYS 4 -2.195 -0.256 -12.449 34 HB2 LYS 4 2HB LYS 4 -1.885 1.339 -9.874 35 HB3 LYS 4 3HB LYS 4 -1.169 -0.242 -10.149 36 HG2 LYS 4 2HG LYS 4 -0.568 1.304 -12.469 37 HG3 LYS 4 3HG LYS 4 -0.284 2.363 -11.078 38 HD2 LYS 4 2HD LYS 4 1.657 1.110 -12.078 39 HD3 LYS 4 3HD LYS 4 1.496 1.107 -10.330 40 HE2 LYS 4 2HE LYS 4 1.073 -1.108 -10.175 41 HE3 LYS 4 3HE LYS 4 0.237 -1.192 -11.721 42 HZ1 LYS 4 1HZ LYS 4 2.326 -1.029 -12.862 43 HZ2 LYS 4 2HZ LYS 4 3.192 -0.940 -11.462 44 HZ3 LYS 4 3HZ LYS 4 2.397 -2.308 -11.832 45 H ALA 5 H ALA 5 -2.206 -1.930 -10.678 46 HA ALA 5 HA ALA 5 -4.605 -3.326 -10.777 47 HB1 ALA 5 1HB ALA 5 -2.389 -4.311 -10.304 48 HB2 ALA 5 2HB ALA 5 -2.341 -3.469 -8.736 49 HB3 ALA 5 3HB ALA 5 -3.518 -4.752 -9.020 50 H SER 6 H SER 6 -6.146 -4.028 -9.153 51 HA SER 6 HA SER 6 -7.080 -1.972 -7.343 52 HB2 SER 6 2HB SER 6 -8.746 -3.478 -6.651 53 HB3 SER 6 3HB SER 6 -8.533 -3.758 -8.379 54 HG SER 6 HG SER 6 -8.309 -5.762 -7.748 55 H HIS 7 H HIS 7 -7.168 -2.178 -5.028 56 HA HIS 7 HA HIS 7 -4.712 -2.591 -3.704 57 HB2 HIS 7 2HB HIS 7 -7.011 -3.036 -1.966 58 HB3 HIS 7 3HB HIS 7 -5.826 -1.746 -1.934 59 HD2 HIS 7 HD2 HIS 7 -6.498 0.236 -4.112 60 HE1 HIS 7 HE1 HIS 7 -10.673 -0.350 -3.501 61 HE2 HIS 7 HE2 HIS 7 -8.923 1.185 -4.498 62 H LYS 8 H LYS 8 -7.192 -4.792 -4.386 63 HA LYS 8 HA LYS 8 -6.368 -7.022 -2.670 64 HB2 LYS 8 2HB LYS 8 -8.743 -6.462 -3.157 65 HB3 LYS 8 3HB LYS 8 -8.466 -6.856 -4.857 66 HG2 LYS 8 2HG LYS 8 -9.427 -8.743 -3.942 67 HG3 LYS 8 3HG LYS 8 -7.749 -9.199 -4.089 68 HD2 LYS 8 2HD LYS 8 -7.405 -8.650 -1.644 69 HD3 LYS 8 3HD LYS 8 -9.134 -8.279 -1.525 70 HE2 LYS 8 2HE LYS 8 -9.540 -10.657 -2.425 71 HE3 LYS 8 3HE LYS 8 -7.807 -10.942 -2.206 72 HZ1 LYS 8 1HZ LYS 8 -9.781 -10.266 -0.115 73 HZ2 LYS 8 2HZ LYS 8 -8.992 -11.703 -0.303 74 HZ3 LYS 8 3HZ LYS 8 -8.166 -10.351 0.188 75 H ASP 9 H ASP 9 -6.545 -6.564 -6.204 76 HA ASP 9 HA ASP 9 -5.098 -8.907 -6.953 77 HB2 ASP 9 2HB ASP 9 -6.423 -7.076 -8.354 78 HB3 ASP 9 3HB ASP 9 -4.871 -6.316 -8.467 79 H ALA 10 H ALA 10 -3.954 -5.686 -6.048 80 HA ALA 10 HA ALA 10 -1.125 -6.221 -6.205 81 HB1 ALA 10 1HB ALA 10 -2.703 -4.206 -4.547 82 HB2 ALA 10 2HB ALA 10 -0.965 -4.148 -4.860 83 HB3 ALA 10 3HB ALA 10 -2.113 -3.950 -6.201 84 H GLY 11 H GLY 11 -3.424 -7.557 -4.064 85 HA2 GLY 11 2HA GLY 11 -3.186 -8.958 -2.284 86 HA3 GLY 11 3HA GLY 11 -1.445 -8.961 -2.566 87 H TYR 12 H TYR 12 -3.469 -6.092 -1.690 88 HA TYR 12 HA TYR 12 -1.722 -5.382 0.434 89 HB2 TYR 12 2HB TYR 12 -2.948 -3.547 0.804 90 HB3 TYR 12 3HB TYR 12 -3.176 -3.823 -0.900 91 HD1 TYR 12 HD1 TYR 12 -5.484 -6.044 -0.445 92 HD2 TYR 12 HD2 TYR 12 -4.748 -2.062 1.035 93 HE1 TYR 12 HE1 TYR 12 -7.925 -5.697 -0.162 94 HE2 TYR 12 HE2 TYR 12 -7.182 -1.720 1.319 95 HH TYR 12 HH TYR 12 -9.574 -4.202 0.316 96 H GLN 13 H GLN 13 -2.073 -5.120 2.641 97 HA GLN 13 HA GLN 13 -4.201 -6.755 3.914 98 HB2 GLN 13 2HB GLN 13 -2.454 -7.239 5.771 99 HB3 GLN 13 3HB GLN 13 -2.469 -8.230 4.329 100 HG2 GLN 13 2HG GLN 13 -0.526 -7.079 3.403 101 HG3 GLN 13 3HG GLN 13 -0.545 -5.916 4.736 102 HE21 GLN 13 1HE2 GLN 13 1.263 -6.214 5.777 103 HE22 GLN 13 2HE2 GLN 13 1.662 -7.732 6.534 104 H GLU 14 H GLU 14 -4.636 -6.043 6.165 105 HA GLU 14 HA GLU 14 -4.748 -3.143 6.246 106 HB2 GLU 14 2HB GLU 14 -6.163 -3.399 8.133 107 HB3 GLU 14 3HB GLU 14 -6.576 -4.591 6.895 108 HG2 GLU 14 2HG GLU 14 -5.561 -6.388 8.153 109 HG3 GLU 14 3HG GLU 14 -4.852 -5.254 9.306 110 H SER 15 H SER 15 -2.185 -4.911 6.930 111 HA SER 15 HA SER 15 -1.080 -3.008 8.926 112 HB2 SER 15 2HB SER 15 0.031 -5.120 10.005 113 HB3 SER 15 3HB SER 15 -1.617 -4.679 10.410 114 HG SER 15 HG SER 15 -0.641 -6.936 9.273 115 HA PRO 16 HA PRO 16 2.825 -3.397 6.756 116 HB2 PRO 16 2HB PRO 16 4.296 -3.564 9.320 117 HB3 PRO 16 3HB PRO 16 4.418 -2.337 8.048 118 HG2 PRO 16 2HG PRO 16 3.202 -1.863 10.484 119 HG3 PRO 16 3HG PRO 16 2.707 -1.061 8.967 120 HD2 PRO 16 2HD PRO 16 1.372 -3.368 10.383 121 HD3 PRO 16 3HD PRO 16 0.670 -1.997 9.487 122 H ASN 17 H ASN 17 4.323 -4.959 6.137 123 HA ASN 17 HA ASN 17 4.238 -7.681 7.374 124 HB2 ASN 17 2HB ASN 17 3.675 -7.732 5.064 125 HB3 ASN 17 3HB ASN 17 5.002 -6.702 4.623 126 HD21 ASN 17 1HD2 ASN 17 5.336 -8.655 3.077 127 HD22 ASN 17 2HD2 ASN 17 6.287 -9.994 3.720 128 H GLY 18 H GLY 18 5.616 -7.453 9.119 129 HA2 GLY 18 2HA GLY 18 7.543 -7.087 10.331 130 HA3 GLY 18 3HA GLY 18 8.457 -7.374 8.848 131 H ALA 19 H ALA 19 9.615 -5.673 8.163 132 HA ALA 19 HA ALA 19 9.169 -2.959 9.206 133 HB1 ALA 19 1HB ALA 19 11.226 -4.014 7.229 134 HB2 ALA 19 2HB ALA 19 11.246 -2.439 8.041 135 HB3 ALA 19 3HB ALA 19 11.439 -3.921 8.996 136 H LYS 20 H LYS 20 8.068 -4.671 6.269 137 HA LYS 20 HA LYS 20 8.065 -2.272 4.616 138 HB2 LYS 20 2HB LYS 20 6.851 -5.035 4.273 139 HB3 LYS 20 3HB LYS 20 6.956 -3.799 3.019 140 HG2 LYS 20 2HG LYS 20 9.183 -4.090 2.643 141 HG3 LYS 20 3HG LYS 20 9.561 -4.566 4.304 142 HD2 LYS 20 2HD LYS 20 8.753 -6.769 4.013 143 HD3 LYS 20 3HD LYS 20 7.892 -6.340 2.545 144 HE2 LYS 20 2HE LYS 20 10.094 -5.918 1.400 145 HE3 LYS 20 3HE LYS 20 10.936 -6.335 2.895 146 HZ1 LYS 20 1HZ LYS 20 10.007 -8.572 2.714 147 HZ2 LYS 20 2HZ LYS 20 9.239 -8.190 1.295 148 HZ3 LYS 20 3HZ LYS 20 10.871 -8.208 1.376 149 H ARG 21 H ARG 21 6.556 -0.766 4.645 150 HA ARG 21 HA ARG 21 3.704 -1.450 5.136 151 HB2 ARG 21 2HB ARG 21 3.417 -0.212 6.903 152 HB3 ARG 21 3HB ARG 21 5.144 -0.176 7.101 153 HG2 ARG 21 2HG ARG 21 5.192 2.059 5.944 154 HG3 ARG 21 3HG ARG 21 3.434 1.999 5.806 155 HD2 ARG 21 2HD ARG 21 3.459 1.621 8.381 156 HD3 ARG 21 3HD ARG 21 5.129 2.180 8.297 157 HE ARG 21 HE ARG 21 2.816 3.783 7.214 158 HH11 ARG 21 1HH1 ARG 21 5.770 3.826 9.191 159 HH12 ARG 21 2HH1 ARG 21 5.310 5.386 9.862 160 HH21 ARG 21 1HH2 ARG 21 2.499 5.905 8.121 161 HH22 ARG 21 2HH2 ARG 21 3.726 6.445 9.235 162 H CYS 22 H CYS 22 2.253 0.415 4.238 163 HA CYS 22 HA CYS 22 3.218 1.598 1.796 164 HB2 CYS 22 2HB CYS 22 0.865 2.346 3.568 165 HB3 CYS 22 3HB CYS 22 1.163 2.912 1.915 166 H GLY 23 H GLY 23 2.089 4.170 3.724 167 HA2 GLY 23 2HA GLY 23 3.009 6.002 4.727 168 HA3 GLY 23 3HA GLY 23 4.286 4.923 5.261 169 H THR 24 H THR 24 6.212 4.715 3.829 170 HA THR 24 HA THR 24 6.524 6.874 1.758 171 HB THR 24 HB THR 24 8.935 6.361 1.795 172 HG1 THR 24 HG1 THR 24 9.693 5.219 3.647 173 HG21 THR 24 1HG2 THR 24 9.469 7.419 3.935 174 HG22 THR 24 2HG2 THR 24 8.081 8.214 3.173 175 HG23 THR 24 3HG2 THR 24 7.827 7.101 4.531 176 H CYS 25 H CYS 25 6.760 3.397 2.372 177 HA CYS 25 HA CYS 25 7.309 1.600 1.060 178 HB2 CYS 25 2HB CYS 25 4.945 1.952 0.616 179 HB3 CYS 25 3HB CYS 25 5.285 3.088 -0.664 180 H ARG 26 H ARG 26 7.338 1.428 -1.774 181 HA ARG 26 HA ARG 26 9.723 3.048 -2.603 182 HB2 ARG 26 2HB ARG 26 8.469 0.627 -3.938 183 HB3 ARG 26 3HB ARG 26 9.822 1.574 -4.559 184 HG2 ARG 26 2HG ARG 26 11.021 -0.085 -3.613 185 HG3 ARG 26 3HG ARG 26 10.926 0.965 -2.201 186 HD2 ARG 26 2HD ARG 26 9.104 -0.377 -1.275 187 HD3 ARG 26 3HD ARG 26 8.948 -1.301 -2.771 188 HE ARG 26 HE ARG 26 11.005 -1.601 -0.671 189 HH11 ARG 26 1HH1 ARG 26 10.027 -2.688 -3.878 190 HH12 ARG 26 2HH1 ARG 26 10.878 -4.209 -3.670 191 HH21 ARG 26 1HH2 ARG 26 12.228 -3.309 -0.618 192 HH22 ARG 26 2HH2 ARG 26 12.200 -4.515 -1.904 193 H GLN 27 H GLN 27 6.372 3.258 -2.623 194 HA GLN 27 HA GLN 27 6.684 5.566 -4.442 195 HB2 GLN 27 2HB GLN 27 4.361 3.655 -4.798 196 HB3 GLN 27 3HB GLN 27 4.526 5.225 -5.559 197 HG2 GLN 27 2HG GLN 27 6.364 2.859 -6.076 198 HG3 GLN 27 3HG GLN 27 4.979 3.300 -7.053 199 HE21 GLN 27 1HE2 GLN 27 6.907 3.188 -8.688 200 HE22 GLN 27 2HE2 GLN 27 7.716 4.735 -8.947 201 H PHE 28 H PHE 28 3.787 4.152 -2.954 202 HA PHE 28 HA PHE 28 2.075 4.944 -1.840 203 HB2 PHE 28 2HB PHE 28 3.709 4.804 0.014 204 HB3 PHE 28 3HB PHE 28 4.057 6.519 -0.182 205 HD1 PHE 28 HD1 PHE 28 1.029 4.262 0.134 206 HD2 PHE 28 HD2 PHE 28 2.876 7.989 1.254 207 HE1 PHE 28 HE1 PHE 28 -0.901 4.793 1.566 208 HE2 PHE 28 HE2 PHE 28 0.923 8.501 2.714 209 HZ PHE 28 HZ PHE 28 -0.998 6.940 2.810 210 H ARG 29 H ARG 29 0.650 6.819 -1.144 211 HA ARG 29 HA ARG 29 1.311 9.445 -2.267 212 HB2 ARG 29 2HB ARG 29 0.338 8.300 -4.190 213 HB3 ARG 29 3HB ARG 29 -1.092 7.881 -3.267 214 HG2 ARG 29 2HG ARG 29 -1.551 9.745 -4.739 215 HG3 ARG 29 3HG ARG 29 -1.685 10.285 -3.063 216 HD2 ARG 29 2HD ARG 29 0.593 11.248 -3.190 217 HD3 ARG 29 3HD ARG 29 0.736 10.663 -4.855 218 HE ARG 29 HE ARG 29 -1.335 12.164 -5.303 219 HH11 ARG 29 1HH1 ARG 29 1.161 13.261 -3.030 220 HH12 ARG 29 2HH1 ARG 29 0.469 14.863 -3.025 221 HH21 ARG 29 1HH2 ARG 29 -2.113 14.117 -5.125 222 HH22 ARG 29 2HH2 ARG 29 -1.465 15.290 -3.982 223 HA PRO 30 HA PRO 30 -0.914 9.831 1.678 224 HB2 PRO 30 2HB PRO 30 0.331 12.539 1.758 225 HB3 PRO 30 3HB PRO 30 0.342 11.259 2.999 226 HG2 PRO 30 2HG PRO 30 2.527 11.879 1.469 227 HG3 PRO 30 3HG PRO 30 2.200 10.208 2.002 228 HD2 PRO 30 2HD PRO 30 1.630 11.496 -0.669 229 HD3 PRO 30 3HD PRO 30 2.277 9.862 -0.320 230 HA PRO 31 HA PRO 31 -2.073 11.009 3.323 231 HB2 PRO 31 2HB PRO 31 -4.641 11.173 4.181 232 HB3 PRO 31 3HB PRO 31 -3.579 12.602 4.008 233 HG2 PRO 31 2HG PRO 31 -5.648 11.579 2.033 234 HG3 PRO 31 3HG PRO 31 -5.441 13.248 2.662 235 HD2 PRO 31 2HD PRO 31 -4.375 12.498 0.281 236 HD3 PRO 31 3HD PRO 31 -3.501 13.599 1.373 237 H SER 32 H SER 32 -4.382 9.706 0.903 238 HA SER 32 HA SER 32 -4.494 7.116 2.387 239 HB2 SER 32 2HB SER 32 -6.904 7.161 2.362 240 HB3 SER 32 3HB SER 32 -6.313 8.639 3.135 241 HG SER 32 HG SER 32 -7.210 8.335 0.457 242 H SER 33 H SER 33 -3.153 7.729 -0.176 243 HA SER 33 HA SER 33 -4.615 5.834 -1.963 244 HB2 SER 33 2HB SER 33 -3.288 8.443 -2.795 245 HB3 SER 33 3HB SER 33 -4.005 7.243 -3.886 246 HG SER 33 HG SER 33 -5.205 8.944 -2.008 247 H CYS 34 H CYS 34 -3.073 5.219 -3.861 248 HA CYS 34 HA CYS 34 -0.223 5.219 -3.019 249 HB2 CYS 34 2HB CYS 34 -1.262 2.978 -2.584 250 HB3 CYS 34 3HB CYS 34 -1.593 2.845 -4.317 251 H ILE 35 H ILE 35 1.028 4.419 -5.000 252 HA ILE 35 HA ILE 35 0.116 5.670 -7.550 253 HB ILE 35 HB ILE 35 2.598 6.313 -6.015 254 HG12 ILE 35 2HG1 ILE 35 0.978 7.892 -8.062 255 HG13 ILE 35 3HG1 ILE 35 0.585 7.818 -6.353 256 HG21 ILE 35 1HG2 ILE 35 2.642 6.320 -9.066 257 HG22 ILE 35 2HG2 ILE 35 3.897 6.961 -7.989 258 HG23 ILE 35 3HG2 ILE 35 3.600 5.236 -8.031 259 HD11 ILE 35 1HD1 ILE 35 1.778 9.864 -6.769 260 HD12 ILE 35 2HD1 ILE 35 2.828 8.803 -5.809 261 HD13 ILE 35 3HD1 ILE 35 3.111 9.017 -7.554 262 H THR 36 H THR 36 1.712 2.997 -5.887 263 HA THR 36 HA THR 36 2.162 1.631 -8.452 264 HB THR 36 HB THR 36 2.293 -0.166 -6.190 265 HG1 THR 36 HG1 THR 36 3.170 1.046 -4.824 266 HG21 THR 36 1HG2 THR 36 4.463 -0.631 -7.108 267 HG22 THR 36 2HG2 THR 36 3.351 -0.399 -8.464 268 HG23 THR 36 3HG2 THR 36 4.465 0.905 -8.023 269 H VAL 37 H VAL 37 -0.432 2.145 -6.331 270 HA VAL 37 HA VAL 37 -2.036 -0.149 -7.359 271 HB VAL 37 HB VAL 37 -1.761 0.653 -4.423 272 HG11 VAL 37 1HG1 VAL 37 -3.216 -1.678 -5.725 273 HG12 VAL 37 2HG1 VAL 37 -2.893 -1.501 -3.982 274 HG13 VAL 37 3HG1 VAL 37 -3.935 -0.340 -4.782 275 HG21 VAL 37 1HG2 VAL 37 0.309 -0.443 -5.026 276 HG22 VAL 37 2HG2 VAL 37 -0.656 -1.573 -4.114 277 HG23 VAL 37 3HG2 VAL 37 -0.565 -1.736 -5.883 278 H GLU 38 H GLU 38 -4.355 0.170 -7.080 279 HA GLU 38 HA GLU 38 -5.511 2.749 -7.384 280 HB2 GLU 38 2HB GLU 38 -6.510 0.017 -6.523 281 HB3 GLU 38 3HB GLU 38 -7.568 1.411 -6.338 282 HG2 GLU 38 2HG GLU 38 -7.159 1.997 -8.711 283 HG3 GLU 38 3HG GLU 38 -6.370 0.431 -8.933 284 H SER 39 H SER 39 -7.152 3.702 -5.942 285 HA SER 39 HA SER 39 -6.502 3.679 -3.035 286 HB2 SER 39 2HB SER 39 -7.426 6.019 -3.036 287 HB3 SER 39 3HB SER 39 -5.943 5.830 -3.973 288 HG SER 39 HG SER 39 -7.805 7.039 -4.871 289 HA PRO 40 HA PRO 40 -7.888 5.063 -1.320 290 HB2 PRO 40 2HB PRO 40 -9.383 4.503 0.827 291 HB3 PRO 40 3HB PRO 40 -9.972 5.581 -0.474 292 HG2 PRO 40 2HG PRO 40 -10.557 2.622 -0.109 293 HG3 PRO 40 3HG PRO 40 -11.730 3.948 -0.385 294 HD2 PRO 40 2HD PRO 40 -10.773 2.389 -2.428 295 HD3 PRO 40 3HD PRO 40 -11.147 4.120 -2.658 296 H ILE 41 H ILE 41 -6.578 4.609 0.424 297 HA ILE 41 HA ILE 41 -5.743 1.792 0.915 298 HB ILE 41 HB ILE 41 -4.385 4.046 -0.490 299 HG12 ILE 41 2HG1 ILE 41 -5.073 2.099 -1.760 300 HG13 ILE 41 3HG1 ILE 41 -3.355 2.356 -1.842 301 HG21 ILE 41 1HG2 ILE 41 -2.121 3.411 -0.065 302 HG22 ILE 41 2HG2 ILE 41 -2.911 3.975 1.410 303 HG23 ILE 41 3HG2 ILE 41 -2.620 2.238 1.149 304 HD11 ILE 41 1HD1 ILE 41 -3.891 -0.017 -1.706 305 HD12 ILE 41 2HD1 ILE 41 -2.979 0.471 -0.274 306 HD13 ILE 41 3HD1 ILE 41 -4.738 0.212 -0.169 307 H SER 42 H SER 42 -4.257 1.546 2.698 308 HA SER 42 HA SER 42 -4.583 3.477 4.963 309 HB2 SER 42 2HB SER 42 -5.226 1.286 5.600 310 HB3 SER 42 3HB SER 42 -3.861 0.536 4.777 311 HG SER 42 HG SER 42 -3.755 0.792 7.134 312 H GLU 43 H GLU 43 -2.695 4.490 5.836 313 HA GLU 43 HA GLU 43 -0.332 4.353 4.144 314 HB2 GLU 43 2HB GLU 43 0.593 6.059 5.401 315 HB3 GLU 43 3HB GLU 43 -1.048 6.513 5.004 316 HG2 GLU 43 2HG GLU 43 -1.789 6.258 7.230 317 HG3 GLU 43 3HG GLU 43 -0.338 5.346 7.686 318 H ASN 44 H ASN 44 -1.315 2.276 6.508 319 HA ASN 44 HA ASN 44 1.529 1.401 6.842 320 HB2 ASN 44 2HB ASN 44 0.992 0.425 8.988 321 HB3 ASN 44 3HB ASN 44 0.556 2.127 8.973 322 HD21 ASN 44 1HD2 ASN 44 -1.185 2.518 10.065 323 HD22 ASN 44 2HD2 ASN 44 -2.622 1.542 9.966 324 H GLY 45 H GLY 45 -1.483 0.540 5.465 325 HA2 GLY 45 2HA GLY 45 -1.252 -2.303 5.659 326 HA3 GLY 45 3HA GLY 45 -2.410 -1.396 4.709 327 H TRP 46 H TRP 46 0.963 -2.437 4.765 328 HA TRP 46 HA TRP 46 1.913 -2.186 2.220 329 HB2 TRP 46 2HB TRP 46 3.103 -3.198 4.172 330 HB3 TRP 46 3HB TRP 46 2.077 -4.591 4.048 331 HD1 TRP 46 HD1 TRP 46 4.735 -2.827 1.832 332 HE1 TRP 46 HE1 TRP 46 5.930 -4.612 0.430 333 HE3 TRP 46 HE3 TRP 46 1.969 -6.909 3.157 334 HZ2 TRP 46 HZ2 TRP 46 5.851 -7.474 0.103 335 HZ3 TRP 46 HZ3 TRP 46 2.517 -9.158 2.251 336 HH2 TRP 46 HH2 TRP 46 4.455 -9.443 0.728 337 H CYS 47 H CYS 47 1.996 -3.297 0.269 338 HA CYS 47 HA CYS 47 0.174 -5.611 -0.134 339 HB2 CYS 47 2HB CYS 47 -0.572 -4.688 -2.198 340 HB3 CYS 47 3HB CYS 47 -0.523 -3.276 -1.125 341 H ARG 48 H ARG 48 0.648 -7.000 -1.853 342 HA ARG 48 HA ARG 48 3.460 -7.778 -1.981 343 HB2 ARG 48 2HB ARG 48 0.849 -8.897 -3.081 344 HB3 ARG 48 3HB ARG 48 2.379 -9.655 -3.489 345 HG2 ARG 48 2HG ARG 48 1.648 -9.228 -0.616 346 HG3 ARG 48 3HG ARG 48 0.867 -10.510 -1.526 347 HD2 ARG 48 2HD ARG 48 2.993 -11.526 -2.109 348 HD3 ARG 48 3HD ARG 48 3.883 -10.261 -1.244 349 HE ARG 48 HE ARG 48 2.113 -11.293 0.646 350 HH11 ARG 48 1HH1 ARG 48 4.666 -12.839 -1.242 351 HH12 ARG 48 2HH1 ARG 48 4.831 -14.109 -0.044 352 HH21 ARG 48 1HH2 ARG 48 2.472 -12.782 2.076 353 HH22 ARG 48 2HH2 ARG 48 3.739 -13.974 1.875 354 H LEU 49 H LEU 49 2.045 -5.347 -3.573 355 HA LEU 49 HA LEU 49 3.382 -5.892 -6.186 356 HB2 LEU 49 2HB LEU 49 0.913 -5.275 -5.892 357 HB3 LEU 49 3HB LEU 49 1.448 -3.637 -5.551 358 HG LEU 49 HG LEU 49 2.226 -5.146 -8.083 359 HD11 LEU 49 1HD1 LEU 49 -0.209 -3.376 -7.672 360 HD12 LEU 49 2HD1 LEU 49 0.331 -4.061 -9.220 361 HD13 LEU 49 3HD1 LEU 49 -0.227 -5.139 -7.946 362 HD21 LEU 49 1HD2 LEU 49 3.488 -3.071 -7.857 363 HD22 LEU 49 2HD2 LEU 49 2.240 -2.795 -9.050 364 HD23 LEU 49 3HD2 LEU 49 2.014 -2.187 -7.397 365 H TYR 50 H TYR 50 3.494 -3.822 -3.356 366 HA TYR 50 HA TYR 50 4.700 -1.636 -3.586 367 HB2 TYR 50 2HB TYR 50 5.836 -1.889 -1.628 368 HB3 TYR 50 3HB TYR 50 4.573 -3.081 -1.527 369 HD1 TYR 50 HD1 TYR 50 5.547 -5.536 -2.649 370 HD2 TYR 50 HD2 TYR 50 7.735 -2.506 -0.512 371 HE1 TYR 50 HE1 TYR 50 7.373 -7.183 -2.163 372 HE2 TYR 50 HE2 TYR 50 9.512 -4.159 0.019 373 HH TYR 50 HH TYR 50 9.601 -7.421 -1.404 374 H ALA 51 H ALA 51 5.919 -0.651 -5.003 375 HA ALA 51 HA ALA 51 6.899 -1.856 -7.123 376 HB1 ALA 51 1HB ALA 51 7.988 0.789 -6.081 377 HB2 ALA 51 2HB ALA 51 8.043 0.224 -7.752 378 HB3 ALA 51 3HB ALA 51 6.485 0.557 -6.979 379 H GLY 52 H GLY 52 8.531 -3.170 -7.766 380 HA2 GLY 52 2HA GLY 52 10.923 -3.571 -6.252 381 HA3 GLY 52 3HA GLY 52 10.649 -4.178 -7.855 382 H LYS 53 H LYS 53 12.366 -2.042 -6.060 383 HA LYS 53 HA LYS 53 13.167 -0.242 -8.256 384 HB2 LYS 53 2HB LYS 53 12.797 0.089 -5.309 385 HB3 LYS 53 3HB LYS 53 14.216 0.863 -5.989 386 HG2 LYS 53 2HG LYS 53 12.243 2.333 -5.865 387 HG3 LYS 53 3HG LYS 53 12.970 2.202 -7.473 388 HD2 LYS 53 2HD LYS 53 11.135 0.823 -8.272 389 HD3 LYS 53 3HD LYS 53 10.491 0.664 -6.637 390 HE2 LYS 53 2HE LYS 53 9.153 2.266 -7.879 391 HE3 LYS 53 3HE LYS 53 10.004 3.092 -6.568 392 HZ1 LYS 53 1HZ LYS 53 10.092 4.312 -8.680 393 HZ2 LYS 53 2HZ LYS 53 11.592 3.919 -8.166 394 HZ3 LYS 53 3HZ LYS 53 10.860 3.070 -9.410 395 H ALA 54 H ALA 54 15.129 0.093 -8.678 396 HA ALA 54 HA ALA 54 17.242 -0.497 -9.412 397 HB1 ALA 54 1HB ALA 54 17.652 -1.067 -6.463 398 HB2 ALA 54 2HB ALA 54 18.935 -0.758 -7.650 399 HB3 ALA 54 3HB ALA 54 17.781 0.513 -7.248 Start of MODEL 20 1 H1 VAL 1 1H VAL 1 -0.756 7.047 -21.815 2 H2 VAL 1 2H VAL 1 -2.401 6.889 -21.674 3 H3 VAL 1 3H VAL 1 -1.502 5.656 -22.268 4 HA VAL 1 HA VAL 1 -0.434 5.258 -20.219 5 HB VAL 1 HB VAL 1 -1.218 6.426 -18.169 6 HG11 VAL 1 1HG1 VAL 1 0.170 8.254 -20.163 7 HG12 VAL 1 2HG1 VAL 1 0.269 8.302 -18.395 8 HG13 VAL 1 3HG1 VAL 1 0.949 6.924 -19.274 9 HG21 VAL 1 1HG2 VAL 1 -2.233 8.623 -18.305 10 HG22 VAL 1 2HG2 VAL 1 -2.322 8.550 -20.071 11 HG23 VAL 1 3HG2 VAL 1 -3.312 7.458 -19.074 12 H THR 2 H THR 2 -1.296 3.904 -18.587 13 HA THR 2 HA THR 2 -4.220 3.255 -18.770 14 HB THR 2 HB THR 2 -1.929 1.254 -18.807 15 HG1 THR 2 HG1 THR 2 -2.182 1.174 -20.853 16 HG21 THR 2 1HG2 THR 2 -3.727 -0.397 -19.338 17 HG22 THR 2 2HG2 THR 2 -3.887 0.261 -17.708 18 HG23 THR 2 3HG2 THR 2 -4.946 0.854 -19.012 19 H LYS 3 H LYS 3 -5.141 2.402 -16.825 20 HA LYS 3 HA LYS 3 -3.863 3.460 -14.449 21 HB2 LYS 3 2HB LYS 3 -6.315 3.609 -15.062 22 HB3 LYS 3 3HB LYS 3 -6.462 1.911 -14.587 23 HG2 LYS 3 2HG LYS 3 -5.784 2.472 -12.285 24 HG3 LYS 3 3HG LYS 3 -5.472 4.150 -12.771 25 HD2 LYS 3 2HD LYS 3 -7.889 4.381 -13.399 26 HD3 LYS 3 3HD LYS 3 -8.173 2.736 -12.794 27 HE2 LYS 3 2HE LYS 3 -7.370 3.445 -10.545 28 HE3 LYS 3 3HE LYS 3 -7.084 5.081 -11.164 29 HZ1 LYS 3 1HZ LYS 3 -9.253 4.919 -10.037 30 HZ2 LYS 3 2HZ LYS 3 -9.462 5.241 -11.634 31 HZ3 LYS 3 3HZ LYS 3 -9.728 3.730 -11.051 32 H LYS 4 H LYS 4 -3.210 2.424 -12.576 33 HA LYS 4 HA LYS 4 -1.918 -0.058 -12.765 34 HB2 LYS 4 2HB LYS 4 -2.676 1.834 -10.523 35 HB3 LYS 4 3HB LYS 4 -1.924 0.305 -10.097 36 HG2 LYS 4 2HG LYS 4 -0.761 2.195 -12.123 37 HG3 LYS 4 3HG LYS 4 -0.349 2.208 -10.416 38 HD2 LYS 4 2HD LYS 4 0.383 -0.292 -10.841 39 HD3 LYS 4 3HD LYS 4 0.190 0.100 -12.557 40 HE2 LYS 4 2HE LYS 4 1.679 2.019 -12.312 41 HE3 LYS 4 3HE LYS 4 1.950 1.619 -10.625 42 HZ1 LYS 4 1HZ LYS 4 2.512 -0.315 -12.816 43 HZ2 LYS 4 2HZ LYS 4 3.660 0.723 -12.294 44 HZ3 LYS 4 3HZ LYS 4 3.028 -0.425 -11.288 45 H ALA 5 H ALA 5 -2.003 -1.564 -11.013 46 HA ALA 5 HA ALA 5 -4.281 -3.367 -11.172 47 HB1 ALA 5 1HB ALA 5 -1.943 -3.295 -9.218 48 HB2 ALA 5 2HB ALA 5 -3.008 -4.682 -9.516 49 HB3 ALA 5 3HB ALA 5 -1.918 -4.117 -10.800 50 H SER 6 H SER 6 -5.725 -4.026 -9.439 51 HA SER 6 HA SER 6 -6.478 -1.835 -7.659 52 HB2 SER 6 2HB SER 6 -8.210 -3.310 -6.796 53 HB3 SER 6 3HB SER 6 -8.264 -3.164 -8.555 54 HG SER 6 HG SER 6 -7.346 -5.154 -8.771 55 H HIS 7 H HIS 7 -6.335 -1.775 -5.460 56 HA HIS 7 HA HIS 7 -4.175 -2.721 -3.941 57 HB2 HIS 7 2HB HIS 7 -5.875 -2.252 -2.028 58 HB3 HIS 7 3HB HIS 7 -5.453 -0.940 -3.120 59 HD2 HIS 7 HD2 HIS 7 -7.342 0.152 -4.636 60 HE1 HIS 7 HE1 HIS 7 -10.584 -2.387 -3.575 61 HE2 HIS 7 HE2 HIS 7 -9.918 -0.288 -4.821 62 H LYS 8 H LYS 8 -7.296 -4.222 -4.441 63 HA LYS 8 HA LYS 8 -7.060 -6.629 -2.936 64 HB2 LYS 8 2HB LYS 8 -9.152 -5.799 -3.802 65 HB3 LYS 8 3HB LYS 8 -8.595 -5.986 -5.462 66 HG2 LYS 8 2HG LYS 8 -10.102 -7.732 -4.816 67 HG3 LYS 8 3HG LYS 8 -8.551 -8.424 -5.239 68 HD2 LYS 8 2HD LYS 8 -8.032 -8.914 -2.943 69 HD3 LYS 8 3HD LYS 8 -9.343 -7.881 -2.348 70 HE2 LYS 8 2HE LYS 8 -11.031 -9.404 -3.283 71 HE3 LYS 8 3HE LYS 8 -9.776 -10.382 -4.046 72 HZ1 LYS 8 1HZ LYS 8 -10.178 -10.096 -1.112 73 HZ2 LYS 8 2HZ LYS 8 -10.473 -11.435 -2.007 74 HZ3 LYS 8 3HZ LYS 8 -8.946 -10.926 -1.804 75 H ASP 9 H ASP 9 -6.478 -6.283 -6.457 76 HA ASP 9 HA ASP 9 -5.413 -8.909 -6.746 77 HB2 ASP 9 2HB ASP 9 -6.145 -7.051 -8.565 78 HB3 ASP 9 3HB ASP 9 -4.436 -6.733 -8.569 79 H ALA 10 H ALA 10 -3.814 -5.895 -5.991 80 HA ALA 10 HA ALA 10 -1.105 -6.930 -5.891 81 HB1 ALA 10 1HB ALA 10 -2.393 -4.437 -4.730 82 HB2 ALA 10 2HB ALA 10 -0.647 -4.728 -4.878 83 HB3 ALA 10 3HB ALA 10 -1.649 -4.589 -6.341 84 H GLY 11 H GLY 11 -3.666 -7.645 -3.811 85 HA2 GLY 11 2HA GLY 11 -3.686 -8.853 -1.893 86 HA3 GLY 11 3HA GLY 11 -1.939 -9.068 -2.041 87 H TYR 12 H TYR 12 -3.648 -5.950 -1.588 88 HA TYR 12 HA TYR 12 -2.029 -5.150 0.576 89 HB2 TYR 12 2HB TYR 12 -3.195 -3.216 0.633 90 HB3 TYR 12 3HB TYR 12 -3.487 -3.721 -1.012 91 HD1 TYR 12 HD1 TYR 12 -5.780 -5.598 -0.813 92 HD2 TYR 12 HD2 TYR 12 -4.996 -1.969 1.377 93 HE1 TYR 12 HE1 TYR 12 -8.197 -5.366 -0.333 94 HE2 TYR 12 HE2 TYR 12 -7.423 -1.728 1.846 95 HH TYR 12 HH TYR 12 -9.495 -2.702 1.688 96 H GLN 13 H GLN 13 -2.407 -4.757 2.758 97 HA GLN 13 HA GLN 13 -4.581 -6.281 4.104 98 HB2 GLN 13 2HB GLN 13 -2.805 -6.920 5.865 99 HB3 GLN 13 3HB GLN 13 -2.911 -7.827 4.376 100 HG2 GLN 13 2HG GLN 13 -0.953 -6.712 3.449 101 HG3 GLN 13 3HG GLN 13 -0.824 -5.679 4.884 102 HE21 GLN 13 1HE2 GLN 13 1.155 -6.244 5.514 103 HE22 GLN 13 2HE2 GLN 13 1.481 -7.877 6.081 104 H GLU 14 H GLU 14 -4.730 -5.805 6.461 105 HA GLU 14 HA GLU 14 -5.148 -2.984 6.773 106 HB2 GLU 14 2HB GLU 14 -5.961 -3.594 9.011 107 HB3 GLU 14 3HB GLU 14 -6.542 -4.774 7.830 108 HG2 GLU 14 2HG GLU 14 -4.823 -6.391 8.538 109 HG3 GLU 14 3HG GLU 14 -4.091 -5.194 9.593 110 H SER 15 H SER 15 -2.245 -4.651 7.098 111 HA SER 15 HA SER 15 -1.084 -2.632 8.945 112 HB2 SER 15 2HB SER 15 0.001 -4.672 10.150 113 HB3 SER 15 3HB SER 15 -1.667 -4.265 10.490 114 HG SER 15 HG SER 15 -1.942 -6.321 9.992 115 HA PRO 16 HA PRO 16 2.791 -3.042 6.766 116 HB2 PRO 16 2HB PRO 16 4.137 -3.385 9.408 117 HB3 PRO 16 3HB PRO 16 4.483 -2.204 8.136 118 HG2 PRO 16 2HG PRO 16 3.195 -1.482 10.432 119 HG3 PRO 16 3HG PRO 16 2.711 -0.787 8.855 120 HD2 PRO 16 2HD PRO 16 1.366 -3.030 10.386 121 HD3 PRO 16 3HD PRO 16 0.668 -1.655 9.495 122 H ASN 17 H ASN 17 4.504 -4.548 6.304 123 HA ASN 17 HA ASN 17 4.190 -7.318 7.399 124 HB2 ASN 17 2HB ASN 17 3.542 -7.222 5.071 125 HB3 ASN 17 3HB ASN 17 4.982 -6.345 4.637 126 HD21 ASN 17 1HD2 ASN 17 4.968 -8.297 3.076 127 HD22 ASN 17 2HD2 ASN 17 5.813 -9.724 3.649 128 H GLY 18 H GLY 18 5.637 -7.136 9.098 129 HA2 GLY 18 2HA GLY 18 7.626 -6.957 10.233 130 HA3 GLY 18 3HA GLY 18 8.400 -7.462 8.728 131 H ALA 19 H ALA 19 9.838 -6.086 7.979 132 HA ALA 19 HA ALA 19 10.201 -3.406 8.918 133 HB1 ALA 19 1HB ALA 19 11.430 -4.931 6.578 134 HB2 ALA 19 2HB ALA 19 12.071 -3.439 7.289 135 HB3 ALA 19 3HB ALA 19 12.015 -4.921 8.258 136 H LYS 20 H LYS 20 8.159 -4.519 6.236 137 HA LYS 20 HA LYS 20 8.380 -1.850 4.913 138 HB2 LYS 20 2HB LYS 20 7.263 -4.481 3.882 139 HB3 LYS 20 3HB LYS 20 7.330 -2.967 2.988 140 HG2 LYS 20 2HG LYS 20 9.364 -3.445 2.269 141 HG3 LYS 20 3HG LYS 20 10.000 -3.384 3.909 142 HD2 LYS 20 2HD LYS 20 9.365 -5.784 4.199 143 HD3 LYS 20 3HD LYS 20 8.828 -5.843 2.521 144 HE2 LYS 20 2HE LYS 20 11.660 -5.287 3.519 145 HE3 LYS 20 3HE LYS 20 11.084 -6.800 2.821 146 HZ1 LYS 20 1HZ LYS 20 12.235 -5.530 1.132 147 HZ2 LYS 20 2HZ LYS 20 10.657 -5.565 0.733 148 HZ3 LYS 20 3HZ LYS 20 11.329 -4.209 1.376 149 H ARG 21 H ARG 21 6.756 -0.496 4.691 150 HA ARG 21 HA ARG 21 3.945 -1.324 5.009 151 HB2 ARG 21 2HB ARG 21 3.396 -0.051 6.763 152 HB3 ARG 21 3HB ARG 21 5.081 -0.219 7.220 153 HG2 ARG 21 2HG ARG 21 5.559 2.005 6.185 154 HG3 ARG 21 3HG ARG 21 3.854 2.122 5.728 155 HD2 ARG 21 2HD ARG 21 3.373 1.767 8.270 156 HD3 ARG 21 3HD ARG 21 5.047 2.240 8.495 157 HE ARG 21 HE ARG 21 2.784 3.888 7.559 158 HH11 ARG 21 1HH1 ARG 21 6.294 3.775 7.704 159 HH12 ARG 21 2HH1 ARG 21 6.426 5.495 7.372 160 HH21 ARG 21 1HH2 ARG 21 3.106 6.161 7.545 161 HH22 ARG 21 2HH2 ARG 21 4.729 6.743 7.279 162 H CYS 22 H CYS 22 2.448 0.281 3.923 163 HA CYS 22 HA CYS 22 3.153 1.168 1.452 164 HB2 CYS 22 2HB CYS 22 1.171 2.348 3.452 165 HB3 CYS 22 3HB CYS 22 1.240 2.820 1.755 166 H GLY 23 H GLY 23 3.118 3.461 4.238 167 HA2 GLY 23 2HA GLY 23 4.255 5.661 2.981 168 HA3 GLY 23 3HA GLY 23 4.345 5.331 4.704 169 H THR 24 H THR 24 6.047 2.793 3.457 170 HA THR 24 HA THR 24 8.515 4.250 2.774 171 HB THR 24 HB THR 24 8.548 3.849 5.219 172 HG1 THR 24 HG1 THR 24 10.585 3.708 5.111 173 HG21 THR 24 1HG2 THR 24 9.049 0.959 4.427 174 HG22 THR 24 2HG2 THR 24 9.118 1.657 6.057 175 HG23 THR 24 3HG2 THR 24 7.567 1.563 5.199 176 H CYS 25 H CYS 25 6.416 2.269 1.464 177 HA CYS 25 HA CYS 25 7.960 -0.069 0.794 178 HB2 CYS 25 2HB CYS 25 6.118 -0.738 -0.374 179 HB3 CYS 25 3HB CYS 25 5.372 0.366 0.739 180 H ARG 26 H ARG 26 6.892 2.409 -1.350 181 HA ARG 26 HA ARG 26 9.377 3.670 -1.949 182 HB2 ARG 26 2HB ARG 26 9.858 1.776 -3.411 183 HB3 ARG 26 3HB ARG 26 8.240 1.830 -4.105 184 HG2 ARG 26 2HG ARG 26 9.888 2.687 -5.671 185 HG3 ARG 26 3HG ARG 26 8.744 3.941 -5.227 186 HD2 ARG 26 2HD ARG 26 10.481 4.839 -3.600 187 HD3 ARG 26 3HD ARG 26 11.610 3.630 -4.243 188 HE ARG 26 HE ARG 26 10.339 5.352 -6.254 189 HH11 ARG 26 1HH1 ARG 26 13.031 5.370 -4.032 190 HH12 ARG 26 2HH1 ARG 26 14.078 6.217 -5.158 191 HH21 ARG 26 1HH2 ARG 26 11.616 6.625 -7.528 192 HH22 ARG 26 2HH2 ARG 26 13.051 7.338 -6.834 193 H GLN 27 H GLN 27 5.966 3.057 -2.759 194 HA GLN 27 HA GLN 27 5.695 5.883 -3.678 195 HB2 GLN 27 2HB GLN 27 3.812 3.552 -4.059 196 HB3 GLN 27 3HB GLN 27 3.534 5.198 -4.613 197 HG2 GLN 27 2HG GLN 27 5.823 3.414 -5.574 198 HG3 GLN 27 3HG GLN 27 4.276 3.592 -6.373 199 HE21 GLN 27 1HE2 GLN 27 5.197 4.343 -8.344 200 HE22 GLN 27 2HE2 GLN 27 5.990 5.909 -8.435 201 H PHE 28 H PHE 28 2.954 4.155 -2.309 202 HA PHE 28 HA PHE 28 1.255 5.058 -1.208 203 HB2 PHE 28 2HB PHE 28 2.492 4.556 0.761 204 HB3 PHE 28 3HB PHE 28 3.374 6.076 0.694 205 HD1 PHE 28 HD1 PHE 28 -0.210 4.857 0.730 206 HD2 PHE 28 HD2 PHE 28 2.644 7.773 2.141 207 HE1 PHE 28 HE1 PHE 28 -2.003 6.008 2.006 208 HE2 PHE 28 HE2 PHE 28 0.858 8.860 3.478 209 HZ PHE 28 HZ PHE 28 -1.474 8.009 3.371 210 H ARG 29 H ARG 29 -0.063 6.929 -0.800 211 HA ARG 29 HA ARG 29 0.945 9.512 -1.815 212 HB2 ARG 29 2HB ARG 29 0.277 8.282 -3.802 213 HB3 ARG 29 3HB ARG 29 -1.282 7.899 -3.113 214 HG2 ARG 29 2HG ARG 29 -1.497 9.677 -4.754 215 HG3 ARG 29 3HG ARG 29 -1.888 10.283 -3.136 216 HD2 ARG 29 2HD ARG 29 0.433 11.170 -2.948 217 HD3 ARG 29 3HD ARG 29 0.772 10.618 -4.594 218 HE ARG 29 HE ARG 29 -1.445 12.222 -4.925 219 HH11 ARG 29 1HH1 ARG 29 1.624 12.846 -3.223 220 HH12 ARG 29 2HH1 ARG 29 1.468 14.567 -3.546 221 HH21 ARG 29 1HH2 ARG 29 -1.324 14.422 -5.436 222 HH22 ARG 29 2HH2 ARG 29 -0.076 15.396 -4.667 223 HA PRO 30 HA PRO 30 -1.683 10.239 1.803 224 HB2 PRO 30 2HB PRO 30 -0.654 13.040 1.379 225 HB3 PRO 30 3HB PRO 30 -0.795 12.111 2.902 226 HG2 PRO 30 2HG PRO 30 1.606 12.409 1.670 227 HG3 PRO 30 3HG PRO 30 1.147 10.831 2.383 228 HD2 PRO 30 2HD PRO 30 1.009 11.711 -0.507 229 HD3 PRO 30 3HD PRO 30 1.594 10.161 0.179 230 HA PRO 31 HA PRO 31 -3.182 11.308 3.162 231 HB2 PRO 31 2HB PRO 31 -5.826 11.269 3.780 232 HB3 PRO 31 3HB PRO 31 -4.910 12.789 3.553 233 HG2 PRO 31 2HG PRO 31 -6.648 11.356 1.513 234 HG3 PRO 31 3HG PRO 31 -6.696 13.085 1.990 235 HD2 PRO 31 2HD PRO 31 -5.309 12.254 -0.201 236 HD3 PRO 31 3HD PRO 31 -4.689 13.558 0.845 237 H SER 32 H SER 32 -5.122 9.602 0.660 238 HA SER 32 HA SER 32 -4.714 7.022 2.060 239 HB2 SER 32 2HB SER 32 -7.150 6.536 2.025 240 HB3 SER 32 3HB SER 32 -6.705 7.858 3.103 241 HG SER 32 HG SER 32 -7.736 8.195 0.454 242 H SER 33 H SER 33 -3.560 7.812 -0.390 243 HA SER 33 HA SER 33 -4.839 5.882 -2.291 244 HB2 SER 33 2HB SER 33 -3.413 8.490 -2.901 245 HB3 SER 33 3HB SER 33 -3.832 7.278 -4.119 246 HG SER 33 HG SER 33 -5.425 8.852 -4.054 247 H CYS 34 H CYS 34 -3.191 5.147 -3.954 248 HA CYS 34 HA CYS 34 -0.379 5.181 -3.003 249 HB2 CYS 34 2HB CYS 34 -1.365 2.940 -2.521 250 HB3 CYS 34 3HB CYS 34 -1.754 2.765 -4.236 251 H ILE 35 H ILE 35 0.971 4.389 -4.934 252 HA ILE 35 HA ILE 35 0.036 5.559 -7.519 253 HB ILE 35 HB ILE 35 2.928 5.807 -6.728 254 HG12 ILE 35 2HG1 ILE 35 0.779 7.888 -6.183 255 HG13 ILE 35 3HG1 ILE 35 1.750 7.024 -4.980 256 HG21 ILE 35 1HG2 ILE 35 1.219 7.356 -8.716 257 HG22 ILE 35 2HG2 ILE 35 2.973 7.528 -8.479 258 HG23 ILE 35 3HG2 ILE 35 2.337 6.044 -9.134 259 HD11 ILE 35 1HD1 ILE 35 3.806 8.100 -5.867 260 HD12 ILE 35 2HD1 ILE 35 2.775 9.122 -6.905 261 HD13 ILE 35 3HD1 ILE 35 2.631 9.213 -5.147 262 H THR 36 H THR 36 1.487 2.879 -5.807 263 HA THR 36 HA THR 36 2.153 1.494 -8.343 264 HB THR 36 HB THR 36 1.965 -0.121 -5.883 265 HG1 THR 36 HG1 THR 36 3.214 0.946 -4.728 266 HG21 THR 36 1HG2 THR 36 4.221 0.281 -7.884 267 HG22 THR 36 2HG2 THR 36 4.039 -1.050 -6.721 268 HG23 THR 36 3HG2 THR 36 2.902 -0.891 -8.073 269 H VAL 37 H VAL 37 -0.425 1.682 -5.912 270 HA VAL 37 HA VAL 37 -2.106 -0.114 -7.616 271 HB VAL 37 HB VAL 37 -3.147 -1.058 -5.671 272 HG11 VAL 37 1HG1 VAL 37 -0.115 -1.269 -5.477 273 HG12 VAL 37 2HG1 VAL 37 -1.273 -2.359 -4.738 274 HG13 VAL 37 3HG1 VAL 37 -1.203 -2.231 -6.512 275 HG21 VAL 37 1HG2 VAL 37 -2.925 0.789 -4.042 276 HG22 VAL 37 2HG2 VAL 37 -2.333 -0.743 -3.399 277 HG23 VAL 37 3HG2 VAL 37 -1.169 0.465 -3.940 278 H GLU 38 H GLU 38 -4.432 0.127 -7.300 279 HA GLU 38 HA GLU 38 -5.396 2.817 -7.369 280 HB2 GLU 38 2HB GLU 38 -6.778 0.149 -6.912 281 HB3 GLU 38 3HB GLU 38 -7.646 1.680 -6.953 282 HG2 GLU 38 2HG GLU 38 -6.724 2.192 -9.137 283 HG3 GLU 38 3HG GLU 38 -5.887 0.646 -9.213 284 H SER 39 H SER 39 -6.696 3.968 -6.041 285 HA SER 39 HA SER 39 -6.432 3.834 -3.123 286 HB2 SER 39 2HB SER 39 -8.096 5.759 -3.277 287 HB3 SER 39 3HB SER 39 -6.563 6.012 -4.117 288 HG SER 39 HG SER 39 -7.518 5.694 -6.051 289 HA PRO 40 HA PRO 40 -7.889 4.694 -1.404 290 HB2 PRO 40 2HB PRO 40 -9.303 4.039 0.773 291 HB3 PRO 40 3HB PRO 40 -10.039 4.956 -0.576 292 HG2 PRO 40 2HG PRO 40 -10.211 1.976 -0.028 293 HG3 PRO 40 3HG PRO 40 -11.539 3.103 -0.424 294 HD2 PRO 40 2HD PRO 40 -10.288 1.525 -2.315 295 HD3 PRO 40 3HD PRO 40 -10.999 3.119 -2.692 296 H ILE 41 H ILE 41 -6.470 4.450 0.279 297 HA ILE 41 HA ILE 41 -5.404 1.775 1.009 298 HB ILE 41 HB ILE 41 -4.210 3.930 -0.712 299 HG12 ILE 41 2HG1 ILE 41 -5.049 1.924 -1.785 300 HG13 ILE 41 3HG1 ILE 41 -3.329 2.090 -2.012 301 HG21 ILE 41 1HG2 ILE 41 -2.352 2.210 0.941 302 HG22 ILE 41 2HG2 ILE 41 -1.910 3.250 -0.403 303 HG23 ILE 41 3HG2 ILE 41 -2.569 3.965 1.059 304 HD11 ILE 41 1HD1 ILE 41 -2.954 0.352 -0.219 305 HD12 ILE 41 2HD1 ILE 41 -4.718 0.123 -0.142 306 HD13 ILE 41 3HD1 ILE 41 -3.837 -0.232 -1.627 307 H SER 42 H SER 42 -3.857 1.842 2.735 308 HA SER 42 HA SER 42 -4.217 4.101 4.678 309 HB2 SER 42 2HB SER 42 -5.032 2.065 5.626 310 HB3 SER 42 3HB SER 42 -3.662 1.138 5.002 311 HG SER 42 HG SER 42 -3.476 1.534 7.194 312 H GLU 43 H GLU 43 -2.327 5.112 5.482 313 HA GLU 43 HA GLU 43 0.131 4.827 4.094 314 HB2 GLU 43 2HB GLU 43 1.121 6.191 5.761 315 HB3 GLU 43 3HB GLU 43 -0.482 6.825 5.412 316 HG2 GLU 43 2HG GLU 43 -1.407 6.068 7.439 317 HG3 GLU 43 3HG GLU 43 -0.045 5.011 7.777 318 H ASN 44 H ASN 44 -1.116 2.663 6.530 319 HA ASN 44 HA ASN 44 1.534 1.528 7.144 320 HB2 ASN 44 2HB ASN 44 -1.258 1.637 8.344 321 HB3 ASN 44 3HB ASN 44 -0.214 0.333 8.754 322 HD21 ASN 44 1HD2 ASN 44 -0.586 1.086 10.879 323 HD22 ASN 44 2HD2 ASN 44 0.618 2.181 11.498 324 H GLY 45 H GLY 45 -1.371 0.818 5.280 325 HA2 GLY 45 2HA GLY 45 -1.340 -2.022 5.791 326 HA3 GLY 45 3HA GLY 45 -2.467 -1.134 4.792 327 H TRP 46 H TRP 46 0.891 -2.217 4.808 328 HA TRP 46 HA TRP 46 1.828 -2.100 2.308 329 HB2 TRP 46 2HB TRP 46 2.950 -3.114 4.284 330 HB3 TRP 46 3HB TRP 46 1.911 -4.507 4.150 331 HD1 TRP 46 HD1 TRP 46 4.803 -2.827 2.240 332 HE1 TRP 46 HE1 TRP 46 5.992 -4.603 0.810 333 HE3 TRP 46 HE3 TRP 46 1.613 -6.752 2.948 334 HZ2 TRP 46 HZ2 TRP 46 5.814 -7.464 0.385 335 HZ3 TRP 46 HZ3 TRP 46 2.106 -8.973 1.958 336 HH2 TRP 46 HH2 TRP 46 4.192 -9.326 0.654 337 H CYS 47 H CYS 47 1.738 -2.994 0.317 338 HA CYS 47 HA CYS 47 0.066 -5.412 -0.180 339 HB2 CYS 47 2HB CYS 47 -0.691 -4.527 -2.217 340 HB3 CYS 47 3HB CYS 47 -0.650 -3.054 -1.223 341 H ARG 48 H ARG 48 0.798 -6.522 -2.224 342 HA ARG 48 HA ARG 48 3.640 -7.206 -1.860 343 HB2 ARG 48 2HB ARG 48 1.575 -8.465 -3.712 344 HB3 ARG 48 3HB ARG 48 3.127 -9.152 -3.199 345 HG2 ARG 48 2HG ARG 48 2.289 -9.064 -0.820 346 HG3 ARG 48 3HG ARG 48 0.686 -8.642 -1.436 347 HD2 ARG 48 2HD ARG 48 2.259 -11.165 -2.079 348 HD3 ARG 48 3HD ARG 48 0.920 -10.989 -0.931 349 HE ARG 48 HE ARG 48 0.393 -10.250 -3.767 350 HH11 ARG 48 1HH1 ARG 48 -0.232 -12.595 -1.206 351 HH12 ARG 48 2HH1 ARG 48 -1.451 -13.399 -2.173 352 HH21 ARG 48 1HH2 ARG 48 -1.104 -11.204 -4.827 353 HH22 ARG 48 2HH2 ARG 48 -2.128 -12.435 -4.094 354 H LEU 49 H LEU 49 1.945 -5.135 -4.028 355 HA LEU 49 HA LEU 49 3.532 -5.827 -6.380 356 HB2 LEU 49 2HB LEU 49 1.147 -5.137 -6.443 357 HB3 LEU 49 3HB LEU 49 1.610 -3.524 -5.894 358 HG LEU 49 HG LEU 49 2.925 -3.210 -7.998 359 HD11 LEU 49 1HD1 LEU 49 1.743 -5.901 -8.789 360 HD12 LEU 49 2HD1 LEU 49 2.596 -4.789 -9.878 361 HD13 LEU 49 3HD1 LEU 49 3.472 -5.555 -8.555 362 HD21 LEU 49 1HD2 LEU 49 0.581 -2.507 -7.876 363 HD22 LEU 49 2HD2 LEU 49 0.998 -3.041 -9.506 364 HD23 LEU 49 3HD2 LEU 49 0.060 -4.114 -8.436 365 H TYR 50 H TYR 50 3.905 -3.642 -3.762 366 HA TYR 50 HA TYR 50 5.022 -1.420 -4.528 367 HB2 TYR 50 2HB TYR 50 6.098 -1.209 -2.505 368 HB3 TYR 50 3HB TYR 50 4.719 -2.248 -2.183 369 HD1 TYR 50 HD1 TYR 50 5.231 -4.854 -2.155 370 HD2 TYR 50 HD2 TYR 50 8.258 -1.810 -1.807 371 HE1 TYR 50 HE1 TYR 50 6.835 -6.547 -1.291 372 HE2 TYR 50 HE2 TYR 50 9.829 -3.490 -0.860 373 HH TYR 50 HH TYR 50 8.963 -6.950 -0.580 374 H ALA 51 H ALA 51 6.714 -0.463 -5.341 375 HA ALA 51 HA ALA 51 8.654 -2.001 -6.808 376 HB1 ALA 51 1HB ALA 51 9.303 0.213 -7.709 377 HB2 ALA 51 2HB ALA 51 7.550 -0.034 -7.759 378 HB3 ALA 51 3HB ALA 51 8.263 1.003 -6.505 379 H GLY 52 H GLY 52 11.000 -1.313 -6.885 380 HA2 GLY 52 2HA GLY 52 12.237 -1.855 -4.391 381 HA3 GLY 52 3HA GLY 52 13.054 -1.416 -5.885 382 H LYS 53 H LYS 53 13.611 -0.626 -3.095 383 HA LYS 53 HA LYS 53 13.260 2.228 -2.913 384 HB2 LYS 53 2HB LYS 53 13.812 0.089 -1.148 385 HB3 LYS 53 3HB LYS 53 15.358 0.921 -1.281 386 HG2 LYS 53 2HG LYS 53 14.171 1.844 0.570 387 HG3 LYS 53 3HG LYS 53 14.163 3.058 -0.718 388 HD2 LYS 53 2HD LYS 53 11.824 2.097 -1.339 389 HD3 LYS 53 3HD LYS 53 11.879 1.245 0.198 390 HE2 LYS 53 2HE LYS 53 12.286 4.258 -0.050 391 HE3 LYS 53 3HE LYS 53 10.675 3.546 0.076 392 HZ1 LYS 53 1HZ LYS 53 12.749 3.044 2.130 393 HZ2 LYS 53 2HZ LYS 53 11.757 4.323 2.187 394 HZ3 LYS 53 3HZ LYS 53 11.109 2.819 2.239 395 H ALA 54 H ALA 54 14.359 3.599 -3.794 396 HA ALA 54 HA ALA 54 17.122 3.258 -4.877 397 HB1 ALA 54 1HB ALA 54 14.719 4.103 -6.559 398 HB2 ALA 54 2HB ALA 54 16.410 4.048 -7.097 399 HB3 ALA 54 3HB ALA 54 15.575 2.551 -6.659
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