NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
461651 | 2e7h | 11227 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.275 23.360 5.145 2 HA2 GLY 1 1HA GLY 1 14.390 20.789 4.191 3 HA3 GLY 1 2HA GLY 1 16.127 20.875 4.443 4 H SER 2 H SER 2 14.377 19.145 5.839 5 HA SER 2 HA SER 2 14.029 20.308 8.482 6 HB2 SER 2 1HB SER 2 12.441 18.616 7.250 7 HB3 SER 2 2HB SER 2 13.559 17.409 7.884 8 HG SER 2 HG SER 2 13.163 18.330 9.980 9 H SER 3 H SER 3 15.498 20.179 10.038 10 HA SER 3 HA SER 3 17.972 18.817 9.633 11 HB2 SER 3 1HB SER 3 16.792 20.501 11.803 12 HB3 SER 3 2HB SER 3 18.207 19.516 12.177 13 HG SER 3 HG SER 3 19.091 21.336 11.432 14 H GLY 4 H GLY 4 18.163 16.683 9.804 15 HA2 GLY 4 1HA GLY 4 18.285 14.669 10.978 16 HA3 GLY 4 2HA GLY 4 17.279 15.369 12.237 17 H SER 5 H SER 5 17.353 13.506 9.343 18 HA SER 5 HA SER 5 14.510 13.540 8.902 19 HB2 SER 5 1HB SER 5 16.613 11.671 7.782 20 HB3 SER 5 2HB SER 5 14.963 11.854 7.187 21 HG SER 5 HG SER 5 16.808 13.086 6.148 22 H SER 6 H SER 6 13.086 11.764 9.162 23 HA SER 6 HA SER 6 13.686 10.184 11.529 24 HB2 SER 6 1HB SER 6 11.509 11.415 11.259 25 HB3 SER 6 2HB SER 6 11.101 10.295 9.959 26 HG SER 6 HG SER 6 11.728 8.694 11.804 27 H GLY 7 H GLY 7 12.952 9.723 8.110 28 HA2 GLY 7 1HA GLY 7 14.200 7.116 8.177 29 HA3 GLY 7 2HA GLY 7 12.471 7.073 7.864 30 HA PRO 8 HA PRO 8 14.547 7.406 3.768 31 HB2 PRO 8 1HB PRO 8 12.837 5.705 2.522 32 HB3 PRO 8 2HB PRO 8 14.260 5.154 3.415 33 HG2 PRO 8 1HG PRO 8 11.397 5.249 4.285 34 HG3 PRO 8 2HG PRO 8 12.598 3.967 4.528 35 HD2 PRO 8 1HD PRO 8 11.949 5.742 6.467 36 HD3 PRO 8 2HD PRO 8 13.576 5.049 6.313 37 HA PRO 9 HA PRO 9 11.776 10.239 1.864 38 HB2 PRO 9 1HB PRO 9 12.013 9.662 -0.778 39 HB3 PRO 9 2HB PRO 9 13.291 10.454 0.150 40 HG2 PRO 9 1HG PRO 9 13.020 7.575 -0.625 41 HG3 PRO 9 2HG PRO 9 14.459 8.612 -0.656 42 HD2 PRO 9 1HD PRO 9 13.988 6.831 1.329 43 HD3 PRO 9 2HD PRO 9 14.840 8.364 1.604 44 H ALA 10 H ALA 10 9.651 10.438 1.372 45 HA ALA 10 HA ALA 10 7.862 8.373 1.639 46 HB1 ALA 10 1HB ALA 10 7.742 11.134 0.920 47 HB2 ALA 10 2HB ALA 10 6.647 10.216 -0.114 48 HB3 ALA 10 3HB ALA 10 6.493 10.118 1.640 49 H VAL 11 H VAL 11 7.655 6.581 0.479 50 HA VAL 11 HA VAL 11 8.728 5.913 -1.912 51 HB VAL 11 HB VAL 11 5.944 5.029 -1.164 52 HG11 VAL 11 1HG1 VAL 11 6.937 4.362 -3.379 53 HG12 VAL 11 2HG1 VAL 11 8.162 3.472 -2.475 54 HG13 VAL 11 3HG1 VAL 11 6.461 3.028 -2.330 55 HG21 VAL 11 1HG2 VAL 11 6.909 4.534 0.827 56 HG22 VAL 11 2HG2 VAL 11 7.478 3.127 -0.072 57 HG23 VAL 11 3HG2 VAL 11 8.541 4.516 0.158 58 H SER 12 H SER 12 8.388 6.279 -4.030 59 HA SER 12 HA SER 12 5.965 7.752 -4.816 60 HB2 SER 12 1HB SER 12 7.400 9.059 -6.415 61 HB3 SER 12 2HB SER 12 7.709 9.409 -4.714 62 HG SER 12 HG SER 12 9.219 7.397 -5.919 63 H ASP 13 H ASP 13 5.953 7.852 -7.370 64 HA ASP 13 HA ASP 13 5.423 6.592 -9.204 65 HB2 ASP 13 1HB ASP 13 8.269 5.949 -8.557 66 HB3 ASP 13 2HB ASP 13 7.475 5.056 -9.851 67 H ILE 14 H ILE 14 4.040 5.537 -7.244 68 HA ILE 14 HA ILE 14 4.648 2.715 -6.924 69 HB ILE 14 HB ILE 14 2.356 4.389 -5.897 70 HG12 ILE 14 1HG1 ILE 14 4.540 3.058 -4.305 71 HG13 ILE 14 2HG1 ILE 14 4.737 4.675 -4.971 72 HG21 ILE 14 1HG2 ILE 14 1.616 2.101 -6.258 73 HG22 ILE 14 2HG2 ILE 14 3.001 1.495 -5.352 74 HG23 ILE 14 3HG2 ILE 14 1.757 2.441 -4.534 75 HD11 ILE 14 1HD1 ILE 14 2.634 5.304 -3.734 76 HD12 ILE 14 2HD1 ILE 14 2.765 3.750 -2.910 77 HD13 ILE 14 3HD1 ILE 14 4.047 4.949 -2.741 78 H ARG 15 H ARG 15 4.296 1.576 -8.748 79 HA ARG 15 HA ARG 15 1.845 2.036 -10.276 80 HB2 ARG 15 1HB ARG 15 4.301 0.377 -10.864 81 HB3 ARG 15 2HB ARG 15 2.893 0.455 -11.914 82 HG2 ARG 15 1HG ARG 15 4.285 2.970 -11.114 83 HG3 ARG 15 2HG ARG 15 4.956 1.954 -12.391 84 HD2 ARG 15 1HD ARG 15 2.695 2.044 -13.495 85 HD3 ARG 15 2HD ARG 15 2.248 3.269 -12.309 86 HE ARG 15 HE ARG 15 4.629 4.072 -13.523 87 HH11 ARG 15 2HH1 ARG 15 1.288 3.559 -14.356 88 HH12 ARG 15 1HH1 ARG 15 1.283 4.750 -15.614 89 HH21 ARG 15 2HH2 ARG 15 4.635 5.644 -15.177 90 HH22 ARG 15 1HH2 ARG 15 3.188 5.935 -16.080 91 H VAL 16 H VAL 16 0.286 0.478 -10.596 92 HA VAL 16 HA VAL 16 0.474 -1.889 -8.849 93 HB VAL 16 HB VAL 16 -1.272 -0.649 -7.938 94 HG11 VAL 16 1HG1 VAL 16 -2.941 0.566 -9.187 95 HG12 VAL 16 2HG1 VAL 16 -1.336 1.040 -9.747 96 HG13 VAL 16 3HG1 VAL 16 -2.315 -0.070 -10.708 97 HG21 VAL 16 1HG2 VAL 16 -1.865 -3.021 -8.654 98 HG22 VAL 16 2HG2 VAL 16 -3.206 -1.944 -8.266 99 HG23 VAL 16 3HG2 VAL 16 -2.800 -2.275 -9.950 100 H THR 17 H THR 17 0.751 -3.699 -9.960 101 HA THR 17 HA THR 17 -0.489 -3.927 -12.624 102 HB THR 17 HB THR 17 2.058 -4.026 -12.465 103 HG1 THR 17 1HG THR 17 1.004 -4.811 -14.298 104 HG21 THR 17 1HG2 THR 17 1.362 -6.677 -11.202 105 HG22 THR 17 2HG2 THR 17 2.332 -5.379 -10.504 106 HG23 THR 17 3HG2 THR 17 2.942 -6.294 -11.882 107 H ARG 18 H ARG 18 -0.933 -6.264 -13.250 108 HA ARG 18 HA ARG 18 -2.255 -8.093 -12.940 109 HB2 ARG 18 1HB ARG 18 -0.623 -8.199 -10.400 110 HB3 ARG 18 2HB ARG 18 -1.675 -9.498 -10.945 111 HG2 ARG 18 1HG ARG 18 0.556 -8.427 -12.642 112 HG3 ARG 18 2HG ARG 18 0.794 -9.719 -11.465 113 HD2 ARG 18 1HD ARG 18 -0.701 -11.158 -12.604 114 HD3 ARG 18 2HD ARG 18 -1.308 -9.845 -13.611 115 HE ARG 18 HE ARG 18 1.419 -10.080 -14.103 116 HH11 ARG 18 2HH1 ARG 18 -1.476 -11.971 -14.504 117 HH12 ARG 18 1HH1 ARG 18 -0.884 -12.822 -15.892 118 HH21 ARG 18 2HH2 ARG 18 2.210 -11.193 -15.930 119 HH22 ARG 18 1HH2 ARG 18 1.213 -12.379 -16.702 120 H SER 19 H SER 19 -3.747 -5.977 -12.525 121 HA SER 19 HA SER 19 -4.872 -5.636 -9.969 122 HB2 SER 19 1HB SER 19 -6.819 -4.639 -11.276 123 HB3 SER 19 2HB SER 19 -5.239 -3.915 -11.571 124 HG SER 19 HG SER 19 -6.601 -4.482 -13.465 125 H SER 20 H SER 20 -7.113 -6.166 -9.348 126 HA SER 20 HA SER 20 -8.452 -8.360 -10.601 127 HB2 SER 20 1HB SER 20 -6.662 -8.848 -8.268 128 HB3 SER 20 2HB SER 20 -8.207 -9.697 -8.307 129 HG SER 20 HG SER 20 -6.684 -9.700 -10.639 130 HA PRO 21 HA PRO 21 -11.884 -6.740 -8.401 131 HB2 PRO 21 1HB PRO 21 -13.396 -8.956 -7.982 132 HB3 PRO 21 2HB PRO 21 -13.203 -8.211 -9.574 133 HG2 PRO 21 1HG PRO 21 -11.806 -10.591 -8.414 134 HG3 PRO 21 2HG PRO 21 -12.469 -10.368 -10.043 135 HD2 PRO 21 1HD PRO 21 -9.829 -10.113 -9.497 136 HD3 PRO 21 2HD PRO 21 -10.640 -9.162 -10.759 137 H SER 22 H SER 22 -10.564 -9.709 -6.955 138 HA SER 22 HA SER 22 -11.174 -8.590 -4.297 139 HB2 SER 22 1HB SER 22 -12.383 -10.712 -4.900 140 HB3 SER 22 2HB SER 22 -10.815 -11.517 -4.974 141 HG SER 22 HG SER 22 -10.579 -11.294 -2.828 142 H SER 23 H SER 23 -8.817 -8.027 -5.878 143 HA SER 23 HA SER 23 -6.836 -8.362 -3.904 144 HB2 SER 23 1HB SER 23 -5.276 -9.813 -5.283 145 HB3 SER 23 2HB SER 23 -6.654 -10.649 -4.567 146 HG SER 23 HG SER 23 -6.998 -11.281 -6.542 147 H LEU 24 H LEU 24 -4.974 -7.163 -4.339 148 HA LEU 24 HA LEU 24 -4.679 -5.938 -6.964 149 HB2 LEU 24 1HB LEU 24 -5.200 -4.388 -4.437 150 HB3 LEU 24 2HB LEU 24 -4.490 -3.669 -5.881 151 HG LEU 24 HG LEU 24 -7.174 -5.019 -5.939 152 HD11 LEU 24 1HD1 LEU 24 -6.953 -3.112 -4.220 153 HD12 LEU 24 2HD1 LEU 24 -8.275 -3.054 -5.386 154 HD13 LEU 24 3HD1 LEU 24 -6.838 -2.061 -5.632 155 HD21 LEU 24 1HD2 LEU 24 -7.498 -3.633 -7.906 156 HD22 LEU 24 2HD2 LEU 24 -6.037 -4.606 -8.075 157 HD23 LEU 24 3HD2 LEU 24 -5.914 -2.894 -7.669 158 H SER 25 H SER 25 -2.629 -6.380 -7.424 159 HA SER 25 HA SER 25 -0.633 -6.579 -5.335 160 HB2 SER 25 1HB SER 25 -0.325 -8.242 -6.941 161 HB3 SER 25 2HB SER 25 -0.681 -7.153 -8.282 162 HG SER 25 HG SER 25 1.666 -7.832 -7.517 163 H LEU 26 H LEU 26 0.738 -5.028 -4.753 164 HA LEU 26 HA LEU 26 0.939 -2.639 -6.465 165 HB2 LEU 26 1HB LEU 26 1.296 -2.868 -3.480 166 HB3 LEU 26 2HB LEU 26 1.454 -1.388 -4.424 167 HG LEU 26 HG LEU 26 -1.132 -2.865 -4.518 168 HD11 LEU 26 1HD1 LEU 26 -1.888 -1.609 -2.521 169 HD12 LEU 26 2HD1 LEU 26 -0.212 -1.153 -2.215 170 HD13 LEU 26 3HD1 LEU 26 -0.688 -2.850 -2.157 171 HD21 LEU 26 1HD2 LEU 26 -1.494 -1.055 -5.778 172 HD22 LEU 26 2HD2 LEU 26 -0.074 -0.219 -5.149 173 HD23 LEU 26 3HD2 LEU 26 -1.593 -0.177 -4.252 174 H ALA 27 H ALA 27 2.965 -1.617 -6.685 175 HA ALA 27 HA ALA 27 5.329 -2.857 -5.576 176 HB1 ALA 27 1HB ALA 27 4.486 -3.307 -8.376 177 HB2 ALA 27 2HB ALA 27 6.192 -2.955 -8.101 178 HB3 ALA 27 3HB ALA 27 5.434 -4.329 -7.296 179 H TRP 28 H TRP 28 6.796 -1.332 -5.186 180 HA TRP 28 HA TRP 28 6.564 1.218 -6.643 181 HB2 TRP 28 1HB TRP 28 7.952 1.959 -4.484 182 HB3 TRP 28 2HB TRP 28 6.191 1.902 -4.495 183 HD1 TRP 28 HD TRP 28 8.978 0.852 -2.431 184 HE1 TRP 28 1HE TRP 28 8.300 -1.021 -0.802 185 HE3 TRP 28 3HE TRP 28 4.545 -0.523 -4.574 186 HZ2 TRP 28 2HZ TRP 28 6.169 -2.841 -0.469 187 HZ3 TRP 28 3HZ TRP 28 3.248 -2.339 -3.539 188 HH2 TRP 28 HH TRP 28 4.045 -3.473 -1.529 189 H ALA 29 H ALA 29 8.683 2.476 -6.671 190 HA ALA 29 HA ALA 29 10.758 0.682 -7.674 191 HB1 ALA 29 1HB ALA 29 10.860 3.671 -7.847 192 HB2 ALA 29 2HB ALA 29 11.579 2.467 -8.918 193 HB3 ALA 29 3HB ALA 29 9.836 2.732 -8.933 194 H VAL 30 H VAL 30 12.286 0.054 -6.306 195 HA VAL 30 HA VAL 30 12.834 0.735 -3.791 196 HB VAL 30 HB VAL 30 14.939 0.221 -5.895 197 HG11 VAL 30 1HG1 VAL 30 15.784 1.273 -3.776 198 HG12 VAL 30 2HG1 VAL 30 15.201 -0.155 -2.919 199 HG13 VAL 30 3HG1 VAL 30 16.458 -0.314 -4.146 200 HG21 VAL 30 1HG2 VAL 30 14.718 -2.051 -5.434 201 HG22 VAL 30 2HG2 VAL 30 13.875 -1.761 -3.913 202 HG23 VAL 30 3HG2 VAL 30 13.051 -1.475 -5.446 203 HA PRO 31 HA PRO 31 13.699 5.157 -4.377 204 HB2 PRO 31 1HB PRO 31 13.111 5.821 -1.811 205 HB3 PRO 31 2HB PRO 31 11.875 5.613 -3.057 206 HG2 PRO 31 1HG PRO 31 12.766 3.699 -0.936 207 HG3 PRO 31 2HG PRO 31 11.122 4.080 -1.480 208 HD2 PRO 31 1HD PRO 31 12.446 1.861 -2.289 209 HD3 PRO 31 2HD PRO 31 11.278 2.707 -3.325 210 H ARG 32 H ARG 32 15.310 6.555 -3.498 211 HA ARG 32 HA ARG 32 17.593 5.104 -2.438 212 HB2 ARG 32 1HB ARG 32 17.193 7.835 -3.620 213 HB3 ARG 32 2HB ARG 32 18.663 7.456 -2.732 214 HG2 ARG 32 1HG ARG 32 19.245 7.040 -4.932 215 HG3 ARG 32 2HG ARG 32 18.844 5.436 -4.315 216 HD2 ARG 32 1HD ARG 32 17.700 5.442 -6.309 217 HD3 ARG 32 2HD ARG 32 16.455 6.016 -5.201 218 HE ARG 32 HE ARG 32 16.438 7.992 -6.336 219 HH11 ARG 32 2HH1 ARG 32 19.445 6.363 -6.988 220 HH12 ARG 32 1HH1 ARG 32 19.973 7.527 -8.158 221 HH21 ARG 32 2HH2 ARG 32 17.121 9.531 -7.875 222 HH22 ARG 32 1HH2 ARG 32 18.651 9.329 -8.661 223 H ALA 33 H ALA 33 17.989 4.981 -0.338 224 HA ALA 33 HA ALA 33 16.641 6.769 1.513 225 HB1 ALA 33 1HB ALA 33 16.969 4.189 1.730 226 HB2 ALA 33 2HB ALA 33 18.542 4.641 2.389 227 HB3 ALA 33 3HB ALA 33 17.064 5.217 3.160 228 HA PRO 34 HA PRO 34 20.058 9.468 2.153 229 HB2 PRO 34 1HB PRO 34 19.474 10.334 4.659 230 HB3 PRO 34 2HB PRO 34 18.573 10.852 3.229 231 HG2 PRO 34 1HG PRO 34 17.879 8.753 5.248 232 HG3 PRO 34 2HG PRO 34 16.837 9.984 4.511 233 HD2 PRO 34 1HD PRO 34 16.861 7.407 3.680 234 HD3 PRO 34 2HD PRO 34 16.551 8.763 2.577 235 H SER 35 H SER 35 19.696 6.545 3.700 236 HA SER 35 HA SER 35 22.438 6.488 4.527 237 HB2 SER 35 1HB SER 35 20.250 6.499 6.606 238 HB3 SER 35 2HB SER 35 21.843 5.810 6.916 239 HG SER 35 HG SER 35 21.663 8.020 7.562 240 H GLY 36 H GLY 36 23.167 4.366 5.068 241 HA2 GLY 36 1HA GLY 36 23.234 2.141 4.391 242 HA3 GLY 36 2HA GLY 36 21.893 2.060 5.523 243 H ALA 37 H ALA 37 20.130 1.133 4.747 244 HA ALA 37 HA ALA 37 19.112 1.778 2.137 245 HB1 ALA 37 1HB ALA 37 20.768 0.094 1.531 246 HB2 ALA 37 2HB ALA 37 20.038 -1.044 2.664 247 HB3 ALA 37 3HB ALA 37 19.130 -0.500 1.253 248 H VAL 38 H VAL 38 17.004 0.785 1.731 249 HA VAL 38 HA VAL 38 15.326 0.880 3.971 250 HB VAL 38 HB VAL 38 14.721 -0.438 1.321 251 HG11 VAL 38 1HG1 VAL 38 12.945 -1.040 2.640 252 HG12 VAL 38 2HG1 VAL 38 13.071 0.396 3.657 253 HG13 VAL 38 3HG1 VAL 38 12.382 0.519 2.038 254 HG21 VAL 38 1HG2 VAL 38 13.662 1.834 0.847 255 HG22 VAL 38 2HG2 VAL 38 14.632 2.437 2.191 256 HG23 VAL 38 3HG2 VAL 38 15.422 1.738 0.778 257 H LEU 39 H LEU 39 14.018 -0.787 4.916 258 HA LEU 39 HA LEU 39 15.336 -3.423 4.891 259 HB2 LEU 39 1HB LEU 39 13.784 -2.142 7.136 260 HB3 LEU 39 2HB LEU 39 14.599 -3.704 7.189 261 HG LEU 39 HG LEU 39 16.035 -1.081 6.805 262 HD11 LEU 39 1HD1 LEU 39 16.486 -2.324 9.349 263 HD12 LEU 39 2HD1 LEU 39 14.767 -2.000 9.130 264 HD13 LEU 39 3HD1 LEU 39 15.937 -0.688 8.984 265 HD21 LEU 39 1HD2 LEU 39 16.932 -3.524 6.193 266 HD22 LEU 39 2HD2 LEU 39 17.328 -3.500 7.912 267 HD23 LEU 39 3HD2 LEU 39 17.971 -2.255 6.840 268 H ASP 40 H ASP 40 12.188 -2.124 5.952 269 HA ASP 40 HA ASP 40 10.874 -4.162 4.287 270 HB2 ASP 40 1HB ASP 40 9.348 -4.737 6.029 271 HB3 ASP 40 2HB ASP 40 10.963 -4.815 6.727 272 H TYR 41 H TYR 41 8.306 -3.625 4.569 273 HA TYR 41 HA TYR 41 7.863 -0.752 4.368 274 HB2 TYR 41 1HB TYR 41 7.036 -2.593 2.119 275 HB3 TYR 41 2HB TYR 41 6.883 -0.840 2.177 276 HD1 TYR 41 1HD TYR 41 9.435 -3.555 2.199 277 HD2 TYR 41 2HD TYR 41 8.555 0.502 1.266 278 HE1 TYR 41 1HE TYR 41 11.631 -3.335 1.113 279 HE2 TYR 41 2HE TYR 41 10.748 0.732 0.176 280 HH TYR 41 HH TYR 41 13.094 -1.922 0.188 281 H GLU 42 H GLU 42 5.571 -0.191 4.293 282 HA GLU 42 HA GLU 42 3.803 -2.334 5.255 283 HB2 GLU 42 1HB GLU 42 4.798 -0.634 7.018 284 HB3 GLU 42 2HB GLU 42 3.531 0.413 6.395 285 HG2 GLU 42 1HG GLU 42 3.032 -2.356 7.451 286 HG3 GLU 42 2HG GLU 42 2.927 -0.896 8.433 287 H VAL 43 H VAL 43 1.750 -2.298 4.487 288 HA VAL 43 HA VAL 43 1.036 -0.060 2.704 289 HB VAL 43 HB VAL 43 0.334 -2.984 2.416 290 HG11 VAL 43 1HG1 VAL 43 -1.540 -2.146 1.484 291 HG12 VAL 43 2HG1 VAL 43 -0.834 -0.546 1.244 292 HG13 VAL 43 3HG1 VAL 43 -0.478 -1.849 0.109 293 HG21 VAL 43 1HG2 VAL 43 2.653 -1.887 1.724 294 HG22 VAL 43 2HG2 VAL 43 1.874 -3.129 0.744 295 HG23 VAL 43 3HG2 VAL 43 1.717 -1.430 0.301 296 H LYS 44 H LYS 44 -0.456 1.145 3.677 297 HA LYS 44 HA LYS 44 -2.497 -0.167 5.332 298 HB2 LYS 44 1HB LYS 44 -1.030 1.773 6.193 299 HB3 LYS 44 2HB LYS 44 -2.029 2.801 5.174 300 HG2 LYS 44 1HG LYS 44 -3.972 2.317 6.415 301 HG3 LYS 44 2HG LYS 44 -3.195 0.968 7.247 302 HD2 LYS 44 1HD LYS 44 -3.035 2.555 8.880 303 HD3 LYS 44 2HD LYS 44 -1.532 2.884 8.015 304 HE2 LYS 44 1HE LYS 44 -2.405 5.000 8.189 305 HE3 LYS 44 2HE LYS 44 -3.047 4.505 6.623 306 HZ1 LYS 44 1HZ LYS 44 -4.768 3.748 8.769 307 HZ2 LYS 44 2HZ LYS 44 -5.115 4.650 7.381 308 HZ3 LYS 44 3HZ LYS 44 -4.496 5.418 8.755 309 H TYR 45 H TYR 45 -4.291 -0.652 4.254 310 HA TYR 45 HA TYR 45 -5.350 1.332 2.349 311 HB2 TYR 45 1HB TYR 45 -6.274 -0.506 1.027 312 HB3 TYR 45 2HB TYR 45 -4.528 -0.667 1.175 313 HD1 TYR 45 2HD TYR 45 -3.662 -2.252 3.026 314 HD2 TYR 45 1HD TYR 45 -7.659 -2.298 1.569 315 HE1 TYR 45 2HE TYR 45 -3.942 -4.541 3.882 316 HE2 TYR 45 1HE TYR 45 -7.951 -4.586 2.422 317 HH TYR 45 HH TYR 45 -6.993 -6.069 4.079 318 H HIS 46 H HIS 46 -7.200 2.188 2.996 319 HA HIS 46 HA HIS 46 -9.133 0.514 4.428 320 HB2 HIS 46 1HB HIS 46 -9.468 2.046 6.170 321 HB3 HIS 46 2HB HIS 46 -7.717 2.003 5.987 322 HD1 HIS 46 1HD HIS 46 -6.859 4.022 4.216 323 HD2 HIS 46 2HD HIS 46 -10.395 4.571 6.328 324 HE1 HIS 46 1HE HIS 46 -7.281 6.501 4.189 325 HE2 HIS 46 2HE HIS 46 -9.380 6.817 5.546 326 H GLU 47 H GLU 47 -11.184 0.774 3.761 327 HA GLU 47 HA GLU 47 -11.939 1.856 1.418 328 HB2 GLU 47 1HB GLU 47 -13.303 0.577 3.281 329 HB3 GLU 47 2HB GLU 47 -13.853 2.196 3.687 330 HG2 GLU 47 1HG GLU 47 -14.982 2.462 1.703 331 HG3 GLU 47 2HG GLU 47 -13.994 1.271 0.859 332 H LYS 48 H LYS 48 -13.066 3.777 0.758 333 HA LYS 48 HA LYS 48 -11.962 6.158 2.016 334 HB2 LYS 48 1HB LYS 48 -11.949 5.684 -0.504 335 HB3 LYS 48 2HB LYS 48 -13.663 6.078 -0.469 336 HG2 LYS 48 1HG LYS 48 -13.199 8.306 0.277 337 HG3 LYS 48 2HG LYS 48 -11.485 7.931 0.471 338 HD2 LYS 48 1HD LYS 48 -11.101 7.897 -1.809 339 HD3 LYS 48 2HD LYS 48 -12.791 7.562 -2.192 340 HE2 LYS 48 1HE LYS 48 -13.329 9.869 -1.356 341 HE3 LYS 48 2HE LYS 48 -11.594 10.166 -1.261 342 HZ1 LYS 48 1HZ LYS 48 -13.249 9.697 -3.662 343 HZ2 LYS 48 2HZ LYS 48 -11.573 9.473 -3.698 344 HZ3 LYS 48 3HZ LYS 48 -12.216 10.994 -3.328 345 H GLY 49 H GLY 49 -13.733 5.148 3.737 346 HA2 GLY 49 1HA GLY 49 -15.499 7.212 4.264 347 HA3 GLY 49 2HA GLY 49 -16.415 6.021 3.354 348 H ALA 50 H ALA 50 -13.918 5.718 5.875 349 HA ALA 50 HA ALA 50 -15.893 4.466 7.635 350 HB1 ALA 50 1HB ALA 50 -13.242 3.160 7.052 351 HB2 ALA 50 2HB ALA 50 -14.552 2.533 8.053 352 HB3 ALA 50 3HB ALA 50 -14.766 2.677 6.308 353 H GLU 51 H GLU 51 -14.903 4.038 9.847 354 HA GLU 51 HA GLU 51 -12.759 5.917 10.509 355 HB2 GLU 51 1HB GLU 51 -15.021 7.019 10.801 356 HB3 GLU 51 2HB GLU 51 -15.341 5.844 12.069 357 HG2 GLU 51 1HG GLU 51 -13.709 6.728 13.472 358 HG3 GLU 51 2HG GLU 51 -12.905 7.580 12.154 359 H GLY 52 H GLY 52 -11.650 5.450 12.443 360 HA2 GLY 52 1HA GLY 52 -11.504 4.142 14.502 361 HA3 GLY 52 2HA GLY 52 -12.317 2.838 13.649 362 HA PRO 53 HA PRO 53 -7.516 2.794 13.251 363 HB2 PRO 53 1HB PRO 53 -6.818 1.351 15.441 364 HB3 PRO 53 2HB PRO 53 -6.879 3.117 15.435 365 HG2 PRO 53 1HG PRO 53 -8.899 1.156 16.451 366 HG3 PRO 53 2HG PRO 53 -8.338 2.668 17.188 367 HD2 PRO 53 1HD PRO 53 -10.679 2.486 15.839 368 HD3 PRO 53 2HD PRO 53 -9.702 3.968 15.861 369 H SER 54 H SER 54 -9.808 0.397 14.467 370 HA SER 54 HA SER 54 -8.370 -1.862 13.476 371 HB2 SER 54 1HB SER 54 -11.076 -1.403 14.657 372 HB3 SER 54 2HB SER 54 -10.785 -2.908 13.785 373 HG SER 54 HG SER 54 -8.870 -3.097 15.189 374 H SER 55 H SER 55 -11.041 0.110 12.278 375 HA SER 55 HA SER 55 -11.959 -1.334 10.157 376 HB2 SER 55 1HB SER 55 -11.473 1.632 10.412 377 HB3 SER 55 2HB SER 55 -12.252 0.931 8.993 378 HG SER 55 HG SER 55 -14.015 0.887 10.113 379 H VAL 56 H VAL 56 -9.034 0.665 10.237 380 HA VAL 56 HA VAL 56 -8.341 0.052 7.511 381 HB VAL 56 HB VAL 56 -7.668 2.191 8.448 382 HG11 VAL 56 1HG1 VAL 56 -6.272 0.476 10.470 383 HG12 VAL 56 2HG1 VAL 56 -5.722 2.119 10.134 384 HG13 VAL 56 3HG1 VAL 56 -7.359 1.840 10.729 385 HG21 VAL 56 1HG2 VAL 56 -5.906 2.173 7.094 386 HG22 VAL 56 2HG2 VAL 56 -4.975 1.214 8.245 387 HG23 VAL 56 3HG2 VAL 56 -6.003 0.412 7.058 388 H ARG 57 H ARG 57 -6.770 -1.335 6.773 389 HA ARG 57 HA ARG 57 -5.879 -3.362 8.702 390 HB2 ARG 57 1HB ARG 57 -6.436 -3.411 5.758 391 HB3 ARG 57 2HB ARG 57 -5.346 -4.601 6.458 392 HG2 ARG 57 1HG ARG 57 -8.023 -4.192 7.695 393 HG3 ARG 57 2HG ARG 57 -7.896 -5.107 6.192 394 HD2 ARG 57 1HD ARG 57 -6.199 -6.555 7.285 395 HD3 ARG 57 2HD ARG 57 -6.490 -5.691 8.794 396 HE ARG 57 HE ARG 57 -8.942 -6.631 7.845 397 HH11 ARG 57 2HH1 ARG 57 -5.934 -7.880 9.075 398 HH12 ARG 57 1HH1 ARG 57 -6.650 -9.312 9.740 399 HH21 ARG 57 2HH2 ARG 57 -9.896 -8.511 8.716 400 HH22 ARG 57 1HH2 ARG 57 -8.904 -9.670 9.534 401 H PHE 58 H PHE 58 -3.723 -4.343 8.278 402 HA PHE 58 HA PHE 58 -1.807 -2.442 7.124 403 HB2 PHE 58 1HB PHE 58 -1.921 -3.454 9.920 404 HB3 PHE 58 2HB PHE 58 -0.332 -3.308 9.177 405 HD1 PHE 58 2HD PHE 58 -3.461 -1.342 9.665 406 HD2 PHE 58 1HD PHE 58 0.783 -1.305 9.340 407 HE1 PHE 58 2HE PHE 58 -3.446 1.063 10.183 408 HE2 PHE 58 1HE PHE 58 0.804 1.101 9.858 409 HZ PHE 58 HZ PHE 58 -1.312 2.288 10.279 410 H LEU 59 H LEU 59 -0.088 -3.344 6.081 411 HA LEU 59 HA LEU 59 0.165 -6.274 6.172 412 HB2 LEU 59 1HB LEU 59 -0.980 -5.878 4.156 413 HB3 LEU 59 2HB LEU 59 0.013 -4.473 3.776 414 HG LEU 59 HG LEU 59 1.937 -6.259 3.664 415 HD11 LEU 59 1HD1 LEU 59 0.150 -8.008 4.418 416 HD12 LEU 59 2HD1 LEU 59 1.354 -8.432 3.202 417 HD13 LEU 59 3HD1 LEU 59 -0.283 -8.005 2.708 418 HD21 LEU 59 1HD2 LEU 59 1.868 -5.636 1.537 419 HD22 LEU 59 2HD2 LEU 59 0.248 -4.991 1.799 420 HD23 LEU 59 3HD2 LEU 59 0.458 -6.655 1.251 421 H LYS 60 H LYS 60 2.130 -6.845 6.794 422 HA LYS 60 HA LYS 60 4.344 -4.956 6.458 423 HB2 LYS 60 1HB LYS 60 3.894 -7.321 8.260 424 HB3 LYS 60 2HB LYS 60 5.504 -6.656 8.020 425 HG2 LYS 60 1HG LYS 60 5.030 -4.728 9.152 426 HG3 LYS 60 2HG LYS 60 3.305 -4.806 8.783 427 HD2 LYS 60 1HD LYS 60 2.920 -6.438 10.435 428 HD3 LYS 60 2HD LYS 60 4.640 -6.800 10.593 429 HE2 LYS 60 1HE LYS 60 4.081 -5.523 12.493 430 HE3 LYS 60 2HE LYS 60 4.922 -4.417 11.408 431 HZ1 LYS 60 1HZ LYS 60 3.087 -3.185 11.103 432 HZ2 LYS 60 2HZ LYS 60 2.585 -3.871 12.565 433 HZ3 LYS 60 3HZ LYS 60 2.042 -4.515 11.098 434 H THR 61 H THR 61 5.722 -5.234 4.846 435 HA THR 61 HA THR 61 6.304 -7.966 3.926 436 HB THR 61 HB THR 61 4.708 -6.800 2.363 437 HG1 THR 61 1HG THR 61 7.207 -7.850 1.680 438 HG21 THR 61 1HG2 THR 61 6.977 -5.193 1.314 439 HG22 THR 61 2HG2 THR 61 6.131 -4.582 2.736 440 HG23 THR 61 3HG2 THR 61 5.243 -4.883 1.242 441 H SER 62 H SER 62 8.400 -8.353 3.288 442 HA SER 62 HA SER 62 10.329 -6.288 4.040 443 HB2 SER 62 1HB SER 62 11.941 -8.045 4.245 444 HB3 SER 62 2HB SER 62 10.454 -8.634 4.988 445 HG SER 62 HG SER 62 10.053 -9.576 2.804 446 H GLU 63 H GLU 63 8.754 -6.654 1.400 447 HA GLU 63 HA GLU 63 11.093 -6.274 -0.344 448 HB2 GLU 63 1HB GLU 63 8.541 -7.557 -1.300 449 HB3 GLU 63 2HB GLU 63 10.102 -7.504 -2.108 450 HG2 GLU 63 1HG GLU 63 9.789 -8.908 0.512 451 HG3 GLU 63 2HG GLU 63 9.336 -9.696 -0.998 452 H ASN 64 H ASN 64 10.149 -5.366 -2.582 453 HA ASN 64 HA ASN 64 8.702 -2.936 -1.826 454 HB2 ASN 64 1HB ASN 64 9.532 -2.024 -3.964 455 HB3 ASN 64 2HB ASN 64 10.846 -2.610 -2.949 456 HD21 ASN 64 1HD2 ASN 64 10.665 -2.215 -5.859 457 HD22 ASN 64 2HD2 ASN 64 11.074 -3.741 -6.559 458 H ARG 65 H ARG 65 7.373 -5.526 -2.234 459 HA ARG 65 HA ARG 65 5.301 -4.592 -4.022 460 HB2 ARG 65 1HB ARG 65 5.273 -6.742 -5.309 461 HB3 ARG 65 2HB ARG 65 6.662 -5.714 -5.640 462 HG2 ARG 65 1HG ARG 65 7.777 -7.192 -3.768 463 HG3 ARG 65 2HG ARG 65 6.527 -8.338 -4.256 464 HD2 ARG 65 1HD ARG 65 8.235 -8.925 -5.675 465 HD3 ARG 65 2HD ARG 65 7.361 -7.759 -6.667 466 HE ARG 65 HE ARG 65 9.391 -6.490 -5.140 467 HH11 ARG 65 2HH1 ARG 65 8.870 -8.465 -7.959 468 HH12 ARG 65 1HH1 ARG 65 10.291 -7.903 -8.776 469 HH21 ARG 65 2HH2 ARG 65 11.264 -5.742 -6.206 470 HH22 ARG 65 1HH2 ARG 65 11.652 -6.354 -7.777 471 H ALA 66 H ALA 66 3.301 -5.517 -3.615 472 HA ALA 66 HA ALA 66 3.141 -7.682 -1.660 473 HB1 ALA 66 1HB ALA 66 2.984 -6.008 -0.096 474 HB2 ALA 66 2HB ALA 66 2.204 -4.887 -1.213 475 HB3 ALA 66 3HB ALA 66 1.286 -6.226 -0.523 476 H GLU 67 H GLU 67 1.059 -8.697 -1.563 477 HA GLU 67 HA GLU 67 -0.645 -8.111 -3.895 478 HB2 GLU 67 1HB GLU 67 0.620 -10.157 -4.285 479 HB3 GLU 67 2HB GLU 67 0.075 -10.813 -2.748 480 HG2 GLU 67 1HG GLU 67 -2.107 -11.115 -3.513 481 HG3 GLU 67 2HG GLU 67 -1.871 -10.035 -4.886 482 H LEU 68 H LEU 68 -2.282 -7.031 -2.910 483 HA LEU 68 HA LEU 68 -3.378 -7.846 -0.391 484 HB2 LEU 68 1HB LEU 68 -4.693 -6.001 -2.359 485 HB3 LEU 68 2HB LEU 68 -4.859 -6.029 -0.605 486 HG LEU 68 HG LEU 68 -2.236 -5.346 -1.887 487 HD11 LEU 68 1HD1 LEU 68 -3.047 -2.925 -1.470 488 HD12 LEU 68 2HD1 LEU 68 -4.662 -3.621 -1.604 489 HD13 LEU 68 3HD1 LEU 68 -3.531 -3.752 -2.951 490 HD21 LEU 68 1HD2 LEU 68 -3.257 -5.541 0.767 491 HD22 LEU 68 2HD2 LEU 68 -2.833 -3.860 0.442 492 HD23 LEU 68 3HD2 LEU 68 -1.627 -5.130 0.234 493 H ARG 69 H ARG 69 -5.439 -8.709 0.008 494 HA ARG 69 HA ARG 69 -6.841 -9.869 -2.295 495 HB2 ARG 69 1HB ARG 69 -6.120 -11.375 0.227 496 HB3 ARG 69 2HB ARG 69 -7.113 -11.994 -1.086 497 HG2 ARG 69 1HG ARG 69 -5.319 -12.229 -2.513 498 HG3 ARG 69 2HG ARG 69 -4.343 -11.039 -1.649 499 HD2 ARG 69 1HD ARG 69 -3.355 -13.059 -1.065 500 HD3 ARG 69 2HD ARG 69 -4.416 -12.720 0.302 501 HE ARG 69 HE ARG 69 -5.859 -14.262 -1.506 502 HH11 ARG 69 2HH1 ARG 69 -3.038 -14.568 0.511 503 HH12 ARG 69 1HH1 ARG 69 -3.221 -16.276 0.733 504 HH21 ARG 69 2HH2 ARG 69 -6.111 -16.511 -1.222 505 HH22 ARG 69 1HH2 ARG 69 -4.969 -17.381 -0.254 506 H GLY 70 H GLY 70 -9.036 -10.704 -1.669 507 HA2 GLY 70 1HA GLY 70 -11.137 -10.184 -0.895 508 HA3 GLY 70 2HA GLY 70 -10.363 -10.146 0.683 509 H LEU 71 H LEU 71 -11.169 -8.191 -2.144 510 HA LEU 71 HA LEU 71 -11.370 -5.860 -0.374 511 HB2 LEU 71 1HB LEU 71 -10.090 -5.833 -3.104 512 HB3 LEU 71 2HB LEU 71 -10.359 -4.430 -2.071 513 HG LEU 71 HG LEU 71 -8.665 -6.693 -1.094 514 HD11 LEU 71 1HD1 LEU 71 -7.859 -4.557 -3.049 515 HD12 LEU 71 2HD1 LEU 71 -7.658 -6.303 -3.193 516 HD13 LEU 71 3HD1 LEU 71 -6.704 -5.399 -2.017 517 HD21 LEU 71 1HD2 LEU 71 -7.533 -4.384 -0.273 518 HD22 LEU 71 2HD2 LEU 71 -8.771 -5.253 0.634 519 HD23 LEU 71 3HD2 LEU 71 -9.222 -3.890 -0.391 520 H LYS 72 H LYS 72 -12.713 -4.128 -1.265 521 HA LYS 72 HA LYS 72 -15.001 -5.237 -2.662 522 HB2 LYS 72 1HB LYS 72 -14.455 -2.765 -1.085 523 HB3 LYS 72 2HB LYS 72 -15.775 -2.732 -2.246 524 HG2 LYS 72 1HG LYS 72 -15.623 -4.988 -0.312 525 HG3 LYS 72 2HG LYS 72 -16.185 -3.411 0.248 526 HD2 LYS 72 1HD LYS 72 -18.130 -4.569 -0.396 527 HD3 LYS 72 2HD LYS 72 -17.791 -3.460 -1.727 528 HE2 LYS 72 1HE LYS 72 -17.108 -5.154 -3.136 529 HE3 LYS 72 2HE LYS 72 -16.687 -6.233 -1.807 530 HZ1 LYS 72 1HZ LYS 72 -19.497 -5.475 -2.172 531 HZ2 LYS 72 2HZ LYS 72 -18.841 -6.902 -1.545 532 HZ3 LYS 72 3HZ LYS 72 -18.829 -6.628 -3.214 533 H ARG 73 H ARG 73 -14.350 -5.481 -4.787 534 HA ARG 73 HA ARG 73 -12.893 -3.767 -6.361 535 HB2 ARG 73 1HB ARG 73 -14.179 -4.722 -8.295 536 HB3 ARG 73 2HB ARG 73 -13.496 -5.920 -7.204 537 HG2 ARG 73 1HG ARG 73 -15.696 -6.161 -6.127 538 HG3 ARG 73 2HG ARG 73 -16.364 -5.011 -7.287 539 HD2 ARG 73 1HD ARG 73 -15.043 -7.625 -8.003 540 HD3 ARG 73 2HD ARG 73 -16.784 -7.367 -7.906 541 HE ARG 73 HE ARG 73 -15.528 -5.513 -9.669 542 HH11 ARG 73 2HH1 ARG 73 -16.693 -8.783 -9.410 543 HH12 ARG 73 1HH1 ARG 73 -16.978 -8.955 -11.111 544 HH21 ARG 73 2HH2 ARG 73 -15.899 -5.727 -11.910 545 HH22 ARG 73 1HH2 ARG 73 -16.525 -7.216 -12.532 546 H GLY 74 H GLY 74 -13.258 -1.926 -7.508 547 HA2 GLY 74 1HA GLY 74 -14.520 -0.209 -8.488 548 HA3 GLY 74 2HA GLY 74 -15.960 -0.855 -7.714 549 H ALA 75 H ALA 75 -15.512 -0.841 -5.120 550 HA ALA 75 HA ALA 75 -15.830 1.793 -4.321 551 HB1 ALA 75 1HB ALA 75 -15.700 1.016 -2.074 552 HB2 ALA 75 2HB ALA 75 -16.468 -0.254 -3.027 553 HB3 ALA 75 3HB ALA 75 -14.775 -0.407 -2.556 554 H SER 76 H SER 76 -14.452 3.430 -4.248 555 HA SER 76 HA SER 76 -11.770 3.357 -4.831 556 HB2 SER 76 1HB SER 76 -13.426 5.372 -4.515 557 HB3 SER 76 2HB SER 76 -12.763 5.406 -2.881 558 HG SER 76 HG SER 76 -11.336 6.625 -3.893 559 H TYR 77 H TYR 77 -9.880 3.154 -3.714 560 HA TYR 77 HA TYR 77 -10.021 2.690 -0.821 561 HB2 TYR 77 1HB TYR 77 -9.125 0.774 -2.913 562 HB3 TYR 77 2HB TYR 77 -8.187 0.840 -1.425 563 HD1 TYR 77 1HD TYR 77 -9.551 0.651 0.790 564 HD2 TYR 77 2HD TYR 77 -11.013 -0.573 -3.013 565 HE1 TYR 77 1HE TYR 77 -11.197 -0.803 1.897 566 HE2 TYR 77 2HE TYR 77 -12.664 -2.029 -1.917 567 HH TYR 77 HH TYR 77 -13.333 -1.859 1.425 568 H LEU 78 H LEU 78 -8.642 4.007 0.148 569 HA LEU 78 HA LEU 78 -6.457 5.199 -1.345 570 HB2 LEU 78 1HB LEU 78 -7.630 5.678 1.377 571 HB3 LEU 78 2HB LEU 78 -6.129 6.446 0.861 572 HG LEU 78 HG LEU 78 -8.719 6.754 -0.643 573 HD11 LEU 78 1HD1 LEU 78 -7.606 8.732 1.325 574 HD12 LEU 78 2HD1 LEU 78 -8.826 7.538 1.766 575 HD13 LEU 78 3HD1 LEU 78 -9.178 8.742 0.526 576 HD21 LEU 78 1HD2 LEU 78 -6.395 7.234 -1.657 577 HD22 LEU 78 2HD2 LEU 78 -6.393 8.641 -0.593 578 HD23 LEU 78 3HD2 LEU 78 -7.657 8.456 -1.811 579 H VAL 79 H VAL 79 -4.765 3.844 -1.562 580 HA VAL 79 HA VAL 79 -3.823 2.360 0.785 581 HB VAL 79 HB VAL 79 -2.953 2.111 -2.098 582 HG11 VAL 79 1HG1 VAL 79 -2.256 0.572 0.389 583 HG12 VAL 79 2HG1 VAL 79 -2.024 -0.086 -1.232 584 HG13 VAL 79 3HG1 VAL 79 -1.169 1.377 -0.742 585 HG21 VAL 79 1HG2 VAL 79 -4.182 -0.216 -1.543 586 HG22 VAL 79 2HG2 VAL 79 -5.137 0.877 -0.541 587 HG23 VAL 79 3HG2 VAL 79 -4.999 1.164 -2.276 588 H GLN 80 H GLN 80 -1.816 2.651 1.662 589 HA GLN 80 HA GLN 80 -0.097 4.716 0.473 590 HB2 GLN 80 1HB GLN 80 -1.011 4.528 3.341 591 HB3 GLN 80 2HB GLN 80 0.391 5.470 2.851 592 HG2 GLN 80 1HG GLN 80 -1.501 6.921 3.052 593 HG3 GLN 80 2HG GLN 80 -1.058 6.786 1.351 594 HE21 GLN 80 1HE2 GLN 80 -2.744 6.678 0.073 595 HE22 GLN 80 2HE2 GLN 80 -4.252 5.911 0.425 596 H VAL 81 H VAL 81 1.869 3.946 0.123 597 HA VAL 81 HA VAL 81 2.788 1.638 1.693 598 HB VAL 81 HB VAL 81 3.814 2.666 -0.957 599 HG11 VAL 81 1HG1 VAL 81 5.470 1.152 -0.878 600 HG12 VAL 81 2HG1 VAL 81 5.203 1.203 0.866 601 HG13 VAL 81 3HG1 VAL 81 4.455 -0.066 -0.105 602 HG21 VAL 81 1HG2 VAL 81 1.577 0.992 -0.284 603 HG22 VAL 81 2HG2 VAL 81 2.093 1.587 -1.862 604 HG23 VAL 81 3HG2 VAL 81 2.762 0.085 -1.224 605 H ARG 82 H ARG 82 4.310 1.931 3.173 606 HA ARG 82 HA ARG 82 6.066 4.287 2.937 607 HB2 ARG 82 1HB ARG 82 5.994 4.626 5.248 608 HB3 ARG 82 2HB ARG 82 4.333 4.216 4.841 609 HG2 ARG 82 1HG ARG 82 4.585 2.008 5.688 610 HG3 ARG 82 2HG ARG 82 6.328 2.215 5.868 611 HD2 ARG 82 1HD ARG 82 6.080 3.683 7.677 612 HD3 ARG 82 2HD ARG 82 4.381 3.981 7.313 613 HE ARG 82 HE ARG 82 4.629 1.277 7.886 614 HH11 ARG 82 2HH1 ARG 82 5.073 4.324 9.512 615 HH12 ARG 82 1HH1 ARG 82 4.688 3.692 11.079 616 HH21 ARG 82 2HH2 ARG 82 4.121 0.434 9.944 617 HH22 ARG 82 1HH2 ARG 82 4.148 1.479 11.324 618 H ALA 83 H ALA 83 8.227 4.062 3.723 619 HA ALA 83 HA ALA 83 9.186 1.279 3.620 620 HB1 ALA 83 1HB ALA 83 11.357 2.260 2.916 621 HB2 ALA 83 2HB ALA 83 10.038 2.577 1.789 622 HB3 ALA 83 3HB ALA 83 10.585 3.845 2.884 623 H ARG 84 H ARG 84 10.749 0.572 5.088 624 HA ARG 84 HA ARG 84 11.087 2.289 7.460 625 HB2 ARG 84 1HB ARG 84 9.664 0.466 8.061 626 HB3 ARG 84 2HB ARG 84 10.713 -0.697 7.261 627 HG2 ARG 84 1HG ARG 84 11.302 -1.048 9.432 628 HG3 ARG 84 2HG ARG 84 12.475 0.196 8.996 629 HD2 ARG 84 1HD ARG 84 11.435 1.808 10.240 630 HD3 ARG 84 2HD ARG 84 9.844 1.069 10.062 631 HE ARG 84 HE ARG 84 10.242 -0.178 11.949 632 HH11 ARG 84 2HH1 ARG 84 13.213 1.280 10.869 633 HH12 ARG 84 1HH1 ARG 84 14.099 0.838 12.290 634 HH21 ARG 84 2HH2 ARG 84 11.397 -0.765 13.825 635 HH22 ARG 84 1HH2 ARG 84 13.065 -0.326 13.971 636 H SER 85 H SER 85 13.106 2.712 8.100 637 HA SER 85 HA SER 85 15.289 1.083 6.976 638 HB2 SER 85 1HB SER 85 14.911 3.524 6.087 639 HB3 SER 85 2HB SER 85 15.684 3.988 7.602 640 HG SER 85 HG SER 85 17.377 3.735 6.302 641 H GLU 86 H GLU 86 17.424 1.686 8.241 642 HA GLU 86 HA GLU 86 17.193 0.645 10.808 643 HB2 GLU 86 1HB GLU 86 19.335 2.053 9.298 644 HB3 GLU 86 2HB GLU 86 19.535 1.907 11.039 645 HG2 GLU 86 1HG GLU 86 19.085 -0.580 10.711 646 HG3 GLU 86 2HG GLU 86 19.337 -0.273 8.994 647 H ALA 87 H ALA 87 17.074 3.960 9.694 648 HA ALA 87 HA ALA 87 17.390 5.227 12.199 649 HB1 ALA 87 1HB ALA 87 16.376 6.042 9.527 650 HB2 ALA 87 2HB ALA 87 16.007 7.072 10.911 651 HB3 ALA 87 3HB ALA 87 17.684 6.718 10.497 652 H GLY 88 H GLY 88 14.418 4.653 10.296 653 HA2 GLY 88 1HA GLY 88 12.843 3.648 12.325 654 HA3 GLY 88 2HA GLY 88 12.699 5.395 12.449 655 H TYR 89 H TYR 89 10.397 4.363 12.022 656 HA TYR 89 HA TYR 89 9.708 3.639 9.387 657 HB2 TYR 89 1HB TYR 89 8.223 4.483 11.822 658 HB3 TYR 89 2HB TYR 89 7.374 4.587 10.284 659 HD1 TYR 89 2HD TYR 89 7.333 2.459 8.827 660 HD2 TYR 89 1HD TYR 89 8.341 2.451 12.961 661 HE1 TYR 89 2HE TYR 89 6.826 0.055 8.941 662 HE2 TYR 89 1HE TYR 89 7.837 0.047 13.086 663 HH TYR 89 HH TYR 89 6.448 -1.610 11.838 664 H GLY 90 H GLY 90 9.534 4.820 7.602 665 HA2 GLY 90 1HA GLY 90 9.845 7.700 7.758 666 HA3 GLY 90 2HA GLY 90 9.829 6.727 6.294 667 HA PRO 91 HA PRO 91 5.734 9.016 7.022 668 HB2 PRO 91 1HB PRO 91 5.990 10.867 5.052 669 HB3 PRO 91 2HB PRO 91 6.538 11.146 6.709 670 HG2 PRO 91 1HG PRO 91 8.122 10.335 4.301 671 HG3 PRO 91 2HG PRO 91 8.523 11.521 5.557 672 HD2 PRO 91 1HD PRO 91 9.553 9.017 5.536 673 HD3 PRO 91 2HD PRO 91 9.225 9.901 7.039 674 H PHE 92 H PHE 92 3.974 8.343 5.929 675 HA PHE 92 HA PHE 92 4.126 6.438 3.911 676 HB2 PHE 92 1HB PHE 92 1.919 8.148 4.987 677 HB3 PHE 92 2HB PHE 92 1.629 7.184 3.543 678 HD1 PHE 92 1HD PHE 92 2.038 4.685 3.674 679 HD2 PHE 92 2HD PHE 92 1.809 7.189 7.108 680 HE1 PHE 92 1HE PHE 92 1.590 2.714 5.078 681 HE2 PHE 92 2HE PHE 92 1.361 5.223 8.517 682 HZ PHE 92 HZ PHE 92 1.252 2.981 7.502 683 H GLY 93 H GLY 93 4.460 6.545 1.788 684 HA2 GLY 93 1HA GLY 93 5.197 8.836 0.429 685 HA3 GLY 93 2HA GLY 93 4.623 7.369 -0.350 686 H GLN 94 H GLN 94 4.047 9.548 -1.684 687 HA GLN 94 HA GLN 94 1.789 11.026 -0.986 688 HB2 GLN 94 1HB GLN 94 3.158 10.360 -3.545 689 HB3 GLN 94 2HB GLN 94 1.545 11.056 -3.636 690 HG2 GLN 94 1HG GLN 94 3.895 12.281 -2.208 691 HG3 GLN 94 2HG GLN 94 3.303 12.748 -3.802 692 HE21 GLN 94 1HE2 GLN 94 3.548 14.380 -1.440 693 HE22 GLN 94 2HE2 GLN 94 1.963 14.959 -1.068 694 H GLU 95 H GLU 95 -0.331 10.613 -0.946 695 HA GLU 95 HA GLU 95 -1.519 8.235 -0.770 696 HB2 GLU 95 1HB GLU 95 -3.620 9.274 -1.677 697 HB3 GLU 95 2HB GLU 95 -2.820 10.203 -0.418 698 HG2 GLU 95 1HG GLU 95 -1.780 11.594 -2.205 699 HG3 GLU 95 2HG GLU 95 -2.781 10.738 -3.376 700 H HIS 96 H HIS 96 -2.414 6.653 -2.060 701 HA HIS 96 HA HIS 96 -1.867 6.842 -4.947 702 HB2 HIS 96 1HB HIS 96 -0.167 5.398 -4.121 703 HB3 HIS 96 2HB HIS 96 -1.300 4.540 -3.081 704 HD1 HIS 96 1HD HIS 96 0.464 4.085 -6.103 705 HD2 HIS 96 2HD HIS 96 -3.407 3.223 -4.864 706 HE1 HIS 96 1HE HIS 96 -0.372 2.321 -7.688 707 HE2 HIS 96 2HE HIS 96 -2.745 1.877 -6.972 708 H HIS 97 H HIS 97 -3.552 6.396 -6.214 709 HA HIS 97 HA HIS 97 -5.883 5.066 -4.995 710 HB2 HIS 97 1HB HIS 97 -6.018 6.956 -7.338 711 HB3 HIS 97 2HB HIS 97 -7.329 6.420 -6.291 712 HD1 HIS 97 1HD HIS 97 -4.381 8.756 -6.350 713 HD2 HIS 97 2HD HIS 97 -7.693 7.910 -3.989 714 HE1 HIS 97 1HE HIS 97 -4.500 10.620 -4.666 715 HE2 HIS 97 2HE HIS 97 -6.461 10.041 -3.195 716 H SER 98 H SER 98 -6.676 3.288 -5.949 717 HA SER 98 HA SER 98 -5.269 2.255 -8.277 718 HB2 SER 98 1HB SER 98 -5.702 0.847 -6.232 719 HB3 SER 98 2HB SER 98 -7.417 0.890 -6.643 720 HG SER 98 HG SER 98 -5.293 -0.371 -7.975 721 H GLN 99 H GLN 99 -6.679 0.987 -9.878 722 HA GLN 99 HA GLN 99 -8.756 2.813 -10.821 723 HB2 GLN 99 1HB GLN 99 -7.121 0.659 -12.129 724 HB3 GLN 99 2HB GLN 99 -8.580 1.272 -12.897 725 HG2 GLN 99 1HG GLN 99 -7.666 3.320 -13.325 726 HG3 GLN 99 2HG GLN 99 -6.540 3.223 -11.973 727 HE21 GLN 99 1HE2 GLN 99 -4.567 3.347 -12.770 728 HE22 GLN 99 2HE2 GLN 99 -3.957 2.449 -14.114 729 H THR 100 H THR 100 -8.268 -0.600 -10.037 730 HA THR 100 HA THR 100 -9.764 -2.351 -9.932 731 HB THR 100 HB THR 100 -11.504 -2.002 -8.246 732 HG1 THR 100 1HG THR 100 -11.438 0.308 -7.363 733 HG21 THR 100 1HG2 THR 100 -8.818 -0.752 -7.714 734 HG22 THR 100 2HG2 THR 100 -9.374 -2.375 -7.304 735 HG23 THR 100 3HG2 THR 100 -10.017 -0.978 -6.442 736 H GLN 101 H GLN 101 -10.141 -0.702 -12.293 737 HA GLN 101 HA GLN 101 -12.694 0.065 -12.898 738 HB2 GLN 101 1HB GLN 101 -10.478 -1.123 -14.491 739 HB3 GLN 101 2HB GLN 101 -12.064 -1.031 -15.246 740 HG2 GLN 101 1HG GLN 101 -10.400 1.238 -14.191 741 HG3 GLN 101 2HG GLN 101 -10.846 0.910 -15.865 742 HE21 GLN 101 1HE2 GLN 101 -11.297 3.247 -14.077 743 HE22 GLN 101 2HE2 GLN 101 -12.998 3.536 -14.143 744 H LEU 102 H LEU 102 -14.221 -1.146 -14.440 745 HA LEU 102 HA LEU 102 -14.532 -3.944 -13.593 746 HB2 LEU 102 1HB LEU 102 -17.079 -3.339 -13.741 747 HB3 LEU 102 2HB LEU 102 -16.158 -3.055 -12.266 748 HG LEU 102 HG LEU 102 -15.903 -0.674 -12.967 749 HD11 LEU 102 1HD1 LEU 102 -17.003 0.222 -14.794 750 HD12 LEU 102 2HD1 LEU 102 -18.100 -1.151 -14.939 751 HD13 LEU 102 3HD1 LEU 102 -16.412 -1.317 -15.423 752 HD21 LEU 102 1HD2 LEU 102 -17.815 -0.103 -11.901 753 HD22 LEU 102 2HD2 LEU 102 -17.889 -1.839 -11.598 754 HD23 LEU 102 3HD2 LEU 102 -18.822 -1.133 -12.919 755 H ASP 103 H ASP 103 -13.980 -2.002 -16.100 756 HA ASP 103 HA ASP 103 -15.876 -3.017 -18.010 757 HB2 ASP 103 1HB ASP 103 -14.588 -1.773 -19.659 758 HB3 ASP 103 2HB ASP 103 -14.869 -0.770 -18.239 759 H SER 104 H SER 104 -15.126 -4.121 -20.019 760 HA SER 104 HA SER 104 -13.102 -6.158 -19.355 761 HB2 SER 104 1HB SER 104 -15.630 -6.776 -19.695 762 HB3 SER 104 2HB SER 104 -15.237 -6.626 -21.407 763 HG SER 104 HG SER 104 -14.769 -8.677 -19.807 764 H GLY 105 H GLY 105 -14.635 -4.596 -22.177 765 HA2 GLY 105 1HA GLY 105 -12.037 -4.811 -23.566 766 HA3 GLY 105 2HA GLY 105 -13.597 -4.787 -24.376 767 HA PRO 106 HA PRO 106 -12.551 -0.293 -22.823 768 HB2 PRO 106 1HB PRO 106 -9.901 0.167 -22.450 769 HB3 PRO 106 2HB PRO 106 -10.976 -0.363 -21.151 770 HG2 PRO 106 1HG PRO 106 -9.085 -1.974 -22.820 771 HG3 PRO 106 2HG PRO 106 -9.383 -2.054 -21.074 772 HD2 PRO 106 1HD PRO 106 -10.463 -3.820 -22.819 773 HD3 PRO 106 2HD PRO 106 -11.292 -3.319 -21.331 774 H SER 107 H SER 107 -12.517 1.155 -24.432 775 HA SER 107 HA SER 107 -11.224 0.439 -26.932 776 HB2 SER 107 1HB SER 107 -13.545 1.255 -26.968 777 HB3 SER 107 2HB SER 107 -13.021 2.781 -26.255 778 HG SER 107 HG SER 107 -12.649 1.797 -28.844 779 H SER 108 H SER 108 -9.312 1.184 -27.545 780 HA SER 108 HA SER 108 -8.002 3.244 -25.976 781 HB2 SER 108 1HB SER 108 -6.633 1.353 -26.478 782 HB3 SER 108 2HB SER 108 -7.051 1.421 -28.190 783 HG SER 108 HG SER 108 -5.286 2.557 -28.328 784 H GLY 109 H GLY 109 -8.544 2.669 -29.460 785 HA2 GLY 109 1HA GLY 109 -9.367 4.266 -30.989 786 HA3 GLY 109 2HA GLY 109 -9.042 5.528 -29.809 Start of MODEL 2 1 H1 GLY 1 H GLY 1 13.946 21.339 9.674 2 HA2 GLY 1 1HA GLY 1 15.276 19.823 10.891 3 HA3 GLY 1 2HA GLY 1 15.948 21.172 11.795 4 H SER 2 H SER 2 13.505 18.759 11.665 5 HA SER 2 HA SER 2 12.476 19.689 14.266 6 HB2 SER 2 1HB SER 2 11.023 18.606 11.880 7 HB3 SER 2 2HB SER 2 10.375 18.308 13.493 8 HG SER 2 HG SER 2 9.637 20.262 13.440 9 H SER 3 H SER 3 11.722 17.994 15.704 10 HA SER 3 HA SER 3 13.284 15.526 15.352 11 HB2 SER 3 1HB SER 3 12.314 16.953 17.832 12 HB3 SER 3 2HB SER 3 12.979 15.320 17.868 13 HG SER 3 HG SER 3 14.288 17.678 16.983 14 H GLY 4 H GLY 4 12.150 13.816 14.732 15 HA2 GLY 4 1HA GLY 4 9.845 12.927 16.132 16 HA3 GLY 4 2HA GLY 4 9.384 13.635 14.591 17 H SER 5 H SER 5 9.566 12.445 12.777 18 HA SER 5 HA SER 5 10.488 9.691 13.098 19 HB2 SER 5 1HB SER 5 8.826 11.053 10.972 20 HB3 SER 5 2HB SER 5 9.372 9.381 10.845 21 HG SER 5 HG SER 5 8.087 10.131 13.199 22 H SER 6 H SER 6 12.063 8.753 11.839 23 HA SER 6 HA SER 6 13.486 10.454 9.923 24 HB2 SER 6 1HB SER 6 14.607 9.224 12.411 25 HB3 SER 6 2HB SER 6 15.636 9.354 10.985 26 HG SER 6 HG SER 6 15.186 11.218 12.728 27 H GLY 7 H GLY 7 14.147 9.406 8.134 28 HA2 GLY 7 1HA GLY 7 15.050 6.831 7.851 29 HA3 GLY 7 2HA GLY 7 13.301 6.698 7.738 30 HA PRO 8 HA PRO 8 14.851 7.446 3.467 31 HB2 PRO 8 1HB PRO 8 13.109 5.721 2.301 32 HB3 PRO 8 2HB PRO 8 14.658 5.209 2.980 33 HG2 PRO 8 1HG PRO 8 11.919 5.050 4.178 34 HG3 PRO 8 2HG PRO 8 13.215 3.839 4.184 35 HD2 PRO 8 1HD PRO 8 12.698 5.430 6.313 36 HD3 PRO 8 2HD PRO 8 14.333 4.861 5.921 37 HA PRO 9 HA PRO 9 11.716 10.256 2.198 38 HB2 PRO 9 1HB PRO 9 11.821 10.049 -0.506 39 HB3 PRO 9 2HB PRO 9 13.084 10.837 0.446 40 HG2 PRO 9 1HG PRO 9 13.019 8.069 -0.693 41 HG3 PRO 9 2HG PRO 9 14.353 9.237 -0.666 42 HD2 PRO 9 1HD PRO 9 14.183 7.178 1.085 43 HD3 PRO 9 2HD PRO 9 14.911 8.740 1.514 44 H ALA 10 H ALA 10 9.554 10.314 1.843 45 HA ALA 10 HA ALA 10 7.926 8.156 2.013 46 HB1 ALA 10 1HB ALA 10 6.879 10.246 0.220 47 HB2 ALA 10 2HB ALA 10 6.214 9.592 1.717 48 HB3 ALA 10 3HB ALA 10 7.492 10.806 1.776 49 H VAL 11 H VAL 11 7.498 6.442 0.796 50 HA VAL 11 HA VAL 11 8.675 5.761 -1.562 51 HB VAL 11 HB VAL 11 5.883 4.966 -0.724 52 HG11 VAL 11 1HG1 VAL 11 6.513 4.491 -3.106 53 HG12 VAL 11 2HG1 VAL 11 7.801 3.455 -2.486 54 HG13 VAL 11 3HG1 VAL 11 6.114 3.070 -2.142 55 HG21 VAL 11 1HG2 VAL 11 8.573 3.755 -0.100 56 HG22 VAL 11 2HG2 VAL 11 7.449 4.493 1.042 57 HG23 VAL 11 3HG2 VAL 11 7.024 2.981 0.239 58 H SER 12 H SER 12 8.654 6.614 -3.524 59 HA SER 12 HA SER 12 6.253 8.078 -4.400 60 HB2 SER 12 1HB SER 12 7.612 9.543 -5.638 61 HB3 SER 12 2HB SER 12 8.518 9.299 -4.145 62 HG SER 12 HG SER 12 9.599 7.547 -5.394 63 H ASP 13 H ASP 13 6.298 8.211 -6.960 64 HA ASP 13 HA ASP 13 5.607 6.985 -8.775 65 HB2 ASP 13 1HB ASP 13 8.417 6.019 -8.253 66 HB3 ASP 13 2HB ASP 13 7.511 5.556 -9.691 67 H ILE 14 H ILE 14 4.342 5.920 -6.679 68 HA ILE 14 HA ILE 14 4.864 3.098 -6.420 69 HB ILE 14 HB ILE 14 2.583 4.807 -5.429 70 HG12 ILE 14 1HG1 ILE 14 4.781 3.449 -3.865 71 HG13 ILE 14 2HG1 ILE 14 4.900 5.107 -4.443 72 HG21 ILE 14 1HG2 ILE 14 1.781 2.551 -5.788 73 HG22 ILE 14 2HG2 ILE 14 3.157 1.894 -4.905 74 HG23 ILE 14 3HG2 ILE 14 1.948 2.860 -4.060 75 HD11 ILE 14 1HD1 ILE 14 2.836 5.625 -3.152 76 HD12 ILE 14 2HD1 ILE 14 2.925 4.001 -2.469 77 HD13 ILE 14 3HD1 ILE 14 4.221 5.157 -2.166 78 H ARG 15 H ARG 15 4.559 2.010 -8.299 79 HA ARG 15 HA ARG 15 2.142 2.471 -9.863 80 HB2 ARG 15 1HB ARG 15 4.420 0.557 -10.399 81 HB3 ARG 15 2HB ARG 15 3.151 1.019 -11.524 82 HG2 ARG 15 1HG ARG 15 4.016 3.172 -11.801 83 HG3 ARG 15 2HG ARG 15 5.018 3.048 -10.353 84 HD2 ARG 15 1HD ARG 15 6.574 2.750 -12.028 85 HD3 ARG 15 2HD ARG 15 6.149 1.086 -11.632 86 HE ARG 15 HE ARG 15 5.218 0.860 -13.715 87 HH11 ARG 15 2HH1 ARG 15 5.760 4.235 -13.053 88 HH12 ARG 15 1HH1 ARG 15 5.386 4.746 -14.666 89 HH21 ARG 15 2HH2 ARG 15 4.722 1.520 -15.841 90 HH22 ARG 15 1HH2 ARG 15 4.795 3.200 -16.251 91 H VAL 16 H VAL 16 0.533 0.970 -10.177 92 HA VAL 16 HA VAL 16 0.645 -1.432 -8.470 93 HB VAL 16 HB VAL 16 -0.935 -0.008 -7.437 94 HG11 VAL 16 1HG1 VAL 16 -1.539 0.777 -10.195 95 HG12 VAL 16 2HG1 VAL 16 -2.952 0.640 -9.148 96 HG13 VAL 16 3HG1 VAL 16 -1.624 1.713 -8.703 97 HG21 VAL 16 1HG2 VAL 16 -1.711 -2.435 -8.634 98 HG22 VAL 16 2HG2 VAL 16 -2.390 -1.670 -7.197 99 HG23 VAL 16 3HG2 VAL 16 -3.083 -1.337 -8.784 100 H THR 17 H THR 17 0.828 -3.162 -9.727 101 HA THR 17 HA THR 17 -0.578 -3.198 -12.312 102 HB THR 17 HB THR 17 1.016 -4.669 -13.162 103 HG1 THR 17 1HG THR 17 2.093 -6.104 -11.960 104 HG21 THR 17 1HG2 THR 17 3.211 -3.717 -12.630 105 HG22 THR 17 2HG2 THR 17 2.534 -2.954 -11.191 106 HG23 THR 17 3HG2 THR 17 1.991 -2.455 -12.793 107 H ARG 18 H ARG 18 -1.280 -5.444 -13.007 108 HA ARG 18 HA ARG 18 -2.694 -7.204 -12.724 109 HB2 ARG 18 1HB ARG 18 -0.595 -7.914 -11.373 110 HB3 ARG 18 2HB ARG 18 -1.587 -7.583 -9.959 111 HG2 ARG 18 1HG ARG 18 -3.303 -9.153 -11.070 112 HG3 ARG 18 2HG ARG 18 -1.937 -9.685 -12.054 113 HD2 ARG 18 1HD ARG 18 -0.689 -10.179 -9.972 114 HD3 ARG 18 2HD ARG 18 -2.125 -9.746 -9.045 115 HE ARG 18 HE ARG 18 -2.960 -11.816 -9.498 116 HH11 ARG 18 2HH1 ARG 18 -0.547 -11.052 -11.888 117 HH12 ARG 18 1HH1 ARG 18 -0.620 -12.607 -12.648 118 HH21 ARG 18 2HH2 ARG 18 -3.065 -13.867 -10.490 119 HH22 ARG 18 1HH2 ARG 18 -2.053 -14.207 -11.852 120 H SER 19 H SER 19 -4.000 -4.942 -12.366 121 HA SER 19 HA SER 19 -5.222 -4.593 -9.830 122 HB2 SER 19 1HB SER 19 -6.845 -3.167 -11.074 123 HB3 SER 19 2HB SER 19 -5.165 -2.762 -11.424 124 HG SER 19 HG SER 19 -5.395 -3.462 -13.419 125 H SER 20 H SER 20 -5.885 -6.707 -9.234 126 HA SER 20 HA SER 20 -7.887 -8.066 -10.815 127 HB2 SER 20 1HB SER 20 -6.353 -8.662 -8.331 128 HB3 SER 20 2HB SER 20 -7.895 -9.487 -8.555 129 HG SER 20 HG SER 20 -6.312 -10.734 -9.496 130 HA PRO 21 HA PRO 21 -11.523 -6.490 -8.934 131 HB2 PRO 21 1HB PRO 21 -13.090 -8.702 -8.777 132 HB3 PRO 21 2HB PRO 21 -12.719 -7.894 -10.305 133 HG2 PRO 21 1HG PRO 21 -11.476 -10.339 -9.104 134 HG3 PRO 21 2HG PRO 21 -11.957 -10.038 -10.784 135 HD2 PRO 21 1HD PRO 21 -9.390 -9.841 -9.946 136 HD3 PRO 21 2HD PRO 21 -10.050 -8.827 -11.245 137 H SER 22 H SER 22 -10.630 -9.638 -7.507 138 HA SER 22 HA SER 22 -11.670 -8.771 -4.925 139 HB2 SER 22 1HB SER 22 -11.390 -11.066 -4.221 140 HB3 SER 22 2HB SER 22 -12.161 -11.062 -5.807 141 HG SER 22 HG SER 22 -9.748 -11.190 -6.475 142 H SER 23 H SER 23 -8.665 -9.218 -6.578 143 HA SER 23 HA SER 23 -7.223 -8.570 -4.089 144 HB2 SER 23 1HB SER 23 -5.258 -9.753 -5.102 145 HB3 SER 23 2HB SER 23 -6.623 -10.813 -4.753 146 HG SER 23 HG SER 23 -5.949 -11.300 -6.799 147 H LEU 24 H LEU 24 -5.116 -7.445 -4.490 148 HA LEU 24 HA LEU 24 -4.937 -5.924 -6.952 149 HB2 LEU 24 1HB LEU 24 -5.590 -4.695 -4.295 150 HB3 LEU 24 2HB LEU 24 -4.764 -3.779 -5.553 151 HG LEU 24 HG LEU 24 -7.419 -5.100 -6.040 152 HD11 LEU 24 1HD1 LEU 24 -7.264 -3.379 -4.057 153 HD12 LEU 24 2HD1 LEU 24 -8.593 -3.322 -5.214 154 HD13 LEU 24 3HD1 LEU 24 -7.237 -2.206 -5.374 155 HD21 LEU 24 1HD2 LEU 24 -6.140 -2.691 -7.319 156 HD22 LEU 24 2HD2 LEU 24 -7.580 -3.557 -7.853 157 HD23 LEU 24 3HD2 LEU 24 -5.998 -4.332 -7.950 158 H SER 25 H SER 25 -2.883 -6.317 -7.458 159 HA SER 25 HA SER 25 -0.856 -6.592 -5.410 160 HB2 SER 25 1HB SER 25 -1.108 -7.887 -7.699 161 HB3 SER 25 2HB SER 25 -0.194 -6.516 -8.327 162 HG SER 25 HG SER 25 0.941 -8.506 -7.411 163 H LEU 26 H LEU 26 1.035 -5.318 -5.264 164 HA LEU 26 HA LEU 26 0.918 -2.701 -6.596 165 HB2 LEU 26 1HB LEU 26 1.471 -3.175 -3.671 166 HB3 LEU 26 2HB LEU 26 1.617 -1.625 -4.497 167 HG LEU 26 HG LEU 26 -1.011 -3.032 -4.542 168 HD11 LEU 26 1HD1 LEU 26 -0.238 -3.129 -2.194 169 HD12 LEU 26 2HD1 LEU 26 -1.648 -2.095 -2.420 170 HD13 LEU 26 3HD1 LEU 26 -0.052 -1.375 -2.214 171 HD21 LEU 26 1HD2 LEU 26 -0.181 -0.733 -5.632 172 HD22 LEU 26 2HD2 LEU 26 -0.691 -0.134 -4.053 173 HD23 LEU 26 3HD2 LEU 26 -1.836 -0.995 -5.082 174 H ALA 27 H ALA 27 3.030 -1.489 -6.318 175 HA ALA 27 HA ALA 27 5.413 -2.848 -5.661 176 HB1 ALA 27 1HB ALA 27 5.759 -2.550 -8.479 177 HB2 ALA 27 2HB ALA 27 5.924 -3.999 -7.487 178 HB3 ALA 27 3HB ALA 27 4.356 -3.574 -8.172 179 H TRP 28 H TRP 28 6.847 -1.314 -5.207 180 HA TRP 28 HA TRP 28 6.553 1.302 -6.529 181 HB2 TRP 28 1HB TRP 28 7.975 1.953 -4.363 182 HB3 TRP 28 2HB TRP 28 6.216 1.874 -4.342 183 HD1 TRP 28 HD TRP 28 9.057 0.757 -2.390 184 HE1 TRP 28 1HE TRP 28 8.435 -1.203 -0.843 185 HE3 TRP 28 3HE TRP 28 4.597 -0.564 -4.510 186 HZ2 TRP 28 2HZ TRP 28 6.331 -3.064 -0.559 187 HZ3 TRP 28 3HZ TRP 28 3.342 -2.446 -3.541 188 HH2 TRP 28 HH TRP 28 4.193 -3.669 -1.607 189 H ALA 29 H ALA 29 8.656 2.589 -6.534 190 HA ALA 29 HA ALA 29 10.756 0.850 -7.604 191 HB1 ALA 29 1HB ALA 29 11.641 3.240 -8.304 192 HB2 ALA 29 2HB ALA 29 10.383 2.413 -9.224 193 HB3 ALA 29 3HB ALA 29 9.947 3.671 -8.067 194 H VAL 30 H VAL 30 12.410 0.352 -6.338 195 HA VAL 30 HA VAL 30 12.963 1.057 -3.816 196 HB VAL 30 HB VAL 30 15.051 0.665 -5.964 197 HG11 VAL 30 1HG1 VAL 30 16.637 0.245 -4.274 198 HG12 VAL 30 2HG1 VAL 30 15.820 1.733 -3.791 199 HG13 VAL 30 3HG1 VAL 30 15.403 0.205 -3.015 200 HG21 VAL 30 1HG2 VAL 30 14.945 -1.619 -5.545 201 HG22 VAL 30 2HG2 VAL 30 14.133 -1.398 -3.995 202 HG23 VAL 30 3HG2 VAL 30 13.251 -1.130 -5.499 203 HA PRO 31 HA PRO 31 13.574 5.515 -4.403 204 HB2 PRO 31 1HB PRO 31 13.086 6.132 -1.805 205 HB3 PRO 31 2HB PRO 31 11.799 5.861 -2.986 206 HG2 PRO 31 1HG PRO 31 12.906 3.989 -0.929 207 HG3 PRO 31 2HG PRO 31 11.217 4.280 -1.383 208 HD2 PRO 31 1HD PRO 31 12.618 2.143 -2.278 209 HD3 PRO 31 2HD PRO 31 11.353 2.927 -3.245 210 H ARG 32 H ARG 32 15.035 7.070 -3.333 211 HA ARG 32 HA ARG 32 17.503 5.734 -2.531 212 HB2 ARG 32 1HB ARG 32 16.899 8.558 -3.408 213 HB3 ARG 32 2HB ARG 32 18.481 8.049 -2.831 214 HG2 ARG 32 1HG ARG 32 18.514 6.345 -4.653 215 HG3 ARG 32 2HG ARG 32 17.027 7.065 -5.273 216 HD2 ARG 32 1HD ARG 32 19.444 8.758 -4.771 217 HD3 ARG 32 2HD ARG 32 19.309 7.812 -6.252 218 HE ARG 32 HE ARG 32 17.026 9.480 -5.659 219 HH11 ARG 32 2HH1 ARG 32 20.102 9.232 -7.271 220 HH12 ARG 32 1HH1 ARG 32 19.759 10.499 -8.402 221 HH21 ARG 32 2HH2 ARG 32 16.562 11.150 -7.143 222 HH22 ARG 32 1HH2 ARG 32 17.745 11.590 -8.327 223 H ALA 33 H ALA 33 18.019 5.550 -0.462 224 HA ALA 33 HA ALA 33 16.741 7.326 1.491 225 HB1 ALA 33 1HB ALA 33 18.313 5.132 2.579 226 HB2 ALA 33 2HB ALA 33 16.632 5.578 2.875 227 HB3 ALA 33 3HB ALA 33 17.049 4.592 1.473 228 HA PRO 34 HA PRO 34 20.444 9.477 2.456 229 HB2 PRO 34 1HB PRO 34 20.139 9.894 5.121 230 HB3 PRO 34 2HB PRO 34 19.189 10.750 3.900 231 HG2 PRO 34 1HG PRO 34 18.442 8.370 5.555 232 HG3 PRO 34 2HG PRO 34 17.476 9.802 5.155 233 HD2 PRO 34 1HD PRO 34 17.180 7.439 3.867 234 HD3 PRO 34 2HD PRO 34 16.926 9.002 3.065 235 H SER 35 H SER 35 19.687 7.057 4.971 236 HA SER 35 HA SER 35 22.531 6.283 4.943 237 HB2 SER 35 1HB SER 35 21.987 7.396 7.045 238 HB3 SER 35 2HB SER 35 20.623 6.306 7.295 239 HG SER 35 HG SER 35 22.006 4.644 7.653 240 H GLY 36 H GLY 36 22.989 4.186 4.612 241 HA2 GLY 36 1HA GLY 36 22.661 1.980 4.068 242 HA3 GLY 36 2HA GLY 36 21.479 1.982 5.368 243 H ALA 37 H ALA 37 20.660 0.315 3.699 244 HA ALA 37 HA ALA 37 18.983 1.661 1.689 245 HB1 ALA 37 1HB ALA 37 20.546 -0.750 1.630 246 HB2 ALA 37 2HB ALA 37 18.856 -1.103 1.268 247 HB3 ALA 37 3HB ALA 37 19.732 0.090 0.310 248 H VAL 38 H VAL 38 16.818 0.702 1.331 249 HA VAL 38 HA VAL 38 15.314 0.671 3.704 250 HB VAL 38 HB VAL 38 14.494 -0.342 0.978 251 HG11 VAL 38 1HG1 VAL 38 12.812 0.567 3.312 252 HG12 VAL 38 2HG1 VAL 38 12.212 0.067 1.729 253 HG13 VAL 38 3HG1 VAL 38 13.017 -1.101 2.778 254 HG21 VAL 38 1HG2 VAL 38 15.357 2.102 1.327 255 HG22 VAL 38 2HG2 VAL 38 13.899 1.801 0.383 256 HG23 VAL 38 3HG2 VAL 38 13.770 2.345 2.056 257 H LEU 39 H LEU 39 14.423 -0.949 4.909 258 HA LEU 39 HA LEU 39 15.544 -3.619 4.490 259 HB2 LEU 39 1HB LEU 39 14.057 -2.524 6.872 260 HB3 LEU 39 2HB LEU 39 14.910 -4.064 6.784 261 HG LEU 39 HG LEU 39 16.372 -1.473 6.407 262 HD11 LEU 39 1HD1 LEU 39 16.821 -2.285 9.022 263 HD12 LEU 39 2HD1 LEU 39 15.073 -2.388 8.821 264 HD13 LEU 39 3HD1 LEU 39 15.909 -0.870 8.494 265 HD21 LEU 39 1HD2 LEU 39 17.172 -4.024 6.079 266 HD22 LEU 39 2HD2 LEU 39 17.539 -3.801 7.790 267 HD23 LEU 39 3HD2 LEU 39 18.244 -2.719 6.588 268 H ASP 40 H ASP 40 12.419 -2.320 5.628 269 HA ASP 40 HA ASP 40 11.055 -4.246 3.888 270 HB2 ASP 40 1HB ASP 40 10.080 -3.802 6.696 271 HB3 ASP 40 2HB ASP 40 9.694 -5.115 5.587 272 H TYR 41 H TYR 41 8.493 -3.765 4.355 273 HA TYR 41 HA TYR 41 8.077 -0.869 4.373 274 HB2 TYR 41 1HB TYR 41 6.946 -2.614 2.183 275 HB3 TYR 41 2HB TYR 41 6.866 -0.860 2.306 276 HD1 TYR 41 1HD TYR 41 9.265 -3.675 1.900 277 HD2 TYR 41 2HD TYR 41 8.507 0.469 1.302 278 HE1 TYR 41 1HE TYR 41 11.328 -3.495 0.573 279 HE2 TYR 41 2HE TYR 41 10.567 0.660 -0.027 280 HH TYR 41 HH TYR 41 12.122 -0.611 -1.208 281 H GLU 42 H GLU 42 5.717 -0.322 4.398 282 HA GLU 42 HA GLU 42 4.078 -2.448 5.586 283 HB2 GLU 42 1HB GLU 42 5.137 -1.010 7.364 284 HB3 GLU 42 2HB GLU 42 4.231 0.349 6.713 285 HG2 GLU 42 1HG GLU 42 2.219 -0.447 7.468 286 HG3 GLU 42 2HG GLU 42 2.765 -2.123 7.484 287 H VAL 43 H VAL 43 2.437 -2.666 4.214 288 HA VAL 43 HA VAL 43 1.399 -0.356 2.774 289 HB VAL 43 HB VAL 43 0.645 -3.275 2.571 290 HG11 VAL 43 1HG1 VAL 43 -0.589 -0.880 1.531 291 HG12 VAL 43 2HG1 VAL 43 -0.066 -1.951 0.230 292 HG13 VAL 43 3HG1 VAL 43 -1.154 -2.549 1.482 293 HG21 VAL 43 1HG2 VAL 43 1.969 -1.977 0.309 294 HG22 VAL 43 2HG2 VAL 43 2.974 -2.101 1.753 295 HG23 VAL 43 3HG2 VAL 43 2.264 -3.552 1.045 296 H LYS 44 H LYS 44 0.080 0.860 4.001 297 HA LYS 44 HA LYS 44 -1.914 -0.456 5.695 298 HB2 LYS 44 1HB LYS 44 -0.382 1.450 6.504 299 HB3 LYS 44 2HB LYS 44 -1.413 2.508 5.550 300 HG2 LYS 44 1HG LYS 44 -3.361 1.555 6.864 301 HG3 LYS 44 2HG LYS 44 -2.152 0.854 7.943 302 HD2 LYS 44 1HD LYS 44 -2.757 2.903 8.933 303 HD3 LYS 44 2HD LYS 44 -1.203 3.206 8.152 304 HE2 LYS 44 1HE LYS 44 -2.445 5.051 7.515 305 HE3 LYS 44 2HE LYS 44 -2.651 3.967 6.139 306 HZ1 LYS 44 1HZ LYS 44 -4.803 3.396 6.839 307 HZ2 LYS 44 2HZ LYS 44 -4.720 5.076 7.010 308 HZ3 LYS 44 3HZ LYS 44 -4.593 4.080 8.372 309 H TYR 45 H TYR 45 -3.811 -0.864 4.783 310 HA TYR 45 HA TYR 45 -4.905 1.107 2.883 311 HB2 TYR 45 1HB TYR 45 -6.095 -0.788 1.802 312 HB3 TYR 45 2HB TYR 45 -4.344 -0.925 1.692 313 HD1 TYR 45 2HD TYR 45 -3.199 -2.389 3.519 314 HD2 TYR 45 1HD TYR 45 -7.341 -2.592 2.566 315 HE1 TYR 45 2HE TYR 45 -3.310 -4.639 4.507 316 HE2 TYR 45 1HE TYR 45 -7.464 -4.842 3.552 317 HH TYR 45 HH TYR 45 -5.506 -6.790 3.942 318 H HIS 46 H HIS 46 -6.709 2.063 3.529 319 HA HIS 46 HA HIS 46 -8.456 0.649 5.433 320 HB2 HIS 46 1HB HIS 46 -8.715 2.532 6.765 321 HB3 HIS 46 2HB HIS 46 -7.017 2.646 6.312 322 HD1 HIS 46 1HD HIS 46 -6.535 4.332 4.234 323 HD2 HIS 46 2HD HIS 46 -10.187 4.738 6.172 324 HE1 HIS 46 1HE HIS 46 -7.388 6.607 3.589 325 HE2 HIS 46 2HE HIS 46 -9.559 6.865 4.841 326 H GLU 47 H GLU 47 -10.556 0.560 4.908 327 HA GLU 47 HA GLU 47 -11.445 1.303 2.351 328 HB2 GLU 47 1HB GLU 47 -12.459 -0.521 3.640 329 HB3 GLU 47 2HB GLU 47 -13.071 0.637 4.812 330 HG2 GLU 47 1HG GLU 47 -14.316 1.701 2.863 331 HG3 GLU 47 2HG GLU 47 -13.923 0.235 1.967 332 H LYS 48 H LYS 48 -12.123 3.179 1.565 333 HA LYS 48 HA LYS 48 -12.072 5.576 2.959 334 HB2 LYS 48 1HB LYS 48 -12.029 5.291 0.465 335 HB3 LYS 48 2HB LYS 48 -13.763 5.005 0.521 336 HG2 LYS 48 1HG LYS 48 -14.249 7.192 1.013 337 HG3 LYS 48 2HG LYS 48 -12.670 7.492 1.742 338 HD2 LYS 48 1HD LYS 48 -11.686 7.246 -0.567 339 HD3 LYS 48 2HD LYS 48 -13.339 7.251 -1.186 340 HE2 LYS 48 1HE LYS 48 -12.348 9.440 0.607 341 HE3 LYS 48 2HE LYS 48 -12.028 9.472 -1.127 342 HZ1 LYS 48 1HZ LYS 48 -13.985 10.612 -1.027 343 HZ2 LYS 48 2HZ LYS 48 -14.576 9.743 0.298 344 HZ3 LYS 48 3HZ LYS 48 -14.588 9.046 -1.244 345 H GLY 49 H GLY 49 -15.034 3.971 1.766 346 HA2 GLY 49 1HA GLY 49 -16.987 5.422 2.888 347 HA3 GLY 49 2HA GLY 49 -17.060 3.667 2.863 348 H ALA 50 H ALA 50 -15.393 2.784 4.686 349 HA ALA 50 HA ALA 50 -16.616 2.982 7.098 350 HB1 ALA 50 1HB ALA 50 -14.336 1.746 6.159 351 HB2 ALA 50 2HB ALA 50 -13.742 2.774 7.464 352 HB3 ALA 50 3HB ALA 50 -15.012 1.593 7.782 353 H GLU 51 H GLU 51 -16.464 4.217 8.947 354 HA GLU 51 HA GLU 51 -15.345 6.888 8.560 355 HB2 GLU 51 1HB GLU 51 -17.709 6.637 9.284 356 HB3 GLU 51 2HB GLU 51 -17.147 5.866 10.761 357 HG2 GLU 51 1HG GLU 51 -17.632 8.119 11.287 358 HG3 GLU 51 2HG GLU 51 -15.877 7.958 11.269 359 H GLY 52 H GLY 52 -13.371 7.288 9.295 360 HA2 GLY 52 1HA GLY 52 -11.714 7.525 10.921 361 HA3 GLY 52 2HA GLY 52 -12.624 6.448 11.971 362 HA PRO 53 HA PRO 53 -8.893 4.280 10.067 363 HB2 PRO 53 1HB PRO 53 -7.553 3.851 12.389 364 HB3 PRO 53 2HB PRO 53 -7.334 5.305 11.408 365 HG2 PRO 53 1HG PRO 53 -8.997 4.911 13.866 366 HG3 PRO 53 2HG PRO 53 -7.944 6.271 13.434 367 HD2 PRO 53 1HD PRO 53 -10.634 6.360 13.139 368 HD3 PRO 53 2HD PRO 53 -9.525 7.219 12.051 369 H SER 54 H SER 54 -11.304 3.739 12.409 370 HA SER 54 HA SER 54 -10.941 1.350 13.561 371 HB2 SER 54 1HB SER 54 -13.110 2.833 13.269 372 HB3 SER 54 2HB SER 54 -13.493 1.641 12.026 373 HG SER 54 HG SER 54 -12.643 0.704 14.514 374 H SER 55 H SER 55 -11.522 1.854 10.127 375 HA SER 55 HA SER 55 -11.223 -1.033 9.662 376 HB2 SER 55 1HB SER 55 -12.293 1.155 7.863 377 HB3 SER 55 2HB SER 55 -12.108 -0.532 7.381 378 HG SER 55 HG SER 55 -14.031 -0.753 8.192 379 H VAL 56 H VAL 56 -8.874 -0.287 10.289 380 HA VAL 56 HA VAL 56 -7.456 0.323 7.776 381 HB VAL 56 HB VAL 56 -6.678 1.059 10.598 382 HG11 VAL 56 1HG1 VAL 56 -4.927 2.177 8.654 383 HG12 VAL 56 2HG1 VAL 56 -4.544 1.086 9.987 384 HG13 VAL 56 3HG1 VAL 56 -4.990 0.432 8.411 385 HG21 VAL 56 1HG2 VAL 56 -7.062 3.262 10.026 386 HG22 VAL 56 2HG2 VAL 56 -6.897 2.953 8.297 387 HG23 VAL 56 3HG2 VAL 56 -8.352 2.437 9.150 388 H ARG 57 H ARG 57 -6.102 -1.189 7.058 389 HA ARG 57 HA ARG 57 -5.371 -3.375 8.891 390 HB2 ARG 57 1HB ARG 57 -5.949 -3.304 5.949 391 HB3 ARG 57 2HB ARG 57 -4.930 -4.573 6.614 392 HG2 ARG 57 1HG ARG 57 -7.704 -3.975 7.609 393 HG3 ARG 57 2HG ARG 57 -7.341 -5.170 6.362 394 HD2 ARG 57 1HD ARG 57 -5.936 -6.398 7.916 395 HD3 ARG 57 2HD ARG 57 -6.211 -5.177 9.158 396 HE ARG 57 HE ARG 57 -8.710 -5.988 8.564 397 HH11 ARG 57 2HH1 ARG 57 -5.795 -7.714 9.363 398 HH12 ARG 57 1HH1 ARG 57 -6.627 -9.037 10.110 399 HH21 ARG 57 2HH2 ARG 57 -9.818 -7.723 9.546 400 HH22 ARG 57 1HH2 ARG 57 -8.916 -9.041 10.213 401 H PHE 58 H PHE 58 -3.265 -4.418 8.460 402 HA PHE 58 HA PHE 58 -1.278 -2.592 7.303 403 HB2 PHE 58 1HB PHE 58 -1.271 -3.791 10.062 404 HB3 PHE 58 2HB PHE 58 0.231 -3.326 9.268 405 HD1 PHE 58 1HD PHE 58 0.681 -0.972 8.747 406 HD2 PHE 58 2HD PHE 58 -2.777 -2.160 10.926 407 HE1 PHE 58 1HE PHE 58 0.365 1.348 9.503 408 HE2 PHE 58 2HE PHE 58 -3.100 0.158 11.684 409 HZ PHE 58 HZ PHE 58 -1.529 1.916 10.972 410 H LEU 59 H LEU 59 0.390 -3.559 6.237 411 HA LEU 59 HA LEU 59 0.564 -6.491 6.342 412 HB2 LEU 59 1HB LEU 59 -0.678 -6.098 4.377 413 HB3 LEU 59 2HB LEU 59 0.340 -4.735 3.915 414 HG LEU 59 HG LEU 59 2.209 -6.503 3.680 415 HD11 LEU 59 1HD1 LEU 59 0.909 -8.301 4.789 416 HD12 LEU 59 2HD1 LEU 59 1.493 -8.738 3.183 417 HD13 LEU 59 3HD1 LEU 59 -0.198 -8.295 3.416 418 HD21 LEU 59 1HD2 LEU 59 0.652 -7.199 1.459 419 HD22 LEU 59 2HD2 LEU 59 1.845 -5.905 1.574 420 HD23 LEU 59 3HD2 LEU 59 0.146 -5.572 1.912 421 H LYS 60 H LYS 60 2.551 -7.110 6.836 422 HA LYS 60 HA LYS 60 4.772 -5.249 6.444 423 HB2 LYS 60 1HB LYS 60 4.416 -7.726 8.119 424 HB3 LYS 60 2HB LYS 60 6.001 -7.011 7.854 425 HG2 LYS 60 1HG LYS 60 5.551 -5.187 9.145 426 HG3 LYS 60 2HG LYS 60 3.817 -5.246 8.820 427 HD2 LYS 60 1HD LYS 60 3.858 -7.434 10.181 428 HD3 LYS 60 2HD LYS 60 5.432 -6.878 10.752 429 HE2 LYS 60 1HE LYS 60 4.180 -4.676 11.293 430 HE3 LYS 60 2HE LYS 60 2.726 -5.666 11.175 431 HZ1 LYS 60 1HZ LYS 60 3.251 -6.828 13.041 432 HZ2 LYS 60 2HZ LYS 60 3.991 -5.359 13.437 433 HZ3 LYS 60 3HZ LYS 60 4.921 -6.643 12.846 434 H THR 61 H THR 61 6.059 -5.452 4.746 435 HA THR 61 HA THR 61 6.603 -8.131 3.677 436 HB THR 61 HB THR 61 5.010 -7.396 2.112 437 HG1 THR 61 1HG THR 61 6.246 -7.580 0.379 438 HG21 THR 61 1HG2 THR 61 5.887 -4.930 1.107 439 HG22 THR 61 2HG2 THR 61 5.939 -4.776 2.864 440 HG23 THR 61 3HG2 THR 61 4.438 -5.242 2.063 441 H SER 62 H SER 62 8.687 -8.484 3.158 442 HA SER 62 HA SER 62 10.572 -6.308 3.630 443 HB2 SER 62 1HB SER 62 12.269 -8.031 3.782 444 HB3 SER 62 2HB SER 62 10.881 -8.516 4.756 445 HG SER 62 HG SER 62 12.023 -9.846 2.777 446 H GLU 63 H GLU 63 8.930 -6.555 1.155 447 HA GLU 63 HA GLU 63 11.155 -6.347 -0.740 448 HB2 GLU 63 1HB GLU 63 8.581 -7.752 -1.449 449 HB3 GLU 63 2HB GLU 63 10.045 -7.638 -2.417 450 HG2 GLU 63 1HG GLU 63 10.062 -8.988 0.253 451 HG3 GLU 63 2HG GLU 63 9.537 -9.838 -1.200 452 H ASN 64 H ASN 64 10.200 -5.476 -2.930 453 HA ASN 64 HA ASN 64 8.634 -3.106 -2.217 454 HB2 ASN 64 1HB ASN 64 9.532 -2.071 -4.186 455 HB3 ASN 64 2HB ASN 64 10.866 -2.861 -3.351 456 HD21 ASN 64 1HD2 ASN 64 10.836 -2.118 -6.075 457 HD22 ASN 64 2HD2 ASN 64 10.961 -3.561 -7.018 458 H ARG 65 H ARG 65 7.418 -5.741 -2.615 459 HA ARG 65 HA ARG 65 5.349 -4.921 -4.458 460 HB2 ARG 65 1HB ARG 65 5.442 -7.080 -5.727 461 HB3 ARG 65 2HB ARG 65 6.792 -5.996 -6.037 462 HG2 ARG 65 1HG ARG 65 7.953 -7.397 -4.154 463 HG3 ARG 65 2HG ARG 65 6.742 -8.600 -4.600 464 HD2 ARG 65 1HD ARG 65 8.518 -7.252 -6.619 465 HD3 ARG 65 2HD ARG 65 8.977 -8.740 -5.792 466 HE ARG 65 HE ARG 65 6.536 -9.316 -6.815 467 HH11 ARG 65 2HH1 ARG 65 9.480 -8.053 -8.178 468 HH12 ARG 65 1HH1 ARG 65 9.205 -8.743 -9.744 469 HH21 ARG 65 2HH2 ARG 65 6.162 -10.229 -8.872 470 HH22 ARG 65 1HH2 ARG 65 7.317 -9.980 -10.137 471 H ALA 66 H ALA 66 3.425 -5.523 -3.691 472 HA ALA 66 HA ALA 66 3.250 -7.890 -1.964 473 HB1 ALA 66 1HB ALA 66 2.001 -6.755 -0.291 474 HB2 ALA 66 2HB ALA 66 3.454 -5.800 -0.588 475 HB3 ALA 66 3HB ALA 66 1.909 -5.287 -1.265 476 H GLU 67 H GLU 67 0.974 -8.588 -1.616 477 HA GLU 67 HA GLU 67 -0.811 -7.786 -3.807 478 HB2 GLU 67 1HB GLU 67 0.320 -9.840 -4.502 479 HB3 GLU 67 2HB GLU 67 -0.168 -10.630 -3.010 480 HG2 GLU 67 1HG GLU 67 -2.389 -10.770 -3.657 481 HG3 GLU 67 2HG GLU 67 -2.217 -9.504 -4.871 482 H LEU 68 H LEU 68 -2.554 -6.973 -2.857 483 HA LEU 68 HA LEU 68 -3.399 -7.923 -0.245 484 HB2 LEU 68 1HB LEU 68 -4.720 -5.817 -1.937 485 HB3 LEU 68 2HB LEU 68 -4.870 -6.059 -0.197 486 HG LEU 68 HG LEU 68 -2.341 -5.168 -1.580 487 HD11 LEU 68 1HD1 LEU 68 -2.834 -2.952 -0.924 488 HD12 LEU 68 2HD1 LEU 68 -4.226 -3.466 0.030 489 HD13 LEU 68 3HD1 LEU 68 -4.280 -3.561 -1.730 490 HD21 LEU 68 1HD2 LEU 68 -1.439 -4.838 0.543 491 HD22 LEU 68 2HD2 LEU 68 -2.275 -6.385 0.682 492 HD23 LEU 68 3HD2 LEU 68 -3.014 -4.920 1.331 493 H ARG 69 H ARG 69 -4.663 -9.651 -0.127 494 HA ARG 69 HA ARG 69 -6.561 -10.185 -2.304 495 HB2 ARG 69 1HB ARG 69 -5.093 -11.892 -0.360 496 HB3 ARG 69 2HB ARG 69 -6.689 -12.432 -0.863 497 HG2 ARG 69 1HG ARG 69 -6.041 -12.634 -3.103 498 HG3 ARG 69 2HG ARG 69 -4.583 -11.670 -2.855 499 HD2 ARG 69 1HD ARG 69 -3.683 -13.775 -2.888 500 HD3 ARG 69 2HD ARG 69 -3.994 -13.590 -1.162 501 HE ARG 69 HE ARG 69 -5.326 -15.383 -2.992 502 HH11 ARG 69 2HH1 ARG 69 -5.452 -13.760 0.085 503 HH12 ARG 69 1HH1 ARG 69 -6.564 -14.891 0.783 504 HH21 ARG 69 2HH2 ARG 69 -6.790 -16.878 -2.085 505 HH22 ARG 69 1HH2 ARG 69 -7.323 -16.665 -0.452 506 H GLY 70 H GLY 70 -8.732 -10.752 -1.838 507 HA2 GLY 70 1HA GLY 70 -10.707 -10.755 -0.636 508 HA3 GLY 70 2HA GLY 70 -9.765 -10.572 0.836 509 H LEU 71 H LEU 71 -11.034 -8.803 -1.953 510 HA LEU 71 HA LEU 71 -11.493 -6.504 -0.213 511 HB2 LEU 71 1HB LEU 71 -10.059 -6.320 -2.859 512 HB3 LEU 71 2HB LEU 71 -10.586 -4.951 -1.882 513 HG LEU 71 HG LEU 71 -8.670 -6.960 -0.759 514 HD11 LEU 71 1HD1 LEU 71 -7.863 -4.547 -2.370 515 HD12 LEU 71 2HD1 LEU 71 -7.814 -6.204 -2.972 516 HD13 LEU 71 3HD1 LEU 71 -6.803 -5.731 -1.606 517 HD21 LEU 71 1HD2 LEU 71 -7.904 -4.692 0.288 518 HD22 LEU 71 2HD2 LEU 71 -9.327 -5.524 0.914 519 HD23 LEU 71 3HD2 LEU 71 -9.516 -4.157 -0.185 520 H LYS 72 H LYS 72 -12.556 -4.706 -1.812 521 HA LYS 72 HA LYS 72 -14.719 -6.128 -3.221 522 HB2 LYS 72 1HB LYS 72 -14.754 -3.630 -1.542 523 HB3 LYS 72 2HB LYS 72 -16.037 -3.980 -2.693 524 HG2 LYS 72 1HG LYS 72 -16.550 -6.047 -1.534 525 HG3 LYS 72 2HG LYS 72 -15.221 -5.763 -0.407 526 HD2 LYS 72 1HD LYS 72 -16.478 -3.491 -0.002 527 HD3 LYS 72 2HD LYS 72 -17.862 -4.393 -0.622 528 HE2 LYS 72 1HE LYS 72 -17.625 -6.050 1.096 529 HE3 LYS 72 2HE LYS 72 -16.108 -5.336 1.641 530 HZ1 LYS 72 1HZ LYS 72 -18.171 -3.399 1.662 531 HZ2 LYS 72 2HZ LYS 72 -17.215 -3.949 2.944 532 HZ3 LYS 72 3HZ LYS 72 -18.650 -4.756 2.553 533 H ARG 73 H ARG 73 -14.756 -5.831 -5.341 534 HA ARG 73 HA ARG 73 -13.128 -3.821 -6.592 535 HB2 ARG 73 1HB ARG 73 -13.476 -6.126 -7.514 536 HB3 ARG 73 2HB ARG 73 -15.135 -5.675 -7.881 537 HG2 ARG 73 1HG ARG 73 -13.962 -3.695 -9.157 538 HG3 ARG 73 2HG ARG 73 -12.604 -4.821 -9.178 539 HD2 ARG 73 1HD ARG 73 -13.710 -5.324 -11.150 540 HD3 ARG 73 2HD ARG 73 -14.345 -6.531 -10.033 541 HE ARG 73 HE ARG 73 -15.921 -4.124 -10.208 542 HH11 ARG 73 2HH1 ARG 73 -15.353 -7.305 -11.505 543 HH12 ARG 73 1HH1 ARG 73 -16.951 -7.467 -12.156 544 HH21 ARG 73 2HH2 ARG 73 -18.027 -4.326 -11.061 545 HH22 ARG 73 1HH2 ARG 73 -18.470 -5.771 -11.904 546 H GLY 74 H GLY 74 -14.914 -2.499 -5.018 547 HA2 GLY 74 1HA GLY 74 -16.156 -0.743 -6.877 548 HA3 GLY 74 2HA GLY 74 -17.359 -1.757 -6.094 549 H ALA 75 H ALA 75 -14.399 -0.546 -4.613 550 HA ALA 75 HA ALA 75 -15.869 1.478 -3.130 551 HB1 ALA 75 1HB ALA 75 -16.301 -0.246 -1.631 552 HB2 ALA 75 2HB ALA 75 -14.717 -0.985 -1.872 553 HB3 ALA 75 3HB ALA 75 -14.859 0.520 -0.963 554 H SER 76 H SER 76 -14.640 3.219 -2.766 555 HA SER 76 HA SER 76 -12.081 3.485 -3.843 556 HB2 SER 76 1HB SER 76 -13.277 5.184 -1.643 557 HB3 SER 76 2HB SER 76 -12.011 5.658 -2.775 558 HG SER 76 HG SER 76 -13.864 4.955 -4.350 559 H TYR 77 H TYR 77 -10.255 2.582 -3.189 560 HA TYR 77 HA TYR 77 -9.843 2.165 -0.301 561 HB2 TYR 77 1HB TYR 77 -9.180 0.491 -2.678 562 HB3 TYR 77 2HB TYR 77 -8.083 0.444 -1.302 563 HD1 TYR 77 1HD TYR 77 -9.052 -0.160 0.977 564 HD2 TYR 77 2HD TYR 77 -11.166 -0.756 -2.667 565 HE1 TYR 77 1HE TYR 77 -10.527 -1.774 2.103 566 HE2 TYR 77 2HE TYR 77 -12.648 -2.371 -1.550 567 HH TYR 77 HH TYR 77 -12.317 -3.077 1.913 568 H LEU 78 H LEU 78 -8.289 3.329 0.603 569 HA LEU 78 HA LEU 78 -6.369 4.713 -1.116 570 HB2 LEU 78 1HB LEU 78 -7.347 5.124 1.682 571 HB3 LEU 78 2HB LEU 78 -5.838 5.861 1.146 572 HG LEU 78 HG LEU 78 -7.910 7.316 1.073 573 HD11 LEU 78 1HD1 LEU 78 -6.328 6.889 -1.457 574 HD12 LEU 78 2HD1 LEU 78 -5.878 7.917 -0.097 575 HD13 LEU 78 3HD1 LEU 78 -7.285 8.322 -1.081 576 HD21 LEU 78 1HD2 LEU 78 -9.459 5.647 0.199 577 HD22 LEU 78 2HD2 LEU 78 -8.529 5.554 -1.297 578 HD23 LEU 78 3HD2 LEU 78 -9.368 7.046 -0.871 579 H VAL 79 H VAL 79 -4.715 3.347 -1.548 580 HA VAL 79 HA VAL 79 -3.532 1.776 0.607 581 HB VAL 79 HB VAL 79 -2.862 1.856 -2.338 582 HG11 VAL 79 1HG1 VAL 79 -2.035 -0.386 -0.582 583 HG12 VAL 79 2HG1 VAL 79 -1.246 0.287 -2.010 584 HG13 VAL 79 3HG1 VAL 79 -1.130 1.122 -0.460 585 HG21 VAL 79 1HG2 VAL 79 -3.880 -0.649 -1.531 586 HG22 VAL 79 2HG2 VAL 79 -4.973 0.581 -0.898 587 HG23 VAL 79 3HG2 VAL 79 -4.616 0.523 -2.624 588 H GLN 80 H GLN 80 -1.739 2.343 1.655 589 HA GLN 80 HA GLN 80 -0.029 4.433 0.481 590 HB2 GLN 80 1HB GLN 80 -1.040 4.175 3.305 591 HB3 GLN 80 2HB GLN 80 0.393 5.118 2.918 592 HG2 GLN 80 1HG GLN 80 -1.221 6.735 2.888 593 HG3 GLN 80 2HG GLN 80 -1.180 6.269 1.188 594 HE21 GLN 80 1HE2 GLN 80 -3.100 6.670 3.913 595 HE22 GLN 80 2HE2 GLN 80 -4.541 5.923 3.323 596 H VAL 81 H VAL 81 1.926 3.662 0.080 597 HA VAL 81 HA VAL 81 2.949 1.451 1.728 598 HB VAL 81 HB VAL 81 3.830 2.343 -1.021 599 HG11 VAL 81 1HG1 VAL 81 5.322 0.519 -1.051 600 HG12 VAL 81 2HG1 VAL 81 5.576 1.309 0.506 601 HG13 VAL 81 3HG1 VAL 81 4.628 -0.176 0.413 602 HG21 VAL 81 1HG2 VAL 81 1.845 1.305 -1.480 603 HG22 VAL 81 2HG2 VAL 81 2.916 -0.097 -1.459 604 HG23 VAL 81 3HG2 VAL 81 1.924 0.276 -0.049 605 H ARG 82 H ARG 82 4.526 1.858 3.122 606 HA ARG 82 HA ARG 82 6.258 4.194 2.646 607 HB2 ARG 82 1HB ARG 82 6.240 4.747 4.937 608 HB3 ARG 82 2HB ARG 82 4.561 4.409 4.540 609 HG2 ARG 82 1HG ARG 82 4.702 2.235 5.555 610 HG3 ARG 82 2HG ARG 82 6.433 2.438 5.830 611 HD2 ARG 82 1HD ARG 82 5.921 4.382 7.284 612 HD3 ARG 82 2HD ARG 82 4.204 4.039 7.077 613 HE ARG 82 HE ARG 82 5.570 1.744 8.014 614 HH11 ARG 82 2HH1 ARG 82 4.395 4.853 9.049 615 HH12 ARG 82 1HH1 ARG 82 4.191 4.372 10.701 616 HH21 ARG 82 2HH2 ARG 82 5.305 1.098 10.186 617 HH22 ARG 82 1HH2 ARG 82 4.709 2.235 11.346 618 H ALA 83 H ALA 83 8.413 4.046 3.523 619 HA ALA 83 HA ALA 83 9.352 1.259 3.698 620 HB1 ALA 83 1HB ALA 83 11.029 3.620 2.887 621 HB2 ALA 83 2HB ALA 83 11.381 1.904 2.676 622 HB3 ALA 83 3HB ALA 83 10.100 2.664 1.732 623 H ARG 84 H ARG 84 11.223 0.859 5.068 624 HA ARG 84 HA ARG 84 11.606 2.815 7.220 625 HB2 ARG 84 1HB ARG 84 11.225 1.254 8.945 626 HB3 ARG 84 2HB ARG 84 9.884 1.038 7.828 627 HG2 ARG 84 1HG ARG 84 11.356 -0.832 6.808 628 HG3 ARG 84 2HG ARG 84 12.219 -0.751 8.345 629 HD2 ARG 84 1HD ARG 84 9.760 -0.867 9.313 630 HD3 ARG 84 2HD ARG 84 9.441 -1.638 7.760 631 HE ARG 84 HE ARG 84 10.434 -3.507 8.588 632 HH11 ARG 84 2HH1 ARG 84 11.696 -0.753 10.303 633 HH12 ARG 84 1HH1 ARG 84 12.680 -1.702 11.368 634 HH21 ARG 84 2HH2 ARG 84 11.725 -4.768 9.984 635 HH22 ARG 84 1HH2 ARG 84 12.696 -3.985 11.184 636 H SER 85 H SER 85 13.630 2.825 8.141 637 HA SER 85 HA SER 85 15.576 0.882 7.092 638 HB2 SER 85 1HB SER 85 17.223 2.667 6.831 639 HB3 SER 85 2HB SER 85 15.785 3.033 5.879 640 HG SER 85 HG SER 85 16.691 4.213 8.265 641 H GLU 86 H GLU 86 17.736 1.157 8.372 642 HA GLU 86 HA GLU 86 17.533 0.184 10.864 643 HB2 GLU 86 1HB GLU 86 19.591 1.964 9.624 644 HB3 GLU 86 2HB GLU 86 19.732 1.559 11.329 645 HG2 GLU 86 1HG GLU 86 19.426 -0.537 9.206 646 HG3 GLU 86 2HG GLU 86 20.996 0.105 9.685 647 H ALA 87 H ALA 87 17.574 3.647 10.085 648 HA ALA 87 HA ALA 87 17.504 4.691 12.650 649 HB1 ALA 87 1HB ALA 87 16.429 6.672 11.638 650 HB2 ALA 87 2HB ALA 87 17.821 6.101 10.717 651 HB3 ALA 87 3HB ALA 87 16.188 5.751 10.153 652 H GLY 88 H GLY 88 14.681 4.095 10.538 653 HA2 GLY 88 1HA GLY 88 13.081 2.853 12.434 654 HA3 GLY 88 2HA GLY 88 12.787 4.578 12.599 655 H TYR 89 H TYR 89 10.717 4.643 11.848 656 HA TYR 89 HA TYR 89 10.170 3.522 9.197 657 HB2 TYR 89 1HB TYR 89 8.475 4.302 11.529 658 HB3 TYR 89 2HB TYR 89 7.760 4.342 9.921 659 HD1 TYR 89 2HD TYR 89 7.855 2.206 8.524 660 HD2 TYR 89 1HD TYR 89 8.665 2.282 12.700 661 HE1 TYR 89 2HE TYR 89 7.443 -0.216 8.642 662 HE2 TYR 89 1HE TYR 89 8.257 -0.141 12.829 663 HH TYR 89 HH TYR 89 8.423 -2.134 10.992 664 H GLY 90 H GLY 90 9.939 4.766 7.447 665 HA2 GLY 90 1HA GLY 90 10.322 7.629 7.716 666 HA3 GLY 90 2HA GLY 90 10.283 6.715 6.215 667 HA PRO 91 HA PRO 91 6.288 9.127 6.880 668 HB2 PRO 91 1HB PRO 91 6.542 10.759 4.726 669 HB3 PRO 91 2HB PRO 91 7.176 11.171 6.323 670 HG2 PRO 91 1HG PRO 91 8.610 10.048 3.948 671 HG3 PRO 91 2HG PRO 91 9.122 11.330 5.061 672 HD2 PRO 91 1HD PRO 91 10.033 8.787 5.251 673 HD3 PRO 91 2HD PRO 91 9.813 9.831 6.670 674 H PHE 92 H PHE 92 4.409 8.698 5.774 675 HA PHE 92 HA PHE 92 4.428 6.528 3.947 676 HB2 PHE 92 1HB PHE 92 2.353 8.279 5.166 677 HB3 PHE 92 2HB PHE 92 1.911 7.389 3.713 678 HD1 PHE 92 1HD PHE 92 2.273 4.864 3.719 679 HD2 PHE 92 2HD PHE 92 2.316 7.246 7.246 680 HE1 PHE 92 1HE PHE 92 1.852 2.855 5.077 681 HE2 PHE 92 2HE PHE 92 1.896 5.241 8.609 682 HZ PHE 92 HZ PHE 92 1.665 3.042 7.525 683 H GLY 93 H GLY 93 4.438 6.481 1.782 684 HA2 GLY 93 1HA GLY 93 5.116 8.748 0.271 685 HA3 GLY 93 2HA GLY 93 4.578 7.210 -0.389 686 H GLN 94 H GLN 94 3.929 9.636 -1.578 687 HA GLN 94 HA GLN 94 1.571 10.863 -0.878 688 HB2 GLN 94 1HB GLN 94 2.924 10.326 -3.479 689 HB3 GLN 94 2HB GLN 94 1.274 10.936 -3.518 690 HG2 GLN 94 1HG GLN 94 3.369 12.301 -1.878 691 HG3 GLN 94 2HG GLN 94 3.232 12.604 -3.609 692 HE21 GLN 94 1HE2 GLN 94 2.211 14.430 -3.964 693 HE22 GLN 94 2HE2 GLN 94 0.826 15.011 -3.110 694 H GLU 95 H GLU 95 -0.228 9.859 -0.240 695 HA GLU 95 HA GLU 95 -1.141 7.376 -0.582 696 HB2 GLU 95 1HB GLU 95 -3.383 8.152 -0.261 697 HB3 GLU 95 2HB GLU 95 -2.316 9.215 0.644 698 HG2 GLU 95 1HG GLU 95 -2.411 10.657 -1.542 699 HG3 GLU 95 2HG GLU 95 -3.908 9.764 -1.806 700 H HIS 96 H HIS 96 -2.372 6.181 -2.046 701 HA HIS 96 HA HIS 96 -2.471 7.268 -4.784 702 HB2 HIS 96 1HB HIS 96 -0.710 5.552 -4.534 703 HB3 HIS 96 2HB HIS 96 -1.924 4.403 -3.980 704 HD1 HIS 96 1HD HIS 96 -3.300 3.217 -5.742 705 HD2 HIS 96 2HD HIS 96 -0.893 6.220 -7.307 706 HE1 HIS 96 1HE HIS 96 -3.417 2.939 -8.239 707 HE2 HIS 96 2HE HIS 96 -1.886 4.714 -9.161 708 H HIS 97 H HIS 97 -4.120 6.289 -6.176 709 HA HIS 97 HA HIS 97 -6.432 5.275 -4.660 710 HB2 HIS 97 1HB HIS 97 -6.963 7.549 -5.128 711 HB3 HIS 97 2HB HIS 97 -6.372 7.420 -6.782 712 HD1 HIS 97 1HD HIS 97 -8.283 7.522 -8.331 713 HD2 HIS 97 2HD HIS 97 -9.210 5.384 -4.891 714 HE1 HIS 97 1HE HIS 97 -10.645 6.721 -8.653 715 HE2 HIS 97 2HE HIS 97 -11.214 5.503 -6.523 716 H SER 98 H SER 98 -6.385 3.175 -5.265 717 HA SER 98 HA SER 98 -5.707 2.295 -7.884 718 HB2 SER 98 1HB SER 98 -5.477 0.926 -5.782 719 HB3 SER 98 2HB SER 98 -7.232 0.748 -5.778 720 HG SER 98 HG SER 98 -6.685 0.033 -8.129 721 H GLN 99 H GLN 99 -7.043 1.400 -9.484 722 HA GLN 99 HA GLN 99 -9.866 2.231 -9.318 723 HB2 GLN 99 1HB GLN 99 -9.787 2.499 -11.781 724 HB3 GLN 99 2HB GLN 99 -8.696 3.590 -10.939 725 HG2 GLN 99 1HG GLN 99 -6.969 1.648 -11.387 726 HG3 GLN 99 2HG GLN 99 -8.089 1.280 -12.698 727 HE21 GLN 99 1HE2 GLN 99 -6.593 4.154 -11.239 728 HE22 GLN 99 2HE2 GLN 99 -6.148 4.891 -12.737 729 H THR 100 H THR 100 -10.478 0.190 -8.486 730 HA THR 100 HA THR 100 -9.879 -2.246 -9.842 731 HB THR 100 HB THR 100 -11.743 -3.184 -8.409 732 HG1 THR 100 1HG THR 100 -12.414 -1.701 -6.705 733 HG21 THR 100 1HG2 THR 100 -10.372 -2.275 -6.228 734 HG22 THR 100 2HG2 THR 100 -9.219 -1.977 -7.529 735 HG23 THR 100 3HG2 THR 100 -9.851 -3.602 -7.265 736 H GLN 101 H GLN 101 -10.470 -1.784 -12.020 737 HA GLN 101 HA GLN 101 -11.851 -1.680 -13.834 738 HB2 GLN 101 1HB GLN 101 -13.227 -3.554 -11.946 739 HB3 GLN 101 2HB GLN 101 -14.002 -3.129 -13.467 740 HG2 GLN 101 1HG GLN 101 -11.719 -3.806 -14.508 741 HG3 GLN 101 2HG GLN 101 -11.492 -4.664 -12.985 742 HE21 GLN 101 1HE2 GLN 101 -11.509 -6.650 -14.062 743 HE22 GLN 101 2HE2 GLN 101 -12.974 -7.352 -14.651 744 H LEU 102 H LEU 102 -12.067 0.563 -12.180 745 HA LEU 102 HA LEU 102 -14.942 1.185 -12.288 746 HB2 LEU 102 1HB LEU 102 -12.729 2.067 -10.510 747 HB3 LEU 102 2HB LEU 102 -14.029 3.208 -10.847 748 HG LEU 102 HG LEU 102 -14.749 0.478 -9.897 749 HD11 LEU 102 1HD1 LEU 102 -14.492 2.225 -7.661 750 HD12 LEU 102 2HD1 LEU 102 -12.935 2.113 -8.482 751 HD13 LEU 102 3HD1 LEU 102 -13.748 0.648 -7.930 752 HD21 LEU 102 1HD2 LEU 102 -15.949 3.006 -8.910 753 HD22 LEU 102 2HD2 LEU 102 -16.709 1.458 -9.280 754 HD23 LEU 102 3HD2 LEU 102 -16.253 2.551 -10.587 755 H ASP 103 H ASP 103 -11.764 2.738 -12.740 756 HA ASP 103 HA ASP 103 -12.709 3.972 -15.189 757 HB2 ASP 103 1HB ASP 103 -11.962 6.250 -14.426 758 HB3 ASP 103 2HB ASP 103 -13.420 5.653 -13.639 759 H SER 104 H SER 104 -10.867 5.371 -16.141 760 HA SER 104 HA SER 104 -8.400 3.810 -15.869 761 HB2 SER 104 1HB SER 104 -9.550 4.064 -18.120 762 HB3 SER 104 2HB SER 104 -9.076 5.762 -18.074 763 HG SER 104 HG SER 104 -7.391 4.880 -19.064 764 H GLY 105 H GLY 105 -6.349 5.124 -16.362 765 HA2 GLY 105 1HA GLY 105 -6.495 7.707 -14.935 766 HA3 GLY 105 2HA GLY 105 -5.222 6.537 -14.621 767 HA PRO 106 HA PRO 106 -4.537 8.510 -19.020 768 HB2 PRO 106 1HB PRO 106 -5.649 10.970 -19.310 769 HB3 PRO 106 2HB PRO 106 -6.477 9.480 -19.778 770 HG2 PRO 106 1HG PRO 106 -6.785 11.117 -17.291 771 HG3 PRO 106 2HG PRO 106 -8.036 10.361 -18.296 772 HD2 PRO 106 1HD PRO 106 -7.173 9.267 -15.974 773 HD3 PRO 106 2HD PRO 106 -7.719 8.284 -17.348 774 H SER 107 H SER 107 -3.412 10.689 -19.679 775 HA SER 107 HA SER 107 -2.224 12.043 -17.380 776 HB2 SER 107 1HB SER 107 -0.860 9.951 -18.170 777 HB3 SER 107 2HB SER 107 -0.371 11.002 -19.498 778 HG SER 107 HG SER 107 0.769 12.197 -18.156 779 H SER 108 H SER 108 -1.175 14.024 -17.906 780 HA SER 108 HA SER 108 -1.451 16.092 -18.908 781 HB2 SER 108 1HB SER 108 -0.238 14.549 -21.210 782 HB3 SER 108 2HB SER 108 -0.066 16.272 -20.879 783 HG SER 108 HG SER 108 0.783 15.296 -18.725 784 H GLY 109 H GLY 109 -3.889 14.800 -19.035 785 HA2 GLY 109 1HA GLY 109 -4.831 15.543 -21.736 786 HA3 GLY 109 2HA GLY 109 -5.507 14.196 -20.832 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.829 22.679 11.827 2 HA2 GLY 1 1HA GLY 1 8.314 22.406 14.516 3 HA3 GLY 1 2HA GLY 1 6.576 22.198 14.356 4 H SER 2 H SER 2 8.787 20.322 15.111 5 HA SER 2 HA SER 2 9.510 18.194 14.677 6 HB2 SER 2 1HB SER 2 6.646 18.029 13.710 7 HB3 SER 2 2HB SER 2 7.672 16.633 14.038 8 HG SER 2 HG SER 2 6.265 17.290 15.800 9 H SER 3 H SER 3 10.315 19.940 12.679 10 HA SER 3 HA SER 3 9.711 18.801 10.098 11 HB2 SER 3 1HB SER 3 11.333 20.448 9.243 12 HB3 SER 3 2HB SER 3 10.151 21.207 10.310 13 HG SER 3 HG SER 3 11.899 21.944 11.240 14 H GLY 4 H GLY 4 11.772 18.415 8.647 15 HA2 GLY 4 1HA GLY 4 13.696 17.202 8.230 16 HA3 GLY 4 2HA GLY 4 14.000 17.165 9.961 17 H SER 5 H SER 5 12.893 15.427 7.251 18 HA SER 5 HA SER 5 11.349 13.443 8.558 19 HB2 SER 5 1HB SER 5 11.704 12.123 6.484 20 HB3 SER 5 2HB SER 5 11.179 13.774 6.151 21 HG SER 5 HG SER 5 13.906 13.018 6.177 22 H SER 6 H SER 6 11.923 11.679 9.666 23 HA SER 6 HA SER 6 14.792 11.126 9.954 24 HB2 SER 6 1HB SER 6 14.093 9.891 12.022 25 HB3 SER 6 2HB SER 6 13.709 11.612 12.055 26 HG SER 6 HG SER 6 11.784 10.895 12.532 27 H GLY 7 H GLY 7 15.190 9.800 8.208 28 HA2 GLY 7 1HA GLY 7 15.380 7.267 8.093 29 HA3 GLY 7 2HA GLY 7 13.623 7.302 8.077 30 HA PRO 8 HA PRO 8 14.984 7.162 3.681 31 HB2 PRO 8 1HB PRO 8 13.016 5.463 2.901 32 HB3 PRO 8 2HB PRO 8 14.545 4.908 3.593 33 HG2 PRO 8 1HG PRO 8 11.879 5.243 4.913 34 HG3 PRO 8 2HG PRO 8 13.048 3.919 5.072 35 HD2 PRO 8 1HD PRO 8 12.816 5.887 6.917 36 HD3 PRO 8 2HD PRO 8 14.361 5.090 6.561 37 HA PRO 9 HA PRO 9 12.077 10.079 2.135 38 HB2 PRO 9 1HB PRO 9 12.111 9.520 -0.522 39 HB3 PRO 9 2HB PRO 9 13.454 10.313 0.310 40 HG2 PRO 9 1HG PRO 9 13.138 7.438 -0.463 41 HG3 PRO 9 2HG PRO 9 14.564 8.483 -0.598 42 HD2 PRO 9 1HD PRO 9 14.259 6.687 1.405 43 HD3 PRO 9 2HD PRO 9 15.122 8.223 1.623 44 H ALA 10 H ALA 10 9.960 10.338 1.341 45 HA ALA 10 HA ALA 10 8.165 8.258 1.898 46 HB1 ALA 10 1HB ALA 10 7.914 10.927 0.583 47 HB2 ALA 10 2HB ALA 10 6.551 9.808 0.562 48 HB3 ALA 10 3HB ALA 10 7.221 10.351 2.100 49 H VAL 11 H VAL 11 7.682 6.506 0.764 50 HA VAL 11 HA VAL 11 8.709 5.701 -1.615 51 HB VAL 11 HB VAL 11 5.881 5.061 -0.775 52 HG11 VAL 11 1HG1 VAL 11 6.869 4.355 -3.065 53 HG12 VAL 11 2HG1 VAL 11 7.795 3.192 -2.115 54 HG13 VAL 11 3HG1 VAL 11 6.032 3.154 -2.082 55 HG21 VAL 11 1HG2 VAL 11 8.405 4.495 0.532 56 HG22 VAL 11 2HG2 VAL 11 6.757 4.249 1.109 57 HG23 VAL 11 3HG2 VAL 11 7.534 3.021 0.111 58 H SER 12 H SER 12 8.490 6.198 -3.701 59 HA SER 12 HA SER 12 6.138 7.764 -4.532 60 HB2 SER 12 1HB SER 12 7.438 9.278 -5.749 61 HB3 SER 12 2HB SER 12 8.398 9.034 -4.289 62 HG SER 12 HG SER 12 9.042 8.516 -6.850 63 H ASP 13 H ASP 13 6.187 7.865 -7.094 64 HA ASP 13 HA ASP 13 5.602 6.632 -8.930 65 HB2 ASP 13 1HB ASP 13 8.380 5.722 -8.242 66 HB3 ASP 13 2HB ASP 13 7.535 5.033 -9.626 67 H ILE 14 H ILE 14 4.151 5.663 -6.957 68 HA ILE 14 HA ILE 14 4.575 2.794 -6.703 69 HB ILE 14 HB ILE 14 2.457 4.600 -5.534 70 HG12 ILE 14 1HG1 ILE 14 4.596 3.087 -4.052 71 HG13 ILE 14 2HG1 ILE 14 4.906 4.685 -4.723 72 HG21 ILE 14 1HG2 ILE 14 2.942 1.685 -4.942 73 HG22 ILE 14 2HG2 ILE 14 1.688 2.716 -4.255 74 HG23 ILE 14 3HG2 ILE 14 1.643 2.295 -5.966 75 HD11 ILE 14 1HD1 ILE 14 3.230 3.881 -2.424 76 HD12 ILE 14 2HD1 ILE 14 4.275 5.287 -2.637 77 HD13 ILE 14 3HD1 ILE 14 2.683 5.248 -3.394 78 H ARG 15 H ARG 15 4.091 1.798 -8.594 79 HA ARG 15 HA ARG 15 1.616 2.473 -9.985 80 HB2 ARG 15 1HB ARG 15 3.905 2.054 -11.114 81 HB3 ARG 15 2HB ARG 15 3.565 0.351 -10.839 82 HG2 ARG 15 1HG ARG 15 1.631 0.430 -12.219 83 HG3 ARG 15 2HG ARG 15 1.705 2.190 -12.321 84 HD2 ARG 15 1HD ARG 15 3.629 2.134 -13.678 85 HD3 ARG 15 2HD ARG 15 3.938 0.439 -13.305 86 HE ARG 15 HE ARG 15 1.431 0.771 -14.601 87 HH11 ARG 15 2HH1 ARG 15 4.864 0.686 -15.176 88 HH12 ARG 15 1HH1 ARG 15 4.708 0.158 -16.819 89 HH21 ARG 15 2HH2 ARG 15 1.212 0.077 -16.763 90 HH22 ARG 15 1HH2 ARG 15 2.630 -0.187 -17.721 91 H VAL 16 H VAL 16 0.084 0.833 -10.587 92 HA VAL 16 HA VAL 16 0.027 -1.444 -8.714 93 HB VAL 16 HB VAL 16 -2.242 0.292 -9.674 94 HG11 VAL 16 1HG1 VAL 16 -3.611 -1.352 -8.213 95 HG12 VAL 16 2HG1 VAL 16 -3.214 -1.803 -9.872 96 HG13 VAL 16 3HG1 VAL 16 -2.286 -2.472 -8.529 97 HG21 VAL 16 1HG2 VAL 16 -1.435 1.287 -7.769 98 HG22 VAL 16 2HG2 VAL 16 -2.618 0.176 -7.079 99 HG23 VAL 16 3HG2 VAL 16 -0.904 -0.240 -7.063 100 H THR 17 H THR 17 0.855 -2.966 -10.114 101 HA THR 17 HA THR 17 -0.582 -3.399 -12.641 102 HB THR 17 HB THR 17 1.890 -3.160 -12.776 103 HG1 THR 17 1HG THR 17 1.548 -4.396 -14.451 104 HG21 THR 17 1HG2 THR 17 2.219 -4.376 -10.533 105 HG22 THR 17 2HG2 THR 17 3.373 -4.703 -11.825 106 HG23 THR 17 3HG2 THR 17 2.088 -5.860 -11.476 107 H ARG 18 H ARG 18 -0.786 -5.752 -13.284 108 HA ARG 18 HA ARG 18 -1.779 -7.770 -12.939 109 HB2 ARG 18 1HB ARG 18 0.499 -7.896 -11.600 110 HB3 ARG 18 2HB ARG 18 -0.579 -7.965 -10.213 111 HG2 ARG 18 1HG ARG 18 -0.315 -10.188 -10.645 112 HG3 ARG 18 2HG ARG 18 -1.749 -9.847 -11.617 113 HD2 ARG 18 1HD ARG 18 -0.425 -11.033 -13.095 114 HD3 ARG 18 2HD ARG 18 -0.041 -9.361 -13.506 115 HE ARG 18 HE ARG 18 2.109 -9.798 -12.913 116 HH11 ARG 18 2HH1 ARG 18 0.038 -12.042 -11.241 117 HH12 ARG 18 1HH1 ARG 18 1.348 -12.906 -10.507 118 HH21 ARG 18 2HH2 ARG 18 3.843 -10.929 -11.953 119 HH22 ARG 18 1HH2 ARG 18 3.512 -12.272 -10.913 120 H SER 19 H SER 19 -3.461 -5.726 -12.432 121 HA SER 19 HA SER 19 -4.634 -5.774 -9.846 122 HB2 SER 19 1HB SER 19 -6.542 -4.592 -10.987 123 HB3 SER 19 2HB SER 19 -4.968 -3.835 -11.229 124 HG SER 19 HG SER 19 -6.662 -4.971 -13.051 125 H SER 20 H SER 20 -6.388 -6.868 -9.062 126 HA SER 20 HA SER 20 -7.554 -8.939 -10.801 127 HB2 SER 20 1HB SER 20 -6.436 -9.192 -8.025 128 HB3 SER 20 2HB SER 20 -7.721 -10.273 -8.562 129 HG SER 20 HG SER 20 -5.127 -9.956 -9.646 130 HA PRO 21 HA PRO 21 -11.517 -7.549 -9.534 131 HB2 PRO 21 1HB PRO 21 -12.921 -9.872 -9.462 132 HB3 PRO 21 2HB PRO 21 -12.402 -9.109 -10.970 133 HG2 PRO 21 1HG PRO 21 -11.160 -11.384 -9.473 134 HG3 PRO 21 2HG PRO 21 -11.423 -11.204 -11.217 135 HD2 PRO 21 1HD PRO 21 -9.019 -10.757 -10.053 136 HD3 PRO 21 2HD PRO 21 -9.567 -9.864 -11.486 137 H SER 22 H SER 22 -9.995 -10.096 -7.672 138 HA SER 22 HA SER 22 -11.497 -9.192 -5.304 139 HB2 SER 22 1HB SER 22 -10.823 -11.985 -6.189 140 HB3 SER 22 2HB SER 22 -11.071 -11.621 -4.482 141 HG SER 22 HG SER 22 -12.961 -10.806 -6.401 142 H SER 23 H SER 23 -8.818 -8.497 -6.482 143 HA SER 23 HA SER 23 -7.377 -8.383 -4.034 144 HB2 SER 23 1HB SER 23 -5.343 -9.637 -5.145 145 HB3 SER 23 2HB SER 23 -6.591 -10.546 -4.292 146 HG SER 23 HG SER 23 -7.065 -11.490 -6.099 147 H LEU 24 H LEU 24 -5.368 -7.185 -4.233 148 HA LEU 24 HA LEU 24 -5.008 -5.804 -6.794 149 HB2 LEU 24 1HB LEU 24 -5.159 -4.406 -4.128 150 HB3 LEU 24 2HB LEU 24 -4.860 -3.650 -5.692 151 HG LEU 24 HG LEU 24 -7.427 -5.051 -4.957 152 HD11 LEU 24 1HD1 LEU 24 -6.747 -2.908 -3.652 153 HD12 LEU 24 2HD1 LEU 24 -8.367 -3.040 -4.335 154 HD13 LEU 24 3HD1 LEU 24 -7.137 -2.086 -5.163 155 HD21 LEU 24 1HD2 LEU 24 -6.385 -4.315 -7.426 156 HD22 LEU 24 2HD2 LEU 24 -7.523 -3.029 -7.022 157 HD23 LEU 24 3HD2 LEU 24 -8.065 -4.708 -7.060 158 H SER 25 H SER 25 -2.965 -6.009 -7.394 159 HA SER 25 HA SER 25 -0.921 -6.608 -5.409 160 HB2 SER 25 1HB SER 25 -0.865 -8.030 -7.328 161 HB3 SER 25 2HB SER 25 -0.930 -6.655 -8.430 162 HG SER 25 HG SER 25 1.154 -6.529 -8.307 163 H LEU 26 H LEU 26 0.635 -5.241 -4.770 164 HA LEU 26 HA LEU 26 0.770 -2.614 -6.098 165 HB2 LEU 26 1HB LEU 26 1.388 -3.251 -3.219 166 HB3 LEU 26 2HB LEU 26 1.390 -1.655 -3.967 167 HG LEU 26 HG LEU 26 -1.084 -3.358 -3.734 168 HD11 LEU 26 1HD1 LEU 26 -1.665 -2.264 -1.744 169 HD12 LEU 26 2HD1 LEU 26 -0.370 -1.079 -1.914 170 HD13 LEU 26 3HD1 LEU 26 0.014 -2.754 -1.517 171 HD21 LEU 26 1HD2 LEU 26 -2.230 -1.588 -4.566 172 HD22 LEU 26 2HD2 LEU 26 -0.680 -1.264 -5.342 173 HD23 LEU 26 3HD2 LEU 26 -1.127 -0.402 -3.869 174 H ALA 27 H ALA 27 2.846 -1.557 -6.128 175 HA ALA 27 HA ALA 27 5.231 -2.917 -5.379 176 HB1 ALA 27 1HB ALA 27 5.561 -2.715 -8.200 177 HB2 ALA 27 2HB ALA 27 5.674 -4.145 -7.172 178 HB3 ALA 27 3HB ALA 27 4.121 -3.678 -7.866 179 H TRP 28 H TRP 28 6.702 -1.398 -4.996 180 HA TRP 28 HA TRP 28 6.429 1.184 -6.388 181 HB2 TRP 28 1HB TRP 28 7.897 1.875 -4.267 182 HB3 TRP 28 2HB TRP 28 6.137 1.822 -4.213 183 HD1 TRP 28 HD TRP 28 8.997 0.719 -2.279 184 HE1 TRP 28 1HE TRP 28 8.373 -1.186 -0.665 185 HE3 TRP 28 3HE TRP 28 4.479 -0.594 -4.280 186 HZ2 TRP 28 2HZ TRP 28 6.247 -3.005 -0.290 187 HZ3 TRP 28 3HZ TRP 28 3.214 -2.427 -3.235 188 HH2 TRP 28 HH TRP 28 4.082 -3.607 -1.281 189 H ALA 29 H ALA 29 8.552 2.432 -6.467 190 HA ALA 29 HA ALA 29 10.584 0.645 -7.570 191 HB1 ALA 29 1HB ALA 29 9.808 2.482 -8.977 192 HB2 ALA 29 2HB ALA 29 10.329 3.645 -7.757 193 HB3 ALA 29 3HB ALA 29 11.522 2.653 -8.596 194 H VAL 30 H VAL 30 12.171 0.013 -6.273 195 HA VAL 30 HA VAL 30 12.802 0.691 -3.767 196 HB VAL 30 HB VAL 30 14.901 0.212 -5.888 197 HG11 VAL 30 1HG1 VAL 30 16.434 -0.014 -4.263 198 HG12 VAL 30 2HG1 VAL 30 15.311 0.948 -3.301 199 HG13 VAL 30 3HG1 VAL 30 15.304 -0.811 -3.170 200 HG21 VAL 30 1HG2 VAL 30 14.069 -1.835 -6.100 201 HG22 VAL 30 2HG2 VAL 30 14.361 -2.117 -4.384 202 HG23 VAL 30 3HG2 VAL 30 12.810 -1.472 -4.920 203 HA PRO 31 HA PRO 31 13.708 5.096 -4.388 204 HB2 PRO 31 1HB PRO 31 13.267 5.762 -1.794 205 HB3 PRO 31 2HB PRO 31 11.963 5.573 -2.972 206 HG2 PRO 31 1HG PRO 31 12.942 3.643 -0.903 207 HG3 PRO 31 2HG PRO 31 11.276 4.046 -1.358 208 HD2 PRO 31 1HD PRO 31 12.526 1.812 -2.239 209 HD3 PRO 31 2HD PRO 31 11.316 2.674 -3.210 210 H ARG 32 H ARG 32 15.253 6.565 -3.276 211 HA ARG 32 HA ARG 32 17.577 5.040 -2.322 212 HB2 ARG 32 1HB ARG 32 17.252 7.538 -3.911 213 HB3 ARG 32 2HB ARG 32 18.660 7.411 -2.866 214 HG2 ARG 32 1HG ARG 32 19.376 6.642 -4.954 215 HG3 ARG 32 2HG ARG 32 19.109 5.182 -3.999 216 HD2 ARG 32 1HD ARG 32 16.757 5.186 -5.038 217 HD3 ARG 32 2HD ARG 32 17.428 6.325 -6.204 218 HE ARG 32 HE ARG 32 17.955 3.497 -6.033 219 HH11 ARG 32 2HH1 ARG 32 19.083 6.577 -7.201 220 HH12 ARG 32 1HH1 ARG 32 20.062 5.890 -8.454 221 HH21 ARG 32 2HH2 ARG 32 19.240 2.581 -7.679 222 HH22 ARG 32 1HH2 ARG 32 20.150 3.617 -8.726 223 H ALA 33 H ALA 33 17.853 5.058 -0.197 224 HA ALA 33 HA ALA 33 16.907 7.363 1.354 225 HB1 ALA 33 1HB ALA 33 16.912 5.935 3.274 226 HB2 ALA 33 2HB ALA 33 16.101 5.083 1.959 227 HB3 ALA 33 3HB ALA 33 17.759 4.665 2.390 228 HA PRO 34 HA PRO 34 21.012 8.767 2.098 229 HB2 PRO 34 1HB PRO 34 20.593 10.123 4.413 230 HB3 PRO 34 2HB PRO 34 20.050 10.718 2.840 231 HG2 PRO 34 1HG PRO 34 18.496 9.296 4.967 232 HG3 PRO 34 2HG PRO 34 18.027 10.696 3.986 233 HD2 PRO 34 1HD PRO 34 17.182 8.183 3.435 234 HD3 PRO 34 2HD PRO 34 17.466 9.394 2.168 235 H SER 35 H SER 35 19.272 6.899 4.480 236 HA SER 35 HA SER 35 21.772 6.300 5.899 237 HB2 SER 35 1HB SER 35 19.888 7.042 7.297 238 HB3 SER 35 2HB SER 35 18.908 5.708 6.688 239 HG SER 35 HG SER 35 21.373 5.366 8.048 240 H GLY 36 H GLY 36 22.671 4.857 4.407 241 HA2 GLY 36 1HA GLY 36 23.106 2.774 3.547 242 HA3 GLY 36 2HA GLY 36 21.997 2.147 4.757 243 H ALA 37 H ALA 37 20.350 1.048 3.953 244 HA ALA 37 HA ALA 37 18.996 2.010 1.557 245 HB1 ALA 37 1HB ALA 37 19.714 -0.891 1.654 246 HB2 ALA 37 2HB ALA 37 19.260 0.106 0.271 247 HB3 ALA 37 3HB ALA 37 20.854 0.288 1.003 248 H VAL 38 H VAL 38 16.841 1.480 1.466 249 HA VAL 38 HA VAL 38 15.365 1.131 3.713 250 HB VAL 38 HB VAL 38 14.566 -0.053 1.053 251 HG11 VAL 38 1HG1 VAL 38 13.014 -0.681 2.732 252 HG12 VAL 38 2HG1 VAL 38 13.013 0.938 3.433 253 HG13 VAL 38 3HG1 VAL 38 12.284 0.661 1.851 254 HG21 VAL 38 1HG2 VAL 38 14.772 2.770 1.978 255 HG22 VAL 38 2HG2 VAL 38 15.101 2.076 0.390 256 HG23 VAL 38 3HG2 VAL 38 13.436 2.319 0.918 257 H LEU 39 H LEU 39 14.134 -0.654 4.584 258 HA LEU 39 HA LEU 39 15.507 -3.242 4.262 259 HB2 LEU 39 1HB LEU 39 14.173 -2.174 6.745 260 HB3 LEU 39 2HB LEU 39 15.028 -3.707 6.592 261 HG LEU 39 HG LEU 39 16.348 -1.015 6.275 262 HD11 LEU 39 1HD1 LEU 39 17.320 -1.906 8.589 263 HD12 LEU 39 2HD1 LEU 39 15.710 -2.616 8.681 264 HD13 LEU 39 3HD1 LEU 39 15.894 -0.873 8.491 265 HD21 LEU 39 1HD2 LEU 39 17.371 -3.080 5.219 266 HD22 LEU 39 2HD2 LEU 39 17.601 -3.686 6.859 267 HD23 LEU 39 3HD2 LEU 39 18.390 -2.192 6.352 268 H ASP 40 H ASP 40 12.444 -1.959 5.573 269 HA ASP 40 HA ASP 40 11.005 -3.945 3.961 270 HB2 ASP 40 1HB ASP 40 10.144 -3.388 6.784 271 HB3 ASP 40 2HB ASP 40 9.740 -4.757 5.753 272 H TYR 41 H TYR 41 8.489 -3.467 4.374 273 HA TYR 41 HA TYR 41 8.043 -0.571 4.369 274 HB2 TYR 41 1HB TYR 41 7.024 -2.438 2.217 275 HB3 TYR 41 2HB TYR 41 6.669 -0.719 2.346 276 HD1 TYR 41 1HD TYR 41 9.393 -3.162 1.763 277 HD2 TYR 41 2HD TYR 41 8.150 0.896 1.464 278 HE1 TYR 41 1HE TYR 41 11.385 -2.658 0.410 279 HE2 TYR 41 2HE TYR 41 10.137 1.411 0.109 280 HH TYR 41 HH TYR 41 11.726 0.135 -1.388 281 H GLU 42 H GLU 42 5.600 -0.119 4.258 282 HA GLU 42 HA GLU 42 4.069 -2.194 5.658 283 HB2 GLU 42 1HB GLU 42 5.101 -0.455 7.236 284 HB3 GLU 42 2HB GLU 42 3.969 0.687 6.526 285 HG2 GLU 42 1HG GLU 42 3.126 -1.894 7.812 286 HG3 GLU 42 2HG GLU 42 3.241 -0.363 8.678 287 H VAL 43 H VAL 43 2.432 -2.614 4.330 288 HA VAL 43 HA VAL 43 1.314 -0.531 2.640 289 HB VAL 43 HB VAL 43 0.634 -3.467 2.846 290 HG11 VAL 43 1HG1 VAL 43 -0.130 -1.996 0.432 291 HG12 VAL 43 2HG1 VAL 43 -1.026 -3.197 1.362 292 HG13 VAL 43 3HG1 VAL 43 -1.003 -1.513 1.885 293 HG21 VAL 43 1HG2 VAL 43 1.732 -2.730 0.336 294 HG22 VAL 43 2HG2 VAL 43 2.792 -2.103 1.598 295 HG23 VAL 43 3HG2 VAL 43 2.402 -3.822 1.549 296 H LYS 44 H LYS 44 -0.064 0.809 3.629 297 HA LYS 44 HA LYS 44 -2.047 -0.321 5.483 298 HB2 LYS 44 1HB LYS 44 -0.928 1.376 6.629 299 HB3 LYS 44 2HB LYS 44 -0.815 2.399 5.203 300 HG2 LYS 44 1HG LYS 44 -2.922 3.233 5.460 301 HG3 LYS 44 2HG LYS 44 -3.516 1.786 6.276 302 HD2 LYS 44 1HD LYS 44 -2.620 2.422 8.325 303 HD3 LYS 44 2HD LYS 44 -1.466 3.535 7.585 304 HE2 LYS 44 1HE LYS 44 -4.380 4.059 7.257 305 HE3 LYS 44 2HE LYS 44 -3.627 4.415 8.810 306 HZ1 LYS 44 1HZ LYS 44 -3.675 6.302 7.205 307 HZ2 LYS 44 2HZ LYS 44 -2.597 5.442 6.226 308 HZ3 LYS 44 3HZ LYS 44 -2.131 5.917 7.782 309 H TYR 45 H TYR 45 -4.158 -0.296 4.996 310 HA TYR 45 HA TYR 45 -5.165 1.493 2.929 311 HB2 TYR 45 1HB TYR 45 -6.222 -0.311 1.665 312 HB3 TYR 45 2HB TYR 45 -4.476 -0.531 1.706 313 HD1 TYR 45 2HD TYR 45 -3.546 -2.158 3.479 314 HD2 TYR 45 1HD TYR 45 -7.636 -2.048 2.313 315 HE1 TYR 45 2HE TYR 45 -3.849 -4.438 4.349 316 HE2 TYR 45 1HE TYR 45 -7.951 -4.328 3.181 317 HH TYR 45 HH TYR 45 -6.947 -5.861 4.735 318 H HIS 46 H HIS 46 -7.404 1.831 3.014 319 HA HIS 46 HA HIS 46 -9.071 0.390 4.850 320 HB2 HIS 46 1HB HIS 46 -9.395 1.994 6.517 321 HB3 HIS 46 2HB HIS 46 -7.655 2.049 6.249 322 HD1 HIS 46 1HD HIS 46 -10.798 3.997 5.522 323 HD2 HIS 46 2HD HIS 46 -6.673 4.471 5.375 324 HE1 HIS 46 1HE HIS 46 -10.418 6.442 5.071 325 HE2 HIS 46 2HE HIS 46 -7.917 6.689 4.902 326 H GLU 47 H GLU 47 -11.154 0.537 4.248 327 HA GLU 47 HA GLU 47 -11.977 1.526 1.850 328 HB2 GLU 47 1HB GLU 47 -13.215 0.103 3.700 329 HB3 GLU 47 2HB GLU 47 -13.917 1.659 4.117 330 HG2 GLU 47 1HG GLU 47 -14.641 1.881 1.739 331 HG3 GLU 47 2HG GLU 47 -14.100 0.223 1.483 332 H LYS 48 H LYS 48 -12.131 3.484 1.003 333 HA LYS 48 HA LYS 48 -11.557 5.858 2.264 334 HB2 LYS 48 1HB LYS 48 -11.938 5.242 -0.274 335 HB3 LYS 48 2HB LYS 48 -13.549 5.876 0.034 336 HG2 LYS 48 1HG LYS 48 -12.634 8.008 0.687 337 HG3 LYS 48 2HG LYS 48 -10.990 7.383 0.535 338 HD2 LYS 48 1HD LYS 48 -11.423 6.973 -1.874 339 HD3 LYS 48 2HD LYS 48 -13.006 7.730 -1.684 340 HE2 LYS 48 1HE LYS 48 -10.437 9.123 -0.971 341 HE3 LYS 48 2HE LYS 48 -11.144 9.199 -2.584 342 HZ1 LYS 48 1HZ LYS 48 -12.644 9.961 -0.146 343 HZ2 LYS 48 2HZ LYS 48 -13.043 10.288 -1.757 344 HZ3 LYS 48 3HZ LYS 48 -11.727 11.070 -1.037 345 H GLY 49 H GLY 49 -12.580 7.156 3.647 346 HA2 GLY 49 1HA GLY 49 -14.483 8.361 4.418 347 HA3 GLY 49 2HA GLY 49 -15.513 7.101 3.754 348 H ALA 50 H ALA 50 -14.787 4.827 4.815 349 HA ALA 50 HA ALA 50 -15.830 4.740 7.343 350 HB1 ALA 50 1HB ALA 50 -14.774 2.894 5.582 351 HB2 ALA 50 2HB ALA 50 -13.762 2.729 7.018 352 HB3 ALA 50 3HB ALA 50 -15.511 2.544 7.146 353 H GLU 51 H GLU 51 -15.184 5.889 9.049 354 HA GLU 51 HA GLU 51 -12.327 6.290 9.526 355 HB2 GLU 51 1HB GLU 51 -14.102 8.165 9.597 356 HB3 GLU 51 2HB GLU 51 -14.550 7.489 11.156 357 HG2 GLU 51 1HG GLU 51 -13.061 9.270 11.578 358 HG3 GLU 51 2HG GLU 51 -12.168 7.778 11.866 359 H GLY 52 H GLY 52 -11.252 5.498 11.274 360 HA2 GLY 52 1HA GLY 52 -11.913 4.726 13.711 361 HA3 GLY 52 2HA GLY 52 -12.633 3.414 12.789 362 HA PRO 53 HA PRO 53 -7.969 2.820 13.659 363 HB2 PRO 53 1HB PRO 53 -8.133 1.145 15.789 364 HB3 PRO 53 2HB PRO 53 -8.018 2.901 15.955 365 HG2 PRO 53 1HG PRO 53 -10.434 1.139 16.096 366 HG3 PRO 53 2HG PRO 53 -9.988 2.511 17.127 367 HD2 PRO 53 1HD PRO 53 -11.796 2.723 15.122 368 HD3 PRO 53 2HD PRO 53 -10.736 4.065 15.598 369 H SER 54 H SER 54 -10.611 0.487 14.178 370 HA SER 54 HA SER 54 -9.137 -1.744 13.210 371 HB2 SER 54 1HB SER 54 -11.312 -2.915 13.236 372 HB3 SER 54 2HB SER 54 -11.032 -2.031 14.736 373 HG SER 54 HG SER 54 -13.150 -1.857 13.364 374 H SER 55 H SER 55 -11.526 0.428 11.763 375 HA SER 55 HA SER 55 -12.089 -0.740 9.386 376 HB2 SER 55 1HB SER 55 -11.374 2.176 9.777 377 HB3 SER 55 2HB SER 55 -12.272 1.520 8.409 378 HG SER 55 HG SER 55 -13.204 0.973 10.986 379 H VAL 56 H VAL 56 -9.134 1.075 10.132 380 HA VAL 56 HA VAL 56 -8.000 0.449 7.532 381 HB VAL 56 HB VAL 56 -7.588 2.664 8.487 382 HG11 VAL 56 1HG1 VAL 56 -7.608 1.944 10.863 383 HG12 VAL 56 2HG1 VAL 56 -6.004 1.249 10.627 384 HG13 VAL 56 3HG1 VAL 56 -6.246 2.988 10.456 385 HG21 VAL 56 1HG2 VAL 56 -5.551 0.822 7.598 386 HG22 VAL 56 2HG2 VAL 56 -5.777 2.525 7.198 387 HG23 VAL 56 3HG2 VAL 56 -4.870 2.070 8.641 388 H ARG 57 H ARG 57 -6.721 -1.230 7.121 389 HA ARG 57 HA ARG 57 -5.864 -2.912 9.357 390 HB2 ARG 57 1HB ARG 57 -6.143 -3.397 6.397 391 HB3 ARG 57 2HB ARG 57 -5.298 -4.526 7.448 392 HG2 ARG 57 1HG ARG 57 -7.397 -5.439 7.400 393 HG3 ARG 57 2HG ARG 57 -7.498 -4.430 8.845 394 HD2 ARG 57 1HD ARG 57 -8.613 -2.688 7.595 395 HD3 ARG 57 2HD ARG 57 -8.413 -3.594 6.096 396 HE ARG 57 HE ARG 57 -9.807 -5.218 7.872 397 HH11 ARG 57 2HH1 ARG 57 -10.252 -2.197 6.199 398 HH12 ARG 57 1HH1 ARG 57 -11.975 -2.349 6.112 399 HH21 ARG 57 2HH2 ARG 57 -12.076 -5.429 7.764 400 HH22 ARG 57 1HH2 ARG 57 -13.012 -4.187 7.003 401 H PHE 58 H PHE 58 -3.720 -4.212 8.507 402 HA PHE 58 HA PHE 58 -1.740 -2.365 7.465 403 HB2 PHE 58 1HB PHE 58 -1.839 -3.245 10.321 404 HB3 PHE 58 2HB PHE 58 -0.270 -3.040 9.548 405 HD1 PHE 58 2HD PHE 58 -3.477 -1.254 10.151 406 HD2 PHE 58 1HD PHE 58 0.717 -0.952 9.490 407 HE1 PHE 58 2HE PHE 58 -3.586 1.166 10.584 408 HE2 PHE 58 1HE PHE 58 0.615 1.468 9.923 409 HZ PHE 58 HZ PHE 58 -1.539 2.530 10.470 410 H LEU 59 H LEU 59 -0.286 -3.416 6.264 411 HA LEU 59 HA LEU 59 0.034 -6.314 6.685 412 HB2 LEU 59 1HB LEU 59 -1.234 -6.115 4.714 413 HB3 LEU 59 2HB LEU 59 -0.269 -4.759 4.135 414 HG LEU 59 HG LEU 59 1.640 -6.597 4.121 415 HD11 LEU 59 1HD1 LEU 59 0.446 -8.433 5.008 416 HD12 LEU 59 2HD1 LEU 59 0.610 -8.741 3.279 417 HD13 LEU 59 3HD1 LEU 59 -0.923 -8.159 3.929 418 HD21 LEU 59 1HD2 LEU 59 0.993 -7.073 1.745 419 HD22 LEU 59 2HD2 LEU 59 1.051 -5.363 2.174 420 HD23 LEU 59 3HD2 LEU 59 -0.503 -6.189 2.045 421 H LYS 60 H LYS 60 2.019 -6.730 7.368 422 HA LYS 60 HA LYS 60 4.203 -4.911 6.750 423 HB2 LYS 60 1HB LYS 60 3.814 -7.182 8.663 424 HB3 LYS 60 2HB LYS 60 5.446 -6.672 8.248 425 HG2 LYS 60 1HG LYS 60 5.216 -4.627 9.275 426 HG3 LYS 60 2HG LYS 60 3.456 -4.637 9.137 427 HD2 LYS 60 1HD LYS 60 3.278 -6.303 10.865 428 HD3 LYS 60 2HD LYS 60 5.033 -6.486 10.925 429 HE2 LYS 60 1HE LYS 60 5.298 -4.272 11.793 430 HE3 LYS 60 2HE LYS 60 3.593 -3.909 11.531 431 HZ1 LYS 60 1HZ LYS 60 3.997 -4.391 13.842 432 HZ2 LYS 60 2HZ LYS 60 4.687 -5.886 13.458 433 HZ3 LYS 60 3HZ LYS 60 3.041 -5.618 13.175 434 H THR 61 H THR 61 5.605 -5.234 5.159 435 HA THR 61 HA THR 61 6.028 -7.973 4.170 436 HB THR 61 HB THR 61 4.751 -7.252 2.407 437 HG1 THR 61 1HG THR 61 6.712 -7.705 1.448 438 HG21 THR 61 1HG2 THR 61 5.887 -4.468 2.703 439 HG22 THR 61 2HG2 THR 61 4.335 -5.005 3.346 440 HG23 THR 61 3HG2 THR 61 4.602 -4.964 1.603 441 H SER 62 H SER 62 8.059 -8.300 3.064 442 HA SER 62 HA SER 62 10.122 -6.376 3.918 443 HB2 SER 62 1HB SER 62 11.638 -8.184 4.260 444 HB3 SER 62 2HB SER 62 10.124 -8.663 5.027 445 HG SER 62 HG SER 62 9.691 -10.000 3.305 446 H GLU 63 H GLU 63 8.707 -6.175 1.453 447 HA GLU 63 HA GLU 63 10.969 -6.235 -0.360 448 HB2 GLU 63 1HB GLU 63 8.393 -7.660 -1.052 449 HB3 GLU 63 2HB GLU 63 9.755 -7.412 -2.136 450 HG2 GLU 63 1HG GLU 63 9.872 -8.988 0.424 451 HG3 GLU 63 2HG GLU 63 9.649 -9.684 -1.180 452 H ASN 64 H ASN 64 10.005 -5.452 -2.658 453 HA ASN 64 HA ASN 64 8.656 -2.934 -2.030 454 HB2 ASN 64 1HB ASN 64 9.667 -2.017 -3.907 455 HB3 ASN 64 2HB ASN 64 10.877 -3.186 -3.389 456 HD21 ASN 64 1HD2 ASN 64 10.621 -2.129 -5.993 457 HD22 ASN 64 2HD2 ASN 64 10.244 -3.434 -7.060 458 H ARG 65 H ARG 65 7.274 -5.556 -2.265 459 HA ARG 65 HA ARG 65 5.145 -4.653 -4.010 460 HB2 ARG 65 1HB ARG 65 5.042 -6.601 -5.380 461 HB3 ARG 65 2HB ARG 65 6.699 -6.016 -5.449 462 HG2 ARG 65 1HG ARG 65 7.084 -7.722 -3.516 463 HG3 ARG 65 2HG ARG 65 5.604 -8.457 -4.137 464 HD2 ARG 65 1HD ARG 65 6.852 -8.198 -6.444 465 HD3 ARG 65 2HD ARG 65 8.282 -8.192 -5.412 466 HE ARG 65 HE ARG 65 7.984 -10.430 -5.059 467 HH11 ARG 65 2HH1 ARG 65 5.028 -9.080 -6.308 468 HH12 ARG 65 1HH1 ARG 65 4.250 -10.617 -6.491 469 HH21 ARG 65 2HH2 ARG 65 6.971 -12.460 -5.296 470 HH22 ARG 65 1HH2 ARG 65 5.356 -12.539 -5.914 471 H ALA 66 H ALA 66 3.149 -5.399 -3.401 472 HA ALA 66 HA ALA 66 2.942 -7.555 -1.459 473 HB1 ALA 66 1HB ALA 66 3.243 -5.811 0.081 474 HB2 ALA 66 2HB ALA 66 2.227 -4.704 -0.843 475 HB3 ALA 66 3HB ALA 66 1.498 -6.061 0.015 476 H GLU 67 H GLU 67 1.122 -8.708 -1.728 477 HA GLU 67 HA GLU 67 -0.907 -7.620 -3.560 478 HB2 GLU 67 1HB GLU 67 0.208 -9.619 -4.402 479 HB3 GLU 67 2HB GLU 67 -0.200 -10.490 -2.930 480 HG2 GLU 67 1HG GLU 67 -2.639 -9.983 -3.554 481 HG3 GLU 67 2HG GLU 67 -1.997 -9.612 -5.154 482 H LEU 68 H LEU 68 -3.043 -7.620 -3.010 483 HA LEU 68 HA LEU 68 -3.679 -8.453 -0.256 484 HB2 LEU 68 1HB LEU 68 -5.099 -6.319 -1.828 485 HB3 LEU 68 2HB LEU 68 -5.244 -6.671 -0.107 486 HG LEU 68 HG LEU 68 -2.621 -5.767 -1.222 487 HD11 LEU 68 1HD1 LEU 68 -4.462 -3.709 -0.166 488 HD12 LEU 68 2HD1 LEU 68 -4.757 -4.279 -1.808 489 HD13 LEU 68 3HD1 LEU 68 -3.193 -3.584 -1.384 490 HD21 LEU 68 1HD2 LEU 68 -2.816 -6.599 1.100 491 HD22 LEU 68 2HD2 LEU 68 -3.977 -5.313 1.433 492 HD23 LEU 68 3HD2 LEU 68 -2.312 -4.911 1.009 493 H ARG 69 H ARG 69 -5.631 -9.493 0.141 494 HA ARG 69 HA ARG 69 -7.155 -10.334 -2.233 495 HB2 ARG 69 1HB ARG 69 -6.558 -12.128 0.120 496 HB3 ARG 69 2HB ARG 69 -7.313 -12.575 -1.404 497 HG2 ARG 69 1HG ARG 69 -5.203 -13.363 -1.747 498 HG3 ARG 69 2HG ARG 69 -5.035 -11.735 -2.406 499 HD2 ARG 69 1HD ARG 69 -3.162 -11.949 -1.050 500 HD3 ARG 69 2HD ARG 69 -4.305 -11.087 -0.020 501 HE ARG 69 HE ARG 69 -4.775 -13.619 0.677 502 HH11 ARG 69 2HH1 ARG 69 -1.790 -11.875 0.263 503 HH12 ARG 69 1HH1 ARG 69 -0.933 -12.801 1.450 504 HH21 ARG 69 2HH2 ARG 69 -3.657 -14.846 2.241 505 HH22 ARG 69 1HH2 ARG 69 -1.995 -14.492 2.573 506 H GLY 70 H GLY 70 -9.370 -10.685 -1.938 507 HA2 GLY 70 1HA GLY 70 -11.411 -10.647 -0.818 508 HA3 GLY 70 2HA GLY 70 -10.554 -10.317 0.680 509 H LEU 71 H LEU 71 -11.283 -8.754 -2.439 510 HA LEU 71 HA LEU 71 -12.066 -6.347 -0.973 511 HB2 LEU 71 1HB LEU 71 -10.271 -6.209 -3.383 512 HB3 LEU 71 2HB LEU 71 -10.763 -4.888 -2.325 513 HG LEU 71 HG LEU 71 -9.122 -7.154 -1.256 514 HD11 LEU 71 1HD1 LEU 71 -7.165 -5.523 -1.716 515 HD12 LEU 71 2HD1 LEU 71 -8.214 -4.888 -2.983 516 HD13 LEU 71 3HD1 LEU 71 -7.726 -6.583 -3.009 517 HD21 LEU 71 1HD2 LEU 71 -10.058 -5.644 0.364 518 HD22 LEU 71 2HD2 LEU 71 -9.464 -4.247 -0.533 519 HD23 LEU 71 3HD2 LEU 71 -8.323 -5.347 0.244 520 H LYS 72 H LYS 72 -12.944 -4.679 -2.673 521 HA LYS 72 HA LYS 72 -14.668 -6.173 -4.539 522 HB2 LYS 72 1HB LYS 72 -15.269 -3.589 -3.087 523 HB3 LYS 72 2HB LYS 72 -16.348 -4.409 -4.209 524 HG2 LYS 72 1HG LYS 72 -17.203 -5.151 -2.239 525 HG3 LYS 72 2HG LYS 72 -16.007 -6.415 -2.533 526 HD2 LYS 72 1HD LYS 72 -14.497 -5.495 -0.982 527 HD3 LYS 72 2HD LYS 72 -15.357 -3.954 -0.934 528 HE2 LYS 72 1HE LYS 72 -17.330 -5.499 -0.083 529 HE3 LYS 72 2HE LYS 72 -15.989 -6.535 0.404 530 HZ1 LYS 72 1HZ LYS 72 -16.974 -4.521 1.880 531 HZ2 LYS 72 2HZ LYS 72 -15.676 -3.753 1.114 532 HZ3 LYS 72 3HZ LYS 72 -15.408 -5.143 2.039 533 H ARG 73 H ARG 73 -14.004 -5.886 -6.562 534 HA ARG 73 HA ARG 73 -12.322 -3.831 -7.451 535 HB2 ARG 73 1HB ARG 73 -12.414 -5.851 -8.711 536 HB3 ARG 73 2HB ARG 73 -14.153 -5.714 -8.931 537 HG2 ARG 73 1HG ARG 73 -13.903 -3.902 -10.447 538 HG3 ARG 73 2HG ARG 73 -12.185 -3.750 -10.073 539 HD2 ARG 73 1HD ARG 73 -12.347 -4.866 -12.165 540 HD3 ARG 73 2HD ARG 73 -11.884 -6.074 -10.967 541 HE ARG 73 HE ARG 73 -14.563 -6.310 -11.024 542 HH11 ARG 73 2HH1 ARG 73 -12.153 -6.242 -13.536 543 HH12 ARG 73 1HH1 ARG 73 -13.055 -7.262 -14.608 544 HH21 ARG 73 2HH2 ARG 73 -15.760 -7.652 -12.427 545 HH22 ARG 73 1HH2 ARG 73 -15.106 -8.062 -13.977 546 H GLY 74 H GLY 74 -13.175 -1.839 -6.784 547 HA2 GLY 74 1HA GLY 74 -14.380 -0.186 -8.473 548 HA3 GLY 74 2HA GLY 74 -15.778 -1.030 -7.823 549 H ALA 75 H ALA 75 -15.377 -1.256 -5.219 550 HA ALA 75 HA ALA 75 -16.026 1.178 -4.128 551 HB1 ALA 75 1HB ALA 75 -16.388 -0.913 -2.956 552 HB2 ALA 75 2HB ALA 75 -14.649 -1.127 -2.755 553 HB3 ALA 75 3HB ALA 75 -15.473 0.202 -1.941 554 H SER 76 H SER 76 -14.938 2.806 -3.044 555 HA SER 76 HA SER 76 -12.385 3.493 -4.012 556 HB2 SER 76 1HB SER 76 -13.935 4.596 -1.658 557 HB3 SER 76 2HB SER 76 -12.490 5.338 -2.342 558 HG SER 76 HG SER 76 -14.431 6.244 -3.177 559 H TYR 77 H TYR 77 -10.374 3.202 -3.234 560 HA TYR 77 HA TYR 77 -10.018 2.159 -0.525 561 HB2 TYR 77 1HB TYR 77 -9.338 0.740 -3.061 562 HB3 TYR 77 2HB TYR 77 -8.243 0.572 -1.693 563 HD1 TYR 77 1HD TYR 77 -9.368 -0.100 0.575 564 HD2 TYR 77 2HD TYR 77 -11.143 -0.702 -3.245 565 HE1 TYR 77 1HE TYR 77 -10.820 -1.841 1.530 566 HE2 TYR 77 2HE TYR 77 -12.601 -2.443 -2.300 567 HH TYR 77 HH TYR 77 -12.103 -3.770 0.805 568 H LEU 78 H LEU 78 -8.618 3.464 0.430 569 HA LEU 78 HA LEU 78 -6.675 4.942 -1.163 570 HB2 LEU 78 1HB LEU 78 -7.454 5.129 1.742 571 HB3 LEU 78 2HB LEU 78 -6.238 6.144 0.971 572 HG LEU 78 HG LEU 78 -9.126 6.070 0.116 573 HD11 LEU 78 1HD1 LEU 78 -9.141 6.857 2.359 574 HD12 LEU 78 2HD1 LEU 78 -9.264 8.268 1.309 575 HD13 LEU 78 3HD1 LEU 78 -7.727 7.873 2.078 576 HD21 LEU 78 1HD2 LEU 78 -8.636 7.910 -1.215 577 HD22 LEU 78 2HD2 LEU 78 -7.224 6.875 -1.428 578 HD23 LEU 78 3HD2 LEU 78 -7.143 8.266 -0.346 579 H VAL 79 H VAL 79 -4.995 3.621 -1.653 580 HA VAL 79 HA VAL 79 -3.796 1.961 0.420 581 HB VAL 79 HB VAL 79 -2.998 2.254 -2.479 582 HG11 VAL 79 1HG1 VAL 79 -1.919 0.747 -0.208 583 HG12 VAL 79 2HG1 VAL 79 -2.176 -0.209 -1.669 584 HG13 VAL 79 3HG1 VAL 79 -1.151 1.226 -1.721 585 HG21 VAL 79 1HG2 VAL 79 -4.246 0.283 -2.940 586 HG22 VAL 79 2HG2 VAL 79 -4.586 0.020 -1.229 587 HG23 VAL 79 3HG2 VAL 79 -5.322 1.381 -2.076 588 H GLN 80 H GLN 80 -1.948 2.415 1.458 589 HA GLN 80 HA GLN 80 -0.222 4.550 0.433 590 HB2 GLN 80 1HB GLN 80 -1.546 4.448 3.126 591 HB3 GLN 80 2HB GLN 80 -0.009 5.277 2.917 592 HG2 GLN 80 1HG GLN 80 -1.149 6.568 1.043 593 HG3 GLN 80 2HG GLN 80 -2.661 5.924 1.680 594 HE21 GLN 80 1HE2 GLN 80 -3.084 8.260 1.931 595 HE22 GLN 80 2HE2 GLN 80 -2.575 9.025 3.394 596 H VAL 81 H VAL 81 1.800 3.855 0.332 597 HA VAL 81 HA VAL 81 2.649 1.722 2.183 598 HB VAL 81 HB VAL 81 3.806 2.299 -0.546 599 HG11 VAL 81 1HG1 VAL 81 5.412 0.866 -0.004 600 HG12 VAL 81 2HG1 VAL 81 4.766 0.802 1.637 601 HG13 VAL 81 3HG1 VAL 81 4.220 -0.359 0.427 602 HG21 VAL 81 1HG2 VAL 81 1.501 0.661 0.300 603 HG22 VAL 81 2HG2 VAL 81 1.842 1.427 -1.252 604 HG23 VAL 81 3HG2 VAL 81 2.622 -0.098 -0.832 605 H ARG 82 H ARG 82 4.356 2.081 3.464 606 HA ARG 82 HA ARG 82 5.994 4.475 2.945 607 HB2 ARG 82 1HB ARG 82 6.099 4.935 5.288 608 HB3 ARG 82 2HB ARG 82 4.405 4.717 4.871 609 HG2 ARG 82 1HG ARG 82 4.343 2.568 5.863 610 HG3 ARG 82 2HG ARG 82 6.100 2.523 6.028 611 HD2 ARG 82 1HD ARG 82 6.067 4.207 7.705 612 HD3 ARG 82 2HD ARG 82 4.368 4.567 7.399 613 HE ARG 82 HE ARG 82 4.459 1.915 8.140 614 HH11 ARG 82 2HH1 ARG 82 5.336 4.974 9.551 615 HH12 ARG 82 1HH1 ARG 82 5.048 4.454 11.179 616 HH21 ARG 82 2HH2 ARG 82 4.077 1.218 10.279 617 HH22 ARG 82 1HH2 ARG 82 4.333 2.317 11.591 618 H ALA 83 H ALA 83 8.192 4.376 3.570 619 HA ALA 83 HA ALA 83 9.209 1.628 3.896 620 HB1 ALA 83 1HB ALA 83 10.594 1.953 2.190 621 HB2 ALA 83 2HB ALA 83 9.742 3.463 1.864 622 HB3 ALA 83 3HB ALA 83 11.183 3.465 2.881 623 H ARG 84 H ARG 84 11.105 1.334 5.177 624 HA ARG 84 HA ARG 84 11.760 3.553 6.986 625 HB2 ARG 84 1HB ARG 84 11.576 2.200 8.927 626 HB3 ARG 84 2HB ARG 84 10.094 1.949 8.014 627 HG2 ARG 84 1HG ARG 84 10.564 -0.207 8.517 628 HG3 ARG 84 2HG ARG 84 11.497 -0.073 7.025 629 HD2 ARG 84 1HD ARG 84 12.867 -1.126 8.687 630 HD3 ARG 84 2HD ARG 84 13.492 0.496 8.392 631 HE ARG 84 HE ARG 84 11.869 0.878 10.500 632 HH11 ARG 84 2HH1 ARG 84 14.385 -1.442 9.866 633 HH12 ARG 84 1HH1 ARG 84 14.833 -1.607 11.531 634 HH21 ARG 84 2HH2 ARG 84 12.450 0.670 12.696 635 HH22 ARG 84 1HH2 ARG 84 13.731 -0.406 13.140 636 H SER 85 H SER 85 13.765 3.066 8.284 637 HA SER 85 HA SER 85 15.626 1.335 6.807 638 HB2 SER 85 1HB SER 85 15.841 3.797 6.184 639 HB3 SER 85 2HB SER 85 16.405 4.067 7.833 640 HG SER 85 HG SER 85 18.275 3.567 7.008 641 H GLU 86 H GLU 86 17.868 1.513 8.176 642 HA GLU 86 HA GLU 86 17.435 0.029 10.495 643 HB2 GLU 86 1HB GLU 86 19.868 1.670 9.764 644 HB3 GLU 86 2HB GLU 86 19.820 0.397 10.975 645 HG2 GLU 86 1HG GLU 86 19.137 -1.176 9.138 646 HG3 GLU 86 2HG GLU 86 19.501 0.121 8.001 647 H ALA 87 H ALA 87 17.403 3.435 9.988 648 HA ALA 87 HA ALA 87 17.834 4.142 12.749 649 HB1 ALA 87 1HB ALA 87 17.845 6.316 12.062 650 HB2 ALA 87 2HB ALA 87 18.255 5.527 10.539 651 HB3 ALA 87 3HB ALA 87 16.599 6.054 10.841 652 H GLY 88 H GLY 88 15.050 4.594 10.552 653 HA2 GLY 88 1HA GLY 88 13.194 3.587 12.486 654 HA3 GLY 88 2HA GLY 88 13.159 5.342 12.397 655 H TYR 89 H TYR 89 10.902 4.923 11.743 656 HA TYR 89 HA TYR 89 10.586 3.944 9.009 657 HB2 TYR 89 1HB TYR 89 8.753 4.413 11.310 658 HB3 TYR 89 2HB TYR 89 8.079 4.538 9.689 659 HD1 TYR 89 1HD TYR 89 9.866 2.259 12.002 660 HD2 TYR 89 2HD TYR 89 7.581 2.605 8.429 661 HE1 TYR 89 1HE TYR 89 9.648 -0.189 11.911 662 HE2 TYR 89 2HE TYR 89 7.356 0.158 8.330 663 HH TYR 89 HH TYR 89 8.935 -1.932 10.723 664 H GLY 90 H GLY 90 9.781 5.183 7.329 665 HA2 GLY 90 1HA GLY 90 10.088 8.076 7.707 666 HA3 GLY 90 2HA GLY 90 10.128 7.228 6.168 667 HA PRO 91 HA PRO 91 5.917 9.208 6.982 668 HB2 PRO 91 1HB PRO 91 6.019 11.038 4.978 669 HB3 PRO 91 2HB PRO 91 6.598 11.372 6.614 670 HG2 PRO 91 1HG PRO 91 8.153 10.606 4.174 671 HG3 PRO 91 2HG PRO 91 8.527 11.832 5.399 672 HD2 PRO 91 1HD PRO 91 9.687 9.386 5.384 673 HD3 PRO 91 2HD PRO 91 9.355 10.276 6.884 674 H PHE 92 H PHE 92 4.113 8.614 5.857 675 HA PHE 92 HA PHE 92 4.241 6.579 3.974 676 HB2 PHE 92 1HB PHE 92 2.098 8.405 4.944 677 HB3 PHE 92 2HB PHE 92 1.783 7.489 3.474 678 HD1 PHE 92 1HD PHE 92 2.210 4.938 3.601 679 HD2 PHE 92 2HD PHE 92 1.697 7.444 7.003 680 HE1 PHE 92 1HE PHE 92 1.607 2.973 4.954 681 HE2 PHE 92 2HE PHE 92 1.094 5.484 8.361 682 HZ PHE 92 HZ PHE 92 1.049 3.244 7.337 683 H GLY 93 H GLY 93 3.458 6.580 1.730 684 HA2 GLY 93 1HA GLY 93 4.645 8.819 0.274 685 HA3 GLY 93 2HA GLY 93 4.221 7.252 -0.398 686 H GLN 94 H GLN 94 3.584 9.632 -1.681 687 HA GLN 94 HA GLN 94 1.220 10.878 -1.272 688 HB2 GLN 94 1HB GLN 94 2.645 11.347 -3.196 689 HB3 GLN 94 2HB GLN 94 2.219 9.799 -3.913 690 HG2 GLN 94 1HG GLN 94 0.013 10.484 -4.343 691 HG3 GLN 94 2HG GLN 94 0.162 11.891 -3.291 692 HE21 GLN 94 1HE2 GLN 94 -0.495 11.497 -6.208 693 HE22 GLN 94 2HE2 GLN 94 0.553 12.596 -7.032 694 H GLU 95 H GLU 95 -0.799 10.259 -0.916 695 HA GLU 95 HA GLU 95 -1.711 7.674 -0.807 696 HB2 GLU 95 1HB GLU 95 -3.974 8.585 -0.800 697 HB3 GLU 95 2HB GLU 95 -2.903 9.581 0.175 698 HG2 GLU 95 1HG GLU 95 -2.840 11.284 -1.443 699 HG3 GLU 95 2HG GLU 95 -3.549 10.244 -2.678 700 H HIS 96 H HIS 96 -2.668 6.239 -2.175 701 HA HIS 96 HA HIS 96 -2.855 7.027 -5.009 702 HB2 HIS 96 1HB HIS 96 -0.939 5.466 -4.410 703 HB3 HIS 96 2HB HIS 96 -2.161 4.254 -4.039 704 HD1 HIS 96 1HD HIS 96 -0.791 6.239 -6.940 705 HD2 HIS 96 2HD HIS 96 -3.207 2.937 -6.216 706 HE1 HIS 96 1HE HIS 96 -1.165 5.174 -9.187 707 HE2 HIS 96 2HE HIS 96 -2.699 3.227 -8.735 708 H HIS 97 H HIS 97 -4.527 6.107 -6.239 709 HA HIS 97 HA HIS 97 -6.657 4.816 -4.664 710 HB2 HIS 97 1HB HIS 97 -7.014 7.267 -5.398 711 HB3 HIS 97 2HB HIS 97 -7.213 6.606 -7.018 712 HD1 HIS 97 1HD HIS 97 -9.251 4.907 -7.324 713 HD2 HIS 97 2HD HIS 97 -9.223 7.090 -3.789 714 HE1 HIS 97 1HE HIS 97 -11.579 4.709 -6.392 715 HE2 HIS 97 2HE HIS 97 -11.561 6.108 -4.298 716 H SER 98 H SER 98 -6.797 2.767 -5.294 717 HA SER 98 HA SER 98 -5.859 1.781 -7.766 718 HB2 SER 98 1HB SER 98 -7.664 0.575 -5.665 719 HB3 SER 98 2HB SER 98 -7.124 -0.313 -7.090 720 HG SER 98 HG SER 98 -5.279 0.972 -5.387 721 H GLN 99 H GLN 99 -6.748 2.522 -9.604 722 HA GLN 99 HA GLN 99 -9.152 3.530 -10.196 723 HB2 GLN 99 1HB GLN 99 -7.131 2.830 -11.736 724 HB3 GLN 99 2HB GLN 99 -8.145 1.433 -12.074 725 HG2 GLN 99 1HG GLN 99 -8.787 2.827 -13.756 726 HG3 GLN 99 2HG GLN 99 -9.971 3.255 -12.522 727 HE21 GLN 99 1HE2 GLN 99 -6.748 4.167 -13.677 728 HE22 GLN 99 2HE2 GLN 99 -6.948 5.864 -13.426 729 H THR 100 H THR 100 -8.495 0.028 -10.259 730 HA THR 100 HA THR 100 -9.927 -1.763 -10.341 731 HB THR 100 HB THR 100 -11.712 -1.643 -8.507 732 HG1 THR 100 1HG THR 100 -11.497 0.823 -8.621 733 HG21 THR 100 1HG2 THR 100 -10.082 -2.677 -7.396 734 HG22 THR 100 2HG2 THR 100 -9.455 -1.106 -6.898 735 HG23 THR 100 3HG2 THR 100 -8.862 -1.864 -8.375 736 H GLN 101 H GLN 101 -10.523 -0.231 -12.465 737 HA GLN 101 HA GLN 101 -13.309 0.501 -12.503 738 HB2 GLN 101 1HB GLN 101 -11.276 1.451 -13.895 739 HB3 GLN 101 2HB GLN 101 -11.710 0.155 -15.002 740 HG2 GLN 101 1HG GLN 101 -13.917 1.046 -15.274 741 HG3 GLN 101 2HG GLN 101 -13.626 2.258 -14.027 742 HE21 GLN 101 1HE2 GLN 101 -14.178 2.203 -17.066 743 HE22 GLN 101 2HE2 GLN 101 -13.047 3.353 -17.686 744 H LEU 102 H LEU 102 -14.993 -0.590 -13.426 745 HA LEU 102 HA LEU 102 -14.578 -3.436 -13.860 746 HB2 LEU 102 1HB LEU 102 -17.144 -1.855 -13.838 747 HB3 LEU 102 2HB LEU 102 -16.993 -3.610 -13.801 748 HG LEU 102 HG LEU 102 -15.645 -3.076 -11.580 749 HD11 LEU 102 1HD1 LEU 102 -17.104 -0.593 -12.210 750 HD12 LEU 102 2HD1 LEU 102 -15.659 -0.848 -11.233 751 HD13 LEU 102 3HD1 LEU 102 -17.252 -1.183 -10.554 752 HD21 LEU 102 1HD2 LEU 102 -18.492 -3.547 -12.173 753 HD22 LEU 102 2HD2 LEU 102 -18.129 -2.996 -10.537 754 HD23 LEU 102 3HD2 LEU 102 -17.373 -4.462 -11.162 755 H ASP 103 H ASP 103 -13.384 -3.015 -15.882 756 HA ASP 103 HA ASP 103 -15.124 -3.340 -18.137 757 HB2 ASP 103 1HB ASP 103 -14.976 -0.828 -17.822 758 HB3 ASP 103 2HB ASP 103 -13.264 -0.963 -18.214 759 H SER 104 H SER 104 -13.789 -3.559 -20.203 760 HA SER 104 HA SER 104 -11.101 -4.594 -19.615 761 HB2 SER 104 1HB SER 104 -11.520 -6.540 -21.050 762 HB3 SER 104 2HB SER 104 -12.663 -6.499 -19.708 763 HG SER 104 HG SER 104 -13.699 -6.941 -21.698 764 H GLY 105 H GLY 105 -9.600 -3.804 -20.936 765 HA2 GLY 105 1HA GLY 105 -9.442 -3.632 -23.597 766 HA3 GLY 105 2HA GLY 105 -10.434 -2.227 -23.234 767 HA PRO 106 HA PRO 106 -5.754 -1.429 -22.744 768 HB2 PRO 106 1HB PRO 106 -5.308 -0.119 -25.080 769 HB3 PRO 106 2HB PRO 106 -5.107 -1.866 -24.905 770 HG2 PRO 106 1HG PRO 106 -7.409 -0.329 -26.045 771 HG3 PRO 106 2HG PRO 106 -6.640 -1.808 -26.652 772 HD2 PRO 106 1HD PRO 106 -8.963 -1.839 -25.260 773 HD3 PRO 106 2HD PRO 106 -7.778 -3.158 -25.170 774 H SER 107 H SER 107 -4.730 0.861 -23.075 775 HA SER 107 HA SER 107 -6.765 2.945 -22.685 776 HB2 SER 107 1HB SER 107 -5.880 2.108 -20.477 777 HB3 SER 107 2HB SER 107 -4.291 2.698 -20.963 778 HG SER 107 HG SER 107 -4.911 4.584 -20.312 779 H SER 108 H SER 108 -6.223 4.975 -23.419 780 HA SER 108 HA SER 108 -3.777 5.102 -25.045 781 HB2 SER 108 1HB SER 108 -6.499 6.313 -25.317 782 HB3 SER 108 2HB SER 108 -5.120 7.166 -26.011 783 HG SER 108 HG SER 108 -5.588 5.854 -27.622 784 H GLY 109 H GLY 109 -3.008 7.475 -25.345 785 HA2 GLY 109 1HA GLY 109 -1.803 9.145 -24.307 786 HA3 GLY 109 2HA GLY 109 -3.353 9.515 -23.567 Start of MODEL 4 1 H1 GLY 1 H GLY 1 9.876 17.482 21.231 2 HA2 GLY 1 1HA GLY 1 11.223 19.797 20.270 3 HA3 GLY 1 2HA GLY 1 11.634 18.885 21.715 4 H SER 2 H SER 2 13.067 17.102 21.541 5 HA SER 2 HA SER 2 15.281 17.515 19.921 6 HB2 SER 2 1HB SER 2 15.920 15.161 20.558 7 HB3 SER 2 2HB SER 2 15.502 16.202 21.919 8 HG SER 2 HG SER 2 13.464 14.694 20.751 9 H SER 3 H SER 3 15.932 16.813 17.954 10 HA SER 3 HA SER 3 14.431 14.768 16.542 11 HB2 SER 3 1HB SER 3 14.693 17.550 15.378 12 HB3 SER 3 2HB SER 3 13.915 16.161 14.619 13 HG SER 3 HG SER 3 12.299 16.249 16.127 14 H GLY 4 H GLY 4 15.988 13.459 15.856 15 HA2 GLY 4 1HA GLY 4 18.492 14.668 14.862 16 HA3 GLY 4 2HA GLY 4 18.385 13.077 15.600 17 H SER 5 H SER 5 16.265 11.952 14.299 18 HA SER 5 HA SER 5 16.917 12.125 11.442 19 HB2 SER 5 1HB SER 5 17.119 9.739 11.228 20 HB3 SER 5 2HB SER 5 18.198 10.247 12.526 21 HG SER 5 HG SER 5 15.720 8.914 12.698 22 H SER 6 H SER 6 15.301 11.006 10.071 23 HA SER 6 HA SER 6 12.632 11.037 11.321 24 HB2 SER 6 1HB SER 6 13.560 12.178 8.697 25 HB3 SER 6 2HB SER 6 11.871 11.733 8.940 26 HG SER 6 HG SER 6 12.092 13.865 9.518 27 H GLY 7 H GLY 7 14.631 9.707 8.715 28 HA2 GLY 7 1HA GLY 7 14.465 7.174 8.687 29 HA3 GLY 7 2HA GLY 7 12.738 7.450 8.517 30 HA PRO 8 HA PRO 8 14.588 6.991 4.284 31 HB2 PRO 8 1HB PRO 8 12.723 5.227 3.398 32 HB3 PRO 8 2HB PRO 8 14.185 4.729 4.259 33 HG2 PRO 8 1HG PRO 8 11.400 5.081 5.300 34 HG3 PRO 8 2HG PRO 8 12.563 3.784 5.632 35 HD2 PRO 8 1HD PRO 8 12.132 5.830 7.353 36 HD3 PRO 8 2HD PRO 8 13.714 5.042 7.184 37 HA PRO 9 HA PRO 9 11.805 9.706 2.231 38 HB2 PRO 9 1HB PRO 9 11.884 8.826 -0.336 39 HB3 PRO 9 2HB PRO 9 13.233 9.674 0.431 40 HG2 PRO 9 1HG PRO 9 12.838 6.737 0.004 41 HG3 PRO 9 2HG PRO 9 14.302 7.713 -0.216 42 HD2 PRO 9 1HD PRO 9 13.887 6.185 1.980 43 HD3 PRO 9 2HD PRO 9 14.795 7.709 2.035 44 H ALA 10 H ALA 10 9.670 9.931 1.740 45 HA ALA 10 HA ALA 10 7.885 7.838 2.275 46 HB1 ALA 10 1HB ALA 10 6.221 9.466 1.105 47 HB2 ALA 10 2HB ALA 10 6.974 9.924 2.633 48 HB3 ALA 10 3HB ALA 10 7.593 10.573 1.115 49 H VAL 11 H VAL 11 7.338 6.148 1.078 50 HA VAL 11 HA VAL 11 8.234 5.496 -1.411 51 HB VAL 11 HB VAL 11 5.526 4.739 -0.306 52 HG11 VAL 11 1HG1 VAL 11 6.646 4.209 -2.805 53 HG12 VAL 11 2HG1 VAL 11 6.872 2.728 -1.872 54 HG13 VAL 11 3HG1 VAL 11 5.257 3.410 -2.068 55 HG21 VAL 11 1HG2 VAL 11 6.504 3.239 1.061 56 HG22 VAL 11 2HG2 VAL 11 7.790 2.872 -0.088 57 HG23 VAL 11 3HG2 VAL 11 7.898 4.312 0.924 58 H SER 12 H SER 12 7.891 6.168 -3.424 59 HA SER 12 HA SER 12 5.394 7.593 -4.040 60 HB2 SER 12 1HB SER 12 8.098 8.438 -5.094 61 HB3 SER 12 2HB SER 12 6.562 9.287 -5.272 62 HG SER 12 HG SER 12 6.999 10.236 -3.463 63 H ASP 13 H ASP 13 5.337 7.951 -6.563 64 HA ASP 13 HA ASP 13 4.844 6.850 -8.508 65 HB2 ASP 13 1HB ASP 13 7.746 6.382 -7.982 66 HB3 ASP 13 2HB ASP 13 6.997 5.547 -9.340 67 H ILE 14 H ILE 14 3.613 5.487 -6.623 68 HA ILE 14 HA ILE 14 4.435 2.705 -6.626 69 HB ILE 14 HB ILE 14 2.045 4.075 -5.393 70 HG12 ILE 14 1HG1 ILE 14 4.217 2.722 -3.853 71 HG13 ILE 14 2HG1 ILE 14 4.542 4.309 -4.541 72 HG21 ILE 14 1HG2 ILE 14 2.932 1.211 -5.077 73 HG22 ILE 14 2HG2 ILE 14 1.565 1.983 -4.275 74 HG23 ILE 14 3HG2 ILE 14 1.543 1.747 -6.022 75 HD11 ILE 14 1HD1 ILE 14 2.366 5.020 -3.375 76 HD12 ILE 14 2HD1 ILE 14 2.565 3.537 -2.440 77 HD13 ILE 14 3HD1 ILE 14 3.814 4.780 -2.398 78 H ARG 15 H ARG 15 4.070 1.607 -8.449 79 HA ARG 15 HA ARG 15 1.634 2.115 -9.983 80 HB2 ARG 15 1HB ARG 15 3.899 2.005 -11.091 81 HB3 ARG 15 2HB ARG 15 3.930 0.291 -10.700 82 HG2 ARG 15 1HG ARG 15 1.591 1.372 -12.186 83 HG3 ARG 15 2HG ARG 15 3.116 1.137 -13.043 84 HD2 ARG 15 1HD ARG 15 3.023 -1.217 -11.865 85 HD3 ARG 15 2HD ARG 15 1.295 -0.869 -11.807 86 HE ARG 15 HE ARG 15 1.223 -1.425 -14.008 87 HH11 ARG 15 2HH1 ARG 15 4.414 -0.228 -13.296 88 HH12 ARG 15 1HH1 ARG 15 5.007 -0.473 -14.905 89 HH21 ARG 15 2HH2 ARG 15 1.992 -1.752 -16.130 90 HH22 ARG 15 1HH2 ARG 15 3.628 -1.339 -16.517 91 H VAL 16 H VAL 16 0.098 0.555 -10.411 92 HA VAL 16 HA VAL 16 0.332 -1.951 -8.874 93 HB VAL 16 HB VAL 16 -1.266 -0.596 -7.722 94 HG11 VAL 16 1HG1 VAL 16 -2.713 -0.244 -10.344 95 HG12 VAL 16 2HG1 VAL 16 -3.184 0.425 -8.781 96 HG13 VAL 16 3HG1 VAL 16 -1.707 0.980 -9.570 97 HG21 VAL 16 1HG2 VAL 16 -1.852 -2.947 -7.947 98 HG22 VAL 16 2HG2 VAL 16 -3.304 -1.947 -7.936 99 HG23 VAL 16 3HG2 VAL 16 -2.700 -2.607 -9.455 100 H THR 17 H THR 17 0.473 -3.610 -10.222 101 HA THR 17 HA THR 17 -1.023 -3.503 -12.759 102 HB THR 17 HB THR 17 1.424 -3.632 -13.053 103 HG1 THR 17 1HG THR 17 -0.163 -4.765 -14.466 104 HG21 THR 17 1HG2 THR 17 2.629 -5.663 -12.421 105 HG22 THR 17 2HG2 THR 17 1.175 -6.295 -11.648 106 HG23 THR 17 3HG2 THR 17 1.966 -4.859 -10.999 107 H ARG 18 H ARG 18 -1.611 -5.728 -13.606 108 HA ARG 18 HA ARG 18 -2.822 -7.642 -13.404 109 HB2 ARG 18 1HB ARG 18 -0.946 -7.783 -11.100 110 HB3 ARG 18 2HB ARG 18 -2.305 -8.899 -11.105 111 HG2 ARG 18 1HG ARG 18 -1.612 -9.740 -13.289 112 HG3 ARG 18 2HG ARG 18 -0.252 -8.616 -13.289 113 HD2 ARG 18 1HD ARG 18 -0.662 -10.622 -11.091 114 HD3 ARG 18 2HD ARG 18 0.201 -11.028 -12.573 115 HE ARG 18 HE ARG 18 1.247 -8.661 -11.419 116 HH11 ARG 18 2HH1 ARG 18 1.200 -12.121 -11.040 117 HH12 ARG 18 1HH1 ARG 18 2.741 -12.187 -10.252 118 HH21 ARG 18 2HH2 ARG 18 3.277 -8.734 -10.383 119 HH22 ARG 18 1HH2 ARG 18 3.922 -10.259 -9.878 120 H SER 19 H SER 19 -4.079 -5.264 -12.665 121 HA SER 19 HA SER 19 -5.353 -5.240 -10.194 122 HB2 SER 19 1HB SER 19 -7.102 -3.868 -11.322 123 HB3 SER 19 2HB SER 19 -5.463 -3.329 -11.688 124 HG SER 19 HG SER 19 -5.688 -3.960 -13.712 125 H SER 20 H SER 20 -6.235 -7.069 -9.407 126 HA SER 20 HA SER 20 -8.009 -8.657 -11.103 127 HB2 SER 20 1HB SER 20 -6.552 -9.148 -8.539 128 HB3 SER 20 2HB SER 20 -8.005 -10.089 -8.879 129 HG SER 20 HG SER 20 -6.943 -11.176 -10.332 130 HA PRO 21 HA PRO 21 -11.753 -7.212 -9.332 131 HB2 PRO 21 1HB PRO 21 -13.243 -9.480 -9.255 132 HB3 PRO 21 2HB PRO 21 -12.852 -8.638 -10.759 133 HG2 PRO 21 1HG PRO 21 -11.561 -11.053 -9.551 134 HG3 PRO 21 2HG PRO 21 -11.998 -10.746 -11.242 135 HD2 PRO 21 1HD PRO 21 -9.468 -10.469 -10.316 136 HD3 PRO 21 2HD PRO 21 -10.123 -9.461 -11.624 137 H SER 22 H SER 22 -9.999 -9.759 -7.767 138 HA SER 22 HA SER 22 -11.245 -9.009 -5.213 139 HB2 SER 22 1HB SER 22 -10.679 -11.812 -6.195 140 HB3 SER 22 2HB SER 22 -11.027 -11.423 -4.510 141 HG SER 22 HG SER 22 -12.856 -12.080 -5.908 142 H SER 23 H SER 23 -8.687 -8.367 -6.655 143 HA SER 23 HA SER 23 -6.971 -8.475 -4.389 144 HB2 SER 23 1HB SER 23 -6.476 -10.383 -6.661 145 HB3 SER 23 2HB SER 23 -5.135 -9.755 -5.704 146 HG SER 23 HG SER 23 -6.292 -11.819 -5.048 147 H LEU 24 H LEU 24 -4.891 -7.409 -4.794 148 HA LEU 24 HA LEU 24 -4.610 -5.985 -7.306 149 HB2 LEU 24 1HB LEU 24 -5.069 -4.569 -4.687 150 HB3 LEU 24 2HB LEU 24 -4.456 -3.786 -6.142 151 HG LEU 24 HG LEU 24 -7.108 -5.190 -6.135 152 HD11 LEU 24 1HD1 LEU 24 -7.036 -2.261 -5.746 153 HD12 LEU 24 2HD1 LEU 24 -6.678 -3.260 -4.339 154 HD13 LEU 24 3HD1 LEU 24 -8.210 -3.455 -5.191 155 HD21 LEU 24 1HD2 LEU 24 -5.743 -4.300 -8.202 156 HD22 LEU 24 2HD2 LEU 24 -6.423 -2.752 -7.700 157 HD23 LEU 24 3HD2 LEU 24 -7.492 -4.095 -8.107 158 H SER 25 H SER 25 -2.568 -6.485 -7.767 159 HA SER 25 HA SER 25 -0.583 -6.818 -5.699 160 HB2 SER 25 1HB SER 25 -0.742 -8.200 -7.841 161 HB3 SER 25 2HB SER 25 -0.080 -6.795 -8.676 162 HG SER 25 HG SER 25 1.670 -7.973 -8.137 163 H LEU 26 H LEU 26 0.526 -5.197 -4.854 164 HA LEU 26 HA LEU 26 0.817 -2.712 -6.388 165 HB2 LEU 26 1HB LEU 26 1.220 -3.225 -3.445 166 HB3 LEU 26 2HB LEU 26 1.337 -1.659 -4.244 167 HG LEU 26 HG LEU 26 -1.221 -3.198 -4.388 168 HD11 LEU 26 1HD1 LEU 26 -0.510 -1.384 -2.094 169 HD12 LEU 26 2HD1 LEU 26 -0.458 -3.144 -2.000 170 HD13 LEU 26 3HD1 LEU 26 -1.987 -2.324 -2.317 171 HD21 LEU 26 1HD2 LEU 26 -2.056 -0.784 -4.256 172 HD22 LEU 26 2HD2 LEU 26 -1.231 -1.283 -5.732 173 HD23 LEU 26 3HD2 LEU 26 -0.376 -0.321 -4.526 174 H ALA 27 H ALA 27 2.823 -1.683 -6.591 175 HA ALA 27 HA ALA 27 5.218 -2.950 -5.592 176 HB1 ALA 27 1HB ALA 27 5.725 -2.705 -8.366 177 HB2 ALA 27 2HB ALA 27 5.729 -4.164 -7.375 178 HB3 ALA 27 3HB ALA 27 4.244 -3.645 -8.173 179 H TRP 28 H TRP 28 6.713 -1.446 -5.194 180 HA TRP 28 HA TRP 28 6.394 1.185 -6.480 181 HB2 TRP 28 1HB TRP 28 7.870 1.809 -4.343 182 HB3 TRP 28 2HB TRP 28 6.111 1.733 -4.279 183 HD1 TRP 28 HD TRP 28 8.997 0.590 -2.410 184 HE1 TRP 28 1HE TRP 28 8.409 -1.387 -0.869 185 HE3 TRP 28 3HE TRP 28 4.484 -0.701 -4.434 186 HZ2 TRP 28 2HZ TRP 28 6.309 -3.247 -0.555 187 HZ3 TRP 28 3HZ TRP 28 3.249 -2.591 -3.455 188 HH2 TRP 28 HH TRP 28 4.145 -3.837 -1.556 189 H ALA 29 H ALA 29 8.499 2.466 -6.522 190 HA ALA 29 HA ALA 29 10.550 0.752 -7.704 191 HB1 ALA 29 1HB ALA 29 10.878 3.679 -7.805 192 HB2 ALA 29 2HB ALA 29 11.076 2.467 -9.071 193 HB3 ALA 29 3HB ALA 29 9.463 3.031 -8.635 194 H VAL 30 H VAL 30 12.157 0.106 -6.440 195 HA VAL 30 HA VAL 30 12.799 0.706 -3.920 196 HB VAL 30 HB VAL 30 14.869 0.339 -6.090 197 HG11 VAL 30 1HG1 VAL 30 15.003 0.019 -3.098 198 HG12 VAL 30 2HG1 VAL 30 16.209 -0.638 -4.206 199 HG13 VAL 30 3HG1 VAL 30 15.953 1.105 -4.112 200 HG21 VAL 30 1HG2 VAL 30 14.758 -2.058 -5.367 201 HG22 VAL 30 2HG2 VAL 30 13.317 -1.647 -4.438 202 HG23 VAL 30 3HG2 VAL 30 13.315 -1.469 -6.192 203 HA PRO 31 HA PRO 31 13.595 5.153 -4.386 204 HB2 PRO 31 1HB PRO 31 13.145 5.715 -1.768 205 HB3 PRO 31 2HB PRO 31 11.843 5.538 -2.950 206 HG2 PRO 31 1HG PRO 31 12.872 3.558 -0.954 207 HG3 PRO 31 2HG PRO 31 11.196 3.938 -1.391 208 HD2 PRO 31 1HD PRO 31 12.496 1.767 -2.354 209 HD3 PRO 31 2HD PRO 31 11.263 2.635 -3.291 210 H ARG 32 H ARG 32 15.154 6.596 -3.340 211 HA ARG 32 HA ARG 32 17.489 5.096 -2.381 212 HB2 ARG 32 1HB ARG 32 18.568 7.455 -2.917 213 HB3 ARG 32 2HB ARG 32 18.278 6.269 -4.183 214 HG2 ARG 32 1HG ARG 32 16.250 7.399 -4.836 215 HG3 ARG 32 2HG ARG 32 16.420 8.536 -3.498 216 HD2 ARG 32 1HD ARG 32 18.254 8.232 -5.871 217 HD3 ARG 32 2HD ARG 32 17.173 9.583 -5.533 218 HE ARG 32 HE ARG 32 18.843 9.411 -3.356 219 HH11 ARG 32 2HH1 ARG 32 19.216 9.871 -6.787 220 HH12 ARG 32 1HH1 ARG 32 20.658 10.820 -6.635 221 HH21 ARG 32 2HH2 ARG 32 20.741 10.658 -3.143 222 HH22 ARG 32 1HH2 ARG 32 21.525 11.266 -4.562 223 H ALA 33 H ALA 33 18.099 5.264 -0.331 224 HA ALA 33 HA ALA 33 16.871 7.339 1.336 225 HB1 ALA 33 1HB ALA 33 16.461 5.286 2.326 226 HB2 ALA 33 2HB ALA 33 18.057 4.654 1.916 227 HB3 ALA 33 3HB ALA 33 17.885 5.853 3.199 228 HA PRO 34 HA PRO 34 20.614 9.604 1.770 229 HB2 PRO 34 1HB PRO 34 20.222 10.692 4.226 230 HB3 PRO 34 2HB PRO 34 19.348 11.230 2.786 231 HG2 PRO 34 1HG PRO 34 18.461 9.367 4.956 232 HG3 PRO 34 2HG PRO 34 17.559 10.671 4.162 233 HD2 PRO 34 1HD PRO 34 17.234 8.065 3.504 234 HD3 PRO 34 2HD PRO 34 17.062 9.377 2.321 235 H SER 35 H SER 35 19.806 6.988 3.793 236 HA SER 35 HA SER 35 22.594 6.596 4.483 237 HB2 SER 35 1HB SER 35 20.453 6.926 6.593 238 HB3 SER 35 2HB SER 35 22.031 6.203 6.907 239 HG SER 35 HG SER 35 21.342 8.822 6.664 240 H GLY 36 H GLY 36 23.112 4.450 4.962 241 HA2 GLY 36 1HA GLY 36 22.899 2.187 4.579 242 HA3 GLY 36 2HA GLY 36 21.496 2.353 5.623 243 H ALA 37 H ALA 37 20.016 1.069 4.686 244 HA ALA 37 HA ALA 37 18.957 1.887 2.119 245 HB1 ALA 37 1HB ALA 37 19.744 -0.996 2.430 246 HB2 ALA 37 2HB ALA 37 19.216 -0.151 0.974 247 HB3 ALA 37 3HB ALA 37 20.799 0.196 1.669 248 H VAL 38 H VAL 38 16.916 0.760 1.602 249 HA VAL 38 HA VAL 38 15.216 0.652 3.855 250 HB VAL 38 HB VAL 38 14.621 -0.439 1.103 251 HG11 VAL 38 1HG1 VAL 38 13.007 -1.072 2.820 252 HG12 VAL 38 2HG1 VAL 38 12.812 0.623 3.272 253 HG13 VAL 38 3HG1 VAL 38 12.300 0.070 1.677 254 HG21 VAL 38 1HG2 VAL 38 13.586 1.865 0.779 255 HG22 VAL 38 2HG2 VAL 38 14.550 2.372 2.167 256 HG23 VAL 38 3HG2 VAL 38 15.346 1.765 0.715 257 H LEU 39 H LEU 39 14.364 -1.025 4.993 258 HA LEU 39 HA LEU 39 15.548 -3.668 4.492 259 HB2 LEU 39 1HB LEU 39 14.218 -2.697 7.012 260 HB3 LEU 39 2HB LEU 39 15.178 -4.160 6.804 261 HG LEU 39 HG LEU 39 16.278 -1.360 6.591 262 HD11 LEU 39 1HD1 LEU 39 15.520 -1.740 8.851 263 HD12 LEU 39 2HD1 LEU 39 17.281 -1.817 8.796 264 HD13 LEU 39 3HD1 LEU 39 16.337 -3.303 8.895 265 HD21 LEU 39 1HD2 LEU 39 18.060 -3.588 7.210 266 HD22 LEU 39 2HD2 LEU 39 18.246 -2.274 6.049 267 HD23 LEU 39 3HD2 LEU 39 17.306 -3.705 5.620 268 H ASP 40 H ASP 40 12.525 -2.381 5.887 269 HA ASP 40 HA ASP 40 11.048 -4.370 4.301 270 HB2 ASP 40 1HB ASP 40 10.443 -3.657 7.178 271 HB3 ASP 40 2HB ASP 40 9.578 -4.826 6.183 272 H TYR 41 H TYR 41 8.549 -3.818 4.613 273 HA TYR 41 HA TYR 41 8.172 -0.913 4.460 274 HB2 TYR 41 1HB TYR 41 7.038 -2.833 2.420 275 HB3 TYR 41 2HB TYR 41 6.896 -1.078 2.418 276 HD1 TYR 41 1HD TYR 41 9.418 -3.813 2.235 277 HD2 TYR 41 2HD TYR 41 8.454 0.215 1.263 278 HE1 TYR 41 1HE TYR 41 11.465 -3.657 0.880 279 HE2 TYR 41 2HE TYR 41 10.497 0.382 -0.096 280 HH TYR 41 HH TYR 41 12.997 -1.348 0.122 281 H GLU 42 H GLU 42 5.792 -0.353 4.398 282 HA GLU 42 HA GLU 42 4.142 -2.336 5.793 283 HB2 GLU 42 1HB GLU 42 5.340 -0.509 7.283 284 HB3 GLU 42 2HB GLU 42 4.024 0.504 6.707 285 HG2 GLU 42 1HG GLU 42 3.503 -0.497 8.859 286 HG3 GLU 42 2HG GLU 42 2.398 -1.059 7.605 287 H VAL 43 H VAL 43 2.336 -2.598 4.677 288 HA VAL 43 HA VAL 43 1.347 -0.390 3.016 289 HB VAL 43 HB VAL 43 0.617 -3.321 2.940 290 HG11 VAL 43 1HG1 VAL 43 -1.015 -1.385 2.154 291 HG12 VAL 43 2HG1 VAL 43 0.005 -1.454 0.715 292 HG13 VAL 43 3HG1 VAL 43 -0.857 -2.895 1.256 293 HG21 VAL 43 1HG2 VAL 43 2.112 -1.874 0.795 294 HG22 VAL 43 2HG2 VAL 43 2.974 -2.498 2.201 295 HG23 VAL 43 3HG2 VAL 43 2.068 -3.598 1.163 296 H LYS 44 H LYS 44 -0.223 0.805 3.849 297 HA LYS 44 HA LYS 44 -2.163 -0.477 5.660 298 HB2 LYS 44 1HB LYS 44 -0.596 1.405 6.519 299 HB3 LYS 44 2HB LYS 44 -1.640 2.481 5.599 300 HG2 LYS 44 1HG LYS 44 -3.574 1.656 6.887 301 HG3 LYS 44 2HG LYS 44 -2.478 0.661 7.848 302 HD2 LYS 44 1HD LYS 44 -2.613 2.503 9.196 303 HD3 LYS 44 2HD LYS 44 -1.245 2.975 8.186 304 HE2 LYS 44 1HE LYS 44 -2.459 4.538 7.036 305 HE3 LYS 44 2HE LYS 44 -3.982 3.682 7.265 306 HZ1 LYS 44 1HZ LYS 44 -2.786 5.731 8.870 307 HZ2 LYS 44 2HZ LYS 44 -3.250 4.388 9.787 308 HZ3 LYS 44 3HZ LYS 44 -4.389 5.192 8.829 309 H TYR 45 H TYR 45 -4.114 -0.725 4.815 310 HA TYR 45 HA TYR 45 -5.068 1.263 2.861 311 HB2 TYR 45 1HB TYR 45 -6.307 -0.576 1.744 312 HB3 TYR 45 2HB TYR 45 -4.561 -0.790 1.676 313 HD1 TYR 45 2HD TYR 45 -3.484 -2.404 3.311 314 HD2 TYR 45 1HD TYR 45 -7.689 -2.230 2.684 315 HE1 TYR 45 2HE TYR 45 -3.717 -4.650 4.287 316 HE2 TYR 45 1HE TYR 45 -7.934 -4.474 3.660 317 HH TYR 45 HH TYR 45 -5.375 -6.560 4.136 318 H HIS 46 H HIS 46 -7.351 1.621 2.814 319 HA HIS 46 HA HIS 46 -9.112 0.439 4.707 320 HB2 HIS 46 1HB HIS 46 -9.405 2.211 6.260 321 HB3 HIS 46 2HB HIS 46 -7.667 1.947 6.154 322 HD1 HIS 46 1HD HIS 46 -6.752 3.617 3.911 323 HD2 HIS 46 2HD HIS 46 -9.803 4.868 6.438 324 HE1 HIS 46 1HE HIS 46 -6.819 6.122 3.696 325 HE2 HIS 46 2HE HIS 46 -8.616 6.863 5.299 326 H GLU 47 H GLU 47 -11.116 0.617 3.933 327 HA GLU 47 HA GLU 47 -11.747 1.782 1.522 328 HB2 GLU 47 1HB GLU 47 -13.079 0.134 3.083 329 HB3 GLU 47 2HB GLU 47 -13.855 1.611 3.636 330 HG2 GLU 47 1HG GLU 47 -14.571 2.114 1.376 331 HG3 GLU 47 2HG GLU 47 -13.742 0.679 0.777 332 H LYS 48 H LYS 48 -11.792 3.825 0.894 333 HA LYS 48 HA LYS 48 -11.363 6.082 2.271 334 HB2 LYS 48 1HB LYS 48 -11.599 6.084 -0.144 335 HB3 LYS 48 2HB LYS 48 -13.323 5.761 -0.008 336 HG2 LYS 48 1HG LYS 48 -13.809 7.909 0.673 337 HG3 LYS 48 2HG LYS 48 -12.168 8.208 1.253 338 HD2 LYS 48 1HD LYS 48 -11.574 7.875 -1.294 339 HD3 LYS 48 2HD LYS 48 -13.264 8.331 -1.516 340 HE2 LYS 48 1HE LYS 48 -11.502 9.975 0.250 341 HE3 LYS 48 2HE LYS 48 -11.397 10.158 -1.500 342 HZ1 LYS 48 1HZ LYS 48 -13.367 11.146 0.291 343 HZ2 LYS 48 2HZ LYS 48 -14.085 10.198 -0.912 344 HZ3 LYS 48 3HZ LYS 48 -13.122 11.521 -1.341 345 H GLY 49 H GLY 49 -14.693 5.005 1.541 346 HA2 GLY 49 1HA GLY 49 -16.068 6.837 3.070 347 HA3 GLY 49 2HA GLY 49 -16.631 5.202 2.761 348 H ALA 50 H ALA 50 -15.137 3.567 4.153 349 HA ALA 50 HA ALA 50 -15.968 3.907 6.811 350 HB1 ALA 50 1HB ALA 50 -13.679 2.109 6.372 351 HB2 ALA 50 2HB ALA 50 -15.246 1.797 7.120 352 HB3 ALA 50 3HB ALA 50 -15.094 1.803 5.364 353 H GLU 51 H GLU 51 -14.985 4.661 8.621 354 HA GLU 51 HA GLU 51 -12.210 5.601 8.398 355 HB2 GLU 51 1HB GLU 51 -14.571 7.164 9.446 356 HB3 GLU 51 2HB GLU 51 -12.900 7.619 9.747 357 HG2 GLU 51 1HG GLU 51 -12.649 7.574 7.189 358 HG3 GLU 51 2HG GLU 51 -14.411 7.614 7.167 359 H GLY 52 H GLY 52 -11.091 5.816 10.420 360 HA2 GLY 52 1HA GLY 52 -11.477 5.581 12.928 361 HA3 GLY 52 2HA GLY 52 -12.229 4.054 12.494 362 HA PRO 53 HA PRO 53 -7.469 3.808 13.027 363 HB2 PRO 53 1HB PRO 53 -7.326 3.005 15.616 364 HB3 PRO 53 2HB PRO 53 -7.259 4.704 15.132 365 HG2 PRO 53 1HG PRO 53 -9.575 3.123 16.179 366 HG3 PRO 53 2HG PRO 53 -9.066 4.770 16.593 367 HD2 PRO 53 1HD PRO 53 -11.098 4.261 14.877 368 HD3 PRO 53 2HD PRO 53 -10.042 5.679 14.714 369 H SER 54 H SER 54 -10.226 1.900 13.975 370 HA SER 54 HA SER 54 -8.704 -0.584 13.911 371 HB2 SER 54 1HB SER 54 -11.599 0.026 14.531 372 HB3 SER 54 2HB SER 54 -10.951 -1.613 14.459 373 HG SER 54 HG SER 54 -9.909 0.428 16.130 374 H SER 55 H SER 55 -11.193 1.108 12.075 375 HA SER 55 HA SER 55 -11.965 -0.842 10.290 376 HB2 SER 55 1HB SER 55 -13.128 1.198 10.159 377 HB3 SER 55 2HB SER 55 -11.645 2.137 9.990 378 HG SER 55 HG SER 55 -11.795 1.893 7.918 379 H VAL 56 H VAL 56 -9.100 1.226 10.177 380 HA VAL 56 HA VAL 56 -8.204 0.189 7.653 381 HB VAL 56 HB VAL 56 -7.526 2.410 8.170 382 HG11 VAL 56 1HG1 VAL 56 -7.666 2.601 10.487 383 HG12 VAL 56 2HG1 VAL 56 -6.590 1.230 10.762 384 HG13 VAL 56 3HG1 VAL 56 -5.940 2.758 10.166 385 HG21 VAL 56 1HG2 VAL 56 -5.032 2.216 8.140 386 HG22 VAL 56 2HG2 VAL 56 -5.219 0.486 8.423 387 HG23 VAL 56 3HG2 VAL 56 -5.856 1.212 6.947 388 H ARG 57 H ARG 57 -6.597 -1.290 7.251 389 HA ARG 57 HA ARG 57 -5.795 -2.943 9.551 390 HB2 ARG 57 1HB ARG 57 -6.118 -3.634 6.628 391 HB3 ARG 57 2HB ARG 57 -5.393 -4.718 7.808 392 HG2 ARG 57 1HG ARG 57 -7.632 -4.315 9.103 393 HG3 ARG 57 2HG ARG 57 -8.228 -3.868 7.503 394 HD2 ARG 57 1HD ARG 57 -7.627 -6.011 6.613 395 HD3 ARG 57 2HD ARG 57 -6.807 -6.454 8.110 396 HE ARG 57 HE ARG 57 -9.562 -5.840 8.532 397 HH11 ARG 57 2HH1 ARG 57 -7.370 -8.320 7.454 398 HH12 ARG 57 1HH1 ARG 57 -8.439 -9.623 7.858 399 HH21 ARG 57 2HH2 ARG 57 -10.979 -7.545 9.067 400 HH22 ARG 57 1HH2 ARG 57 -10.492 -9.181 8.774 401 H PHE 58 H PHE 58 -3.688 -4.264 8.867 402 HA PHE 58 HA PHE 58 -1.740 -2.446 7.648 403 HB2 PHE 58 1HB PHE 58 -1.736 -3.459 10.456 404 HB3 PHE 58 2HB PHE 58 -0.192 -3.308 9.623 405 HD1 PHE 58 2HD PHE 58 -3.302 -1.301 10.118 406 HD2 PHE 58 1HD PHE 58 0.950 -1.350 9.926 407 HE1 PHE 58 2HE PHE 58 -3.254 1.100 10.652 408 HE2 PHE 58 1HE PHE 58 1.005 1.051 10.461 409 HZ PHE 58 HZ PHE 58 -1.099 2.279 10.823 410 H LEU 59 H LEU 59 -0.026 -3.443 6.634 411 HA LEU 59 HA LEU 59 0.077 -6.377 6.733 412 HB2 LEU 59 1HB LEU 59 -1.152 -5.993 4.769 413 HB3 LEU 59 2HB LEU 59 -0.146 -4.621 4.310 414 HG LEU 59 HG LEU 59 1.716 -6.500 4.165 415 HD11 LEU 59 1HD1 LEU 59 0.896 -8.612 3.444 416 HD12 LEU 59 2HD1 LEU 59 -0.772 -8.041 3.459 417 HD13 LEU 59 3HD1 LEU 59 0.105 -8.239 4.976 418 HD21 LEU 59 1HD2 LEU 59 -0.273 -5.463 2.248 419 HD22 LEU 59 2HD2 LEU 59 0.639 -6.882 1.732 420 HD23 LEU 59 3HD2 LEU 59 1.489 -5.409 2.201 421 H LYS 60 H LYS 60 2.040 -6.941 7.371 422 HA LYS 60 HA LYS 60 4.300 -5.162 6.880 423 HB2 LYS 60 1HB LYS 60 3.756 -7.431 8.743 424 HB3 LYS 60 2HB LYS 60 5.427 -7.074 8.326 425 HG2 LYS 60 1HG LYS 60 5.315 -4.924 9.271 426 HG3 LYS 60 2HG LYS 60 3.552 -4.969 9.359 427 HD2 LYS 60 1HD LYS 60 3.631 -6.655 11.076 428 HD3 LYS 60 2HD LYS 60 5.383 -6.797 10.911 429 HE2 LYS 60 1HE LYS 60 5.441 -4.303 11.508 430 HE3 LYS 60 2HE LYS 60 3.777 -4.528 12.045 431 HZ1 LYS 60 1HZ LYS 60 6.073 -6.126 13.036 432 HZ2 LYS 60 2HZ LYS 60 4.489 -6.145 13.629 433 HZ3 LYS 60 3HZ LYS 60 5.451 -4.768 13.831 434 H THR 61 H THR 61 5.511 -5.443 5.139 435 HA THR 61 HA THR 61 6.165 -8.161 4.272 436 HB THR 61 HB THR 61 4.241 -7.338 2.885 437 HG1 THR 61 1HG THR 61 6.650 -7.637 1.396 438 HG21 THR 61 1HG2 THR 61 5.028 -4.942 2.881 439 HG22 THR 61 2HG2 THR 61 4.543 -5.577 1.308 440 HG23 THR 61 3HG2 THR 61 6.254 -5.426 1.710 441 H SER 62 H SER 62 8.278 -8.369 3.943 442 HA SER 62 HA SER 62 9.941 -5.981 3.874 443 HB2 SER 62 1HB SER 62 11.814 -7.520 4.237 444 HB3 SER 62 2HB SER 62 10.534 -7.816 5.412 445 HG SER 62 HG SER 62 11.506 -9.438 3.417 446 H GLU 63 H GLU 63 8.451 -6.290 1.561 447 HA GLU 63 HA GLU 63 10.588 -6.644 -0.396 448 HB2 GLU 63 1HB GLU 63 7.969 -8.122 -0.408 449 HB3 GLU 63 2HB GLU 63 8.841 -7.805 -1.901 450 HG2 GLU 63 1HG GLU 63 10.565 -9.219 -1.360 451 HG3 GLU 63 2HG GLU 63 10.275 -9.084 0.374 452 H ASN 64 H ASN 64 10.084 -5.666 -2.486 453 HA ASN 64 HA ASN 64 8.575 -3.217 -2.122 454 HB2 ASN 64 1HB ASN 64 9.765 -2.358 -3.910 455 HB3 ASN 64 2HB ASN 64 10.908 -3.545 -3.289 456 HD21 ASN 64 1HD2 ASN 64 10.217 -2.345 -6.017 457 HD22 ASN 64 2HD2 ASN 64 10.143 -3.725 -7.054 458 H ARG 65 H ARG 65 7.324 -5.961 -2.493 459 HA ARG 65 HA ARG 65 5.244 -5.079 -4.296 460 HB2 ARG 65 1HB ARG 65 5.315 -7.182 -5.638 461 HB3 ARG 65 2HB ARG 65 6.695 -6.124 -5.901 462 HG2 ARG 65 1HG ARG 65 7.922 -7.559 -4.198 463 HG3 ARG 65 2HG ARG 65 6.589 -8.702 -4.373 464 HD2 ARG 65 1HD ARG 65 8.271 -7.671 -6.653 465 HD3 ARG 65 2HD ARG 65 8.545 -9.203 -5.825 466 HE ARG 65 HE ARG 65 5.876 -8.989 -6.798 467 HH11 ARG 65 2HH1 ARG 65 9.153 -9.674 -7.753 468 HH12 ARG 65 1HH1 ARG 65 8.692 -10.663 -9.099 469 HH21 ARG 65 2HH2 ARG 65 5.257 -10.289 -8.566 470 HH22 ARG 65 1HH2 ARG 65 6.476 -11.011 -9.561 471 H ALA 66 H ALA 66 3.285 -5.863 -3.724 472 HA ALA 66 HA ALA 66 3.114 -8.226 -2.019 473 HB1 ALA 66 1HB ALA 66 1.537 -6.916 -0.491 474 HB2 ALA 66 2HB ALA 66 3.269 -6.627 -0.317 475 HB3 ALA 66 3HB ALA 66 2.265 -5.470 -1.190 476 H GLU 67 H GLU 67 0.832 -8.912 -1.682 477 HA GLU 67 HA GLU 67 -0.919 -8.029 -3.876 478 HB2 GLU 67 1HB GLU 67 0.198 -10.203 -4.393 479 HB3 GLU 67 2HB GLU 67 -0.574 -10.891 -2.971 480 HG2 GLU 67 1HG GLU 67 -2.659 -10.886 -3.926 481 HG3 GLU 67 2HG GLU 67 -2.262 -9.582 -5.044 482 H LEU 68 H LEU 68 -2.609 -7.078 -2.951 483 HA LEU 68 HA LEU 68 -3.524 -7.880 -0.322 484 HB2 LEU 68 1HB LEU 68 -4.597 -5.782 -2.202 485 HB3 LEU 68 2HB LEU 68 -5.072 -6.003 -0.520 486 HG LEU 68 HG LEU 68 -2.313 -5.205 -1.446 487 HD11 LEU 68 1HD1 LEU 68 -4.556 -3.556 -0.292 488 HD12 LEU 68 2HD1 LEU 68 -3.888 -3.437 -1.919 489 HD13 LEU 68 3HD1 LEU 68 -2.900 -2.996 -0.527 490 HD21 LEU 68 1HD2 LEU 68 -2.814 -4.528 1.243 491 HD22 LEU 68 2HD2 LEU 68 -1.669 -5.713 0.614 492 HD23 LEU 68 3HD2 LEU 68 -3.308 -6.208 1.037 493 H ARG 69 H ARG 69 -4.466 -9.880 -0.515 494 HA ARG 69 HA ARG 69 -6.503 -10.338 -2.532 495 HB2 ARG 69 1HB ARG 69 -5.422 -12.105 -0.331 496 HB3 ARG 69 2HB ARG 69 -6.626 -12.609 -1.509 497 HG2 ARG 69 1HG ARG 69 -4.900 -11.980 -3.281 498 HG3 ARG 69 2HG ARG 69 -3.738 -11.945 -1.953 499 HD2 ARG 69 1HD ARG 69 -5.511 -14.322 -2.281 500 HD3 ARG 69 2HD ARG 69 -4.120 -14.133 -3.348 501 HE ARG 69 HE ARG 69 -3.209 -13.762 -0.755 502 HH11 ARG 69 2HH1 ARG 69 -4.654 -16.297 -2.653 503 HH12 ARG 69 1HH1 ARG 69 -3.885 -17.575 -1.772 504 HH21 ARG 69 2HH2 ARG 69 -2.190 -15.436 0.414 505 HH22 ARG 69 1HH2 ARG 69 -2.484 -17.084 -0.027 506 H GLY 70 H GLY 70 -8.676 -10.514 -2.175 507 HA2 GLY 70 1HA GLY 70 -10.673 -10.554 -0.981 508 HA3 GLY 70 2HA GLY 70 -9.749 -10.493 0.513 509 H LEU 71 H LEU 71 -10.994 -8.560 -2.158 510 HA LEU 71 HA LEU 71 -11.234 -6.294 -0.332 511 HB2 LEU 71 1HB LEU 71 -9.900 -6.154 -3.030 512 HB3 LEU 71 2HB LEU 71 -10.377 -4.752 -2.074 513 HG LEU 71 HG LEU 71 -8.388 -6.811 -1.131 514 HD11 LEU 71 1HD1 LEU 71 -6.632 -5.438 -1.865 515 HD12 LEU 71 2HD1 LEU 71 -7.718 -4.099 -2.235 516 HD13 LEU 71 3HD1 LEU 71 -7.732 -5.549 -3.240 517 HD21 LEU 71 1HD2 LEU 71 -7.810 -4.533 0.168 518 HD22 LEU 71 2HD2 LEU 71 -8.923 -5.752 0.791 519 HD23 LEU 71 3HD2 LEU 71 -9.549 -4.327 -0.040 520 H LYS 72 H LYS 72 -12.355 -4.412 -1.704 521 HA LYS 72 HA LYS 72 -14.681 -5.674 -2.991 522 HB2 LYS 72 1HB LYS 72 -14.357 -3.207 -1.320 523 HB3 LYS 72 2HB LYS 72 -15.701 -3.328 -2.447 524 HG2 LYS 72 1HG LYS 72 -15.181 -5.511 -0.473 525 HG3 LYS 72 2HG LYS 72 -16.041 -4.046 0.007 526 HD2 LYS 72 1HD LYS 72 -17.422 -4.584 -2.191 527 HD3 LYS 72 2HD LYS 72 -16.866 -6.223 -1.845 528 HE2 LYS 72 1HE LYS 72 -17.705 -5.711 0.562 529 HE3 LYS 72 2HE LYS 72 -18.633 -4.434 -0.222 530 HZ1 LYS 72 1HZ LYS 72 -19.979 -5.914 -1.248 531 HZ2 LYS 72 2HZ LYS 72 -19.561 -6.879 0.077 532 HZ3 LYS 72 3HZ LYS 72 -18.778 -7.095 -1.407 533 H ARG 73 H ARG 73 -14.368 -5.651 -5.137 534 HA ARG 73 HA ARG 73 -12.857 -3.736 -6.543 535 HB2 ARG 73 1HB ARG 73 -13.459 -6.067 -7.317 536 HB3 ARG 73 2HB ARG 73 -15.060 -5.445 -7.695 537 HG2 ARG 73 1HG ARG 73 -12.705 -4.038 -8.831 538 HG3 ARG 73 2HG ARG 73 -13.167 -5.597 -9.516 539 HD2 ARG 73 1HD ARG 73 -15.427 -4.758 -9.910 540 HD3 ARG 73 2HD ARG 73 -14.978 -3.205 -9.208 541 HE ARG 73 HE ARG 73 -14.050 -2.638 -11.210 542 HH11 ARG 73 2HH1 ARG 73 -14.294 -6.107 -11.045 543 HH12 ARG 73 1HH1 ARG 73 -13.751 -6.353 -12.672 544 HH21 ARG 73 2HH2 ARG 73 -13.334 -2.948 -13.353 545 HH22 ARG 73 1HH2 ARG 73 -13.204 -4.555 -13.984 546 H GLY 74 H GLY 74 -13.422 -1.928 -7.702 547 HA2 GLY 74 1HA GLY 74 -14.844 -0.300 -8.598 548 HA3 GLY 74 2HA GLY 74 -16.213 -1.129 -7.872 549 H ALA 75 H ALA 75 -15.085 -1.237 -5.215 550 HA ALA 75 HA ALA 75 -15.947 1.319 -4.288 551 HB1 ALA 75 1HB ALA 75 -16.122 0.328 -2.284 552 HB2 ALA 75 2HB ALA 75 -15.851 -1.164 -3.185 553 HB3 ALA 75 3HB ALA 75 -14.504 -0.367 -2.373 554 H SER 76 H SER 76 -14.792 3.031 -3.548 555 HA SER 76 HA SER 76 -12.163 3.418 -4.465 556 HB2 SER 76 1HB SER 76 -13.606 4.971 -2.303 557 HB3 SER 76 2HB SER 76 -12.227 5.528 -3.251 558 HG SER 76 HG SER 76 -14.821 5.674 -3.849 559 H TYR 77 H TYR 77 -10.234 2.983 -3.604 560 HA TYR 77 HA TYR 77 -10.077 2.319 -0.744 561 HB2 TYR 77 1HB TYR 77 -9.266 0.660 -3.082 562 HB3 TYR 77 2HB TYR 77 -8.230 0.628 -1.659 563 HD1 TYR 77 1HD TYR 77 -9.296 0.016 0.577 564 HD2 TYR 77 2HD TYR 77 -11.225 -0.624 -3.161 565 HE1 TYR 77 1HE TYR 77 -10.795 -1.621 1.637 566 HE2 TYR 77 2HE TYR 77 -12.730 -2.262 -2.111 567 HH TYR 77 HH TYR 77 -13.283 -2.505 1.025 568 H LEU 78 H LEU 78 -8.671 3.602 0.230 569 HA LEU 78 HA LEU 78 -6.562 4.878 -1.357 570 HB2 LEU 78 1HB LEU 78 -7.680 5.522 1.366 571 HB3 LEU 78 2HB LEU 78 -6.342 6.385 0.612 572 HG LEU 78 HG LEU 78 -9.020 6.218 -0.729 573 HD11 LEU 78 1HD1 LEU 78 -9.844 7.224 1.121 574 HD12 LEU 78 2HD1 LEU 78 -9.117 8.649 0.378 575 HD13 LEU 78 3HD1 LEU 78 -8.261 7.788 1.657 576 HD21 LEU 78 1HD2 LEU 78 -6.891 7.019 -1.875 577 HD22 LEU 78 2HD2 LEU 78 -6.974 8.417 -0.803 578 HD23 LEU 78 3HD2 LEU 78 -8.287 8.095 -1.935 579 H VAL 79 H VAL 79 -4.913 3.421 -1.436 580 HA VAL 79 HA VAL 79 -3.986 2.187 1.048 581 HB VAL 79 HB VAL 79 -3.037 1.744 -1.787 582 HG11 VAL 79 1HG1 VAL 79 -1.823 -0.138 -0.943 583 HG12 VAL 79 2HG1 VAL 79 -1.369 1.276 0.010 584 HG13 VAL 79 3HG1 VAL 79 -2.493 0.089 0.672 585 HG21 VAL 79 1HG2 VAL 79 -4.522 -0.331 -0.283 586 HG22 VAL 79 2HG2 VAL 79 -5.451 1.036 -0.898 587 HG23 VAL 79 3HG2 VAL 79 -4.517 0.033 -2.008 588 H GLN 80 H GLN 80 -2.038 2.610 1.981 589 HA GLN 80 HA GLN 80 -0.325 4.628 0.697 590 HB2 GLN 80 1HB GLN 80 -1.467 4.613 3.463 591 HB3 GLN 80 2HB GLN 80 0.104 5.353 3.182 592 HG2 GLN 80 1HG GLN 80 -1.233 7.167 2.912 593 HG3 GLN 80 2HG GLN 80 -1.193 6.579 1.250 594 HE21 GLN 80 1HE2 GLN 80 -3.160 7.575 0.787 595 HE22 GLN 80 2HE2 GLN 80 -4.662 6.944 1.362 596 H VAL 81 H VAL 81 1.645 3.853 0.387 597 HA VAL 81 HA VAL 81 2.609 1.685 2.123 598 HB VAL 81 HB VAL 81 3.580 2.520 -0.614 599 HG11 VAL 81 1HG1 VAL 81 4.533 0.491 1.357 600 HG12 VAL 81 2HG1 VAL 81 4.697 0.174 -0.372 601 HG13 VAL 81 3HG1 VAL 81 5.462 1.595 0.342 602 HG21 VAL 81 1HG2 VAL 81 2.638 0.293 -1.279 603 HG22 VAL 81 2HG2 VAL 81 1.870 0.216 0.307 604 HG23 VAL 81 3HG2 VAL 81 1.434 1.499 -0.821 605 H ARG 82 H ARG 82 4.693 1.745 3.002 606 HA ARG 82 HA ARG 82 6.147 4.283 2.809 607 HB2 ARG 82 1HB ARG 82 6.416 4.430 5.208 608 HB3 ARG 82 2HB ARG 82 4.702 4.372 4.820 609 HG2 ARG 82 1HG ARG 82 4.431 2.269 5.703 610 HG3 ARG 82 2HG ARG 82 6.130 1.843 5.485 611 HD2 ARG 82 1HD ARG 82 6.120 2.167 7.740 612 HD3 ARG 82 2HD ARG 82 6.466 3.815 7.218 613 HE ARG 82 HE ARG 82 3.661 3.212 7.538 614 HH11 ARG 82 2HH1 ARG 82 6.566 4.384 9.058 615 HH12 ARG 82 1HH1 ARG 82 5.723 5.260 10.292 616 HH21 ARG 82 2HH2 ARG 82 2.540 4.362 9.158 617 HH22 ARG 82 1HH2 ARG 82 3.433 5.246 10.349 618 H ALA 83 H ALA 83 8.314 4.052 4.056 619 HA ALA 83 HA ALA 83 9.411 1.364 3.538 620 HB1 ALA 83 1HB ALA 83 11.409 2.304 2.678 621 HB2 ALA 83 2HB ALA 83 10.076 3.131 1.871 622 HB3 ALA 83 3HB ALA 83 10.944 3.929 3.183 623 H ARG 84 H ARG 84 11.452 0.925 4.743 624 HA ARG 84 HA ARG 84 11.611 2.361 7.298 625 HB2 ARG 84 1HB ARG 84 10.221 0.370 7.661 626 HB3 ARG 84 2HB ARG 84 11.496 -0.645 7.002 627 HG2 ARG 84 1HG ARG 84 12.916 0.488 8.910 628 HG3 ARG 84 2HG ARG 84 11.322 0.718 9.633 629 HD2 ARG 84 1HD ARG 84 12.511 -1.902 8.727 630 HD3 ARG 84 2HD ARG 84 12.332 -1.363 10.396 631 HE ARG 84 HE ARG 84 9.825 -1.339 9.103 632 HH11 ARG 84 2HH1 ARG 84 12.205 -3.536 10.379 633 HH12 ARG 84 1HH1 ARG 84 11.055 -4.783 10.731 634 HH21 ARG 84 2HH2 ARG 84 8.301 -2.973 9.561 635 HH22 ARG 84 1HH2 ARG 84 8.835 -4.463 10.264 636 H SER 85 H SER 85 13.633 2.820 7.893 637 HA SER 85 HA SER 85 15.832 1.317 6.633 638 HB2 SER 85 1HB SER 85 15.312 3.815 5.899 639 HB3 SER 85 2HB SER 85 16.221 4.187 7.364 640 HG SER 85 HG SER 85 17.641 2.383 6.180 641 H GLU 86 H GLU 86 17.907 1.494 7.835 642 HA GLU 86 HA GLU 86 17.746 0.541 10.394 643 HB2 GLU 86 1HB GLU 86 19.932 2.024 8.964 644 HB3 GLU 86 2HB GLU 86 20.143 1.498 10.628 645 HG2 GLU 86 1HG GLU 86 20.222 -0.710 10.074 646 HG3 GLU 86 2HG GLU 86 19.217 -0.501 8.641 647 H ALA 87 H ALA 87 17.521 3.832 9.338 648 HA ALA 87 HA ALA 87 18.062 5.063 11.850 649 HB1 ALA 87 1HB ALA 87 17.236 7.091 10.842 650 HB2 ALA 87 2HB ALA 87 18.252 6.235 9.681 651 HB3 ALA 87 3HB ALA 87 16.496 6.177 9.527 652 H GLY 88 H GLY 88 15.026 4.422 10.086 653 HA2 GLY 88 1HA GLY 88 13.494 3.484 12.131 654 HA3 GLY 88 2HA GLY 88 13.415 5.228 12.333 655 H TYR 89 H TYR 89 11.075 4.123 11.945 656 HA TYR 89 HA TYR 89 10.239 3.575 9.338 657 HB2 TYR 89 1HB TYR 89 8.890 4.428 11.851 658 HB3 TYR 89 2HB TYR 89 7.983 4.578 10.351 659 HD1 TYR 89 2HD TYR 89 7.743 2.489 8.895 660 HD2 TYR 89 1HD TYR 89 9.059 2.361 12.939 661 HE1 TYR 89 2HE TYR 89 7.163 0.102 9.002 662 HE2 TYR 89 1HE TYR 89 8.484 -0.027 13.057 663 HH TYR 89 HH TYR 89 7.688 -1.786 11.968 664 H GLY 90 H GLY 90 9.465 4.809 7.671 665 HA2 GLY 90 1HA GLY 90 10.049 7.687 7.866 666 HA3 GLY 90 2HA GLY 90 10.002 6.757 6.376 667 HA PRO 91 HA PRO 91 5.884 8.955 7.380 668 HB2 PRO 91 1HB PRO 91 6.118 11.071 5.695 669 HB3 PRO 91 2HB PRO 91 6.646 11.122 7.381 670 HG2 PRO 91 1HG PRO 91 8.267 10.694 4.901 671 HG3 PRO 91 2HG PRO 91 8.632 11.697 6.317 672 HD2 PRO 91 1HD PRO 91 9.716 9.243 5.953 673 HD3 PRO 91 2HD PRO 91 9.355 9.898 7.563 674 H PHE 92 H PHE 92 4.095 9.121 5.907 675 HA PHE 92 HA PHE 92 4.315 7.292 3.699 676 HB2 PHE 92 1HB PHE 92 2.062 8.786 4.998 677 HB3 PHE 92 2HB PHE 92 1.819 8.018 3.433 678 HD1 PHE 92 1HD PHE 92 2.754 5.505 3.357 679 HD2 PHE 92 2HD PHE 92 1.474 7.578 6.848 680 HE1 PHE 92 1HE PHE 92 2.333 3.354 4.476 681 HE2 PHE 92 2HE PHE 92 1.052 5.431 7.972 682 HZ PHE 92 HZ PHE 92 1.483 3.315 6.787 683 H GLY 93 H GLY 93 3.445 7.808 1.535 684 HA2 GLY 93 1HA GLY 93 4.322 10.503 0.728 685 HA3 GLY 93 2HA GLY 93 4.331 9.085 -0.310 686 H GLN 94 H GLN 94 3.228 10.645 -1.772 687 HA GLN 94 HA GLN 94 0.692 11.696 -1.284 688 HB2 GLN 94 1HB GLN 94 2.170 10.927 -3.774 689 HB3 GLN 94 2HB GLN 94 0.490 11.436 -3.878 690 HG2 GLN 94 1HG GLN 94 1.158 13.524 -2.650 691 HG3 GLN 94 2HG GLN 94 2.834 13.020 -2.869 692 HE21 GLN 94 1HE2 GLN 94 3.030 15.049 -4.020 693 HE22 GLN 94 2HE2 GLN 94 2.576 15.125 -5.685 694 H GLU 95 H GLU 95 -1.135 10.692 -0.804 695 HA GLU 95 HA GLU 95 -1.695 8.084 -0.601 696 HB2 GLU 95 1HB GLU 95 -4.042 8.578 -0.822 697 HB3 GLU 95 2HB GLU 95 -3.256 9.931 -0.022 698 HG2 GLU 95 1HG GLU 95 -3.105 10.853 -2.486 699 HG3 GLU 95 2HG GLU 95 -4.474 9.769 -2.722 700 H HIS 96 H HIS 96 -2.281 6.363 -1.848 701 HA HIS 96 HA HIS 96 -1.898 6.689 -4.737 702 HB2 HIS 96 1HB HIS 96 -0.444 5.023 -3.969 703 HB3 HIS 96 2HB HIS 96 -1.640 4.355 -2.862 704 HD1 HIS 96 1HD HIS 96 -0.870 4.514 -6.563 705 HD2 HIS 96 2HD HIS 96 -3.114 2.283 -3.870 706 HE1 HIS 96 1HE HIS 96 -1.755 2.562 -7.880 707 HE2 HIS 96 2HE HIS 96 -3.179 1.273 -6.251 708 H HIS 97 H HIS 97 -3.502 6.382 -6.159 709 HA HIS 97 HA HIS 97 -6.087 5.435 -5.111 710 HB2 HIS 97 1HB HIS 97 -5.746 7.862 -6.052 711 HB3 HIS 97 2HB HIS 97 -5.859 7.061 -7.617 712 HD1 HIS 97 1HD HIS 97 -8.140 7.375 -8.494 713 HD2 HIS 97 2HD HIS 97 -8.151 6.709 -4.393 714 HE1 HIS 97 1HE HIS 97 -10.564 7.345 -7.824 715 HE2 HIS 97 2HE HIS 97 -10.543 7.026 -5.325 716 H SER 98 H SER 98 -6.151 3.313 -5.603 717 HA SER 98 HA SER 98 -5.004 2.142 -7.900 718 HB2 SER 98 1HB SER 98 -5.606 0.947 -5.760 719 HB3 SER 98 2HB SER 98 -7.291 1.014 -6.273 720 HG SER 98 HG SER 98 -5.435 0.001 -8.088 721 H GLN 99 H GLN 99 -6.150 1.055 -9.650 722 HA GLN 99 HA GLN 99 -8.307 2.741 -10.665 723 HB2 GLN 99 1HB GLN 99 -6.656 0.622 -12.053 724 HB3 GLN 99 2HB GLN 99 -7.847 1.656 -12.830 725 HG2 GLN 99 1HG GLN 99 -6.525 3.547 -12.635 726 HG3 GLN 99 2HG GLN 99 -5.545 2.849 -11.347 727 HE21 GLN 99 1HE2 GLN 99 -4.515 4.091 -13.646 728 HE22 GLN 99 2HE2 GLN 99 -3.659 2.903 -14.563 729 H THR 100 H THR 100 -9.283 1.264 -8.669 730 HA THR 100 HA THR 100 -10.400 -1.211 -9.697 731 HB THR 100 HB THR 100 -11.495 -1.378 -7.472 732 HG1 THR 100 1HG THR 100 -9.971 0.897 -6.729 733 HG21 THR 100 1HG2 THR 100 -9.500 -2.508 -7.414 734 HG22 THR 100 2HG2 THR 100 -9.194 -1.293 -6.174 735 HG23 THR 100 3HG2 THR 100 -8.551 -1.074 -7.801 736 H GLN 101 H GLN 101 -11.368 2.092 -9.138 737 HA GLN 101 HA GLN 101 -14.178 1.519 -9.565 738 HB2 GLN 101 1HB GLN 101 -14.511 3.916 -9.253 739 HB3 GLN 101 2HB GLN 101 -13.522 3.254 -7.959 740 HG2 GLN 101 1HG GLN 101 -12.202 4.467 -10.339 741 HG3 GLN 101 2HG GLN 101 -12.885 5.509 -9.092 742 HE21 GLN 101 1HE2 GLN 101 -10.114 5.165 -9.869 743 HE22 GLN 101 2HE2 GLN 101 -9.271 4.641 -8.455 744 H LEU 102 H LEU 102 -12.079 1.054 -11.665 745 HA LEU 102 HA LEU 102 -11.699 1.441 -13.889 746 HB2 LEU 102 1HB LEU 102 -14.693 1.734 -13.730 747 HB3 LEU 102 2HB LEU 102 -13.790 1.545 -15.231 748 HG LEU 102 HG LEU 102 -13.538 -0.531 -13.098 749 HD11 LEU 102 1HD1 LEU 102 -15.921 -0.013 -14.814 750 HD12 LEU 102 2HD1 LEU 102 -15.834 -0.574 -13.145 751 HD13 LEU 102 3HD1 LEU 102 -15.446 -1.676 -14.466 752 HD21 LEU 102 1HD2 LEU 102 -13.739 -1.632 -15.654 753 HD22 LEU 102 2HD2 LEU 102 -12.273 -1.412 -14.697 754 HD23 LEU 102 3HD2 LEU 102 -12.768 -0.172 -15.851 755 H ASP 103 H ASP 103 -11.143 3.718 -12.457 756 HA ASP 103 HA ASP 103 -12.483 6.020 -13.456 757 HB2 ASP 103 1HB ASP 103 -11.378 6.367 -11.422 758 HB3 ASP 103 2HB ASP 103 -9.911 5.564 -11.973 759 H SER 104 H SER 104 -9.405 4.447 -14.276 760 HA SER 104 HA SER 104 -9.600 5.190 -17.013 761 HB2 SER 104 1HB SER 104 -8.917 7.372 -16.351 762 HB3 SER 104 2HB SER 104 -7.695 6.734 -15.252 763 HG SER 104 HG SER 104 -7.499 6.046 -17.948 764 H GLY 105 H GLY 105 -8.233 3.998 -18.285 765 HA2 GLY 105 1HA GLY 105 -6.969 1.749 -17.070 766 HA3 GLY 105 2HA GLY 105 -6.939 2.159 -18.779 767 HA PRO 106 HA PRO 106 -2.634 2.649 -17.218 768 HB2 PRO 106 1HB PRO 106 -1.478 1.594 -19.436 769 HB3 PRO 106 2HB PRO 106 -2.057 0.604 -18.091 770 HG2 PRO 106 1HG PRO 106 -3.380 1.201 -20.709 771 HG3 PRO 106 2HG PRO 106 -3.268 -0.339 -19.838 772 HD2 PRO 106 1HD PRO 106 -5.489 1.208 -19.781 773 HD3 PRO 106 2HD PRO 106 -4.992 0.200 -18.406 774 H SER 107 H SER 107 -3.770 3.158 -20.559 775 HA SER 107 HA SER 107 -3.159 4.726 -22.124 776 HB2 SER 107 1HB SER 107 -3.895 6.250 -19.642 777 HB3 SER 107 2HB SER 107 -3.396 7.114 -21.096 778 HG SER 107 HG SER 107 -5.307 6.763 -21.867 779 H SER 108 H SER 108 -0.884 3.530 -21.186 780 HA SER 108 HA SER 108 1.372 3.767 -20.993 781 HB2 SER 108 1HB SER 108 0.609 6.245 -22.526 782 HB3 SER 108 2HB SER 108 2.290 5.901 -22.120 783 HG SER 108 HG SER 108 0.584 4.613 -23.902 784 H GLY 109 H GLY 109 -0.030 4.424 -18.687 785 HA2 GLY 109 1HA GLY 109 0.655 5.214 -16.605 786 HA3 GLY 109 2HA GLY 109 1.907 6.155 -17.401 Start of MODEL 5 1 H1 GLY 1 H GLY 1 22.694 22.182 11.703 2 HA2 GLY 1 1HA GLY 1 21.109 20.107 11.025 3 HA3 GLY 1 2HA GLY 1 22.090 20.087 12.484 4 H SER 2 H SER 2 20.120 18.569 12.883 5 HA SER 2 HA SER 2 18.250 20.100 14.527 6 HB2 SER 2 1HB SER 2 16.331 18.768 13.697 7 HB3 SER 2 2HB SER 2 17.049 19.762 12.429 8 HG SER 2 HG SER 2 16.664 17.647 11.691 9 H SER 3 H SER 3 16.996 18.656 16.006 10 HA SER 3 HA SER 3 18.624 16.319 16.769 11 HB2 SER 3 1HB SER 3 18.214 16.795 19.070 12 HB3 SER 3 2HB SER 3 18.689 18.323 18.330 13 HG SER 3 HG SER 3 16.275 18.572 18.062 14 H GLY 4 H GLY 4 17.240 15.032 15.389 15 HA2 GLY 4 1HA GLY 4 14.948 14.031 16.858 16 HA3 GLY 4 2HA GLY 4 14.570 14.747 15.298 17 H SER 5 H SER 5 14.196 13.190 13.875 18 HA SER 5 HA SER 5 16.185 11.069 13.565 19 HB2 SER 5 1HB SER 5 14.263 10.245 15.004 20 HB3 SER 5 2HB SER 5 13.229 10.443 13.589 21 HG SER 5 HG SER 5 13.950 8.601 12.915 22 H SER 6 H SER 6 16.522 10.445 11.483 23 HA SER 6 HA SER 6 14.752 11.588 9.426 24 HB2 SER 6 1HB SER 6 17.740 11.737 9.653 25 HB3 SER 6 2HB SER 6 16.983 11.740 8.061 26 HG SER 6 HG SER 6 16.068 13.489 10.065 27 H GLY 7 H GLY 7 13.899 10.060 8.191 28 HA2 GLY 7 1HA GLY 7 15.388 7.527 7.881 29 HA3 GLY 7 2HA GLY 7 13.635 7.644 7.891 30 HA PRO 8 HA PRO 8 15.067 7.493 3.481 31 HB2 PRO 8 1HB PRO 8 13.258 5.622 2.710 32 HB3 PRO 8 2HB PRO 8 14.831 5.209 3.400 33 HG2 PRO 8 1HG PRO 8 12.149 5.308 4.725 34 HG3 PRO 8 2HG PRO 8 13.432 4.094 4.885 35 HD2 PRO 8 1HD PRO 8 13.027 6.040 6.725 36 HD3 PRO 8 2HD PRO 8 14.638 5.383 6.368 37 HA PRO 9 HA PRO 9 11.905 10.102 1.889 38 HB2 PRO 9 1HB PRO 9 11.903 9.447 -0.746 39 HB3 PRO 9 2HB PRO 9 13.207 10.366 0.015 40 HG2 PRO 9 1HG PRO 9 13.081 7.449 -0.645 41 HG3 PRO 9 2HG PRO 9 14.422 8.588 -0.862 42 HD2 PRO 9 1HD PRO 9 14.307 6.851 1.212 43 HD3 PRO 9 2HD PRO 9 15.061 8.453 1.348 44 H ALA 10 H ALA 10 9.731 10.142 1.528 45 HA ALA 10 HA ALA 10 8.156 7.928 2.060 46 HB1 ALA 10 1HB ALA 10 7.673 10.570 1.812 47 HB2 ALA 10 2HB ALA 10 6.913 9.967 0.339 48 HB3 ALA 10 3HB ALA 10 6.410 9.343 1.910 49 H VAL 11 H VAL 11 7.741 6.158 0.927 50 HA VAL 11 HA VAL 11 8.659 5.397 -1.476 51 HB VAL 11 HB VAL 11 5.885 4.742 -0.471 52 HG11 VAL 11 1HG1 VAL 11 5.836 2.929 -1.918 53 HG12 VAL 11 2HG1 VAL 11 6.563 4.196 -2.908 54 HG13 VAL 11 3HG1 VAL 11 7.581 2.957 -2.173 55 HG21 VAL 11 1HG2 VAL 11 8.352 4.236 0.720 56 HG22 VAL 11 2HG2 VAL 11 6.812 3.466 1.101 57 HG23 VAL 11 3HG2 VAL 11 7.906 2.720 -0.064 58 H SER 12 H SER 12 8.502 6.072 -3.504 59 HA SER 12 HA SER 12 6.100 7.584 -4.301 60 HB2 SER 12 1HB SER 12 7.535 8.891 -5.821 61 HB3 SER 12 2HB SER 12 8.055 9.060 -4.144 62 HG SER 12 HG SER 12 9.439 8.148 -6.253 63 H ASP 13 H ASP 13 6.106 7.712 -6.863 64 HA ASP 13 HA ASP 13 5.490 6.509 -8.708 65 HB2 ASP 13 1HB ASP 13 8.104 6.616 -8.673 66 HB3 ASP 13 2HB ASP 13 7.988 4.889 -8.344 67 H ILE 14 H ILE 14 4.028 5.550 -6.751 68 HA ILE 14 HA ILE 14 4.388 2.647 -6.625 69 HB ILE 14 HB ILE 14 2.245 4.227 -5.219 70 HG12 ILE 14 1HG1 ILE 14 4.835 3.448 -3.914 71 HG13 ILE 14 2HG1 ILE 14 4.706 4.969 -4.791 72 HG21 ILE 14 1HG2 ILE 14 2.043 1.751 -5.395 73 HG22 ILE 14 2HG2 ILE 14 3.555 1.611 -4.499 74 HG23 ILE 14 3HG2 ILE 14 2.144 2.346 -3.738 75 HD11 ILE 14 1HD1 ILE 14 4.332 5.088 -2.312 76 HD12 ILE 14 2HD1 ILE 14 3.055 5.782 -3.312 77 HD13 ILE 14 3HD1 ILE 14 2.834 4.195 -2.575 78 H ARG 15 H ARG 15 3.697 1.858 -8.565 79 HA ARG 15 HA ARG 15 0.989 2.587 -9.447 80 HB2 ARG 15 1HB ARG 15 2.812 2.905 -11.089 81 HB3 ARG 15 2HB ARG 15 3.183 1.189 -10.986 82 HG2 ARG 15 1HG ARG 15 1.908 1.447 -12.937 83 HG3 ARG 15 2HG ARG 15 0.803 0.771 -11.739 84 HD2 ARG 15 1HD ARG 15 -0.091 3.001 -11.300 85 HD3 ARG 15 2HD ARG 15 1.026 3.686 -12.480 86 HE ARG 15 HE ARG 15 -0.712 1.628 -13.517 87 HH11 ARG 15 2HH1 ARG 15 -0.281 5.033 -12.935 88 HH12 ARG 15 1HH1 ARG 15 -1.414 5.518 -14.153 89 HH21 ARG 15 2HH2 ARG 15 -2.206 2.253 -15.123 90 HH22 ARG 15 1HH2 ARG 15 -2.509 3.936 -15.396 91 H VAL 16 H VAL 16 -0.614 1.118 -9.488 92 HA VAL 16 HA VAL 16 -0.159 -1.432 -8.215 93 HB VAL 16 HB VAL 16 -2.625 -0.020 -9.197 94 HG11 VAL 16 1HG1 VAL 16 -3.437 -2.079 -9.653 95 HG12 VAL 16 2HG1 VAL 16 -2.248 -2.893 -8.634 96 HG13 VAL 16 3HG1 VAL 16 -3.664 -2.133 -7.905 97 HG21 VAL 16 1HG2 VAL 16 -2.120 0.828 -7.123 98 HG22 VAL 16 2HG2 VAL 16 -3.158 -0.527 -6.678 99 HG23 VAL 16 3HG2 VAL 16 -1.405 -0.682 -6.558 100 H THR 17 H THR 17 0.438 -3.185 -9.287 101 HA THR 17 HA THR 17 -0.382 -3.467 -12.104 102 HB THR 17 HB THR 17 2.059 -3.240 -11.827 103 HG1 THR 17 1HG THR 17 2.554 -5.075 -13.077 104 HG21 THR 17 1HG2 THR 17 2.704 -5.804 -10.794 105 HG22 THR 17 2HG2 THR 17 1.616 -5.020 -9.648 106 HG23 THR 17 3HG2 THR 17 3.113 -4.222 -10.130 107 H ARG 18 H ARG 18 -0.474 -5.799 -12.831 108 HA ARG 18 HA ARG 18 -1.660 -7.748 -12.729 109 HB2 ARG 18 1HB ARG 18 0.512 -8.255 -11.513 110 HB3 ARG 18 2HB ARG 18 -0.384 -8.052 -10.013 111 HG2 ARG 18 1HG ARG 18 -1.661 -9.954 -10.367 112 HG3 ARG 18 2HG ARG 18 -1.335 -9.968 -12.101 113 HD2 ARG 18 1HD ARG 18 0.725 -10.485 -9.960 114 HD3 ARG 18 2HD ARG 18 -0.135 -11.743 -10.848 115 HE ARG 18 HE ARG 18 1.029 -10.096 -12.742 116 HH11 ARG 18 2HH1 ARG 18 2.078 -12.160 -10.142 117 HH12 ARG 18 1HH1 ARG 18 3.592 -12.550 -10.888 118 HH21 ARG 18 2HH2 ARG 18 3.019 -10.602 -13.735 119 HH22 ARG 18 1HH2 ARG 18 4.126 -11.663 -12.932 120 H SER 19 H SER 19 -3.360 -5.792 -12.181 121 HA SER 19 HA SER 19 -4.614 -5.766 -9.683 122 HB2 SER 19 1HB SER 19 -6.574 -4.837 -10.898 123 HB3 SER 19 2HB SER 19 -5.063 -4.050 -11.350 124 HG SER 19 HG SER 19 -5.825 -6.249 -12.866 125 H SER 20 H SER 20 -6.853 -6.556 -9.236 126 HA SER 20 HA SER 20 -7.554 -9.057 -10.560 127 HB2 SER 20 1HB SER 20 -6.579 -8.824 -7.747 128 HB3 SER 20 2HB SER 20 -7.870 -9.975 -8.090 129 HG SER 20 HG SER 20 -6.404 -10.719 -9.839 130 HA PRO 21 HA PRO 21 -11.692 -7.801 -9.827 131 HB2 PRO 21 1HB PRO 21 -12.948 -10.173 -9.422 132 HB3 PRO 21 2HB PRO 21 -12.358 -9.657 -11.007 133 HG2 PRO 21 1HG PRO 21 -11.100 -11.523 -9.033 134 HG3 PRO 21 2HG PRO 21 -11.232 -11.680 -10.794 135 HD2 PRO 21 1HD PRO 21 -8.963 -10.848 -9.572 136 HD3 PRO 21 2HD PRO 21 -9.448 -10.272 -11.180 137 H SER 22 H SER 22 -10.327 -10.034 -7.454 138 HA SER 22 HA SER 22 -11.892 -8.663 -5.371 139 HB2 SER 22 1HB SER 22 -11.454 -11.609 -5.775 140 HB3 SER 22 2HB SER 22 -11.755 -10.962 -4.162 141 HG SER 22 HG SER 22 -13.541 -11.568 -5.962 142 H SER 23 H SER 23 -9.076 -8.458 -6.463 143 HA SER 23 HA SER 23 -7.778 -8.252 -3.890 144 HB2 SER 23 1HB SER 23 -6.468 -9.963 -6.011 145 HB3 SER 23 2HB SER 23 -5.913 -9.683 -4.361 146 HG SER 23 HG SER 23 -6.935 -11.660 -4.416 147 H LEU 24 H LEU 24 -5.564 -7.279 -4.120 148 HA LEU 24 HA LEU 24 -5.073 -5.871 -6.612 149 HB2 LEU 24 1HB LEU 24 -5.584 -4.413 -4.023 150 HB3 LEU 24 2HB LEU 24 -4.973 -3.675 -5.502 151 HG LEU 24 HG LEU 24 -7.676 -4.990 -5.262 152 HD11 LEU 24 1HD1 LEU 24 -7.486 -2.070 -5.539 153 HD12 LEU 24 2HD1 LEU 24 -6.995 -2.716 -3.973 154 HD13 LEU 24 3HD1 LEU 24 -8.608 -3.056 -4.600 155 HD21 LEU 24 1HD2 LEU 24 -8.143 -3.952 -7.370 156 HD22 LEU 24 2HD2 LEU 24 -6.649 -4.876 -7.527 157 HD23 LEU 24 3HD2 LEU 24 -6.588 -3.120 -7.360 158 H SER 25 H SER 25 -2.954 -5.658 -6.979 159 HA SER 25 HA SER 25 -1.117 -6.384 -4.817 160 HB2 SER 25 1HB SER 25 -1.006 -6.526 -7.798 161 HB3 SER 25 2HB SER 25 0.511 -6.375 -6.912 162 HG SER 25 HG SER 25 -0.185 -8.571 -7.291 163 H LEU 26 H LEU 26 1.034 -5.252 -4.831 164 HA LEU 26 HA LEU 26 0.904 -2.468 -5.707 165 HB2 LEU 26 1HB LEU 26 1.595 -3.216 -2.873 166 HB3 LEU 26 2HB LEU 26 1.487 -1.593 -3.550 167 HG LEU 26 HG LEU 26 -0.886 -3.435 -3.338 168 HD11 LEU 26 1HD1 LEU 26 -0.203 -3.169 -1.100 169 HD12 LEU 26 2HD1 LEU 26 -1.474 -1.973 -1.355 170 HD13 LEU 26 3HD1 LEU 26 0.218 -1.474 -1.346 171 HD21 LEU 26 1HD2 LEU 26 -1.308 -0.569 -3.208 172 HD22 LEU 26 2HD2 LEU 26 -2.051 -1.775 -4.259 173 HD23 LEU 26 3HD2 LEU 26 -0.501 -1.057 -4.699 174 H ALA 27 H ALA 27 2.892 -1.525 -6.080 175 HA ALA 27 HA ALA 27 5.344 -2.773 -5.260 176 HB1 ALA 27 1HB ALA 27 5.780 -2.753 -7.998 177 HB2 ALA 27 2HB ALA 27 5.564 -4.174 -6.976 178 HB3 ALA 27 3HB ALA 27 4.181 -3.475 -7.817 179 H TRP 28 H TRP 28 6.794 -1.212 -4.983 180 HA TRP 28 HA TRP 28 6.430 1.305 -6.469 181 HB2 TRP 28 1HB TRP 28 7.943 2.111 -4.423 182 HB3 TRP 28 2HB TRP 28 6.188 2.025 -4.313 183 HD1 TRP 28 HD TRP 28 9.127 1.060 -2.425 184 HE1 TRP 28 1HE TRP 28 8.593 -0.789 -0.717 185 HE3 TRP 28 3HE TRP 28 4.581 -0.426 -4.232 186 HZ2 TRP 28 2HZ TRP 28 6.520 -2.635 -0.204 187 HZ3 TRP 28 3HZ TRP 28 3.388 -2.240 -3.075 188 HH2 TRP 28 HH TRP 28 4.339 -3.321 -1.103 189 H ALA 29 H ALA 29 8.524 2.589 -6.662 190 HA ALA 29 HA ALA 29 10.537 0.815 -7.802 191 HB1 ALA 29 1HB ALA 29 10.297 3.818 -7.947 192 HB2 ALA 29 2HB ALA 29 11.441 2.821 -8.847 193 HB3 ALA 29 3HB ALA 29 9.711 2.676 -9.157 194 H VAL 30 H VAL 30 12.157 0.164 -6.555 195 HA VAL 30 HA VAL 30 12.867 0.814 -4.065 196 HB VAL 30 HB VAL 30 14.891 0.356 -6.262 197 HG11 VAL 30 1HG1 VAL 30 15.048 0.108 -3.267 198 HG12 VAL 30 2HG1 VAL 30 16.206 -0.654 -4.358 199 HG13 VAL 30 3HG1 VAL 30 16.042 1.102 -4.330 200 HG21 VAL 30 1HG2 VAL 30 12.826 -1.303 -5.515 201 HG22 VAL 30 2HG2 VAL 30 14.313 -1.803 -6.321 202 HG23 VAL 30 3HG2 VAL 30 14.185 -1.903 -4.565 203 HA PRO 31 HA PRO 31 13.750 5.228 -4.663 204 HB2 PRO 31 1HB PRO 31 13.375 5.866 -2.051 205 HB3 PRO 31 2HB PRO 31 12.041 5.688 -3.197 206 HG2 PRO 31 1HG PRO 31 13.075 3.737 -1.176 207 HG3 PRO 31 2HG PRO 31 11.397 4.143 -1.583 208 HD2 PRO 31 1HD PRO 31 12.626 1.920 -2.520 209 HD3 PRO 31 2HD PRO 31 11.391 2.792 -3.450 210 H ARG 32 H ARG 32 15.168 6.711 -3.154 211 HA ARG 32 HA ARG 32 17.646 5.219 -2.641 212 HB2 ARG 32 1HB ARG 32 18.840 7.252 -3.043 213 HB3 ARG 32 2HB ARG 32 17.665 7.067 -4.338 214 HG2 ARG 32 1HG ARG 32 16.276 8.749 -3.462 215 HG3 ARG 32 2HG ARG 32 17.120 8.746 -1.912 216 HD2 ARG 32 1HD ARG 32 18.979 9.849 -2.785 217 HD3 ARG 32 2HD ARG 32 18.559 9.434 -4.447 218 HE ARG 32 HE ARG 32 16.580 11.091 -3.249 219 HH11 ARG 32 2HH1 ARG 32 19.740 11.136 -4.711 220 HH12 ARG 32 1HH1 ARG 32 19.614 12.780 -5.243 221 HH21 ARG 32 2HH2 ARG 32 16.402 13.256 -3.945 222 HH22 ARG 32 1HH2 ARG 32 17.715 13.985 -4.806 223 H ALA 33 H ALA 33 18.681 5.314 -0.701 224 HA ALA 33 HA ALA 33 17.289 6.763 1.456 225 HB1 ALA 33 1HB ALA 33 19.042 4.563 2.264 226 HB2 ALA 33 2HB ALA 33 17.402 4.959 2.779 227 HB3 ALA 33 3HB ALA 33 17.664 4.069 1.279 228 HA PRO 34 HA PRO 34 20.927 9.011 2.436 229 HB2 PRO 34 1HB PRO 34 20.880 9.046 5.150 230 HB3 PRO 34 2HB PRO 34 19.752 9.978 4.157 231 HG2 PRO 34 1HG PRO 34 19.343 7.348 5.528 232 HG3 PRO 34 2HG PRO 34 18.248 8.739 5.426 233 HD2 PRO 34 1HD PRO 34 17.973 6.551 3.855 234 HD3 PRO 34 2HD PRO 34 17.533 8.181 3.307 235 H SER 35 H SER 35 20.593 6.203 4.615 236 HA SER 35 HA SER 35 23.321 5.402 3.957 237 HB2 SER 35 1HB SER 35 22.359 5.985 6.763 238 HB3 SER 35 2HB SER 35 23.805 5.039 6.411 239 HG SER 35 HG SER 35 23.306 7.748 5.738 240 H GLY 36 H GLY 36 23.443 3.273 3.647 241 HA2 GLY 36 1HA GLY 36 23.034 1.008 3.981 242 HA3 GLY 36 2HA GLY 36 21.831 1.431 5.190 243 H ALA 37 H ALA 37 20.817 -0.455 3.952 244 HA ALA 37 HA ALA 37 19.454 0.471 1.522 245 HB1 ALA 37 1HB ALA 37 19.097 -1.763 0.940 246 HB2 ALA 37 2HB ALA 37 20.719 -1.754 1.633 247 HB3 ALA 37 3HB ALA 37 19.354 -2.330 2.591 248 H VAL 38 H VAL 38 17.177 0.184 1.293 249 HA VAL 38 HA VAL 38 15.685 0.981 3.552 250 HB VAL 38 HB VAL 38 14.651 -0.155 0.950 251 HG11 VAL 38 1HG1 VAL 38 13.281 1.596 2.989 252 HG12 VAL 38 2HG1 VAL 38 12.584 0.993 1.484 253 HG13 VAL 38 3HG1 VAL 38 13.000 -0.132 2.777 254 HG21 VAL 38 1HG2 VAL 38 15.770 2.468 1.690 255 HG22 VAL 38 2HG2 VAL 38 15.679 1.674 0.118 256 HG23 VAL 38 3HG2 VAL 38 14.268 2.509 0.767 257 H LEU 39 H LEU 39 14.756 -0.165 5.116 258 HA LEU 39 HA LEU 39 14.920 -3.052 5.061 259 HB2 LEU 39 1HB LEU 39 14.075 -1.044 7.126 260 HB3 LEU 39 2HB LEU 39 13.852 -2.775 7.370 261 HG LEU 39 HG LEU 39 16.537 -1.523 6.829 262 HD11 LEU 39 1HD1 LEU 39 15.209 -2.123 9.466 263 HD12 LEU 39 2HD1 LEU 39 15.708 -0.544 8.862 264 HD13 LEU 39 3HD1 LEU 39 16.923 -1.758 9.263 265 HD21 LEU 39 1HD2 LEU 39 15.760 -4.126 6.681 266 HD22 LEU 39 2HD2 LEU 39 16.294 -4.012 8.358 267 HD23 LEU 39 3HD2 LEU 39 17.397 -3.583 7.050 268 H ASP 40 H ASP 40 12.844 -4.067 6.292 269 HA ASP 40 HA ASP 40 10.896 -4.547 4.515 270 HB2 ASP 40 1HB ASP 40 9.973 -4.127 7.326 271 HB3 ASP 40 2HB ASP 40 9.631 -5.455 6.221 272 H TYR 41 H TYR 41 8.796 -3.773 4.047 273 HA TYR 41 HA TYR 41 8.450 -0.901 4.606 274 HB2 TYR 41 1HB TYR 41 7.362 -2.430 2.237 275 HB3 TYR 41 2HB TYR 41 7.337 -0.686 2.478 276 HD1 TYR 41 1HD TYR 41 9.877 -3.437 2.452 277 HD2 TYR 41 2HD TYR 41 8.864 0.517 1.251 278 HE1 TYR 41 1HE TYR 41 12.029 -3.249 1.276 279 HE2 TYR 41 2HE TYR 41 11.013 0.715 0.070 280 HH TYR 41 HH TYR 41 12.850 -0.357 -0.603 281 H GLU 42 H GLU 42 6.114 -0.182 4.456 282 HA GLU 42 HA GLU 42 4.301 -2.226 5.547 283 HB2 GLU 42 1HB GLU 42 5.361 -0.541 7.236 284 HB3 GLU 42 2HB GLU 42 4.215 0.599 6.546 285 HG2 GLU 42 1HG GLU 42 3.328 -2.060 7.598 286 HG3 GLU 42 2HG GLU 42 3.540 -0.669 8.659 287 H VAL 43 H VAL 43 2.163 -2.069 4.954 288 HA VAL 43 HA VAL 43 1.478 0.087 3.065 289 HB VAL 43 HB VAL 43 0.699 -2.824 2.836 290 HG11 VAL 43 1HG1 VAL 43 0.095 -0.623 0.878 291 HG12 VAL 43 2HG1 VAL 43 -0.546 -2.266 0.910 292 HG13 VAL 43 3HG1 VAL 43 -1.031 -1.105 2.146 293 HG21 VAL 43 1HG2 VAL 43 3.041 -1.581 2.046 294 HG22 VAL 43 2HG2 VAL 43 2.414 -3.114 1.439 295 HG23 VAL 43 3HG2 VAL 43 2.063 -1.615 0.578 296 H LYS 44 H LYS 44 -0.044 1.307 3.955 297 HA LYS 44 HA LYS 44 -2.078 0.025 5.653 298 HB2 LYS 44 1HB LYS 44 -0.556 1.884 6.575 299 HB3 LYS 44 2HB LYS 44 -1.499 2.978 5.571 300 HG2 LYS 44 1HG LYS 44 -3.544 2.209 6.742 301 HG3 LYS 44 2HG LYS 44 -2.522 1.248 7.812 302 HD2 LYS 44 1HD LYS 44 -2.807 3.182 9.042 303 HD3 LYS 44 2HD LYS 44 -1.285 3.507 8.209 304 HE2 LYS 44 1HE LYS 44 -2.384 5.464 7.785 305 HE3 LYS 44 2HE LYS 44 -2.905 4.522 6.388 306 HZ1 LYS 44 1HZ LYS 44 -5.008 4.361 7.164 307 HZ2 LYS 44 2HZ LYS 44 -4.598 5.804 7.946 308 HZ3 LYS 44 3HZ LYS 44 -4.546 4.339 8.792 309 H TYR 45 H TYR 45 -3.824 -0.431 4.469 310 HA TYR 45 HA TYR 45 -4.830 1.645 2.635 311 HB2 TYR 45 1HB TYR 45 -5.905 -0.213 1.369 312 HB3 TYR 45 2HB TYR 45 -4.147 -0.292 1.365 313 HD1 TYR 45 2HD TYR 45 -3.123 -1.774 3.315 314 HD2 TYR 45 1HD TYR 45 -7.082 -2.151 1.803 315 HE1 TYR 45 2HE TYR 45 -3.220 -4.081 4.162 316 HE2 TYR 45 1HE TYR 45 -7.191 -4.459 2.647 317 HH TYR 45 HH TYR 45 -6.118 -6.087 3.700 318 H HIS 46 H HIS 46 -6.885 2.330 2.875 319 HA HIS 46 HA HIS 46 -8.655 0.855 4.694 320 HB2 HIS 46 1HB HIS 46 -9.168 2.723 6.001 321 HB3 HIS 46 2HB HIS 46 -7.427 2.863 5.776 322 HD1 HIS 46 1HD HIS 46 -10.625 4.574 5.070 323 HD2 HIS 46 2HD HIS 46 -6.631 4.939 3.985 324 HE1 HIS 46 1HE HIS 46 -10.415 6.855 4.033 325 HE2 HIS 46 2HE HIS 46 -8.009 7.020 3.307 326 H GLU 47 H GLU 47 -10.907 1.269 4.394 327 HA GLU 47 HA GLU 47 -11.573 1.782 1.639 328 HB2 GLU 47 1HB GLU 47 -12.603 0.029 3.276 329 HB3 GLU 47 2HB GLU 47 -13.609 1.371 3.801 330 HG2 GLU 47 1HG GLU 47 -14.358 1.673 1.466 331 HG3 GLU 47 2HG GLU 47 -13.423 0.248 1.016 332 H LYS 48 H LYS 48 -12.223 3.647 0.803 333 HA LYS 48 HA LYS 48 -12.119 6.092 1.912 334 HB2 LYS 48 1HB LYS 48 -12.771 5.340 -0.504 335 HB3 LYS 48 2HB LYS 48 -14.421 5.521 0.077 336 HG2 LYS 48 1HG LYS 48 -13.927 7.562 -0.933 337 HG3 LYS 48 2HG LYS 48 -13.729 7.869 0.794 338 HD2 LYS 48 1HD LYS 48 -11.400 7.900 0.642 339 HD3 LYS 48 2HD LYS 48 -11.397 7.055 -0.907 340 HE2 LYS 48 1HE LYS 48 -10.923 9.218 -1.550 341 HE3 LYS 48 2HE LYS 48 -12.673 9.161 -1.749 342 HZ1 LYS 48 1HZ LYS 48 -11.659 10.013 0.850 343 HZ2 LYS 48 2HZ LYS 48 -13.009 10.552 -0.013 344 HZ3 LYS 48 3HZ LYS 48 -11.464 11.094 -0.437 345 H GLY 49 H GLY 49 -15.319 4.577 1.466 346 HA2 GLY 49 1HA GLY 49 -16.460 6.244 3.517 347 HA3 GLY 49 2HA GLY 49 -17.292 4.996 2.602 348 H ALA 50 H ALA 50 -15.384 5.695 5.437 349 HA ALA 50 HA ALA 50 -16.597 3.649 6.952 350 HB1 ALA 50 1HB ALA 50 -15.339 1.996 5.945 351 HB2 ALA 50 2HB ALA 50 -13.926 3.035 5.760 352 HB3 ALA 50 3HB ALA 50 -14.352 2.400 7.350 353 H GLU 51 H GLU 51 -16.131 3.819 9.143 354 HA GLU 51 HA GLU 51 -14.151 5.859 9.901 355 HB2 GLU 51 1HB GLU 51 -16.942 5.579 11.029 356 HB3 GLU 51 2HB GLU 51 -15.717 6.699 11.608 357 HG2 GLU 51 1HG GLU 51 -17.096 6.715 8.939 358 HG3 GLU 51 2HG GLU 51 -17.230 7.907 10.230 359 H GLY 52 H GLY 52 -12.689 5.030 11.231 360 HA2 GLY 52 1HA GLY 52 -12.681 4.050 13.619 361 HA3 GLY 52 2HA GLY 52 -13.417 2.666 12.825 362 HA PRO 53 HA PRO 53 -8.624 2.744 12.585 363 HB2 PRO 53 1HB PRO 53 -8.013 1.227 14.752 364 HB3 PRO 53 2HB PRO 53 -8.113 2.991 14.811 365 HG2 PRO 53 1HG PRO 53 -10.141 0.949 15.638 366 HG3 PRO 53 2HG PRO 53 -9.654 2.441 16.464 367 HD2 PRO 53 1HD PRO 53 -11.914 2.267 14.982 368 HD3 PRO 53 2HD PRO 53 -10.973 3.767 15.116 369 H SER 54 H SER 54 -11.045 0.340 13.371 370 HA SER 54 HA SER 54 -9.568 -1.962 12.673 371 HB2 SER 54 1HB SER 54 -12.550 -1.451 12.687 372 HB3 SER 54 2HB SER 54 -11.822 -3.039 12.445 373 HG SER 54 HG SER 54 -12.145 -1.585 14.748 374 H SER 55 H SER 55 -11.722 0.143 10.811 375 HA SER 55 HA SER 55 -11.915 -1.263 8.455 376 HB2 SER 55 1HB SER 55 -12.271 0.892 7.342 377 HB3 SER 55 2HB SER 55 -13.102 0.856 8.897 378 HG SER 55 HG SER 55 -10.634 2.118 8.292 379 H VAL 56 H VAL 56 -9.299 0.889 9.495 380 HA VAL 56 HA VAL 56 -7.793 0.647 7.092 381 HB VAL 56 HB VAL 56 -6.860 1.453 9.851 382 HG11 VAL 56 1HG1 VAL 56 -5.303 0.793 7.697 383 HG12 VAL 56 2HG1 VAL 56 -5.469 2.541 7.527 384 HG13 VAL 56 3HG1 VAL 56 -4.823 1.857 9.019 385 HG21 VAL 56 1HG2 VAL 56 -7.015 3.668 8.134 386 HG22 VAL 56 2HG2 VAL 56 -8.526 2.781 7.928 387 HG23 VAL 56 3HG2 VAL 56 -8.030 3.316 9.533 388 H ARG 57 H ARG 57 -6.612 -1.009 6.418 389 HA ARG 57 HA ARG 57 -5.858 -3.084 8.356 390 HB2 ARG 57 1HB ARG 57 -6.395 -3.120 5.404 391 HB3 ARG 57 2HB ARG 57 -5.424 -4.387 6.143 392 HG2 ARG 57 1HG ARG 57 -7.363 -4.730 7.746 393 HG3 ARG 57 2HG ARG 57 -8.301 -3.710 6.654 394 HD2 ARG 57 1HD ARG 57 -7.942 -5.239 4.834 395 HD3 ARG 57 2HD ARG 57 -6.834 -6.204 5.809 396 HE ARG 57 HE ARG 57 -9.396 -6.027 7.026 397 HH11 ARG 57 2HH1 ARG 57 -7.640 -7.614 4.473 398 HH12 ARG 57 1HH1 ARG 57 -8.653 -9.019 4.473 399 HH21 ARG 57 2HH2 ARG 57 -10.737 -7.872 7.035 400 HH22 ARG 57 1HH2 ARG 57 -10.415 -9.165 5.929 401 H PHE 58 H PHE 58 -3.760 -4.009 8.288 402 HA PHE 58 HA PHE 58 -1.729 -2.309 6.997 403 HB2 PHE 58 1HB PHE 58 -1.697 -3.539 9.755 404 HB3 PHE 58 2HB PHE 58 -0.257 -2.895 8.974 405 HD1 PHE 58 2HD PHE 58 -3.604 -2.008 10.258 406 HD2 PHE 58 1HD PHE 58 0.188 -0.585 8.947 407 HE1 PHE 58 2HE PHE 58 -4.162 0.238 11.092 408 HE2 PHE 58 1HE PHE 58 -0.364 1.663 9.781 409 HZ PHE 58 HZ PHE 58 -2.542 2.078 10.853 410 H LEU 59 H LEU 59 -0.053 -3.317 5.985 411 HA LEU 59 HA LEU 59 0.043 -6.254 6.119 412 HB2 LEU 59 1HB LEU 59 -1.041 -5.864 4.082 413 HB3 LEU 59 2HB LEU 59 -0.024 -4.475 3.706 414 HG LEU 59 HG LEU 59 1.855 -6.363 3.672 415 HD11 LEU 59 1HD1 LEU 59 0.978 -8.402 2.640 416 HD12 LEU 59 2HD1 LEU 59 -0.666 -7.814 2.881 417 HD13 LEU 59 3HD1 LEU 59 0.353 -8.177 4.274 418 HD21 LEU 59 1HD2 LEU 59 0.492 -6.536 1.162 419 HD22 LEU 59 2HD2 LEU 59 1.962 -5.653 1.573 420 HD23 LEU 59 3HD2 LEU 59 0.386 -4.889 1.782 421 H LYS 60 H LYS 60 1.971 -6.935 6.747 422 HA LYS 60 HA LYS 60 4.273 -5.152 6.521 423 HB2 LYS 60 1HB LYS 60 3.756 -7.674 8.087 424 HB3 LYS 60 2HB LYS 60 5.361 -6.966 7.961 425 HG2 LYS 60 1HG LYS 60 4.835 -5.187 9.284 426 HG3 LYS 60 2HG LYS 60 3.130 -5.211 8.829 427 HD2 LYS 60 1HD LYS 60 3.054 -7.453 10.107 428 HD3 LYS 60 2HD LYS 60 4.578 -6.922 10.822 429 HE2 LYS 60 1HE LYS 60 3.492 -4.880 11.617 430 HE3 LYS 60 2HE LYS 60 1.972 -5.402 10.893 431 HZ1 LYS 60 1HZ LYS 60 3.426 -6.830 13.054 432 HZ2 LYS 60 2HZ LYS 60 1.954 -7.306 12.371 433 HZ3 LYS 60 3HZ LYS 60 2.047 -5.873 13.265 434 H THR 61 H THR 61 5.695 -5.365 4.935 435 HA THR 61 HA THR 61 6.160 -8.027 3.781 436 HB THR 61 HB THR 61 4.671 -6.884 2.230 437 HG1 THR 61 1HG THR 61 7.386 -7.076 1.395 438 HG21 THR 61 1HG2 THR 61 5.680 -4.566 3.047 439 HG22 THR 61 2HG2 THR 61 4.935 -4.747 1.459 440 HG23 THR 61 3HG2 THR 61 6.690 -4.789 1.619 441 H SER 62 H SER 62 8.228 -8.332 2.842 442 HA SER 62 HA SER 62 10.227 -6.369 3.756 443 HB2 SER 62 1HB SER 62 11.804 -8.227 3.942 444 HB3 SER 62 2HB SER 62 10.355 -8.568 4.887 445 HG SER 62 HG SER 62 11.393 -10.128 3.129 446 H GLU 63 H GLU 63 8.988 -5.941 1.322 447 HA GLU 63 HA GLU 63 11.250 -5.908 -0.433 448 HB2 GLU 63 1HB GLU 63 10.475 -7.284 -2.178 449 HB3 GLU 63 2HB GLU 63 10.226 -8.229 -0.717 450 HG2 GLU 63 1HG GLU 63 7.839 -7.074 -0.844 451 HG3 GLU 63 2HG GLU 63 8.251 -7.017 -2.557 452 H ASN 64 H ASN 64 10.651 -4.885 -2.579 453 HA ASN 64 HA ASN 64 8.942 -2.616 -2.031 454 HB2 ASN 64 1HB ASN 64 9.876 -1.630 -3.996 455 HB3 ASN 64 2HB ASN 64 11.196 -2.445 -3.162 456 HD21 ASN 64 1HD2 ASN 64 10.180 -1.792 -6.089 457 HD22 ASN 64 2HD2 ASN 64 10.646 -3.219 -6.943 458 H ARG 65 H ARG 65 7.685 -5.226 -2.336 459 HA ARG 65 HA ARG 65 5.571 -4.459 -4.096 460 HB2 ARG 65 1HB ARG 65 5.740 -6.513 -5.542 461 HB3 ARG 65 2HB ARG 65 6.967 -5.289 -5.839 462 HG2 ARG 65 1HG ARG 65 8.558 -6.586 -4.483 463 HG3 ARG 65 2HG ARG 65 7.325 -7.830 -4.264 464 HD2 ARG 65 1HD ARG 65 7.221 -8.019 -6.767 465 HD3 ARG 65 2HD ARG 65 8.632 -6.964 -6.835 466 HE ARG 65 HE ARG 65 9.431 -8.937 -5.176 467 HH11 ARG 65 2HH1 ARG 65 7.987 -8.932 -8.343 468 HH12 ARG 65 1HH1 ARG 65 8.756 -10.403 -8.839 469 HH21 ARG 65 2HH2 ARG 65 10.450 -10.875 -5.817 470 HH22 ARG 65 1HH2 ARG 65 10.156 -11.508 -7.401 471 H ALA 66 H ALA 66 3.732 -5.227 -3.280 472 HA ALA 66 HA ALA 66 3.775 -7.756 -1.789 473 HB1 ALA 66 1HB ALA 66 3.753 -6.471 0.076 474 HB2 ALA 66 2HB ALA 66 3.064 -5.077 -0.757 475 HB3 ALA 66 3HB ALA 66 2.025 -6.419 -0.276 476 H GLU 67 H GLU 67 1.403 -8.368 -1.207 477 HA GLU 67 HA GLU 67 -0.380 -7.660 -3.436 478 HB2 GLU 67 1HB GLU 67 0.772 -9.869 -3.805 479 HB3 GLU 67 2HB GLU 67 -0.047 -10.465 -2.368 480 HG2 GLU 67 1HG GLU 67 -2.210 -10.031 -3.428 481 HG3 GLU 67 2HG GLU 67 -1.378 -9.463 -4.874 482 H LEU 68 H LEU 68 -2.495 -7.401 -2.921 483 HA LEU 68 HA LEU 68 -3.232 -7.844 -0.103 484 HB2 LEU 68 1HB LEU 68 -4.659 -5.908 -1.874 485 HB3 LEU 68 2HB LEU 68 -4.518 -5.920 -0.117 486 HG LEU 68 HG LEU 68 -2.175 -5.328 -1.907 487 HD11 LEU 68 1HD1 LEU 68 -4.475 -3.776 -1.766 488 HD12 LEU 68 2HD1 LEU 68 -2.884 -3.266 -2.328 489 HD13 LEU 68 3HD1 LEU 68 -3.348 -3.010 -0.646 490 HD21 LEU 68 1HD2 LEU 68 -2.671 -5.471 0.955 491 HD22 LEU 68 2HD2 LEU 68 -1.962 -3.933 0.462 492 HD23 LEU 68 3HD2 LEU 68 -1.146 -5.447 0.069 493 H ARG 69 H ARG 69 -5.093 -8.911 0.378 494 HA ARG 69 HA ARG 69 -6.751 -9.816 -1.882 495 HB2 ARG 69 1HB ARG 69 -5.777 -11.433 0.477 496 HB3 ARG 69 2HB ARG 69 -7.046 -11.969 -0.616 497 HG2 ARG 69 1HG ARG 69 -5.598 -12.383 -2.323 498 HG3 ARG 69 2HG ARG 69 -4.456 -11.143 -1.802 499 HD2 ARG 69 1HD ARG 69 -4.919 -13.788 -0.429 500 HD3 ARG 69 2HD ARG 69 -3.568 -13.415 -1.499 501 HE ARG 69 HE ARG 69 -3.347 -11.502 0.365 502 HH11 ARG 69 2HH1 ARG 69 -3.782 -14.947 0.612 503 HH12 ARG 69 1HH1 ARG 69 -2.933 -15.078 2.116 504 HH21 ARG 69 2HH2 ARG 69 -2.227 -11.661 2.345 505 HH22 ARG 69 1HH2 ARG 69 -2.049 -13.208 3.101 506 H GLY 70 H GLY 70 -8.939 -10.541 -1.219 507 HA2 GLY 70 1HA GLY 70 -10.941 -10.200 -0.145 508 HA3 GLY 70 2HA GLY 70 -10.014 -9.907 1.319 509 H LEU 71 H LEU 71 -11.068 -8.362 -1.695 510 HA LEU 71 HA LEU 71 -11.370 -5.855 -0.197 511 HB2 LEU 71 1HB LEU 71 -10.155 -6.131 -2.941 512 HB3 LEU 71 2HB LEU 71 -10.557 -4.603 -2.160 513 HG LEU 71 HG LEU 71 -8.563 -6.558 -1.031 514 HD11 LEU 71 1HD1 LEU 71 -6.837 -5.055 -1.944 515 HD12 LEU 71 2HD1 LEU 71 -8.091 -4.179 -2.821 516 HD13 LEU 71 3HD1 LEU 71 -7.765 -5.869 -3.204 517 HD21 LEU 71 1HD2 LEU 71 -7.795 -4.497 0.157 518 HD22 LEU 71 2HD2 LEU 71 -9.402 -5.056 0.622 519 HD23 LEU 71 3HD2 LEU 71 -9.228 -3.676 -0.462 520 H LYS 72 H LYS 72 -12.663 -4.228 -1.578 521 HA LYS 72 HA LYS 72 -14.917 -5.686 -2.788 522 HB2 LYS 72 1HB LYS 72 -14.735 -3.270 -1.061 523 HB3 LYS 72 2HB LYS 72 -16.001 -3.294 -2.282 524 HG2 LYS 72 1HG LYS 72 -15.705 -5.680 -0.544 525 HG3 LYS 72 2HG LYS 72 -16.393 -4.215 0.159 526 HD2 LYS 72 1HD LYS 72 -18.161 -5.635 -0.699 527 HD3 LYS 72 2HD LYS 72 -18.060 -4.154 -1.654 528 HE2 LYS 72 1HE LYS 72 -18.360 -6.106 -3.086 529 HE3 LYS 72 2HE LYS 72 -16.797 -5.343 -3.373 530 HZ1 LYS 72 1HZ LYS 72 -15.881 -7.313 -3.016 531 HZ2 LYS 72 2HZ LYS 72 -17.359 -7.993 -2.555 532 HZ3 LYS 72 3HZ LYS 72 -16.382 -7.234 -1.402 533 H ARG 73 H ARG 73 -14.566 -5.699 -4.935 534 HA ARG 73 HA ARG 73 -13.210 -3.773 -6.424 535 HB2 ARG 73 1HB ARG 73 -14.013 -6.176 -7.053 536 HB3 ARG 73 2HB ARG 73 -15.463 -5.353 -7.614 537 HG2 ARG 73 1HG ARG 73 -14.210 -4.078 -9.198 538 HG3 ARG 73 2HG ARG 73 -12.684 -4.669 -8.539 539 HD2 ARG 73 1HD ARG 73 -12.909 -6.048 -10.353 540 HD3 ARG 73 2HD ARG 73 -13.717 -7.014 -9.119 541 HE ARG 73 HE ARG 73 -15.549 -5.308 -10.466 542 HH11 ARG 73 2HH1 ARG 73 -13.761 -8.278 -10.793 543 HH12 ARG 73 1HH1 ARG 73 -14.892 -8.990 -11.895 544 HH21 ARG 73 2HH2 ARG 73 -17.045 -6.235 -11.917 545 HH22 ARG 73 1HH2 ARG 73 -16.759 -7.827 -12.535 546 H GLY 74 H GLY 74 -13.704 -1.728 -6.836 547 HA2 GLY 74 1HA GLY 74 -15.300 -0.254 -8.001 548 HA3 GLY 74 2HA GLY 74 -16.562 -0.999 -7.032 549 H ALA 75 H ALA 75 -15.728 -0.931 -4.525 550 HA ALA 75 HA ALA 75 -16.075 1.738 -3.743 551 HB1 ALA 75 1HB ALA 75 -16.749 0.184 -2.162 552 HB2 ALA 75 2HB ALA 75 -15.257 -0.748 -2.292 553 HB3 ALA 75 3HB ALA 75 -15.253 0.813 -1.471 554 H SER 76 H SER 76 -14.644 3.280 -4.252 555 HA SER 76 HA SER 76 -12.055 3.219 -4.903 556 HB2 SER 76 1HB SER 76 -13.394 5.243 -3.098 557 HB3 SER 76 2HB SER 76 -11.796 5.477 -3.808 558 HG SER 76 HG SER 76 -13.112 4.894 -5.855 559 H TYR 77 H TYR 77 -10.081 2.936 -3.996 560 HA TYR 77 HA TYR 77 -9.974 2.436 -1.096 561 HB2 TYR 77 1HB TYR 77 -9.054 0.726 -3.353 562 HB3 TYR 77 2HB TYR 77 -8.048 0.777 -1.910 563 HD1 TYR 77 1HD TYR 77 -9.180 0.248 0.334 564 HD2 TYR 77 2HD TYR 77 -10.932 -0.663 -3.435 565 HE1 TYR 77 1HE TYR 77 -10.648 -1.399 1.421 566 HE2 TYR 77 2HE TYR 77 -12.405 -2.311 -2.358 567 HH TYR 77 HH TYR 77 -13.293 -2.477 0.376 568 H LEU 78 H LEU 78 -8.533 3.652 -0.076 569 HA LEU 78 HA LEU 78 -6.454 4.993 -1.662 570 HB2 LEU 78 1HB LEU 78 -7.597 5.681 1.042 571 HB3 LEU 78 2HB LEU 78 -6.328 6.583 0.217 572 HG LEU 78 HG LEU 78 -9.107 6.232 -0.893 573 HD11 LEU 78 1HD1 LEU 78 -7.984 8.544 0.682 574 HD12 LEU 78 2HD1 LEU 78 -9.219 7.415 1.239 575 HD13 LEU 78 3HD1 LEU 78 -9.558 8.495 -0.113 576 HD21 LEU 78 1HD2 LEU 78 -7.970 8.561 -1.848 577 HD22 LEU 78 2HD2 LEU 78 -8.118 7.035 -2.721 578 HD23 LEU 78 3HD2 LEU 78 -6.632 7.412 -1.848 579 H VAL 79 H VAL 79 -4.714 3.673 -1.654 580 HA VAL 79 HA VAL 79 -3.815 2.552 0.908 581 HB VAL 79 HB VAL 79 -2.899 1.879 -1.892 582 HG11 VAL 79 1HG1 VAL 79 -2.277 0.545 0.742 583 HG12 VAL 79 2HG1 VAL 79 -1.744 0.001 -0.851 584 HG13 VAL 79 3HG1 VAL 79 -1.163 1.534 -0.200 585 HG21 VAL 79 1HG2 VAL 79 -4.904 0.843 -1.930 586 HG22 VAL 79 2HG2 VAL 79 -4.061 -0.369 -0.965 587 HG23 VAL 79 3HG2 VAL 79 -5.062 0.849 -0.173 588 H GLN 80 H GLN 80 -1.701 2.851 1.642 589 HA GLN 80 HA GLN 80 -0.041 4.796 0.218 590 HB2 GLN 80 1HB GLN 80 -0.865 5.035 3.115 591 HB3 GLN 80 2HB GLN 80 0.383 6.009 2.349 592 HG2 GLN 80 1HG GLN 80 -1.126 7.217 1.109 593 HG3 GLN 80 2HG GLN 80 -2.352 5.951 1.170 594 HE21 GLN 80 1HE2 GLN 80 -1.774 8.950 2.143 595 HE22 GLN 80 2HE2 GLN 80 -2.649 8.987 3.633 596 H VAL 81 H VAL 81 1.944 4.019 0.027 597 HA VAL 81 HA VAL 81 2.847 1.953 1.905 598 HB VAL 81 HB VAL 81 3.986 2.709 -0.790 599 HG11 VAL 81 1HG1 VAL 81 4.933 0.995 1.372 600 HG12 VAL 81 2HG1 VAL 81 4.843 0.174 -0.188 601 HG13 VAL 81 3HG1 VAL 81 5.797 1.648 -0.019 602 HG21 VAL 81 1HG2 VAL 81 2.880 0.058 -0.600 603 HG22 VAL 81 2HG2 VAL 81 1.664 1.269 -0.192 604 HG23 VAL 81 3HG2 VAL 81 2.504 1.350 -1.741 605 H ARG 82 H ARG 82 4.789 2.100 2.994 606 HA ARG 82 HA ARG 82 6.308 4.596 2.734 607 HB2 ARG 82 1HB ARG 82 6.286 5.047 5.052 608 HB3 ARG 82 2HB ARG 82 4.615 4.698 4.631 609 HG2 ARG 82 1HG ARG 82 4.714 2.553 5.616 610 HG3 ARG 82 2HG ARG 82 6.471 2.627 5.766 611 HD2 ARG 82 1HD ARG 82 6.327 4.318 7.445 612 HD3 ARG 82 2HD ARG 82 4.596 4.517 7.175 613 HE ARG 82 HE ARG 82 5.071 1.862 7.910 614 HH11 ARG 82 2HH1 ARG 82 5.239 5.059 9.276 615 HH12 ARG 82 1HH1 ARG 82 4.929 4.525 10.895 616 HH21 ARG 82 2HH2 ARG 82 4.662 1.146 10.037 617 HH22 ARG 82 1HH2 ARG 82 4.602 2.299 11.327 618 H ALA 83 H ALA 83 8.478 4.480 3.501 619 HA ALA 83 HA ALA 83 9.495 1.718 3.662 620 HB1 ALA 83 1HB ALA 83 10.564 4.175 2.350 621 HB2 ALA 83 2HB ALA 83 11.684 2.932 2.909 622 HB3 ALA 83 3HB ALA 83 10.438 2.529 1.728 623 H ARG 84 H ARG 84 11.193 1.253 5.106 624 HA ARG 84 HA ARG 84 11.742 3.296 7.146 625 HB2 ARG 84 1HB ARG 84 10.069 1.928 8.155 626 HB3 ARG 84 2HB ARG 84 10.849 0.452 7.602 627 HG2 ARG 84 1HG ARG 84 12.823 1.188 9.071 628 HG3 ARG 84 2HG ARG 84 11.666 2.294 9.814 629 HD2 ARG 84 1HD ARG 84 11.554 0.405 11.168 630 HD3 ARG 84 2HD ARG 84 10.175 0.216 10.085 631 HE ARG 84 HE ARG 84 12.149 -1.133 8.819 632 HH11 ARG 84 2HH1 ARG 84 10.866 -1.241 12.053 633 HH12 ARG 84 1HH1 ARG 84 11.217 -2.922 12.276 634 HH21 ARG 84 2HH2 ARG 84 12.617 -3.347 9.100 635 HH22 ARG 84 1HH2 ARG 84 12.215 -4.119 10.597 636 H SER 85 H SER 85 13.773 3.229 8.070 637 HA SER 85 HA SER 85 15.634 1.223 6.978 638 HB2 SER 85 1HB SER 85 15.730 3.698 6.082 639 HB3 SER 85 2HB SER 85 16.576 3.997 7.600 640 HG SER 85 HG SER 85 18.270 3.172 6.697 641 H GLU 86 H GLU 86 17.872 1.641 8.296 642 HA GLU 86 HA GLU 86 17.455 0.558 10.827 643 HB2 GLU 86 1HB GLU 86 19.791 1.839 9.470 644 HB3 GLU 86 2HB GLU 86 19.897 1.482 11.188 645 HG2 GLU 86 1HG GLU 86 19.212 -0.886 10.586 646 HG3 GLU 86 2HG GLU 86 19.524 -0.434 8.911 647 H ALA 87 H ALA 87 17.103 3.762 9.787 648 HA ALA 87 HA ALA 87 17.660 4.992 12.345 649 HB1 ALA 87 1HB ALA 87 17.613 6.952 11.248 650 HB2 ALA 87 2HB ALA 87 17.710 5.939 9.807 651 HB3 ALA 87 3HB ALA 87 16.146 6.538 10.359 652 H GLY 88 H GLY 88 14.739 4.768 10.294 653 HA2 GLY 88 1HA GLY 88 13.004 3.827 12.242 654 HA3 GLY 88 2HA GLY 88 12.983 5.579 12.375 655 H TYR 89 H TYR 89 10.709 4.126 11.728 656 HA TYR 89 HA TYR 89 10.125 3.707 9.072 657 HB2 TYR 89 1HB TYR 89 8.515 4.484 11.451 658 HB3 TYR 89 2HB TYR 89 7.753 4.637 9.872 659 HD1 TYR 89 2HD TYR 89 7.605 2.591 8.397 660 HD2 TYR 89 1HD TYR 89 8.739 2.380 12.492 661 HE1 TYR 89 2HE TYR 89 7.081 0.188 8.412 662 HE2 TYR 89 1HE TYR 89 8.219 -0.024 12.518 663 HH TYR 89 HH TYR 89 8.068 -1.898 10.113 664 H GLY 90 H GLY 90 9.710 4.939 7.324 665 HA2 GLY 90 1HA GLY 90 10.226 7.799 7.562 666 HA3 GLY 90 2HA GLY 90 10.131 6.877 6.068 667 HA PRO 91 HA PRO 91 6.187 9.353 6.873 668 HB2 PRO 91 1HB PRO 91 6.437 11.064 4.779 669 HB3 PRO 91 2HB PRO 91 7.093 11.407 6.384 670 HG2 PRO 91 1HG PRO 91 8.489 10.360 3.952 671 HG3 PRO 91 2HG PRO 91 9.028 11.592 5.107 672 HD2 PRO 91 1HD PRO 91 9.910 9.033 5.188 673 HD3 PRO 91 2HD PRO 91 9.719 10.024 6.649 674 H PHE 92 H PHE 92 4.365 8.603 5.978 675 HA PHE 92 HA PHE 92 4.307 6.627 4.038 676 HB2 PHE 92 1HB PHE 92 2.260 8.422 5.250 677 HB3 PHE 92 2HB PHE 92 1.808 7.519 3.808 678 HD1 PHE 92 1HD PHE 92 2.131 4.991 3.846 679 HD2 PHE 92 2HD PHE 92 2.213 7.415 7.344 680 HE1 PHE 92 1HE PHE 92 1.682 3.005 5.228 681 HE2 PHE 92 2HE PHE 92 1.765 5.433 8.732 682 HZ PHE 92 HZ PHE 92 1.500 3.225 7.675 683 H GLY 93 H GLY 93 4.222 6.578 1.864 684 HA2 GLY 93 1HA GLY 93 5.020 8.790 0.343 685 HA3 GLY 93 2HA GLY 93 4.336 7.309 -0.308 686 H GLN 94 H GLN 94 3.523 9.026 -1.863 687 HA GLN 94 HA GLN 94 1.381 10.709 -0.970 688 HB2 GLN 94 1HB GLN 94 2.946 11.058 -2.993 689 HB3 GLN 94 2HB GLN 94 1.883 9.936 -3.832 690 HG2 GLN 94 1HG GLN 94 -0.005 11.403 -3.475 691 HG3 GLN 94 2HG GLN 94 1.002 12.506 -2.538 692 HE21 GLN 94 1HE2 GLN 94 -0.038 11.562 -5.640 693 HE22 GLN 94 2HE2 GLN 94 0.897 12.691 -6.554 694 H GLU 95 H GLU 95 -0.672 10.163 -0.673 695 HA GLU 95 HA GLU 95 -1.676 7.605 -0.800 696 HB2 GLU 95 1HB GLU 95 -3.925 8.635 -0.715 697 HB3 GLU 95 2HB GLU 95 -2.806 9.350 0.437 698 HG2 GLU 95 1HG GLU 95 -2.580 11.311 -0.832 699 HG3 GLU 95 2HG GLU 95 -3.312 10.570 -2.254 700 H HIS 96 H HIS 96 -2.446 6.300 -2.342 701 HA HIS 96 HA HIS 96 -2.660 7.388 -5.067 702 HB2 HIS 96 1HB HIS 96 -0.977 5.693 -4.968 703 HB3 HIS 96 2HB HIS 96 -2.033 4.608 -4.067 704 HD1 HIS 96 1HD HIS 96 -2.157 6.337 -7.465 705 HD2 HIS 96 2HD HIS 96 -3.059 2.701 -5.668 706 HE1 HIS 96 1HE HIS 96 -3.002 4.862 -9.318 707 HE2 HIS 96 2HE HIS 96 -3.622 2.696 -8.192 708 H HIS 97 H HIS 97 -4.341 6.555 -6.453 709 HA HIS 97 HA HIS 97 -6.746 5.778 -4.940 710 HB2 HIS 97 1HB HIS 97 -6.551 7.317 -7.539 711 HB3 HIS 97 2HB HIS 97 -8.049 6.871 -6.727 712 HD1 HIS 97 1HD HIS 97 -5.243 9.308 -6.608 713 HD2 HIS 97 2HD HIS 97 -8.642 8.372 -4.409 714 HE1 HIS 97 1HE HIS 97 -5.588 11.247 -5.044 715 HE2 HIS 97 2HE HIS 97 -7.600 10.620 -3.666 716 H SER 98 H SER 98 -6.842 3.608 -5.127 717 HA SER 98 HA SER 98 -6.156 2.258 -7.577 718 HB2 SER 98 1HB SER 98 -5.805 1.330 -5.232 719 HB3 SER 98 2HB SER 98 -7.546 1.048 -5.184 720 HG SER 98 HG SER 98 -5.773 -0.564 -6.146 721 H GLN 99 H GLN 99 -7.569 2.882 -9.170 722 HA GLN 99 HA GLN 99 -10.436 2.560 -8.698 723 HB2 GLN 99 1HB GLN 99 -10.673 3.636 -10.932 724 HB3 GLN 99 2HB GLN 99 -9.824 4.631 -9.756 725 HG2 GLN 99 1HG GLN 99 -8.262 2.899 -11.610 726 HG3 GLN 99 2HG GLN 99 -8.941 4.417 -12.195 727 HE21 GLN 99 1HE2 GLN 99 -8.431 6.350 -10.863 728 HE22 GLN 99 2HE2 GLN 99 -6.847 6.461 -10.184 729 H THR 100 H THR 100 -9.070 0.174 -8.683 730 HA THR 100 HA THR 100 -8.598 -1.271 -10.908 731 HB THR 100 HB THR 100 -8.433 -2.375 -8.808 732 HG1 THR 100 1HG THR 100 -9.394 -4.298 -9.343 733 HG21 THR 100 1HG2 THR 100 -11.430 -2.227 -8.505 734 HG22 THR 100 2HG2 THR 100 -10.320 -1.086 -7.747 735 HG23 THR 100 3HG2 THR 100 -10.252 -2.796 -7.324 736 H GLN 101 H GLN 101 -11.713 -0.093 -9.861 737 HA GLN 101 HA GLN 101 -12.899 -1.208 -12.315 738 HB2 GLN 101 1HB GLN 101 -13.630 -2.154 -9.973 739 HB3 GLN 101 2HB GLN 101 -14.583 -0.678 -9.900 740 HG2 GLN 101 1HG GLN 101 -15.565 -1.332 -12.119 741 HG3 GLN 101 2HG GLN 101 -14.772 -2.894 -11.918 742 HE21 GLN 101 1HE2 GLN 101 -17.510 -1.065 -11.266 743 HE22 GLN 101 2HE2 GLN 101 -18.266 -2.130 -10.135 744 H LEU 102 H LEU 102 -14.735 0.029 -13.158 745 HA LEU 102 HA LEU 102 -15.484 1.988 -14.060 746 HB2 LEU 102 1HB LEU 102 -15.449 2.659 -11.125 747 HB3 LEU 102 2HB LEU 102 -16.202 3.676 -12.351 748 HG LEU 102 HG LEU 102 -17.022 0.821 -11.848 749 HD11 LEU 102 1HD1 LEU 102 -17.718 3.310 -10.416 750 HD12 LEU 102 2HD1 LEU 102 -17.709 1.639 -9.855 751 HD13 LEU 102 3HD1 LEU 102 -19.051 2.233 -10.832 752 HD21 LEU 102 1HD2 LEU 102 -19.160 1.840 -12.897 753 HD22 LEU 102 2HD2 LEU 102 -17.807 1.412 -13.945 754 HD23 LEU 102 3HD2 LEU 102 -18.070 3.095 -13.486 755 H ASP 103 H ASP 103 -12.567 1.678 -13.808 756 HA ASP 103 HA ASP 103 -11.281 4.018 -13.017 757 HB2 ASP 103 1HB ASP 103 -9.543 3.326 -14.764 758 HB3 ASP 103 2HB ASP 103 -9.907 2.160 -13.495 759 H SER 104 H SER 104 -10.442 5.782 -14.257 760 HA SER 104 HA SER 104 -12.063 6.419 -16.635 761 HB2 SER 104 1HB SER 104 -12.763 7.779 -14.715 762 HB3 SER 104 2HB SER 104 -11.103 8.328 -14.487 763 HG SER 104 HG SER 104 -11.398 9.013 -16.837 764 H GLY 105 H GLY 105 -11.058 7.521 -18.324 765 HA2 GLY 105 1HA GLY 105 -8.109 7.475 -18.202 766 HA3 GLY 105 2HA GLY 105 -9.051 7.230 -19.666 767 HA PRO 106 HA PRO 106 -9.074 11.958 -18.491 768 HB2 PRO 106 1HB PRO 106 -6.916 12.733 -17.038 769 HB3 PRO 106 2HB PRO 106 -8.446 12.243 -16.300 770 HG2 PRO 106 1HG PRO 106 -5.932 10.662 -16.678 771 HG3 PRO 106 2HG PRO 106 -6.998 10.748 -15.263 772 HD2 PRO 106 1HD PRO 106 -7.079 8.693 -17.024 773 HD3 PRO 106 2HD PRO 106 -8.520 9.268 -16.162 774 H SER 107 H SER 107 -7.664 13.748 -19.289 775 HA SER 107 HA SER 107 -5.726 12.701 -21.242 776 HB2 SER 107 1HB SER 107 -7.730 13.818 -22.194 777 HB3 SER 107 2HB SER 107 -7.283 15.297 -21.343 778 HG SER 107 HG SER 107 -5.635 13.970 -23.235 779 H SER 108 H SER 108 -3.775 13.808 -21.595 780 HA SER 108 HA SER 108 -2.597 14.905 -19.249 781 HB2 SER 108 1HB SER 108 -1.351 13.561 -20.945 782 HB3 SER 108 2HB SER 108 -1.494 14.912 -22.069 783 HG SER 108 HG SER 108 -0.429 15.395 -19.527 784 H GLY 109 H GLY 109 -2.772 16.919 -18.541 785 HA2 GLY 109 1HA GLY 109 -2.402 19.259 -18.792 786 HA3 GLY 109 2HA GLY 109 -2.818 19.112 -20.493 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.292 7.761 23.590 2 HA2 GLY 1 1HA GLY 1 13.304 8.755 21.302 3 HA3 GLY 1 2HA GLY 1 12.895 7.112 20.832 4 H SER 2 H SER 2 11.292 9.580 22.845 5 HA SER 2 HA SER 2 8.692 8.919 22.313 6 HB2 SER 2 1HB SER 2 9.288 10.617 23.957 7 HB3 SER 2 2HB SER 2 9.834 11.700 22.677 8 HG SER 2 HG SER 2 7.720 12.212 23.351 9 H SER 3 H SER 3 10.467 11.493 20.591 10 HA SER 3 HA SER 3 8.745 10.974 18.256 11 HB2 SER 3 1HB SER 3 9.980 13.598 19.127 12 HB3 SER 3 2HB SER 3 9.036 13.355 17.657 13 HG SER 3 HG SER 3 7.280 13.473 18.798 14 H GLY 4 H GLY 4 9.685 10.962 16.215 15 HA2 GLY 4 1HA GLY 4 12.629 11.120 16.140 16 HA3 GLY 4 2HA GLY 4 11.794 9.733 15.457 17 H SER 5 H SER 5 9.707 10.839 14.126 18 HA SER 5 HA SER 5 9.303 11.545 11.980 19 HB2 SER 5 1HB SER 5 10.440 13.942 13.402 20 HB3 SER 5 2HB SER 5 9.883 14.056 11.733 21 HG SER 5 HG SER 5 7.924 12.900 12.817 22 H SER 6 H SER 6 11.632 10.040 12.056 23 HA SER 6 HA SER 6 13.193 11.340 9.933 24 HB2 SER 6 1HB SER 6 14.279 11.218 12.340 25 HB3 SER 6 2HB SER 6 14.604 9.550 11.871 26 HG SER 6 HG SER 6 15.232 11.560 10.042 27 H GLY 7 H GLY 7 14.461 9.767 8.633 28 HA2 GLY 7 1HA GLY 7 14.602 7.179 8.430 29 HA3 GLY 7 2HA GLY 7 12.861 7.333 8.251 30 HA PRO 8 HA PRO 8 14.812 7.499 4.038 31 HB2 PRO 8 1HB PRO 8 13.130 5.684 2.922 32 HB3 PRO 8 2HB PRO 8 14.619 5.227 3.760 33 HG2 PRO 8 1HG PRO 8 11.799 5.212 4.764 34 HG3 PRO 8 2HG PRO 8 13.071 3.996 4.983 35 HD2 PRO 8 1HD PRO 8 12.428 5.794 6.903 36 HD3 PRO 8 2HD PRO 8 14.078 5.174 6.689 37 HA PRO 9 HA PRO 9 11.821 10.140 2.192 38 HB2 PRO 9 1HB PRO 9 11.958 9.493 -0.441 39 HB3 PRO 9 2HB PRO 9 13.240 10.372 0.400 40 HG2 PRO 9 1HG PRO 9 13.069 7.462 -0.279 41 HG3 PRO 9 2HG PRO 9 14.454 8.562 -0.411 42 HD2 PRO 9 1HD PRO 9 14.165 6.823 1.645 43 HD3 PRO 9 2HD PRO 9 14.955 8.402 1.833 44 H ALA 10 H ALA 10 9.671 10.236 1.749 45 HA ALA 10 HA ALA 10 8.027 8.032 2.132 46 HB1 ALA 10 1HB ALA 10 7.554 10.626 2.127 47 HB2 ALA 10 2HB ALA 10 7.012 10.288 0.482 48 HB3 ALA 10 3HB ALA 10 6.264 9.456 1.846 49 H VAL 11 H VAL 11 7.675 6.316 0.900 50 HA VAL 11 HA VAL 11 8.654 5.724 -1.544 51 HB VAL 11 HB VAL 11 5.900 4.897 -0.618 52 HG11 VAL 11 1HG1 VAL 11 6.421 4.422 -2.996 53 HG12 VAL 11 2HG1 VAL 11 7.815 3.480 -2.466 54 HG13 VAL 11 3HG1 VAL 11 6.185 2.968 -2.027 55 HG21 VAL 11 1HG2 VAL 11 7.078 2.917 0.311 56 HG22 VAL 11 2HG2 VAL 11 8.613 3.708 -0.048 57 HG23 VAL 11 3HG2 VAL 11 7.501 4.428 1.117 58 H SER 12 H SER 12 8.230 6.127 -3.651 59 HA SER 12 HA SER 12 5.845 7.711 -4.312 60 HB2 SER 12 1HB SER 12 7.128 9.210 -5.703 61 HB3 SER 12 2HB SER 12 7.855 9.194 -4.097 62 HG SER 12 HG SER 12 8.910 8.432 -6.489 63 H ASP 13 H ASP 13 5.797 7.927 -6.865 64 HA ASP 13 HA ASP 13 5.167 6.735 -8.718 65 HB2 ASP 13 1HB ASP 13 8.043 6.068 -8.223 66 HB3 ASP 13 2HB ASP 13 7.193 5.273 -9.545 67 H ILE 14 H ILE 14 3.884 5.571 -6.748 68 HA ILE 14 HA ILE 14 4.534 2.749 -6.578 69 HB ILE 14 HB ILE 14 2.196 4.284 -5.439 70 HG12 ILE 14 1HG1 ILE 14 4.502 3.136 -3.889 71 HG13 ILE 14 2HG1 ILE 14 4.617 4.733 -4.620 72 HG21 ILE 14 1HG2 ILE 14 1.781 1.856 -5.849 73 HG22 ILE 14 2HG2 ILE 14 3.113 1.500 -4.751 74 HG23 ILE 14 3HG2 ILE 14 1.680 2.336 -4.155 75 HD11 ILE 14 1HD1 ILE 14 2.608 3.840 -2.569 76 HD12 ILE 14 2HD1 ILE 14 3.969 4.932 -2.316 77 HD13 ILE 14 3HD1 ILE 14 2.626 5.422 -3.348 78 H ARG 15 H ARG 15 4.145 1.688 -8.443 79 HA ARG 15 HA ARG 15 1.717 2.215 -9.954 80 HB2 ARG 15 1HB ARG 15 4.165 0.540 -10.440 81 HB3 ARG 15 2HB ARG 15 2.730 0.360 -11.440 82 HG2 ARG 15 1HG ARG 15 2.897 2.870 -11.841 83 HG3 ARG 15 2HG ARG 15 4.517 2.749 -11.152 84 HD2 ARG 15 1HD ARG 15 5.317 1.495 -12.907 85 HD3 ARG 15 2HD ARG 15 3.722 0.868 -13.322 86 HE ARG 15 HE ARG 15 3.757 3.634 -13.782 87 HH11 ARG 15 2HH1 ARG 15 5.135 0.696 -15.042 88 HH12 ARG 15 1HH1 ARG 15 5.290 1.308 -16.656 89 HH21 ARG 15 2HH2 ARG 15 3.956 4.451 -15.902 90 HH22 ARG 15 1HH2 ARG 15 4.620 3.444 -17.144 91 H VAL 16 H VAL 16 0.274 0.486 -10.591 92 HA VAL 16 HA VAL 16 0.154 -1.704 -8.620 93 HB VAL 16 HB VAL 16 -2.213 -0.245 -9.801 94 HG11 VAL 16 1HG1 VAL 16 -2.921 -1.717 -7.515 95 HG12 VAL 16 2HG1 VAL 16 -3.387 -2.027 -9.188 96 HG13 VAL 16 3HG1 VAL 16 -1.947 -2.792 -8.517 97 HG21 VAL 16 1HG2 VAL 16 -2.321 1.083 -7.982 98 HG22 VAL 16 2HG2 VAL 16 -1.722 -0.173 -6.898 99 HG23 VAL 16 3HG2 VAL 16 -0.591 0.751 -7.886 100 H THR 17 H THR 17 0.457 -3.589 -9.588 101 HA THR 17 HA THR 17 -0.496 -3.930 -12.355 102 HB THR 17 HB THR 17 2.009 -4.162 -11.853 103 HG1 THR 17 1HG THR 17 1.155 -4.945 -13.785 104 HG21 THR 17 1HG2 THR 17 1.013 -6.761 -10.680 105 HG22 THR 17 2HG2 THR 17 1.845 -5.471 -9.812 106 HG23 THR 17 3HG2 THR 17 2.696 -6.394 -11.050 107 H ARG 18 H ARG 18 -1.352 -6.018 -12.946 108 HA ARG 18 HA ARG 18 -2.819 -7.736 -12.679 109 HB2 ARG 18 1HB ARG 18 -1.025 -8.034 -10.294 110 HB3 ARG 18 2HB ARG 18 -2.420 -9.088 -10.479 111 HG2 ARG 18 1HG ARG 18 -0.304 -8.758 -12.590 112 HG3 ARG 18 2HG ARG 18 -0.257 -10.004 -11.341 113 HD2 ARG 18 1HD ARG 18 -2.733 -9.725 -12.964 114 HD3 ARG 18 2HD ARG 18 -1.318 -10.456 -13.721 115 HE ARG 18 HE ARG 18 -1.629 -11.731 -11.296 116 HH11 ARG 18 2HH1 ARG 18 -3.506 -11.287 -14.194 117 HH12 ARG 18 1HH1 ARG 18 -4.339 -12.799 -14.042 118 HH21 ARG 18 2HH2 ARG 18 -2.718 -13.724 -11.085 119 HH22 ARG 18 1HH2 ARG 18 -3.891 -14.184 -12.273 120 H SER 19 H SER 19 -4.046 -5.445 -12.208 121 HA SER 19 HA SER 19 -5.226 -5.253 -9.610 122 HB2 SER 19 1HB SER 19 -5.713 -3.910 -12.254 123 HB3 SER 19 2HB SER 19 -6.843 -3.684 -10.918 124 HG SER 19 HG SER 19 -5.442 -2.122 -10.518 125 H SER 20 H SER 20 -6.627 -6.691 -8.861 126 HA SER 20 HA SER 20 -8.600 -7.837 -10.728 127 HB2 SER 20 1HB SER 20 -7.376 -9.069 -8.249 128 HB3 SER 20 2HB SER 20 -8.688 -9.792 -9.179 129 HG SER 20 HG SER 20 -6.081 -9.191 -10.129 130 HA PRO 21 HA PRO 21 -11.834 -6.086 -8.329 131 HB2 PRO 21 1HB PRO 21 -13.791 -7.931 -8.703 132 HB3 PRO 21 2HB PRO 21 -13.269 -6.814 -9.970 133 HG2 PRO 21 1HG PRO 21 -12.514 -9.679 -9.542 134 HG3 PRO 21 2HG PRO 21 -12.924 -8.843 -11.051 135 HD2 PRO 21 1HD PRO 21 -10.368 -9.357 -10.317 136 HD3 PRO 21 2HD PRO 21 -10.822 -7.921 -11.258 137 H SER 22 H SER 22 -10.216 -8.846 -7.407 138 HA SER 22 HA SER 22 -11.651 -8.918 -4.838 139 HB2 SER 22 1HB SER 22 -10.409 -11.323 -6.191 140 HB3 SER 22 2HB SER 22 -11.338 -11.313 -4.692 141 HG SER 22 HG SER 22 -12.351 -11.816 -6.931 142 H SER 23 H SER 23 -8.829 -8.234 -6.396 143 HA SER 23 HA SER 23 -7.336 -8.273 -3.902 144 HB2 SER 23 1HB SER 23 -5.541 -9.585 -4.625 145 HB3 SER 23 2HB SER 23 -6.937 -10.458 -5.257 146 HG SER 23 HG SER 23 -4.926 -9.147 -6.593 147 H LEU 24 H LEU 24 -5.302 -7.040 -4.063 148 HA LEU 24 HA LEU 24 -5.089 -5.250 -6.353 149 HB2 LEU 24 1HB LEU 24 -5.917 -4.448 -3.616 150 HB3 LEU 24 2HB LEU 24 -4.817 -3.382 -4.487 151 HG LEU 24 HG LEU 24 -7.457 -4.272 -5.627 152 HD11 LEU 24 1HD1 LEU 24 -7.372 -2.884 -3.350 153 HD12 LEU 24 2HD1 LEU 24 -8.582 -2.598 -4.601 154 HD13 LEU 24 3HD1 LEU 24 -7.163 -1.557 -4.493 155 HD21 LEU 24 1HD2 LEU 24 -5.707 -1.896 -6.249 156 HD22 LEU 24 2HD2 LEU 24 -7.170 -2.393 -7.101 157 HD23 LEU 24 3HD2 LEU 24 -5.723 -3.400 -7.171 158 H SER 25 H SER 25 -3.040 -5.575 -6.924 159 HA SER 25 HA SER 25 -0.997 -6.167 -4.972 160 HB2 SER 25 1HB SER 25 -1.271 -7.022 -7.466 161 HB3 SER 25 2HB SER 25 -0.336 -5.570 -7.825 162 HG SER 25 HG SER 25 0.404 -7.684 -6.081 163 H LEU 26 H LEU 26 1.148 -4.983 -5.162 164 HA LEU 26 HA LEU 26 0.980 -2.186 -5.879 165 HB2 LEU 26 1HB LEU 26 1.513 -2.973 -3.019 166 HB3 LEU 26 2HB LEU 26 1.516 -1.339 -3.678 167 HG LEU 26 HG LEU 26 -0.948 -3.063 -3.669 168 HD11 LEU 26 1HD1 LEU 26 -1.611 -1.763 -1.648 169 HD12 LEU 26 2HD1 LEU 26 0.053 -1.192 -1.532 170 HD13 LEU 26 3HD1 LEU 26 -0.301 -2.913 -1.376 171 HD21 LEU 26 1HD2 LEU 26 -2.086 -0.920 -3.871 172 HD22 LEU 26 2HD2 LEU 26 -0.928 -1.139 -5.183 173 HD23 LEU 26 3HD2 LEU 26 -0.537 -0.079 -3.828 174 H ALA 27 H ALA 27 2.942 -1.332 -6.359 175 HA ALA 27 HA ALA 27 5.379 -2.578 -5.403 176 HB1 ALA 27 1HB ALA 27 5.945 -3.716 -7.225 177 HB2 ALA 27 2HB ALA 27 4.304 -3.452 -7.817 178 HB3 ALA 27 3HB ALA 27 5.594 -2.338 -8.270 179 H TRP 28 H TRP 28 6.863 -1.060 -5.048 180 HA TRP 28 HA TRP 28 6.537 1.537 -6.399 181 HB2 TRP 28 1HB TRP 28 8.048 2.211 -4.301 182 HB3 TRP 28 2HB TRP 28 6.290 2.145 -4.210 183 HD1 TRP 28 HD TRP 28 9.198 1.037 -2.353 184 HE1 TRP 28 1HE TRP 28 8.623 -0.894 -0.752 185 HE3 TRP 28 3HE TRP 28 4.648 -0.283 -4.275 186 HZ2 TRP 28 2HZ TRP 28 6.519 -2.734 -0.356 187 HZ3 TRP 28 3HZ TRP 28 3.419 -2.139 -3.227 188 HH2 TRP 28 HH TRP 28 4.337 -3.339 -1.309 189 H ALA 29 H ALA 29 8.648 2.805 -6.507 190 HA ALA 29 HA ALA 29 10.658 1.063 -7.707 191 HB1 ALA 29 1HB ALA 29 9.632 3.246 -8.731 192 HB2 ALA 29 2HB ALA 29 10.870 4.035 -7.752 193 HB3 ALA 29 3HB ALA 29 11.334 2.852 -8.974 194 H VAL 30 H VAL 30 12.314 0.402 -6.518 195 HA VAL 30 HA VAL 30 12.995 0.964 -3.986 196 HB VAL 30 HB VAL 30 14.982 0.531 -6.221 197 HG11 VAL 30 1HG1 VAL 30 15.255 0.419 -3.232 198 HG12 VAL 30 2HG1 VAL 30 16.348 -0.459 -4.305 199 HG13 VAL 30 3HG1 VAL 30 16.243 1.300 -4.398 200 HG21 VAL 30 1HG2 VAL 30 13.038 -1.148 -5.694 201 HG22 VAL 30 2HG2 VAL 30 14.674 -1.735 -5.990 202 HG23 VAL 30 3HG2 VAL 30 14.073 -1.595 -4.338 203 HA PRO 31 HA PRO 31 13.881 5.390 -4.419 204 HB2 PRO 31 1HB PRO 31 13.552 5.924 -1.777 205 HB3 PRO 31 2HB PRO 31 12.198 5.788 -2.906 206 HG2 PRO 31 1HG PRO 31 13.271 3.762 -0.981 207 HG3 PRO 31 2HG PRO 31 11.586 4.180 -1.342 208 HD2 PRO 31 1HD PRO 31 12.802 1.998 -2.388 209 HD3 PRO 31 2HD PRO 31 11.548 2.903 -3.260 210 H ARG 32 H ARG 32 15.438 6.819 -3.211 211 HA ARG 32 HA ARG 32 17.877 5.302 -2.671 212 HB2 ARG 32 1HB ARG 32 17.323 8.165 -3.400 213 HB3 ARG 32 2HB ARG 32 18.884 7.683 -2.751 214 HG2 ARG 32 1HG ARG 32 18.929 5.949 -4.624 215 HG3 ARG 32 2HG ARG 32 17.599 6.868 -5.331 216 HD2 ARG 32 1HD ARG 32 19.226 8.896 -4.911 217 HD3 ARG 32 2HD ARG 32 20.453 7.631 -4.950 218 HE ARG 32 HE ARG 32 18.717 7.402 -7.174 219 HH11 ARG 32 2HH1 ARG 32 21.338 9.321 -5.923 220 HH12 ARG 32 1HH1 ARG 32 21.914 9.790 -7.489 221 HH21 ARG 32 2HH2 ARG 32 19.465 8.013 -9.241 222 HH22 ARG 32 1HH2 ARG 32 20.847 9.046 -9.375 223 H ALA 33 H ALA 33 17.651 4.620 -0.567 224 HA ALA 33 HA ALA 33 16.687 6.167 1.569 225 HB1 ALA 33 1HB ALA 33 16.780 4.135 2.461 226 HB2 ALA 33 2HB ALA 33 17.896 3.577 1.213 227 HB3 ALA 33 3HB ALA 33 18.517 4.366 2.662 228 HA PRO 34 HA PRO 34 19.973 8.818 2.761 229 HB2 PRO 34 1HB PRO 34 19.970 8.611 5.468 230 HB3 PRO 34 2HB PRO 34 18.699 9.446 4.567 231 HG2 PRO 34 1HG PRO 34 18.708 6.676 5.703 232 HG3 PRO 34 2HG PRO 34 17.418 7.892 5.730 233 HD2 PRO 34 1HD PRO 34 17.441 5.832 3.974 234 HD3 PRO 34 2HD PRO 34 16.755 7.419 3.574 235 H SER 35 H SER 35 20.069 5.578 4.159 236 HA SER 35 HA SER 35 22.937 5.475 3.712 237 HB2 SER 35 1HB SER 35 21.691 5.183 6.448 238 HB3 SER 35 2HB SER 35 23.292 4.555 6.056 239 HG SER 35 HG SER 35 24.045 6.498 6.248 240 H GLY 36 H GLY 36 23.746 3.382 3.496 241 HA2 GLY 36 1HA GLY 36 23.585 1.204 2.763 242 HA3 GLY 36 2HA GLY 36 22.625 0.990 4.219 243 H ALA 37 H ALA 37 21.297 -0.552 3.233 244 HA ALA 37 HA ALA 37 19.714 0.286 0.927 245 HB1 ALA 37 1HB ALA 37 19.163 -2.334 2.141 246 HB2 ALA 37 2HB ALA 37 19.432 -1.894 0.453 247 HB3 ALA 37 3HB ALA 37 20.806 -2.113 1.537 248 H VAL 38 H VAL 38 17.325 -0.599 1.091 249 HA VAL 38 HA VAL 38 16.165 0.732 3.423 250 HB VAL 38 HB VAL 38 14.884 -0.169 0.840 251 HG11 VAL 38 1HG1 VAL 38 13.647 1.550 2.977 252 HG12 VAL 38 2HG1 VAL 38 12.868 0.843 1.560 253 HG13 VAL 38 3HG1 VAL 38 13.401 -0.194 2.884 254 HG21 VAL 38 1HG2 VAL 38 15.404 2.630 1.824 255 HG22 VAL 38 2HG2 VAL 38 16.476 1.764 0.723 256 HG23 VAL 38 3HG2 VAL 38 14.823 2.137 0.233 257 H LEU 39 H LEU 39 14.913 -0.274 4.910 258 HA LEU 39 HA LEU 39 14.980 -3.166 4.959 259 HB2 LEU 39 1HB LEU 39 13.790 -1.224 6.934 260 HB3 LEU 39 2HB LEU 39 14.049 -2.947 7.197 261 HG LEU 39 HG LEU 39 16.264 -0.953 6.739 262 HD11 LEU 39 1HD1 LEU 39 15.760 -0.252 8.806 263 HD12 LEU 39 2HD1 LEU 39 16.495 -1.770 9.321 264 HD13 LEU 39 3HD1 LEU 39 14.744 -1.653 9.144 265 HD21 LEU 39 1HD2 LEU 39 16.771 -3.485 8.126 266 HD22 LEU 39 2HD2 LEU 39 17.708 -2.665 6.877 267 HD23 LEU 39 3HD2 LEU 39 16.317 -3.655 6.430 268 H ASP 40 H ASP 40 12.815 -4.116 6.020 269 HA ASP 40 HA ASP 40 10.962 -4.491 4.097 270 HB2 ASP 40 1HB ASP 40 9.286 -4.760 6.098 271 HB3 ASP 40 2HB ASP 40 10.652 -5.861 5.935 272 H TYR 41 H TYR 41 8.753 -3.727 3.792 273 HA TYR 41 HA TYR 41 8.543 -0.830 4.286 274 HB2 TYR 41 1HB TYR 41 7.335 -2.465 2.046 275 HB3 TYR 41 2HB TYR 41 7.146 -0.729 2.262 276 HD1 TYR 41 1HD TYR 41 9.643 -3.386 1.584 277 HD2 TYR 41 2HD TYR 41 8.766 0.775 1.443 278 HE1 TYR 41 1HE TYR 41 11.683 -3.007 0.263 279 HE2 TYR 41 2HE TYR 41 10.803 1.165 0.121 280 HH TYR 41 HH TYR 41 12.761 0.241 -0.560 281 H GLU 42 H GLU 42 6.273 -0.005 4.386 282 HA GLU 42 HA GLU 42 4.517 -1.934 5.756 283 HB2 GLU 42 1HB GLU 42 5.546 -0.312 7.320 284 HB3 GLU 42 2HB GLU 42 4.836 1.003 6.394 285 HG2 GLU 42 1HG GLU 42 3.233 -1.159 7.734 286 HG3 GLU 42 2HG GLU 42 3.604 0.399 8.471 287 H VAL 43 H VAL 43 2.655 -2.248 4.750 288 HA VAL 43 HA VAL 43 1.671 -0.166 2.916 289 HB VAL 43 HB VAL 43 1.044 -3.122 2.944 290 HG11 VAL 43 1HG1 VAL 43 -0.011 -0.826 1.362 291 HG12 VAL 43 2HG1 VAL 43 0.147 -2.404 0.587 292 HG13 VAL 43 3HG1 VAL 43 -0.859 -2.223 2.025 293 HG21 VAL 43 1HG2 VAL 43 2.348 -3.229 0.896 294 HG22 VAL 43 2HG2 VAL 43 2.693 -1.503 1.002 295 HG23 VAL 43 3HG2 VAL 43 3.336 -2.607 2.218 296 H LYS 44 H LYS 44 0.175 1.058 3.862 297 HA LYS 44 HA LYS 44 -1.833 -0.256 5.573 298 HB2 LYS 44 1HB LYS 44 -0.602 1.319 6.880 299 HB3 LYS 44 2HB LYS 44 -0.726 2.550 5.630 300 HG2 LYS 44 1HG LYS 44 -3.307 2.241 6.059 301 HG3 LYS 44 2HG LYS 44 -2.737 1.655 7.624 302 HD2 LYS 44 1HD LYS 44 -1.590 4.194 6.590 303 HD3 LYS 44 2HD LYS 44 -3.253 4.222 7.181 304 HE2 LYS 44 1HE LYS 44 -2.116 4.691 9.114 305 HE3 LYS 44 2HE LYS 44 -2.209 2.934 9.219 306 HZ1 LYS 44 1HZ LYS 44 0.046 3.015 8.019 307 HZ2 LYS 44 2HZ LYS 44 -0.003 3.373 9.671 308 HZ3 LYS 44 3HZ LYS 44 0.107 4.624 8.538 309 H TYR 45 H TYR 45 -3.711 -0.520 4.577 310 HA TYR 45 HA TYR 45 -4.621 1.579 2.719 311 HB2 TYR 45 1HB TYR 45 -5.884 -0.259 1.548 312 HB3 TYR 45 2HB TYR 45 -4.133 -0.360 1.407 313 HD1 TYR 45 2HD TYR 45 -2.965 -1.862 3.239 314 HD2 TYR 45 1HD TYR 45 -7.059 -2.166 2.120 315 HE1 TYR 45 2HE TYR 45 -3.024 -4.165 4.101 316 HE2 TYR 45 1HE TYR 45 -7.129 -4.469 2.980 317 HH TYR 45 HH TYR 45 -4.478 -5.837 4.786 318 H HIS 46 H HIS 46 -6.633 2.378 2.997 319 HA HIS 46 HA HIS 46 -8.460 1.020 4.839 320 HB2 HIS 46 1HB HIS 46 -8.816 2.911 6.198 321 HB3 HIS 46 2HB HIS 46 -7.067 2.824 6.014 322 HD1 HIS 46 1HD HIS 46 -9.670 5.206 5.971 323 HD2 HIS 46 2HD HIS 46 -6.275 4.600 3.654 324 HE1 HIS 46 1HE HIS 46 -9.213 7.414 4.857 325 HE2 HIS 46 2HE HIS 46 -7.205 6.999 3.394 326 H GLU 47 H GLU 47 -10.549 1.106 4.230 327 HA GLU 47 HA GLU 47 -11.277 1.868 1.659 328 HB2 GLU 47 1HB GLU 47 -12.479 0.323 3.361 329 HB3 GLU 47 2HB GLU 47 -13.269 1.796 3.906 330 HG2 GLU 47 1HG GLU 47 -14.371 2.101 1.876 331 HG3 GLU 47 2HG GLU 47 -13.292 1.000 1.021 332 H LYS 48 H LYS 48 -12.396 3.612 0.804 333 HA LYS 48 HA LYS 48 -11.987 6.120 2.205 334 HB2 LYS 48 1HB LYS 48 -11.602 5.557 -0.343 335 HB3 LYS 48 2HB LYS 48 -13.313 5.944 -0.470 336 HG2 LYS 48 1HG LYS 48 -12.990 8.160 0.092 337 HG3 LYS 48 2HG LYS 48 -11.452 7.839 0.895 338 HD2 LYS 48 1HD LYS 48 -10.292 7.687 -1.115 339 HD3 LYS 48 2HD LYS 48 -11.758 7.374 -2.048 340 HE2 LYS 48 1HE LYS 48 -11.271 9.568 -2.603 341 HE3 LYS 48 2HE LYS 48 -12.443 9.758 -1.300 342 HZ1 LYS 48 1HZ LYS 48 -10.585 11.243 -0.988 343 HZ2 LYS 48 2HZ LYS 48 -9.492 9.953 -1.037 344 HZ3 LYS 48 3HZ LYS 48 -10.592 10.081 0.242 345 H GLY 49 H GLY 49 -13.503 6.318 3.798 346 HA2 GLY 49 1HA GLY 49 -15.736 7.528 3.847 347 HA3 GLY 49 2HA GLY 49 -16.331 6.121 2.978 348 H ALA 50 H ALA 50 -15.005 4.095 4.357 349 HA ALA 50 HA ALA 50 -16.703 3.449 6.388 350 HB1 ALA 50 1HB ALA 50 -15.090 1.819 7.123 351 HB2 ALA 50 2HB ALA 50 -15.048 1.921 5.362 352 HB3 ALA 50 3HB ALA 50 -13.785 2.694 6.320 353 H GLU 51 H GLU 51 -16.456 3.368 8.714 354 HA GLU 51 HA GLU 51 -14.794 5.540 9.801 355 HB2 GLU 51 1HB GLU 51 -16.607 6.126 11.343 356 HB3 GLU 51 2HB GLU 51 -17.108 6.313 9.668 357 HG2 GLU 51 1HG GLU 51 -18.110 3.978 9.890 358 HG3 GLU 51 2HG GLU 51 -17.893 4.187 11.626 359 H GLY 52 H GLY 52 -13.544 4.965 11.461 360 HA2 GLY 52 1HA GLY 52 -13.542 3.822 13.684 361 HA3 GLY 52 2HA GLY 52 -14.174 2.422 12.831 362 HA PRO 53 HA PRO 53 -9.399 2.608 12.943 363 HB2 PRO 53 1HB PRO 53 -8.947 0.882 14.988 364 HB3 PRO 53 2HB PRO 53 -9.096 2.628 15.220 365 HG2 PRO 53 1HG PRO 53 -11.138 0.479 15.642 366 HG3 PRO 53 2HG PRO 53 -10.765 1.884 16.658 367 HD2 PRO 53 1HD PRO 53 -12.878 1.831 14.965 368 HD3 PRO 53 2HD PRO 53 -11.991 3.322 15.339 369 H SER 54 H SER 54 -11.935 0.337 12.795 370 HA SER 54 HA SER 54 -10.261 -1.913 12.068 371 HB2 SER 54 1HB SER 54 -12.495 -3.025 11.631 372 HB3 SER 54 2HB SER 54 -12.243 -2.467 13.285 373 HG SER 54 HG SER 54 -13.752 -1.187 11.251 374 H SER 55 H SER 55 -10.988 0.804 10.506 375 HA SER 55 HA SER 55 -11.694 -0.359 7.933 376 HB2 SER 55 1HB SER 55 -12.784 1.724 8.494 377 HB3 SER 55 2HB SER 55 -11.232 2.503 8.800 378 HG SER 55 HG SER 55 -10.804 2.526 6.663 379 H VAL 56 H VAL 56 -8.951 1.126 9.550 380 HA VAL 56 HA VAL 56 -7.321 0.990 7.141 381 HB VAL 56 HB VAL 56 -6.554 1.875 9.927 382 HG11 VAL 56 1HG1 VAL 56 -5.029 1.409 7.515 383 HG12 VAL 56 2HG1 VAL 56 -4.894 3.083 8.056 384 HG13 VAL 56 3HG1 VAL 56 -4.471 1.765 9.149 385 HG21 VAL 56 1HG2 VAL 56 -6.740 3.896 7.830 386 HG22 VAL 56 2HG2 VAL 56 -8.286 3.140 8.216 387 HG23 VAL 56 3HG2 VAL 56 -7.346 3.922 9.487 388 H ARG 57 H ARG 57 -6.089 -0.694 6.642 389 HA ARG 57 HA ARG 57 -5.504 -2.672 8.742 390 HB2 ARG 57 1HB ARG 57 -5.932 -2.944 5.777 391 HB3 ARG 57 2HB ARG 57 -5.106 -4.194 6.699 392 HG2 ARG 57 1HG ARG 57 -7.258 -3.982 8.222 393 HG3 ARG 57 2HG ARG 57 -7.960 -3.393 6.714 394 HD2 ARG 57 1HD ARG 57 -7.208 -5.431 5.579 395 HD3 ARG 57 2HD ARG 57 -6.523 -6.018 7.094 396 HE ARG 57 HE ARG 57 -9.274 -5.406 7.401 397 HH11 ARG 57 2HH1 ARG 57 -7.112 -7.776 6.049 398 HH12 ARG 57 1HH1 ARG 57 -8.247 -9.079 6.184 399 HH21 ARG 57 2HH2 ARG 57 -10.776 -7.112 7.585 400 HH22 ARG 57 1HH2 ARG 57 -10.331 -8.700 7.057 401 H PHE 58 H PHE 58 -3.450 -3.915 8.390 402 HA PHE 58 HA PHE 58 -1.343 -2.234 7.214 403 HB2 PHE 58 1HB PHE 58 -1.436 -3.445 9.968 404 HB3 PHE 58 2HB PHE 58 0.096 -3.056 9.192 405 HD1 PHE 58 2HD PHE 58 -2.953 -1.702 10.682 406 HD2 PHE 58 1HD PHE 58 0.767 -0.766 8.839 407 HE1 PHE 58 2HE PHE 58 -3.161 0.625 11.453 408 HE2 PHE 58 1HE PHE 58 0.566 1.563 9.608 409 HZ PHE 58 HZ PHE 58 -1.400 2.261 10.916 410 H LEU 59 H LEU 59 0.472 -3.333 6.416 411 HA LEU 59 HA LEU 59 0.492 -6.241 6.503 412 HB2 LEU 59 1HB LEU 59 -0.859 -5.999 4.604 413 HB3 LEU 59 2HB LEU 59 0.068 -4.620 4.016 414 HG LEU 59 HG LEU 59 1.978 -6.455 3.841 415 HD11 LEU 59 1HD1 LEU 59 -0.317 -8.176 3.072 416 HD12 LEU 59 2HD1 LEU 59 0.135 -8.101 4.775 417 HD13 LEU 59 3HD1 LEU 59 1.316 -8.618 3.572 418 HD21 LEU 59 1HD2 LEU 59 -0.035 -5.385 2.042 419 HD22 LEU 59 2HD2 LEU 59 0.573 -6.955 1.517 420 HD23 LEU 59 3HD2 LEU 59 1.695 -5.622 1.793 421 H LYS 60 H LYS 60 2.499 -6.715 7.078 422 HA LYS 60 HA LYS 60 4.694 -4.952 6.304 423 HB2 LYS 60 1HB LYS 60 4.396 -7.159 8.322 424 HB3 LYS 60 2HB LYS 60 5.988 -6.577 7.852 425 HG2 LYS 60 1HG LYS 60 5.707 -4.557 8.878 426 HG3 LYS 60 2HG LYS 60 3.952 -4.584 8.697 427 HD2 LYS 60 1HD LYS 60 3.655 -5.956 10.542 428 HD3 LYS 60 2HD LYS 60 5.308 -6.572 10.475 429 HE2 LYS 60 1HE LYS 60 5.317 -5.144 12.319 430 HE3 LYS 60 2HE LYS 60 6.015 -4.169 11.027 431 HZ1 LYS 60 1HZ LYS 60 4.492 -2.670 11.608 432 HZ2 LYS 60 2HZ LYS 60 3.578 -3.782 12.497 433 HZ3 LYS 60 3HZ LYS 60 3.364 -3.657 10.823 434 H THR 61 H THR 61 6.048 -5.411 4.702 435 HA THR 61 HA THR 61 6.400 -8.205 3.876 436 HB THR 61 HB THR 61 4.731 -7.126 2.366 437 HG1 THR 61 1HG THR 61 7.184 -8.178 1.541 438 HG21 THR 61 1HG2 THR 61 5.069 -5.136 1.401 439 HG22 THR 61 2HG2 THR 61 6.694 -5.582 0.880 440 HG23 THR 61 3HG2 THR 61 6.432 -4.944 2.503 441 H SER 62 H SER 62 8.444 -8.742 3.303 442 HA SER 62 HA SER 62 10.500 -6.736 3.731 443 HB2 SER 62 1HB SER 62 12.063 -8.645 3.649 444 HB3 SER 62 2HB SER 62 10.756 -8.927 4.799 445 HG SER 62 HG SER 62 11.401 -10.630 3.127 446 H GLU 63 H GLU 63 9.008 -6.270 1.424 447 HA GLU 63 HA GLU 63 11.109 -6.225 -0.539 448 HB2 GLU 63 1HB GLU 63 10.025 -7.457 -2.266 449 HB3 GLU 63 2HB GLU 63 10.034 -8.482 -0.838 450 HG2 GLU 63 1HG GLU 63 7.659 -7.346 -0.489 451 HG3 GLU 63 2HG GLU 63 7.769 -7.199 -2.242 452 H ASN 64 H ASN 64 10.458 -5.001 -2.496 453 HA ASN 64 HA ASN 64 8.804 -2.759 -1.721 454 HB2 ASN 64 1HB ASN 64 9.631 -1.694 -3.748 455 HB3 ASN 64 2HB ASN 64 10.973 -2.414 -2.864 456 HD21 ASN 64 1HD2 ASN 64 11.223 -1.764 -5.503 457 HD22 ASN 64 2HD2 ASN 64 11.335 -3.204 -6.451 458 H ARG 65 H ARG 65 7.505 -5.329 -2.189 459 HA ARG 65 HA ARG 65 5.403 -4.388 -3.924 460 HB2 ARG 65 1HB ARG 65 5.421 -6.411 -5.363 461 HB3 ARG 65 2HB ARG 65 6.832 -5.386 -5.594 462 HG2 ARG 65 1HG ARG 65 8.150 -6.891 -4.181 463 HG3 ARG 65 2HG ARG 65 6.734 -7.924 -3.977 464 HD2 ARG 65 1HD ARG 65 7.744 -9.013 -5.706 465 HD3 ARG 65 2HD ARG 65 6.762 -7.869 -6.620 466 HE ARG 65 HE ARG 65 9.405 -6.916 -5.988 467 HH11 ARG 65 2HH1 ARG 65 7.447 -8.689 -8.255 468 HH12 ARG 65 1HH1 ARG 65 8.521 -8.425 -9.589 469 HH21 ARG 65 2HH2 ARG 65 10.827 -6.562 -7.736 470 HH22 ARG 65 1HH2 ARG 65 10.444 -7.216 -9.292 471 H ALA 66 H ALA 66 3.442 -5.452 -3.594 472 HA ALA 66 HA ALA 66 3.353 -7.745 -1.811 473 HB1 ALA 66 1HB ALA 66 3.369 -5.462 -0.515 474 HB2 ALA 66 2HB ALA 66 1.669 -5.431 -0.987 475 HB3 ALA 66 3HB ALA 66 2.293 -6.772 -0.027 476 H GLU 67 H GLU 67 1.010 -8.422 -1.440 477 HA GLU 67 HA GLU 67 -0.740 -7.659 -3.659 478 HB2 GLU 67 1HB GLU 67 0.531 -9.641 -4.399 479 HB3 GLU 67 2HB GLU 67 -0.036 -10.521 -2.987 480 HG2 GLU 67 1HG GLU 67 -2.258 -10.547 -3.767 481 HG3 GLU 67 2HG GLU 67 -1.914 -9.345 -5.010 482 H LEU 68 H LEU 68 -2.544 -6.991 -2.711 483 HA LEU 68 HA LEU 68 -3.364 -8.086 -0.148 484 HB2 LEU 68 1HB LEU 68 -4.784 -5.996 -1.779 485 HB3 LEU 68 2HB LEU 68 -4.937 -6.310 -0.051 486 HG LEU 68 HG LEU 68 -2.383 -5.312 -1.290 487 HD11 LEU 68 1HD1 LEU 68 -3.188 -3.255 -1.481 488 HD12 LEU 68 2HD1 LEU 68 -3.842 -3.305 0.156 489 HD13 LEU 68 3HD1 LEU 68 -4.801 -3.909 -1.195 490 HD21 LEU 68 1HD2 LEU 68 -1.597 -5.152 0.811 491 HD22 LEU 68 2HD2 LEU 68 -2.832 -6.362 1.162 492 HD23 LEU 68 3HD2 LEU 68 -3.155 -4.655 1.470 493 H ARG 69 H ARG 69 -4.863 -9.605 0.112 494 HA ARG 69 HA ARG 69 -6.551 -10.299 -2.200 495 HB2 ARG 69 1HB ARG 69 -5.221 -11.969 -0.103 496 HB3 ARG 69 2HB ARG 69 -6.708 -12.546 -0.846 497 HG2 ARG 69 1HG ARG 69 -5.733 -12.850 -2.894 498 HG3 ARG 69 2HG ARG 69 -4.495 -11.625 -2.608 499 HD2 ARG 69 1HD ARG 69 -3.202 -13.061 -1.307 500 HD3 ARG 69 2HD ARG 69 -4.554 -14.151 -1.000 501 HE ARG 69 HE ARG 69 -3.787 -14.001 -3.767 502 HH11 ARG 69 2HH1 ARG 69 -3.200 -15.556 -0.708 503 HH12 ARG 69 1HH1 ARG 69 -2.529 -16.988 -1.416 504 HH21 ARG 69 2HH2 ARG 69 -2.906 -15.881 -4.712 505 HH22 ARG 69 1HH2 ARG 69 -2.361 -17.171 -3.694 506 H GLY 70 H GLY 70 -8.737 -10.718 -1.883 507 HA2 GLY 70 1HA GLY 70 -10.772 -10.759 -0.777 508 HA3 GLY 70 2HA GLY 70 -9.906 -10.640 0.748 509 H LEU 71 H LEU 71 -11.112 -8.790 -2.001 510 HA LEU 71 HA LEU 71 -11.475 -6.501 -0.216 511 HB2 LEU 71 1HB LEU 71 -10.244 -6.291 -2.959 512 HB3 LEU 71 2HB LEU 71 -10.621 -4.949 -1.881 513 HG LEU 71 HG LEU 71 -8.700 -7.075 -1.015 514 HD11 LEU 71 1HD1 LEU 71 -8.050 -4.706 -2.763 515 HD12 LEU 71 2HD1 LEU 71 -7.899 -6.408 -3.200 516 HD13 LEU 71 3HD1 LEU 71 -6.867 -5.726 -1.943 517 HD21 LEU 71 1HD2 LEU 71 -9.432 -4.305 -0.242 518 HD22 LEU 71 2HD2 LEU 71 -7.749 -4.796 -0.042 519 HD23 LEU 71 3HD2 LEU 71 -9.034 -5.697 0.766 520 H LYS 72 H LYS 72 -12.721 -4.716 -1.540 521 HA LYS 72 HA LYS 72 -14.868 -6.080 -3.031 522 HB2 LYS 72 1HB LYS 72 -15.052 -3.731 -1.138 523 HB3 LYS 72 2HB LYS 72 -16.380 -4.296 -2.142 524 HG2 LYS 72 1HG LYS 72 -16.481 -6.370 -0.980 525 HG3 LYS 72 2HG LYS 72 -14.982 -6.023 -0.115 526 HD2 LYS 72 1HD LYS 72 -17.307 -4.162 0.142 527 HD3 LYS 72 2HD LYS 72 -17.288 -5.669 1.060 528 HE2 LYS 72 1HE LYS 72 -14.889 -4.903 1.732 529 HE3 LYS 72 2HE LYS 72 -15.461 -3.309 1.242 530 HZ1 LYS 72 1HZ LYS 72 -16.905 -5.009 3.193 531 HZ2 LYS 72 2HZ LYS 72 -17.157 -3.370 2.863 532 HZ3 LYS 72 3HZ LYS 72 -15.745 -3.865 3.651 533 H ARG 73 H ARG 73 -14.044 -5.661 -5.072 534 HA ARG 73 HA ARG 73 -12.891 -3.409 -6.082 535 HB2 ARG 73 1HB ARG 73 -13.437 -4.174 -8.216 536 HB3 ARG 73 2HB ARG 73 -13.487 -5.639 -7.245 537 HG2 ARG 73 1HG ARG 73 -15.937 -4.016 -7.867 538 HG3 ARG 73 2HG ARG 73 -15.363 -5.330 -8.896 539 HD2 ARG 73 1HD ARG 73 -15.735 -5.823 -5.979 540 HD3 ARG 73 2HD ARG 73 -17.154 -5.761 -7.024 541 HE ARG 73 HE ARG 73 -15.239 -7.868 -6.857 542 HH11 ARG 73 2HH1 ARG 73 -17.411 -6.220 -9.022 543 HH12 ARG 73 1HH1 ARG 73 -17.609 -7.584 -10.072 544 HH21 ARG 73 2HH2 ARG 73 -15.491 -9.671 -8.231 545 HH22 ARG 73 1HH2 ARG 73 -16.517 -9.547 -9.620 546 H GLY 74 H GLY 74 -13.702 -1.614 -7.342 547 HA2 GLY 74 1HA GLY 74 -15.280 0.005 -7.927 548 HA3 GLY 74 2HA GLY 74 -16.497 -0.891 -7.029 549 H ALA 75 H ALA 75 -15.479 -1.046 -4.530 550 HA ALA 75 HA ALA 75 -16.017 1.513 -3.477 551 HB1 ALA 75 1HB ALA 75 -16.469 -0.532 -2.232 552 HB2 ALA 75 2HB ALA 75 -14.740 -0.864 -2.129 553 HB3 ALA 75 3HB ALA 75 -15.418 0.545 -1.313 554 H SER 76 H SER 76 -14.746 3.230 -3.318 555 HA SER 76 HA SER 76 -12.143 3.403 -4.206 556 HB2 SER 76 1HB SER 76 -13.728 5.102 -2.292 557 HB3 SER 76 2HB SER 76 -12.057 5.502 -2.691 558 HG SER 76 HG SER 76 -12.927 6.456 -4.349 559 H TYR 77 H TYR 77 -10.163 3.059 -3.372 560 HA TYR 77 HA TYR 77 -9.938 2.417 -0.514 561 HB2 TYR 77 1HB TYR 77 -9.227 0.710 -2.845 562 HB3 TYR 77 2HB TYR 77 -8.128 0.699 -1.469 563 HD1 TYR 77 1HD TYR 77 -9.256 0.313 0.866 564 HD2 TYR 77 2HD TYR 77 -11.036 -0.737 -2.853 565 HE1 TYR 77 1HE TYR 77 -10.716 -1.292 2.025 566 HE2 TYR 77 2HE TYR 77 -12.502 -2.343 -1.705 567 HH TYR 77 HH TYR 77 -13.356 -2.395 1.074 568 H LEU 78 H LEU 78 -8.544 3.777 0.371 569 HA LEU 78 HA LEU 78 -6.480 5.019 -1.280 570 HB2 LEU 78 1HB LEU 78 -7.342 5.611 1.548 571 HB3 LEU 78 2HB LEU 78 -6.173 6.541 0.614 572 HG LEU 78 HG LEU 78 -9.108 6.257 -0.033 573 HD11 LEU 78 1HD1 LEU 78 -8.823 7.590 1.945 574 HD12 LEU 78 2HD1 LEU 78 -9.192 8.654 0.588 575 HD13 LEU 78 3HD1 LEU 78 -7.537 8.524 1.182 576 HD21 LEU 78 1HD2 LEU 78 -8.366 8.319 -1.494 577 HD22 LEU 78 2HD2 LEU 78 -8.196 6.668 -2.090 578 HD23 LEU 78 3HD2 LEU 78 -6.798 7.515 -1.426 579 H VAL 79 H VAL 79 -4.810 3.613 -1.476 580 HA VAL 79 HA VAL 79 -3.782 2.256 0.896 581 HB VAL 79 HB VAL 79 -2.930 2.033 -1.995 582 HG11 VAL 79 1HG1 VAL 79 -2.228 0.019 0.081 583 HG12 VAL 79 2HG1 VAL 79 -1.383 0.451 -1.407 584 HG13 VAL 79 3HG1 VAL 79 -1.292 1.511 0.000 585 HG21 VAL 79 1HG2 VAL 79 -4.812 0.838 -2.172 586 HG22 VAL 79 2HG2 VAL 79 -3.971 -0.387 -1.222 587 HG23 VAL 79 3HG2 VAL 79 -5.039 0.768 -0.424 588 H GLN 80 H GLN 80 -1.859 2.700 1.848 589 HA GLN 80 HA GLN 80 -0.172 4.783 0.640 590 HB2 GLN 80 1HB GLN 80 -1.330 4.690 3.403 591 HB3 GLN 80 2HB GLN 80 0.214 5.486 3.128 592 HG2 GLN 80 1HG GLN 80 -0.714 7.196 1.948 593 HG3 GLN 80 2HG GLN 80 -2.054 6.212 1.362 594 HE21 GLN 80 1HE2 GLN 80 -1.001 8.444 3.688 595 HE22 GLN 80 2HE2 GLN 80 -2.435 8.483 4.651 596 H VAL 81 H VAL 81 1.832 4.083 0.376 597 HA VAL 81 HA VAL 81 2.819 1.935 2.135 598 HB VAL 81 HB VAL 81 3.799 2.633 -0.636 599 HG11 VAL 81 1HG1 VAL 81 4.441 -0.009 0.105 600 HG12 VAL 81 2HG1 VAL 81 5.541 1.350 -0.137 601 HG13 VAL 81 3HG1 VAL 81 4.881 1.024 1.465 602 HG21 VAL 81 1HG2 VAL 81 2.316 1.216 -1.547 603 HG22 VAL 81 2HG2 VAL 81 2.453 0.063 -0.220 604 HG23 VAL 81 3HG2 VAL 81 1.402 1.470 -0.061 605 H ARG 82 H ARG 82 4.699 2.186 3.228 606 HA ARG 82 HA ARG 82 6.285 4.607 2.718 607 HB2 ARG 82 1HB ARG 82 6.460 5.078 5.072 608 HB3 ARG 82 2HB ARG 82 4.757 4.966 4.651 609 HG2 ARG 82 1HG ARG 82 4.503 2.911 5.726 610 HG3 ARG 82 2HG ARG 82 6.242 2.615 5.763 611 HD2 ARG 82 1HD ARG 82 6.542 4.386 7.385 612 HD3 ARG 82 2HD ARG 82 4.831 4.799 7.290 613 HE ARG 82 HE ARG 82 5.372 2.076 8.078 614 HH11 ARG 82 2HH1 ARG 82 4.863 5.352 9.140 615 HH12 ARG 82 1HH1 ARG 82 4.370 4.895 10.737 616 HH21 ARG 82 2HH2 ARG 82 4.724 1.462 10.177 617 HH22 ARG 82 1HH2 ARG 82 4.292 2.682 11.326 618 H ALA 83 H ALA 83 8.484 4.499 3.489 619 HA ALA 83 HA ALA 83 9.475 1.729 3.597 620 HB1 ALA 83 1HB ALA 83 11.539 2.530 2.649 621 HB2 ALA 83 2HB ALA 83 10.192 3.077 1.649 622 HB3 ALA 83 3HB ALA 83 10.983 4.200 2.756 623 H ARG 84 H ARG 84 11.138 1.183 5.049 624 HA ARG 84 HA ARG 84 11.572 3.107 7.235 625 HB2 ARG 84 1HB ARG 84 10.004 1.446 8.021 626 HB3 ARG 84 2HB ARG 84 11.035 0.142 7.447 627 HG2 ARG 84 1HG ARG 84 12.784 1.175 9.074 628 HG3 ARG 84 2HG ARG 84 11.365 1.910 9.824 629 HD2 ARG 84 1HD ARG 84 10.454 -0.574 9.644 630 HD3 ARG 84 2HD ARG 84 12.178 -0.943 9.666 631 HE ARG 84 HE ARG 84 10.582 0.026 11.854 632 HH11 ARG 84 2HH1 ARG 84 13.794 -0.227 10.536 633 HH12 ARG 84 1HH1 ARG 84 14.578 -0.077 12.074 634 HH21 ARG 84 2HH2 ARG 84 11.602 0.224 13.884 635 HH22 ARG 84 1HH2 ARG 84 13.330 0.179 13.978 636 H SER 85 H SER 85 13.601 3.157 8.155 637 HA SER 85 HA SER 85 15.637 1.398 6.962 638 HB2 SER 85 1HB SER 85 15.552 3.806 6.033 639 HB3 SER 85 2HB SER 85 16.199 4.287 7.601 640 HG SER 85 HG SER 85 18.048 3.235 7.182 641 H GLU 86 H GLU 86 17.782 1.659 8.243 642 HA GLU 86 HA GLU 86 17.558 0.572 10.719 643 HB2 GLU 86 1HB GLU 86 19.682 2.233 9.439 644 HB3 GLU 86 2HB GLU 86 19.841 1.842 11.145 645 HG2 GLU 86 1HG GLU 86 19.511 -0.580 10.470 646 HG3 GLU 86 2HG GLU 86 19.746 -0.037 8.810 647 H ALA 87 H ALA 87 17.363 3.973 9.897 648 HA ALA 87 HA ALA 87 17.520 4.987 12.540 649 HB1 ALA 87 1HB ALA 87 17.882 6.308 10.446 650 HB2 ALA 87 2HB ALA 87 16.135 6.282 10.201 651 HB3 ALA 87 3HB ALA 87 16.813 7.071 11.625 652 H GLY 88 H GLY 88 14.684 4.703 10.380 653 HA2 GLY 88 1HA GLY 88 12.984 3.471 12.206 654 HA3 GLY 88 2HA GLY 88 12.806 5.203 12.443 655 H TYR 89 H TYR 89 10.572 4.067 11.751 656 HA TYR 89 HA TYR 89 10.124 3.609 9.007 657 HB2 TYR 89 1HB TYR 89 8.396 4.143 11.379 658 HB3 TYR 89 2HB TYR 89 7.678 4.296 9.780 659 HD1 TYR 89 2HD TYR 89 7.699 2.309 8.241 660 HD2 TYR 89 1HD TYR 89 8.801 2.021 12.340 661 HE1 TYR 89 2HE TYR 89 7.370 -0.127 8.152 662 HE2 TYR 89 1HE TYR 89 8.477 -0.416 12.262 663 HH TYR 89 HH TYR 89 7.204 -2.009 9.379 664 H GLY 90 H GLY 90 9.617 4.930 7.340 665 HA2 GLY 90 1HA GLY 90 9.948 7.795 7.792 666 HA3 GLY 90 2HA GLY 90 9.959 6.979 6.235 667 HA PRO 91 HA PRO 91 5.801 9.066 7.181 668 HB2 PRO 91 1HB PRO 91 6.004 11.111 5.407 669 HB3 PRO 91 2HB PRO 91 6.546 11.237 7.085 670 HG2 PRO 91 1HG PRO 91 8.149 10.716 4.611 671 HG3 PRO 91 2HG PRO 91 8.518 11.781 5.979 672 HD2 PRO 91 1HD PRO 91 9.618 9.321 5.709 673 HD3 PRO 91 2HD PRO 91 9.266 10.041 7.293 674 H PHE 92 H PHE 92 4.022 9.315 5.631 675 HA PHE 92 HA PHE 92 4.267 7.377 3.484 676 HB2 PHE 92 1HB PHE 92 1.910 8.835 4.681 677 HB3 PHE 92 2HB PHE 92 1.767 7.774 3.283 678 HD1 PHE 92 1HD PHE 92 2.771 5.371 3.610 679 HD2 PHE 92 2HD PHE 92 1.594 7.956 6.780 680 HE1 PHE 92 1HE PHE 92 2.549 3.430 5.105 681 HE2 PHE 92 2HE PHE 92 1.370 6.020 8.280 682 HZ PHE 92 HZ PHE 92 1.848 3.753 7.444 683 H GLY 93 H GLY 93 3.953 7.783 1.315 684 HA2 GLY 93 1HA GLY 93 4.341 10.573 0.524 685 HA3 GLY 93 2HA GLY 93 4.594 9.162 -0.493 686 H GLN 94 H GLN 94 3.377 10.690 -1.974 687 HA GLN 94 HA GLN 94 0.785 11.478 -1.757 688 HB2 GLN 94 1HB GLN 94 2.470 11.590 -3.762 689 HB3 GLN 94 2HB GLN 94 1.638 10.135 -4.294 690 HG2 GLN 94 1HG GLN 94 0.662 12.035 -5.371 691 HG3 GLN 94 2HG GLN 94 -0.497 11.369 -4.220 692 HE21 GLN 94 1HE2 GLN 94 1.802 13.955 -4.786 693 HE22 GLN 94 2HE2 GLN 94 1.103 15.077 -3.673 694 H GLU 95 H GLU 95 -1.145 10.548 -1.523 695 HA GLU 95 HA GLU 95 -1.364 7.742 -1.130 696 HB2 GLU 95 1HB GLU 95 -3.329 10.010 -1.203 697 HB3 GLU 95 2HB GLU 95 -3.892 8.346 -1.121 698 HG2 GLU 95 1HG GLU 95 -2.942 8.001 0.981 699 HG3 GLU 95 2HG GLU 95 -1.896 9.412 0.839 700 H HIS 96 H HIS 96 -1.788 6.175 -2.540 701 HA HIS 96 HA HIS 96 -2.263 6.859 -5.317 702 HB2 HIS 96 1HB HIS 96 -0.678 5.009 -4.345 703 HB3 HIS 96 2HB HIS 96 -2.149 4.041 -4.304 704 HD1 HIS 96 1HD HIS 96 -0.714 6.368 -6.962 705 HD2 HIS 96 2HD HIS 96 -2.119 2.485 -6.504 706 HE1 HIS 96 1HE HIS 96 -0.600 5.337 -9.253 707 HE2 HIS 96 2HE HIS 96 -1.535 3.016 -8.968 708 H HIS 97 H HIS 97 -3.887 5.570 -6.568 709 HA HIS 97 HA HIS 97 -6.319 5.066 -4.989 710 HB2 HIS 97 1HB HIS 97 -6.169 7.294 -6.374 711 HB3 HIS 97 2HB HIS 97 -6.514 6.236 -7.739 712 HD1 HIS 97 1HD HIS 97 -8.897 5.452 -8.031 713 HD2 HIS 97 2HD HIS 97 -8.274 7.438 -4.435 714 HE1 HIS 97 1HE HIS 97 -11.187 5.809 -7.054 715 HE2 HIS 97 2HE HIS 97 -10.790 7.088 -4.921 716 H SER 98 H SER 98 -6.465 2.901 -5.104 717 HA SER 98 HA SER 98 -5.546 1.171 -6.996 718 HB2 SER 98 1HB SER 98 -7.254 -0.419 -6.238 719 HB3 SER 98 2HB SER 98 -6.569 0.459 -4.870 720 HG SER 98 HG SER 98 -8.405 1.707 -4.770 721 H GLN 99 H GLN 99 -6.338 0.204 -8.867 722 HA GLN 99 HA GLN 99 -8.249 1.847 -10.346 723 HB2 GLN 99 1HB GLN 99 -6.297 -0.279 -11.235 724 HB3 GLN 99 2HB GLN 99 -7.431 0.518 -12.318 725 HG2 GLN 99 1HG GLN 99 -5.251 1.864 -10.739 726 HG3 GLN 99 2HG GLN 99 -5.218 1.507 -12.465 727 HE21 GLN 99 1HE2 GLN 99 -7.372 2.334 -13.549 728 HE22 GLN 99 2HE2 GLN 99 -7.736 3.988 -13.209 729 H THR 100 H THR 100 -7.633 -1.573 -9.599 730 HA THR 100 HA THR 100 -8.973 -3.424 -9.782 731 HB THR 100 HB THR 100 -11.108 -3.247 -8.590 732 HG1 THR 100 1HG THR 100 -11.768 -1.196 -9.369 733 HG21 THR 100 1HG2 THR 100 -8.927 -3.314 -7.354 734 HG22 THR 100 2HG2 THR 100 -10.253 -2.576 -6.456 735 HG23 THR 100 3HG2 THR 100 -9.024 -1.560 -7.209 736 H GLN 101 H GLN 101 -8.847 -1.938 -12.203 737 HA GLN 101 HA GLN 101 -9.836 -1.822 -14.248 738 HB2 GLN 101 1HB GLN 101 -11.750 -3.830 -13.046 739 HB3 GLN 101 2HB GLN 101 -11.592 -3.470 -14.760 740 HG2 GLN 101 1HG GLN 101 -9.174 -4.334 -13.265 741 HG3 GLN 101 2HG GLN 101 -10.395 -5.538 -13.672 742 HE21 GLN 101 1HE2 GLN 101 -8.460 -2.948 -15.108 743 HE22 GLN 101 2HE2 GLN 101 -8.249 -3.716 -16.641 744 H LEU 102 H LEU 102 -10.492 0.223 -12.543 745 HA LEU 102 HA LEU 102 -13.349 0.620 -12.514 746 HB2 LEU 102 1HB LEU 102 -10.962 2.119 -11.584 747 HB3 LEU 102 2HB LEU 102 -12.434 3.037 -11.894 748 HG LEU 102 HG LEU 102 -12.410 0.650 -10.069 749 HD11 LEU 102 1HD1 LEU 102 -12.438 3.140 -8.655 750 HD12 LEU 102 2HD1 LEU 102 -10.980 3.025 -9.638 751 HD13 LEU 102 3HD1 LEU 102 -11.355 1.761 -8.468 752 HD21 LEU 102 1HD2 LEU 102 -14.382 1.768 -9.130 753 HD22 LEU 102 2HD2 LEU 102 -14.584 1.408 -10.845 754 HD23 LEU 102 3HD2 LEU 102 -14.215 3.053 -10.327 755 H ASP 103 H ASP 103 -10.595 2.185 -14.144 756 HA ASP 103 HA ASP 103 -12.419 2.921 -16.327 757 HB2 ASP 103 1HB ASP 103 -11.158 5.082 -16.542 758 HB3 ASP 103 2HB ASP 103 -12.132 4.951 -15.080 759 H SER 104 H SER 104 -11.137 3.627 -18.311 760 HA SER 104 HA SER 104 -9.380 1.517 -19.027 761 HB2 SER 104 1HB SER 104 -10.736 2.441 -20.756 762 HB3 SER 104 2HB SER 104 -10.172 4.078 -20.419 763 HG SER 104 HG SER 104 -9.223 2.743 -22.266 764 H GLY 105 H GLY 105 -8.885 4.945 -18.282 765 HA2 GLY 105 1HA GLY 105 -6.999 6.073 -17.606 766 HA3 GLY 105 2HA GLY 105 -6.266 4.507 -17.290 767 HA PRO 106 HA PRO 106 -5.341 5.711 -21.909 768 HB2 PRO 106 1HB PRO 106 -5.613 8.352 -22.478 769 HB3 PRO 106 2HB PRO 106 -6.920 7.182 -22.698 770 HG2 PRO 106 1HG PRO 106 -6.451 9.098 -20.446 771 HG3 PRO 106 2HG PRO 106 -7.966 8.696 -21.276 772 HD2 PRO 106 1HD PRO 106 -7.300 7.644 -18.872 773 HD3 PRO 106 2HD PRO 106 -8.258 6.753 -20.072 774 H SER 107 H SER 107 -3.436 6.745 -22.832 775 HA SER 107 HA SER 107 -1.470 7.315 -20.793 776 HB2 SER 107 1HB SER 107 -1.076 5.852 -22.843 777 HB3 SER 107 2HB SER 107 -1.027 7.345 -23.780 778 HG SER 107 HG SER 107 1.004 7.327 -23.227 779 H SER 108 H SER 108 -0.636 9.246 -20.276 780 HA SER 108 HA SER 108 -1.902 11.623 -21.179 781 HB2 SER 108 1HB SER 108 -0.790 11.157 -18.895 782 HB3 SER 108 2HB SER 108 0.724 11.564 -19.703 783 HG SER 108 HG SER 108 -0.911 13.242 -18.627 784 H GLY 109 H GLY 109 1.440 10.428 -21.558 785 HA2 GLY 109 1HA GLY 109 2.829 10.623 -23.411 786 HA3 GLY 109 2HA GLY 109 1.570 11.544 -24.222 Start of MODEL 7 1 H1 GLY 1 H GLY 1 5.121 18.292 15.978 2 HA2 GLY 1 1HA GLY 1 5.470 15.772 14.966 3 HA3 GLY 1 2HA GLY 1 5.337 16.793 13.542 4 H SER 2 H SER 2 7.396 15.603 15.945 5 HA SER 2 HA SER 2 9.327 17.357 16.494 6 HB2 SER 2 1HB SER 2 9.807 14.583 15.380 7 HB3 SER 2 2HB SER 2 11.005 15.541 16.249 8 HG SER 2 HG SER 2 9.977 14.125 17.671 9 H SER 3 H SER 3 11.186 18.229 15.532 10 HA SER 3 HA SER 3 10.868 18.857 12.736 11 HB2 SER 3 1HB SER 3 13.035 20.182 13.188 12 HB3 SER 3 2HB SER 3 11.572 20.693 14.031 13 HG SER 3 HG SER 3 13.234 18.812 15.265 14 H GLY 4 H GLY 4 12.677 18.695 11.197 15 HA2 GLY 4 1HA GLY 4 14.508 17.621 10.245 16 HA3 GLY 4 2HA GLY 4 14.719 16.715 11.736 17 H SER 5 H SER 5 14.717 15.843 8.903 18 HA SER 5 HA SER 5 12.326 14.202 8.698 19 HB2 SER 5 1HB SER 5 13.246 13.517 6.519 20 HB3 SER 5 2HB SER 5 13.207 15.273 6.670 21 HG SER 5 HG SER 5 15.386 15.300 6.962 22 H SER 6 H SER 6 12.455 12.669 10.292 23 HA SER 6 HA SER 6 14.868 11.061 10.550 24 HB2 SER 6 1HB SER 6 13.306 11.927 12.478 25 HB3 SER 6 2HB SER 6 12.345 10.505 12.072 26 HG SER 6 HG SER 6 13.777 9.310 13.028 27 H GLY 7 H GLY 7 15.139 9.463 9.136 28 HA2 GLY 7 1HA GLY 7 14.480 7.186 8.586 29 HA3 GLY 7 2HA GLY 7 12.814 7.743 8.544 30 HA PRO 8 HA PRO 8 14.730 7.687 4.238 31 HB2 PRO 8 1HB PRO 8 13.083 5.803 3.185 32 HB3 PRO 8 2HB PRO 8 14.611 5.407 3.981 33 HG2 PRO 8 1HG PRO 8 11.825 5.297 5.069 34 HG3 PRO 8 2HG PRO 8 13.147 4.130 5.258 35 HD2 PRO 8 1HD PRO 8 12.497 5.918 7.184 36 HD3 PRO 8 2HD PRO 8 14.161 5.357 6.925 37 HA PRO 9 HA PRO 9 11.591 10.219 2.487 38 HB2 PRO 9 1HB PRO 9 11.715 9.605 -0.155 39 HB3 PRO 9 2HB PRO 9 12.969 10.534 0.675 40 HG2 PRO 9 1HG PRO 9 12.921 7.625 -0.032 41 HG3 PRO 9 2HG PRO 9 14.251 8.789 -0.174 42 HD2 PRO 9 1HD PRO 9 14.076 7.019 1.868 43 HD3 PRO 9 2HD PRO 9 14.795 8.631 2.061 44 H ALA 10 H ALA 10 9.434 10.227 2.047 45 HA ALA 10 HA ALA 10 7.915 7.910 2.415 46 HB1 ALA 10 1HB ALA 10 7.311 10.678 1.496 47 HB2 ALA 10 2HB ALA 10 6.074 9.432 1.325 48 HB3 ALA 10 3HB ALA 10 6.733 9.808 2.917 49 H VAL 11 H VAL 11 7.780 6.221 1.101 50 HA VAL 11 HA VAL 11 8.651 5.830 -1.398 51 HB VAL 11 HB VAL 11 5.968 4.771 -0.506 52 HG11 VAL 11 1HG1 VAL 11 6.244 4.146 -2.730 53 HG12 VAL 11 2HG1 VAL 11 7.986 3.921 -2.552 54 HG13 VAL 11 3HG1 VAL 11 6.868 2.757 -1.839 55 HG21 VAL 11 1HG2 VAL 11 8.578 4.399 0.643 56 HG22 VAL 11 2HG2 VAL 11 7.018 3.782 1.188 57 HG23 VAL 11 3HG2 VAL 11 7.962 2.874 0.007 58 H SER 12 H SER 12 8.121 6.295 -3.470 59 HA SER 12 HA SER 12 5.606 7.718 -3.986 60 HB2 SER 12 1HB SER 12 7.051 9.171 -5.604 61 HB3 SER 12 2HB SER 12 7.027 9.566 -3.886 62 HG SER 12 HG SER 12 8.981 7.863 -5.016 63 H ASP 13 H ASP 13 5.500 8.101 -6.520 64 HA ASP 13 HA ASP 13 4.979 7.006 -8.460 65 HB2 ASP 13 1HB ASP 13 7.887 6.480 -7.983 66 HB3 ASP 13 2HB ASP 13 7.092 5.720 -9.359 67 H ILE 14 H ILE 14 3.764 5.647 -6.569 68 HA ILE 14 HA ILE 14 4.578 2.865 -6.564 69 HB ILE 14 HB ILE 14 2.163 4.218 -5.358 70 HG12 ILE 14 1HG1 ILE 14 4.356 2.965 -3.769 71 HG13 ILE 14 2HG1 ILE 14 4.658 4.534 -4.508 72 HG21 ILE 14 1HG2 ILE 14 2.526 1.807 -4.069 73 HG22 ILE 14 2HG2 ILE 14 1.285 2.171 -5.266 74 HG23 ILE 14 3HG2 ILE 14 2.797 1.413 -5.766 75 HD11 ILE 14 1HD1 ILE 14 2.393 3.900 -2.633 76 HD12 ILE 14 2HD1 ILE 14 3.888 4.729 -2.200 77 HD13 ILE 14 3HD1 ILE 14 2.762 5.476 -3.333 78 H ARG 15 H ARG 15 4.291 1.924 -8.516 79 HA ARG 15 HA ARG 15 1.903 2.411 -10.076 80 HB2 ARG 15 1HB ARG 15 4.280 0.597 -10.512 81 HB3 ARG 15 2HB ARG 15 2.940 0.742 -11.641 82 HG2 ARG 15 1HG ARG 15 4.447 3.174 -10.783 83 HG3 ARG 15 2HG ARG 15 5.099 2.112 -12.032 84 HD2 ARG 15 1HD ARG 15 2.363 3.378 -12.098 85 HD3 ARG 15 2HD ARG 15 3.781 4.004 -12.938 86 HE ARG 15 HE ARG 15 3.166 1.269 -13.578 87 HH11 ARG 15 2HH1 ARG 15 2.529 4.605 -14.342 88 HH12 ARG 15 1HH1 ARG 15 2.020 4.272 -15.964 89 HH21 ARG 15 2HH2 ARG 15 2.497 0.818 -15.711 90 HH22 ARG 15 1HH2 ARG 15 2.001 2.117 -16.742 91 H VAL 16 H VAL 16 0.514 0.673 -10.825 92 HA VAL 16 HA VAL 16 0.321 -1.561 -8.912 93 HB VAL 16 HB VAL 16 -1.913 0.139 -10.013 94 HG11 VAL 16 1HG1 VAL 16 -2.126 -2.458 -8.492 95 HG12 VAL 16 2HG1 VAL 16 -3.470 -1.401 -8.929 96 HG13 VAL 16 3HG1 VAL 16 -2.542 -2.215 -10.189 97 HG21 VAL 16 1HG2 VAL 16 -0.582 -0.182 -7.405 98 HG22 VAL 16 2HG2 VAL 16 -1.407 1.215 -8.094 99 HG23 VAL 16 3HG2 VAL 16 -2.342 -0.086 -7.358 100 H THR 17 H THR 17 0.984 -3.259 -10.090 101 HA THR 17 HA THR 17 -0.101 -3.591 -12.805 102 HB THR 17 HB THR 17 2.365 -3.602 -12.636 103 HG1 THR 17 1HG THR 17 1.294 -6.164 -13.288 104 HG21 THR 17 1HG2 THR 17 3.575 -5.136 -11.386 105 HG22 THR 17 2HG2 THR 17 2.215 -6.249 -11.247 106 HG23 THR 17 3HG2 THR 17 2.234 -4.758 -10.307 107 H ARG 18 H ARG 18 -0.576 -5.852 -13.463 108 HA ARG 18 HA ARG 18 -1.928 -7.674 -13.233 109 HB2 ARG 18 1HB ARG 18 0.326 -8.235 -11.982 110 HB3 ARG 18 2HB ARG 18 -0.707 -8.220 -10.560 111 HG2 ARG 18 1HG ARG 18 -1.435 -9.847 -12.962 112 HG3 ARG 18 2HG ARG 18 -0.284 -10.449 -11.767 113 HD2 ARG 18 1HD ARG 18 -2.237 -11.290 -10.917 114 HD3 ARG 18 2HD ARG 18 -2.165 -9.742 -10.076 115 HE ARG 18 HE ARG 18 -4.073 -9.136 -11.161 116 HH11 ARG 18 2HH1 ARG 18 -2.545 -11.694 -12.960 117 HH12 ARG 18 1HH1 ARG 18 -3.834 -11.833 -14.109 118 HH21 ARG 18 2HH2 ARG 18 -5.776 -9.309 -12.668 119 HH22 ARG 18 1HH2 ARG 18 -5.671 -10.475 -13.942 120 H SER 19 H SER 19 -3.353 -5.527 -12.608 121 HA SER 19 HA SER 19 -4.447 -5.498 -9.989 122 HB2 SER 19 1HB SER 19 -6.222 -4.071 -11.008 123 HB3 SER 19 2HB SER 19 -4.590 -3.522 -11.390 124 HG SER 19 HG SER 19 -6.328 -3.793 -13.139 125 H SER 20 H SER 20 -6.376 -6.317 -9.205 126 HA SER 20 HA SER 20 -7.854 -8.177 -10.926 127 HB2 SER 20 1HB SER 20 -6.411 -8.818 -8.392 128 HB3 SER 20 2HB SER 20 -7.946 -9.628 -8.706 129 HG SER 20 HG SER 20 -5.853 -10.587 -9.527 130 HA PRO 21 HA PRO 21 -11.477 -6.503 -9.107 131 HB2 PRO 21 1HB PRO 21 -13.114 -8.667 -9.009 132 HB3 PRO 21 2HB PRO 21 -12.686 -7.855 -10.519 133 HG2 PRO 21 1HG PRO 21 -11.544 -10.349 -9.321 134 HG3 PRO 21 2HG PRO 21 -11.979 -10.016 -11.007 135 HD2 PRO 21 1HD PRO 21 -9.426 -9.906 -10.112 136 HD3 PRO 21 2HD PRO 21 -10.027 -8.859 -11.413 137 H SER 22 H SER 22 -10.710 -9.692 -7.698 138 HA SER 22 HA SER 22 -11.809 -8.853 -5.138 139 HB2 SER 22 1HB SER 22 -11.447 -11.169 -4.444 140 HB3 SER 22 2HB SER 22 -12.284 -11.126 -5.996 141 HG SER 22 HG SER 22 -10.145 -11.402 -6.952 142 H SER 23 H SER 23 -8.751 -9.217 -6.700 143 HA SER 23 HA SER 23 -7.399 -8.580 -4.160 144 HB2 SER 23 1HB SER 23 -6.249 -10.169 -6.467 145 HB3 SER 23 2HB SER 23 -5.435 -9.799 -4.947 146 HG SER 23 HG SER 23 -6.308 -11.866 -4.840 147 H LEU 24 H LEU 24 -5.444 -7.289 -4.368 148 HA LEU 24 HA LEU 24 -5.181 -5.779 -6.855 149 HB2 LEU 24 1HB LEU 24 -5.418 -4.399 -4.192 150 HB3 LEU 24 2HB LEU 24 -5.315 -3.652 -5.786 151 HG LEU 24 HG LEU 24 -7.644 -5.334 -4.871 152 HD11 LEU 24 1HD1 LEU 24 -8.834 -3.237 -4.530 153 HD12 LEU 24 2HD1 LEU 24 -7.367 -2.331 -4.899 154 HD13 LEU 24 3HD1 LEU 24 -7.436 -3.350 -3.461 155 HD21 LEU 24 1HD2 LEU 24 -7.638 -3.307 -7.073 156 HD22 LEU 24 2HD2 LEU 24 -8.721 -4.675 -6.814 157 HD23 LEU 24 3HD2 LEU 24 -7.068 -4.950 -7.365 158 H SER 25 H SER 25 -3.120 -6.075 -7.378 159 HA SER 25 HA SER 25 -1.090 -6.566 -5.409 160 HB2 SER 25 1HB SER 25 -1.202 -6.460 -8.390 161 HB3 SER 25 2HB SER 25 0.371 -6.284 -7.612 162 HG SER 25 HG SER 25 -0.180 -8.478 -8.099 163 H LEU 26 H LEU 26 1.053 -5.325 -5.645 164 HA LEU 26 HA LEU 26 0.808 -2.526 -6.303 165 HB2 LEU 26 1HB LEU 26 1.403 -3.294 -3.453 166 HB3 LEU 26 2HB LEU 26 1.261 -1.666 -4.113 167 HG LEU 26 HG LEU 26 -1.037 -3.612 -3.986 168 HD11 LEU 26 1HD1 LEU 26 -0.188 -1.493 -2.022 169 HD12 LEU 26 2HD1 LEU 26 -0.367 -3.223 -1.728 170 HD13 LEU 26 3HD1 LEU 26 -1.789 -2.232 -2.050 171 HD21 LEU 26 1HD2 LEU 26 -2.342 -1.950 -4.794 172 HD22 LEU 26 2HD2 LEU 26 -0.822 -1.425 -5.517 173 HD23 LEU 26 3HD2 LEU 26 -1.394 -0.678 -4.024 174 H ALA 27 H ALA 27 2.846 -1.383 -6.142 175 HA ALA 27 HA ALA 27 5.254 -2.695 -5.407 176 HB1 ALA 27 1HB ALA 27 4.264 -3.241 -8.041 177 HB2 ALA 27 2HB ALA 27 5.783 -2.350 -8.141 178 HB3 ALA 27 3HB ALA 27 5.707 -3.863 -7.238 179 H TRP 28 H TRP 28 6.725 -1.180 -4.966 180 HA TRP 28 HA TRP 28 6.332 1.497 -6.133 181 HB2 TRP 28 1HB TRP 28 7.826 2.060 -3.991 182 HB3 TRP 28 2HB TRP 28 6.070 1.943 -3.907 183 HD1 TRP 28 HD TRP 28 9.007 0.784 -2.128 184 HE1 TRP 28 1HE TRP 28 8.482 -1.269 -0.666 185 HE3 TRP 28 3HE TRP 28 4.492 -0.515 -4.144 186 HZ2 TRP 28 2HZ TRP 28 6.426 -3.185 -0.403 187 HZ3 TRP 28 3HZ TRP 28 3.312 -2.471 -3.231 188 HH2 TRP 28 HH TRP 28 4.261 -3.778 -1.399 189 H ALA 29 H ALA 29 8.410 2.823 -6.150 190 HA ALA 29 HA ALA 29 10.496 1.187 -7.393 191 HB1 ALA 29 1HB ALA 29 9.324 3.654 -8.062 192 HB2 ALA 29 2HB ALA 29 10.997 3.996 -7.617 193 HB3 ALA 29 3HB ALA 29 10.644 2.822 -8.885 194 H VAL 30 H VAL 30 12.177 0.627 -6.188 195 HA VAL 30 HA VAL 30 12.813 1.245 -3.659 196 HB VAL 30 HB VAL 30 14.882 0.963 -5.842 197 HG11 VAL 30 1HG1 VAL 30 15.050 1.209 -2.947 198 HG12 VAL 30 2HG1 VAL 30 15.844 -0.242 -3.563 199 HG13 VAL 30 3HG1 VAL 30 16.312 1.346 -4.170 200 HG21 VAL 30 1HG2 VAL 30 14.272 -1.379 -4.219 201 HG22 VAL 30 2HG2 VAL 30 12.905 -0.832 -5.189 202 HG23 VAL 30 3HG2 VAL 30 14.437 -1.226 -5.968 203 HA PRO 31 HA PRO 31 13.448 5.710 -4.102 204 HB2 PRO 31 1HB PRO 31 13.106 6.230 -1.460 205 HB3 PRO 31 2HB PRO 31 11.755 6.013 -2.579 206 HG2 PRO 31 1HG PRO 31 12.957 4.057 -0.657 207 HG3 PRO 31 2HG PRO 31 11.248 4.375 -1.008 208 HD2 PRO 31 1HD PRO 31 12.582 2.265 -2.057 209 HD3 PRO 31 2HD PRO 31 11.272 3.094 -2.923 210 H ARG 32 H ARG 32 15.265 6.906 -3.819 211 HA ARG 32 HA ARG 32 17.634 5.605 -2.914 212 HB2 ARG 32 1HB ARG 32 18.738 7.756 -3.421 213 HB3 ARG 32 2HB ARG 32 17.730 7.192 -4.747 214 HG2 ARG 32 1HG ARG 32 15.923 8.722 -3.693 215 HG3 ARG 32 2HG ARG 32 17.295 9.483 -2.884 216 HD2 ARG 32 1HD ARG 32 18.325 9.990 -4.997 217 HD3 ARG 32 2HD ARG 32 17.089 9.079 -5.864 218 HE ARG 32 HE ARG 32 16.022 11.222 -4.283 219 HH11 ARG 32 2HH1 ARG 32 17.448 10.375 -7.344 220 HH12 ARG 32 1HH1 ARG 32 16.740 11.710 -8.191 221 HH21 ARG 32 2HH2 ARG 32 15.084 12.984 -5.387 222 HH22 ARG 32 1HH2 ARG 32 15.396 13.194 -7.077 223 H ALA 33 H ALA 33 18.152 5.334 -0.853 224 HA ALA 33 HA ALA 33 17.373 7.413 1.085 225 HB1 ALA 33 1HB ALA 33 17.219 4.515 1.155 226 HB2 ALA 33 2HB ALA 33 18.055 5.179 2.560 227 HB3 ALA 33 3HB ALA 33 16.421 5.716 2.172 228 HA PRO 34 HA PRO 34 21.596 8.303 1.907 229 HB2 PRO 34 1HB PRO 34 21.453 9.027 4.519 230 HB3 PRO 34 2HB PRO 34 20.841 10.040 3.207 231 HG2 PRO 34 1HG PRO 34 19.346 8.198 5.032 232 HG3 PRO 34 2HG PRO 34 18.913 9.829 4.489 233 HD2 PRO 34 1HD PRO 34 17.842 7.597 3.393 234 HD3 PRO 34 2HD PRO 34 18.122 9.079 2.458 235 H SER 35 H SER 35 20.011 5.674 3.263 236 HA SER 35 HA SER 35 22.422 4.767 4.683 237 HB2 SER 35 1HB SER 35 20.904 3.085 5.739 238 HB3 SER 35 2HB SER 35 20.460 4.753 6.100 239 HG SER 35 HG SER 35 18.580 4.232 5.339 240 H GLY 36 H GLY 36 22.745 2.325 4.573 241 HA2 GLY 36 1HA GLY 36 23.520 1.504 2.103 242 HA3 GLY 36 2HA GLY 36 23.027 0.380 3.361 243 H ALA 37 H ALA 37 20.627 0.018 3.536 244 HA ALA 37 HA ALA 37 19.283 0.255 0.935 245 HB1 ALA 37 1HB ALA 37 18.710 -2.004 0.822 246 HB2 ALA 37 2HB ALA 37 20.400 -2.021 1.326 247 HB3 ALA 37 3HB ALA 37 19.123 -2.290 2.512 248 H VAL 38 H VAL 38 16.912 -0.662 1.253 249 HA VAL 38 HA VAL 38 15.809 0.841 3.506 250 HB VAL 38 HB VAL 38 14.474 -0.282 1.040 251 HG11 VAL 38 1HG1 VAL 38 13.030 -0.236 3.093 252 HG12 VAL 38 2HG1 VAL 38 13.245 1.516 3.120 253 HG13 VAL 38 3HG1 VAL 38 12.449 0.745 1.748 254 HG21 VAL 38 1HG2 VAL 38 14.845 2.604 1.798 255 HG22 VAL 38 2HG2 VAL 38 16.020 1.721 0.823 256 HG23 VAL 38 3HG2 VAL 38 14.371 1.934 0.237 257 H LEU 39 H LEU 39 14.866 -0.098 5.205 258 HA LEU 39 HA LEU 39 14.965 -2.929 5.523 259 HB2 LEU 39 1HB LEU 39 13.654 -0.815 7.225 260 HB3 LEU 39 2HB LEU 39 13.895 -2.496 7.697 261 HG LEU 39 HG LEU 39 16.193 -0.678 7.023 262 HD11 LEU 39 1HD1 LEU 39 14.706 0.204 8.891 263 HD12 LEU 39 2HD1 LEU 39 16.411 -0.040 9.268 264 HD13 LEU 39 3HD1 LEU 39 15.212 -1.215 9.809 265 HD21 LEU 39 1HD2 LEU 39 15.856 -3.350 8.330 266 HD22 LEU 39 2HD2 LEU 39 17.267 -2.349 8.676 267 HD23 LEU 39 3HD2 LEU 39 16.941 -2.875 7.024 268 H ASP 40 H ASP 40 12.780 -3.785 6.755 269 HA ASP 40 HA ASP 40 11.022 -4.567 4.837 270 HB2 ASP 40 1HB ASP 40 9.317 -4.722 6.791 271 HB3 ASP 40 2HB ASP 40 10.798 -5.671 6.879 272 H TYR 41 H TYR 41 8.758 -3.993 4.431 273 HA TYR 41 HA TYR 41 8.376 -1.073 4.507 274 HB2 TYR 41 1HB TYR 41 7.430 -3.102 2.475 275 HB3 TYR 41 2HB TYR 41 6.940 -1.411 2.482 276 HD1 TYR 41 1HD TYR 41 9.881 -3.651 2.167 277 HD2 TYR 41 2HD TYR 41 8.300 0.243 1.502 278 HE1 TYR 41 1HE TYR 41 11.869 -3.078 0.837 279 HE2 TYR 41 2HE TYR 41 10.284 0.826 0.169 280 HH TYR 41 HH TYR 41 12.757 -1.571 -0.591 281 H GLU 42 H GLU 42 5.986 -0.459 4.306 282 HA GLU 42 HA GLU 42 4.257 -2.310 5.783 283 HB2 GLU 42 1HB GLU 42 5.468 -0.426 7.192 284 HB3 GLU 42 2HB GLU 42 4.188 0.580 6.529 285 HG2 GLU 42 1HG GLU 42 2.508 -0.667 7.583 286 HG3 GLU 42 2HG GLU 42 3.602 -2.005 7.929 287 H VAL 43 H VAL 43 2.341 -2.502 4.839 288 HA VAL 43 HA VAL 43 1.465 -0.369 3.004 289 HB VAL 43 HB VAL 43 0.765 -3.308 2.945 290 HG11 VAL 43 1HG1 VAL 43 -0.211 -2.673 0.698 291 HG12 VAL 43 2HG1 VAL 43 -1.106 -2.124 2.116 292 HG13 VAL 43 3HG1 VAL 43 -0.088 -0.994 1.223 293 HG21 VAL 43 1HG2 VAL 43 3.102 -2.688 2.266 294 HG22 VAL 43 2HG2 VAL 43 2.146 -3.479 1.013 295 HG23 VAL 43 3HG2 VAL 43 2.396 -1.734 0.961 296 H LYS 44 H LYS 44 -0.218 0.782 3.654 297 HA LYS 44 HA LYS 44 -2.181 -0.479 5.455 298 HB2 LYS 44 1HB LYS 44 -0.995 1.152 6.734 299 HB3 LYS 44 2HB LYS 44 -1.112 2.343 5.444 300 HG2 LYS 44 1HG LYS 44 -3.669 2.111 5.806 301 HG3 LYS 44 2HG LYS 44 -3.205 1.423 7.364 302 HD2 LYS 44 1HD LYS 44 -1.945 3.983 6.522 303 HD3 LYS 44 2HD LYS 44 -3.626 4.017 7.060 304 HE2 LYS 44 1HE LYS 44 -1.635 2.550 8.715 305 HE3 LYS 44 2HE LYS 44 -1.619 4.312 8.755 306 HZ1 LYS 44 1HZ LYS 44 -4.255 3.217 9.006 307 HZ2 LYS 44 2HZ LYS 44 -3.464 4.355 9.974 308 HZ3 LYS 44 3HZ LYS 44 -3.223 2.703 10.244 309 H TYR 45 H TYR 45 -3.984 -0.857 4.350 310 HA TYR 45 HA TYR 45 -4.933 1.214 2.480 311 HB2 TYR 45 1HB TYR 45 -6.013 -0.607 1.192 312 HB3 TYR 45 2HB TYR 45 -4.260 -0.761 1.237 313 HD1 TYR 45 2HD TYR 45 -3.285 -2.355 3.031 314 HD2 TYR 45 1HD TYR 45 -7.353 -2.415 1.785 315 HE1 TYR 45 2HE TYR 45 -3.505 -4.653 3.879 316 HE2 TYR 45 1HE TYR 45 -7.584 -4.713 2.631 317 HH TYR 45 HH TYR 45 -5.423 -6.134 4.705 318 H HIS 46 H HIS 46 -7.022 1.868 2.640 319 HA HIS 46 HA HIS 46 -8.916 0.395 4.266 320 HB2 HIS 46 1HB HIS 46 -9.215 1.940 5.966 321 HB3 HIS 46 2HB HIS 46 -7.472 2.021 5.729 322 HD1 HIS 46 1HD HIS 46 -6.722 4.062 4.031 323 HD2 HIS 46 2HD HIS 46 -10.431 4.355 5.880 324 HE1 HIS 46 1HE HIS 46 -7.360 6.490 3.879 325 HE2 HIS 46 2HE HIS 46 -9.568 6.658 5.079 326 H GLU 47 H GLU 47 -11.037 0.858 3.781 327 HA GLU 47 HA GLU 47 -11.693 1.789 1.279 328 HB2 GLU 47 1HB GLU 47 -13.102 0.555 3.140 329 HB3 GLU 47 2HB GLU 47 -13.655 2.185 3.497 330 HG2 GLU 47 1HG GLU 47 -14.256 2.380 1.053 331 HG3 GLU 47 2HG GLU 47 -13.966 0.645 0.939 332 H LYS 48 H LYS 48 -12.844 3.696 0.575 333 HA LYS 48 HA LYS 48 -11.566 6.088 1.315 334 HB2 LYS 48 1HB LYS 48 -12.498 5.794 -0.905 335 HB3 LYS 48 2HB LYS 48 -14.118 5.631 -0.240 336 HG2 LYS 48 1HG LYS 48 -14.327 7.875 0.172 337 HG3 LYS 48 2HG LYS 48 -12.584 8.123 0.307 338 HD2 LYS 48 1HD LYS 48 -12.430 7.656 -2.158 339 HD3 LYS 48 2HD LYS 48 -14.194 7.692 -2.204 340 HE2 LYS 48 1HE LYS 48 -14.252 9.969 -1.550 341 HE3 LYS 48 2HE LYS 48 -12.543 9.961 -1.118 342 HZ1 LYS 48 1HZ LYS 48 -11.915 9.870 -3.363 343 HZ2 LYS 48 2HZ LYS 48 -13.141 11.033 -3.301 344 HZ3 LYS 48 3HZ LYS 48 -13.477 9.482 -3.886 345 H GLY 49 H GLY 49 -15.006 5.209 1.736 346 HA2 GLY 49 1HA GLY 49 -15.339 7.327 3.688 347 HA3 GLY 49 2HA GLY 49 -16.588 6.239 3.102 348 H ALA 50 H ALA 50 -13.542 6.017 4.947 349 HA ALA 50 HA ALA 50 -14.986 4.401 6.938 350 HB1 ALA 50 1HB ALA 50 -12.531 3.723 5.432 351 HB2 ALA 50 2HB ALA 50 -12.565 3.299 7.144 352 HB3 ALA 50 3HB ALA 50 -13.807 2.677 6.057 353 H GLU 51 H GLU 51 -15.144 5.961 8.488 354 HA GLU 51 HA GLU 51 -12.683 7.328 9.322 355 HB2 GLU 51 1HB GLU 51 -14.791 8.639 8.769 356 HB3 GLU 51 2HB GLU 51 -15.489 7.955 10.230 357 HG2 GLU 51 1HG GLU 51 -13.421 8.914 11.415 358 HG3 GLU 51 2HG GLU 51 -13.218 9.882 9.956 359 H GLY 52 H GLY 52 -12.975 4.605 9.979 360 HA2 GLY 52 1HA GLY 52 -13.269 4.805 12.911 361 HA3 GLY 52 2HA GLY 52 -13.863 3.413 12.018 362 HA PRO 53 HA PRO 53 -9.241 3.112 13.276 363 HB2 PRO 53 1HB PRO 53 -9.470 1.764 15.621 364 HB3 PRO 53 2HB PRO 53 -9.407 3.528 15.529 365 HG2 PRO 53 1HG PRO 53 -11.782 1.730 15.819 366 HG3 PRO 53 2HG PRO 53 -11.423 3.252 16.654 367 HD2 PRO 53 1HD PRO 53 -13.133 3.108 14.559 368 HD3 PRO 53 2HD PRO 53 -12.132 4.540 14.879 369 H SER 54 H SER 54 -11.812 0.775 14.084 370 HA SER 54 HA SER 54 -10.173 -1.460 13.285 371 HB2 SER 54 1HB SER 54 -12.170 -2.815 13.829 372 HB3 SER 54 2HB SER 54 -11.742 -1.719 15.142 373 HG SER 54 HG SER 54 -13.830 -1.439 13.248 374 H SER 55 H SER 55 -10.314 0.207 11.157 375 HA SER 55 HA SER 55 -12.025 -1.291 9.288 376 HB2 SER 55 1HB SER 55 -11.539 1.694 9.338 377 HB3 SER 55 2HB SER 55 -12.277 0.843 7.981 378 HG SER 55 HG SER 55 -13.268 1.212 10.596 379 H VAL 56 H VAL 56 -9.128 0.689 9.719 380 HA VAL 56 HA VAL 56 -8.059 0.009 7.135 381 HB VAL 56 HB VAL 56 -7.502 2.159 8.143 382 HG11 VAL 56 1HG1 VAL 56 -6.073 2.326 10.097 383 HG12 VAL 56 2HG1 VAL 56 -7.545 1.436 10.494 384 HG13 VAL 56 3HG1 VAL 56 -6.029 0.569 10.241 385 HG21 VAL 56 1HG2 VAL 56 -4.937 0.620 8.137 386 HG22 VAL 56 2HG2 VAL 56 -5.885 0.775 6.658 387 HG23 VAL 56 3HG2 VAL 56 -5.283 2.217 7.475 388 H ARG 57 H ARG 57 -6.428 -1.419 6.657 389 HA ARG 57 HA ARG 57 -5.771 -3.352 8.778 390 HB2 ARG 57 1HB ARG 57 -6.177 -3.637 5.822 391 HB3 ARG 57 2HB ARG 57 -5.169 -4.794 6.682 392 HG2 ARG 57 1HG ARG 57 -7.933 -4.179 7.641 393 HG3 ARG 57 2HG ARG 57 -7.664 -5.323 6.325 394 HD2 ARG 57 1HD ARG 57 -6.050 -6.517 7.849 395 HD3 ARG 57 2HD ARG 57 -6.635 -5.480 9.149 396 HE ARG 57 HE ARG 57 -8.739 -6.853 7.767 397 HH11 ARG 57 2HH1 ARG 57 -6.351 -7.106 10.288 398 HH12 ARG 57 1HH1 ARG 57 -7.216 -8.325 11.165 399 HH21 ARG 57 2HH2 ARG 57 -9.887 -8.457 8.912 400 HH22 ARG 57 1HH2 ARG 57 -9.227 -9.093 10.381 401 H PHE 58 H PHE 58 -3.627 -4.506 8.365 402 HA PHE 58 HA PHE 58 -1.607 -2.656 7.304 403 HB2 PHE 58 1HB PHE 58 -1.810 -3.775 10.063 404 HB3 PHE 58 2HB PHE 58 -0.208 -3.592 9.356 405 HD1 PHE 58 2HD PHE 58 -3.347 -1.578 9.573 406 HD2 PHE 58 1HD PHE 58 0.893 -1.675 9.933 407 HE1 PHE 58 2HE PHE 58 -3.349 0.802 10.198 408 HE2 PHE 58 1HE PHE 58 0.897 0.704 10.560 409 HZ PHE 58 HZ PHE 58 -1.225 1.946 10.692 410 H LEU 59 H LEU 59 0.198 -3.606 6.401 411 HA LEU 59 HA LEU 59 0.471 -6.507 6.509 412 HB2 LEU 59 1HB LEU 59 -0.916 -6.373 4.627 413 HB3 LEU 59 2HB LEU 59 -0.113 -4.921 4.032 414 HG LEU 59 HG LEU 59 1.940 -6.568 3.806 415 HD11 LEU 59 1HD1 LEU 59 1.532 -8.759 3.860 416 HD12 LEU 59 2HD1 LEU 59 0.024 -8.590 2.963 417 HD13 LEU 59 3HD1 LEU 59 0.043 -8.341 4.709 418 HD21 LEU 59 1HD2 LEU 59 -0.312 -6.703 1.814 419 HD22 LEU 59 2HD2 LEU 59 1.423 -6.798 1.506 420 HD23 LEU 59 3HD2 LEU 59 0.702 -5.275 2.029 421 H LYS 60 H LYS 60 2.523 -6.885 6.976 422 HA LYS 60 HA LYS 60 4.563 -4.942 6.171 423 HB2 LYS 60 1HB LYS 60 4.506 -7.130 8.240 424 HB3 LYS 60 2HB LYS 60 6.005 -6.344 7.762 425 HG2 LYS 60 1HG LYS 60 5.427 -4.344 8.729 426 HG3 LYS 60 2HG LYS 60 3.695 -4.668 8.620 427 HD2 LYS 60 1HD LYS 60 3.709 -6.048 10.489 428 HD3 LYS 60 2HD LYS 60 5.445 -6.351 10.374 429 HE2 LYS 60 1HE LYS 60 5.731 -3.864 10.880 430 HE3 LYS 60 2HE LYS 60 4.032 -3.883 11.347 431 HZ1 LYS 60 1HZ LYS 60 6.104 -5.655 12.520 432 HZ2 LYS 60 2HZ LYS 60 4.499 -5.497 13.029 433 HZ3 LYS 60 3HZ LYS 60 5.578 -4.209 13.223 434 H THR 61 H THR 61 5.995 -5.364 4.618 435 HA THR 61 HA THR 61 6.587 -8.135 3.898 436 HB THR 61 HB THR 61 4.858 -7.674 2.332 437 HG1 THR 61 1HG THR 61 6.908 -8.523 1.485 438 HG21 THR 61 1HG2 THR 61 6.117 -5.281 1.140 439 HG22 THR 61 2HG2 THR 61 5.354 -5.055 2.714 440 HG23 THR 61 3HG2 THR 61 4.412 -5.676 1.359 441 H SER 62 H SER 62 8.697 -8.423 3.587 442 HA SER 62 HA SER 62 10.517 -6.246 3.799 443 HB2 SER 62 1HB SER 62 12.266 -7.956 3.501 444 HB3 SER 62 2HB SER 62 11.060 -8.473 4.680 445 HG SER 62 HG SER 62 10.898 -9.196 1.952 446 H GLU 63 H GLU 63 8.799 -7.504 1.203 447 HA GLU 63 HA GLU 63 10.797 -6.672 -0.772 448 HB2 GLU 63 1HB GLU 63 8.397 -8.437 -0.838 449 HB3 GLU 63 2HB GLU 63 8.847 -7.605 -2.320 450 HG2 GLU 63 1HG GLU 63 10.767 -8.799 -2.579 451 HG3 GLU 63 2HG GLU 63 10.969 -9.062 -0.848 452 H ASN 64 H ASN 64 10.068 -5.369 -2.618 453 HA ASN 64 HA ASN 64 8.458 -3.142 -1.688 454 HB2 ASN 64 1HB ASN 64 9.321 -1.928 -3.547 455 HB3 ASN 64 2HB ASN 64 10.661 -2.878 -2.913 456 HD21 ASN 64 1HD2 ASN 64 10.556 -1.808 -5.500 457 HD22 ASN 64 2HD2 ASN 64 10.518 -3.117 -6.626 458 H ARG 65 H ARG 65 7.292 -5.813 -2.437 459 HA ARG 65 HA ARG 65 5.089 -4.755 -3.994 460 HB2 ARG 65 1HB ARG 65 5.137 -6.694 -5.576 461 HB3 ARG 65 2HB ARG 65 6.459 -5.554 -5.790 462 HG2 ARG 65 1HG ARG 65 7.845 -7.118 -4.351 463 HG3 ARG 65 2HG ARG 65 6.543 -8.290 -4.563 464 HD2 ARG 65 1HD ARG 65 7.971 -6.940 -6.846 465 HD3 ARG 65 2HD ARG 65 8.446 -8.504 -6.184 466 HE ARG 65 HE ARG 65 5.738 -8.642 -6.818 467 HH11 ARG 65 2HH1 ARG 65 8.791 -8.248 -8.443 468 HH12 ARG 65 1HH1 ARG 65 8.255 -8.995 -9.911 469 HH21 ARG 65 2HH2 ARG 65 5.019 -9.627 -8.745 470 HH22 ARG 65 1HH2 ARG 65 6.109 -9.778 -10.082 471 H ALA 66 H ALA 66 3.162 -5.850 -3.668 472 HA ALA 66 HA ALA 66 3.174 -8.302 -2.097 473 HB1 ALA 66 1HB ALA 66 2.044 -5.700 -1.107 474 HB2 ALA 66 2HB ALA 66 1.492 -7.260 -0.498 475 HB3 ALA 66 3HB ALA 66 3.179 -6.784 -0.302 476 H GLU 67 H GLU 67 0.838 -9.046 -1.719 477 HA GLU 67 HA GLU 67 -0.867 -8.266 -3.986 478 HB2 GLU 67 1HB GLU 67 0.229 -10.344 -4.593 479 HB3 GLU 67 2HB GLU 67 -0.245 -11.076 -3.066 480 HG2 GLU 67 1HG GLU 67 -2.498 -11.192 -3.690 481 HG3 GLU 67 2HG GLU 67 -2.273 -10.068 -5.028 482 H LEU 68 H LEU 68 -2.388 -7.161 -2.855 483 HA LEU 68 HA LEU 68 -3.435 -8.107 -0.355 484 HB2 LEU 68 1HB LEU 68 -4.450 -5.932 -2.178 485 HB3 LEU 68 2HB LEU 68 -4.959 -6.208 -0.514 486 HG LEU 68 HG LEU 68 -2.134 -5.494 -1.280 487 HD11 LEU 68 1HD1 LEU 68 -3.561 -3.683 -1.990 488 HD12 LEU 68 2HD1 LEU 68 -2.700 -3.214 -0.524 489 HD13 LEU 68 3HD1 LEU 68 -4.396 -3.689 -0.436 490 HD21 LEU 68 1HD2 LEU 68 -2.741 -6.633 0.947 491 HD22 LEU 68 2HD2 LEU 68 -3.479 -5.087 1.367 492 HD23 LEU 68 3HD2 LEU 68 -1.757 -5.170 0.993 493 H ARG 69 H ARG 69 -4.749 -9.801 -0.259 494 HA ARG 69 HA ARG 69 -6.584 -10.328 -2.481 495 HB2 ARG 69 1HB ARG 69 -5.687 -12.051 -0.167 496 HB3 ARG 69 2HB ARG 69 -6.894 -12.544 -1.347 497 HG2 ARG 69 1HG ARG 69 -5.329 -12.644 -3.080 498 HG3 ARG 69 2HG ARG 69 -4.143 -11.696 -2.180 499 HD2 ARG 69 1HD ARG 69 -5.086 -14.357 -1.173 500 HD3 ARG 69 2HD ARG 69 -3.804 -14.246 -2.378 501 HE ARG 69 HE ARG 69 -3.231 -12.550 -0.195 502 HH11 ARG 69 2HH1 ARG 69 -3.325 -15.915 -1.081 503 HH12 ARG 69 1HH1 ARG 69 -2.107 -16.384 0.059 504 HH21 ARG 69 2HH2 ARG 69 -1.627 -13.155 1.310 505 HH22 ARG 69 1HH2 ARG 69 -1.143 -14.813 1.419 506 H GLY 70 H GLY 70 -8.722 -11.410 -1.686 507 HA2 GLY 70 1HA GLY 70 -10.794 -10.974 -0.789 508 HA3 GLY 70 2HA GLY 70 -9.921 -10.876 0.734 509 H LEU 71 H LEU 71 -11.129 -9.030 -2.002 510 HA LEU 71 HA LEU 71 -11.403 -6.709 -0.264 511 HB2 LEU 71 1HB LEU 71 -10.009 -6.568 -2.933 512 HB3 LEU 71 2HB LEU 71 -10.408 -5.197 -1.901 513 HG LEU 71 HG LEU 71 -8.589 -7.384 -0.945 514 HD11 LEU 71 1HD1 LEU 71 -6.810 -5.560 -1.629 515 HD12 LEU 71 2HD1 LEU 71 -8.011 -5.191 -2.865 516 HD13 LEU 71 3HD1 LEU 71 -7.327 -6.813 -2.757 517 HD21 LEU 71 1HD2 LEU 71 -8.614 -6.142 0.892 518 HD22 LEU 71 2HD2 LEU 71 -9.625 -4.929 0.106 519 HD23 LEU 71 3HD2 LEU 71 -7.868 -4.830 -0.022 520 H LYS 72 H LYS 72 -12.375 -4.846 -1.846 521 HA LYS 72 HA LYS 72 -14.574 -6.131 -3.330 522 HB2 LYS 72 1HB LYS 72 -14.667 -3.669 -1.580 523 HB3 LYS 72 2HB LYS 72 -15.988 -4.200 -2.612 524 HG2 LYS 72 1HG LYS 72 -16.382 -6.110 -1.319 525 HG3 LYS 72 2HG LYS 72 -14.820 -5.987 -0.506 526 HD2 LYS 72 1HD LYS 72 -15.538 -4.342 0.918 527 HD3 LYS 72 2HD LYS 72 -16.739 -3.730 -0.221 528 HE2 LYS 72 1HE LYS 72 -16.928 -6.306 1.338 529 HE3 LYS 72 2HE LYS 72 -17.791 -4.814 1.705 530 HZ1 LYS 72 1HZ LYS 72 -19.344 -5.313 0.223 531 HZ2 LYS 72 2HZ LYS 72 -18.646 -6.847 0.069 532 HZ3 LYS 72 3HZ LYS 72 -18.205 -5.607 -0.994 533 H ARG 73 H ARG 73 -15.430 -4.968 -5.123 534 HA ARG 73 HA ARG 73 -13.421 -3.290 -6.421 535 HB2 ARG 73 1HB ARG 73 -15.906 -4.617 -7.519 536 HB3 ARG 73 2HB ARG 73 -14.763 -3.678 -8.470 537 HG2 ARG 73 1HG ARG 73 -14.023 -5.792 -8.899 538 HG3 ARG 73 2HG ARG 73 -13.032 -5.392 -7.495 539 HD2 ARG 73 1HD ARG 73 -13.971 -7.621 -7.269 540 HD3 ARG 73 2HD ARG 73 -14.637 -6.542 -6.044 541 HE ARG 73 HE ARG 73 -16.315 -6.607 -8.321 542 HH11 ARG 73 2HH1 ARG 73 -15.361 -8.508 -5.564 543 HH12 ARG 73 1HH1 ARG 73 -16.858 -9.377 -5.481 544 HH21 ARG 73 2HH2 ARG 73 -18.290 -7.744 -8.222 545 HH22 ARG 73 1HH2 ARG 73 -18.523 -8.942 -6.994 546 H GLY 74 H GLY 74 -13.906 -1.273 -7.344 547 HA2 GLY 74 1HA GLY 74 -15.094 0.693 -7.671 548 HA3 GLY 74 2HA GLY 74 -16.509 -0.084 -6.975 549 H ALA 75 H ALA 75 -15.366 -0.853 -4.502 550 HA ALA 75 HA ALA 75 -15.780 1.481 -2.994 551 HB1 ALA 75 1HB ALA 75 -15.499 -1.257 -2.474 552 HB2 ALA 75 2HB ALA 75 -14.254 -0.453 -1.518 553 HB3 ALA 75 3HB ALA 75 -15.945 0.015 -1.336 554 H SER 76 H SER 76 -14.395 3.115 -3.677 555 HA SER 76 HA SER 76 -11.798 3.207 -4.267 556 HB2 SER 76 1HB SER 76 -13.471 5.050 -2.609 557 HB3 SER 76 2HB SER 76 -11.743 5.371 -2.749 558 HG SER 76 HG SER 76 -13.340 6.273 -4.389 559 H TYR 77 H TYR 77 -9.931 2.569 -3.426 560 HA TYR 77 HA TYR 77 -9.768 2.169 -0.510 561 HB2 TYR 77 1HB TYR 77 -8.913 0.392 -2.762 562 HB3 TYR 77 2HB TYR 77 -8.007 0.360 -1.253 563 HD1 TYR 77 1HD TYR 77 -9.455 0.055 0.916 564 HD2 TYR 77 2HD TYR 77 -10.751 -0.996 -2.998 565 HE1 TYR 77 1HE TYR 77 -11.115 -1.479 1.885 566 HE2 TYR 77 2HE TYR 77 -12.416 -2.533 -2.040 567 HH TYR 77 HH TYR 77 -12.518 -3.865 0.369 568 H LEU 78 H LEU 78 -8.490 3.709 0.272 569 HA LEU 78 HA LEU 78 -6.413 4.926 -1.303 570 HB2 LEU 78 1HB LEU 78 -7.157 5.254 1.600 571 HB3 LEU 78 2HB LEU 78 -5.970 6.237 0.745 572 HG LEU 78 HG LEU 78 -8.842 6.100 -0.128 573 HD11 LEU 78 1HD1 LEU 78 -9.350 8.011 1.189 574 HD12 LEU 78 2HD1 LEU 78 -7.676 8.167 1.722 575 HD13 LEU 78 3HD1 LEU 78 -8.652 6.804 2.270 576 HD21 LEU 78 1HD2 LEU 78 -6.748 7.071 -1.449 577 HD22 LEU 78 2HD2 LEU 78 -7.098 8.477 -0.442 578 HD23 LEU 78 3HD2 LEU 78 -8.340 7.828 -1.515 579 H VAL 79 H VAL 79 -4.687 3.670 -1.708 580 HA VAL 79 HA VAL 79 -3.527 2.084 0.465 581 HB VAL 79 HB VAL 79 -2.886 2.089 -2.488 582 HG11 VAL 79 1HG1 VAL 79 -1.318 0.439 -2.135 583 HG12 VAL 79 2HG1 VAL 79 -1.079 1.453 -0.710 584 HG13 VAL 79 3HG1 VAL 79 -2.012 -0.039 -0.587 585 HG21 VAL 79 1HG2 VAL 79 -4.540 0.631 -2.759 586 HG22 VAL 79 2HG2 VAL 79 -3.914 -0.384 -1.460 587 HG23 VAL 79 3HG2 VAL 79 -5.030 0.931 -1.091 588 H GLN 80 H GLN 80 -1.723 2.679 1.481 589 HA GLN 80 HA GLN 80 0.027 4.670 0.212 590 HB2 GLN 80 1HB GLN 80 -1.013 4.698 3.045 591 HB3 GLN 80 2HB GLN 80 0.352 5.668 2.508 592 HG2 GLN 80 1HG GLN 80 -1.022 6.901 1.001 593 HG3 GLN 80 2HG GLN 80 -2.387 5.820 1.279 594 HE21 GLN 80 1HE2 GLN 80 -2.063 8.742 1.647 595 HE22 GLN 80 2HE2 GLN 80 -2.518 9.046 3.286 596 H VAL 81 H VAL 81 2.028 3.930 0.046 597 HA VAL 81 HA VAL 81 2.893 1.765 1.830 598 HB VAL 81 HB VAL 81 4.055 2.678 -0.805 599 HG11 VAL 81 1HG1 VAL 81 5.776 1.792 0.678 600 HG12 VAL 81 2HG1 VAL 81 4.811 0.338 0.943 601 HG13 VAL 81 3HG1 VAL 81 5.465 0.685 -0.658 602 HG21 VAL 81 1HG2 VAL 81 2.290 0.373 -0.029 603 HG22 VAL 81 2HG2 VAL 81 2.020 1.594 -1.273 604 HG23 VAL 81 3HG2 VAL 81 3.260 0.361 -1.502 605 H ARG 82 H ARG 82 4.822 1.863 2.962 606 HA ARG 82 HA ARG 82 6.264 4.422 2.927 607 HB2 ARG 82 1HB ARG 82 6.342 4.471 5.358 608 HB3 ARG 82 2HB ARG 82 4.673 4.458 4.806 609 HG2 ARG 82 1HG ARG 82 4.276 2.352 5.606 610 HG3 ARG 82 2HG ARG 82 5.968 1.867 5.477 611 HD2 ARG 82 1HD ARG 82 5.799 2.087 7.744 612 HD3 ARG 82 2HD ARG 82 6.281 3.729 7.318 613 HE ARG 82 HE ARG 82 3.428 3.282 7.426 614 HH11 ARG 82 2HH1 ARG 82 6.286 4.251 9.162 615 HH12 ARG 82 1HH1 ARG 82 5.412 5.141 10.364 616 HH21 ARG 82 2HH2 ARG 82 2.266 4.450 9.003 617 HH22 ARG 82 1HH2 ARG 82 3.126 5.253 10.273 618 H ALA 83 H ALA 83 8.389 4.274 4.061 619 HA ALA 83 HA ALA 83 9.526 1.563 3.867 620 HB1 ALA 83 1HB ALA 83 11.412 3.710 3.291 621 HB2 ALA 83 2HB ALA 83 11.105 2.205 2.423 622 HB3 ALA 83 3HB ALA 83 10.086 3.614 2.131 623 H ARG 84 H ARG 84 11.288 1.098 5.253 624 HA ARG 84 HA ARG 84 11.600 2.978 7.500 625 HB2 ARG 84 1HB ARG 84 10.226 1.053 8.158 626 HB3 ARG 84 2HB ARG 84 11.498 -0.041 7.631 627 HG2 ARG 84 1HG ARG 84 12.957 1.284 9.337 628 HG3 ARG 84 2HG ARG 84 11.394 1.731 10.024 629 HD2 ARG 84 1HD ARG 84 10.836 -0.719 10.080 630 HD3 ARG 84 2HD ARG 84 12.514 -1.038 9.641 631 HE ARG 84 HE ARG 84 12.530 0.623 11.875 632 HH11 ARG 84 2HH1 ARG 84 11.534 -2.601 11.019 633 HH12 ARG 84 1HH1 ARG 84 11.790 -3.242 12.609 634 HH21 ARG 84 2HH2 ARG 84 12.871 -0.209 13.971 635 HH22 ARG 84 1HH2 ARG 84 12.549 -1.880 14.287 636 H SER 85 H SER 85 13.636 3.234 8.353 637 HA SER 85 HA SER 85 15.821 1.722 7.094 638 HB2 SER 85 1HB SER 85 15.518 4.004 6.047 639 HB3 SER 85 2HB SER 85 15.940 4.699 7.612 640 HG SER 85 HG SER 85 17.961 4.256 7.245 641 H GLU 86 H GLU 86 17.933 2.094 8.296 642 HA GLU 86 HA GLU 86 17.861 1.122 10.825 643 HB2 GLU 86 1HB GLU 86 19.854 2.921 9.481 644 HB3 GLU 86 2HB GLU 86 20.100 2.397 11.141 645 HG2 GLU 86 1HG GLU 86 19.790 0.024 10.245 646 HG3 GLU 86 2HG GLU 86 20.012 0.739 8.649 647 H ALA 87 H ALA 87 17.629 4.513 9.889 648 HA ALA 87 HA ALA 87 17.771 5.623 12.475 649 HB1 ALA 87 1HB ALA 87 16.066 7.094 10.628 650 HB2 ALA 87 2HB ALA 87 17.576 7.572 11.405 651 HB3 ALA 87 3HB ALA 87 17.611 6.620 9.921 652 H GLY 88 H GLY 88 14.968 4.746 10.458 653 HA2 GLY 88 1HA GLY 88 13.352 3.661 12.347 654 HA3 GLY 88 2HA GLY 88 13.105 5.387 12.566 655 H TYR 89 H TYR 89 10.863 4.442 12.007 656 HA TYR 89 HA TYR 89 10.305 3.769 9.307 657 HB2 TYR 89 1HB TYR 89 8.684 4.463 11.712 658 HB3 TYR 89 2HB TYR 89 7.902 4.543 10.136 659 HD1 TYR 89 1HD TYR 89 9.557 2.311 12.557 660 HD2 TYR 89 2HD TYR 89 7.364 2.553 8.918 661 HE1 TYR 89 1HE TYR 89 9.191 -0.120 12.622 662 HE2 TYR 89 2HE TYR 89 6.992 0.123 8.974 663 HH TYR 89 HH TYR 89 6.942 -1.685 11.038 664 H GLY 90 H GLY 90 9.458 4.998 7.640 665 HA2 GLY 90 1HA GLY 90 9.901 7.894 7.919 666 HA3 GLY 90 2HA GLY 90 9.926 7.000 6.406 667 HA PRO 91 HA PRO 91 5.703 9.002 7.350 668 HB2 PRO 91 1HB PRO 91 5.875 11.128 5.669 669 HB3 PRO 91 2HB PRO 91 6.375 11.199 7.363 670 HG2 PRO 91 1HG PRO 91 8.048 10.839 4.907 671 HG3 PRO 91 2HG PRO 91 8.352 11.855 6.328 672 HD2 PRO 91 1HD PRO 91 9.540 9.447 5.979 673 HD3 PRO 91 2HD PRO 91 9.130 10.086 7.584 674 H PHE 92 H PHE 92 3.938 9.178 5.812 675 HA PHE 92 HA PHE 92 4.256 7.331 3.622 676 HB2 PHE 92 1HB PHE 92 1.922 8.768 4.851 677 HB3 PHE 92 2HB PHE 92 1.748 7.941 3.306 678 HD1 PHE 92 1HD PHE 92 2.828 5.468 3.355 679 HD2 PHE 92 2HD PHE 92 1.292 7.595 6.707 680 HE1 PHE 92 1HE PHE 92 2.465 3.340 4.535 681 HE2 PHE 92 2HE PHE 92 0.927 5.470 7.893 682 HZ PHE 92 HZ PHE 92 1.514 3.339 6.807 683 H GLY 93 H GLY 93 3.602 7.782 1.428 684 HA2 GLY 93 1HA GLY 93 4.310 10.530 0.653 685 HA3 GLY 93 2HA GLY 93 4.445 9.113 -0.377 686 H GLN 94 H GLN 94 3.326 10.691 -1.855 687 HA GLN 94 HA GLN 94 0.790 11.670 -1.580 688 HB2 GLN 94 1HB GLN 94 0.636 11.732 -3.942 689 HB3 GLN 94 2HB GLN 94 2.346 11.904 -3.569 690 HG2 GLN 94 1HG GLN 94 2.692 9.538 -4.067 691 HG3 GLN 94 2HG GLN 94 0.979 9.370 -4.447 692 HE21 GLN 94 1HE2 GLN 94 2.703 8.625 -6.330 693 HE22 GLN 94 2HE2 GLN 94 2.754 9.767 -7.624 694 H GLU 95 H GLU 95 -1.237 10.890 -1.512 695 HA GLU 95 HA GLU 95 -1.662 8.131 -1.023 696 HB2 GLU 95 1HB GLU 95 -4.034 8.713 -0.903 697 HB3 GLU 95 2HB GLU 95 -3.057 9.865 -0.004 698 HG2 GLU 95 1HG GLU 95 -3.168 11.389 -1.969 699 HG3 GLU 95 2HG GLU 95 -4.299 10.260 -2.714 700 H HIS 96 H HIS 96 -2.639 6.556 -2.263 701 HA HIS 96 HA HIS 96 -2.995 7.196 -5.118 702 HB2 HIS 96 1HB HIS 96 -0.967 5.891 -4.838 703 HB3 HIS 96 2HB HIS 96 -1.835 4.685 -3.892 704 HD1 HIS 96 1HD HIS 96 -1.968 6.136 -7.409 705 HD2 HIS 96 2HD HIS 96 -2.684 2.588 -5.371 706 HE1 HIS 96 1HE HIS 96 -2.550 4.449 -9.181 707 HE2 HIS 96 2HE HIS 96 -3.063 2.332 -7.917 708 H HIS 97 H HIS 97 -4.611 6.040 -6.245 709 HA HIS 97 HA HIS 97 -6.625 4.786 -4.496 710 HB2 HIS 97 1HB HIS 97 -7.241 6.190 -7.092 711 HB3 HIS 97 2HB HIS 97 -8.360 5.727 -5.813 712 HD1 HIS 97 1HD HIS 97 -5.663 8.252 -6.572 713 HD2 HIS 97 2HD HIS 97 -8.713 7.599 -3.828 714 HE1 HIS 97 1HE HIS 97 -5.834 10.377 -5.237 715 HE2 HIS 97 2HE HIS 97 -7.628 9.927 -3.528 716 H SER 98 H SER 98 -6.369 2.650 -4.782 717 HA SER 98 HA SER 98 -5.613 1.507 -7.302 718 HB2 SER 98 1HB SER 98 -5.122 0.616 -4.911 719 HB3 SER 98 2HB SER 98 -6.743 -0.073 -5.005 720 HG SER 98 HG SER 98 -4.448 -0.695 -6.489 721 H GLN 99 H GLN 99 -7.073 1.679 -8.902 722 HA GLN 99 HA GLN 99 -9.896 1.203 -8.365 723 HB2 GLN 99 1HB GLN 99 -8.391 2.156 -10.797 724 HB3 GLN 99 2HB GLN 99 -10.107 1.777 -10.839 725 HG2 GLN 99 1HG GLN 99 -10.642 3.529 -9.372 726 HG3 GLN 99 2HG GLN 99 -8.960 3.745 -8.890 727 HE21 GLN 99 1HE2 GLN 99 -11.117 3.957 -11.682 728 HE22 GLN 99 2HE2 GLN 99 -10.294 5.272 -12.441 729 H THR 100 H THR 100 -10.926 -0.638 -8.803 730 HA THR 100 HA THR 100 -9.424 -2.896 -9.784 731 HB THR 100 HB THR 100 -11.356 -4.233 -9.253 732 HG1 THR 100 1HG THR 100 -12.654 -1.753 -9.351 733 HG21 THR 100 1HG2 THR 100 -11.297 -4.007 -6.969 734 HG22 THR 100 2HG2 THR 100 -11.428 -2.250 -7.031 735 HG23 THR 100 3HG2 THR 100 -9.895 -3.034 -7.410 736 H GLN 101 H GLN 101 -9.045 -2.034 -11.946 737 HA GLN 101 HA GLN 101 -9.471 -1.819 -14.176 738 HB2 GLN 101 1HB GLN 101 -9.881 -4.290 -13.697 739 HB3 GLN 101 2HB GLN 101 -11.597 -3.910 -13.739 740 HG2 GLN 101 1HG GLN 101 -11.492 -3.275 -16.017 741 HG3 GLN 101 2HG GLN 101 -9.730 -3.297 -16.010 742 HE21 GLN 101 1HE2 GLN 101 -8.772 -5.059 -16.736 743 HE22 GLN 101 2HE2 GLN 101 -9.512 -6.608 -16.931 744 H LEU 102 H LEU 102 -10.700 0.163 -12.797 745 HA LEU 102 HA LEU 102 -13.423 0.335 -13.880 746 HB2 LEU 102 1HB LEU 102 -11.996 1.846 -11.709 747 HB3 LEU 102 2HB LEU 102 -13.537 2.381 -12.376 748 HG LEU 102 HG LEU 102 -13.243 -0.366 -11.211 749 HD11 LEU 102 1HD1 LEU 102 -13.553 0.340 -9.054 750 HD12 LEU 102 2HD1 LEU 102 -14.233 1.892 -9.541 751 HD13 LEU 102 3HD1 LEU 102 -12.496 1.614 -9.664 752 HD21 LEU 102 1HD2 LEU 102 -15.715 0.483 -10.614 753 HD22 LEU 102 2HD2 LEU 102 -15.310 -0.328 -12.127 754 HD23 LEU 102 3HD2 LEU 102 -15.423 1.432 -12.072 755 H ASP 103 H ASP 103 -12.862 0.814 -16.025 756 HA ASP 103 HA ASP 103 -11.063 2.609 -17.010 757 HB2 ASP 103 1HB ASP 103 -13.831 1.894 -17.951 758 HB3 ASP 103 2HB ASP 103 -12.826 3.029 -18.847 759 H SER 104 H SER 104 -10.800 4.760 -17.067 760 HA SER 104 HA SER 104 -12.443 6.405 -15.397 761 HB2 SER 104 1HB SER 104 -10.904 8.239 -16.182 762 HB3 SER 104 2HB SER 104 -10.084 6.862 -15.447 763 HG SER 104 HG SER 104 -9.704 7.883 -17.855 764 H GLY 105 H GLY 105 -11.803 6.254 -18.892 765 HA2 GLY 105 1HA GLY 105 -14.222 6.623 -19.944 766 HA3 GLY 105 2HA GLY 105 -13.857 8.254 -19.401 767 HA PRO 106 HA PRO 106 -12.326 8.024 -23.714 768 HB2 PRO 106 1HB PRO 106 -12.935 10.607 -24.288 769 HB3 PRO 106 2HB PRO 106 -14.112 9.294 -24.405 770 HG2 PRO 106 1HG PRO 106 -13.712 11.288 -22.209 771 HG3 PRO 106 2HG PRO 106 -15.224 10.704 -22.928 772 HD2 PRO 106 1HD PRO 106 -14.280 9.776 -20.566 773 HD3 PRO 106 2HD PRO 106 -15.211 8.762 -21.687 774 H SER 107 H SER 107 -11.624 10.046 -20.992 775 HA SER 107 HA SER 107 -9.439 11.464 -22.173 776 HB2 SER 107 1HB SER 107 -10.791 12.216 -20.158 777 HB3 SER 107 2HB SER 107 -9.903 11.015 -19.221 778 HG SER 107 HG SER 107 -7.970 12.146 -20.149 779 H SER 108 H SER 108 -7.275 11.048 -22.091 780 HA SER 108 HA SER 108 -6.496 8.312 -21.712 781 HB2 SER 108 1HB SER 108 -4.988 10.805 -22.500 782 HB3 SER 108 2HB SER 108 -4.189 9.247 -22.287 783 HG SER 108 HG SER 108 -6.399 9.660 -24.015 784 H GLY 109 H GLY 109 -4.773 7.590 -20.322 785 HA2 GLY 109 1HA GLY 109 -5.007 8.699 -17.672 786 HA3 GLY 109 2HA GLY 109 -4.083 7.277 -18.132 Start of MODEL 8 1 H1 GLY 1 H GLY 1 16.938 19.363 15.132 2 HA2 GLY 1 1HA GLY 1 16.420 20.176 17.324 3 HA3 GLY 1 2HA GLY 1 15.126 21.137 16.623 4 H SER 2 H SER 2 13.133 20.190 16.194 5 HA SER 2 HA SER 2 12.051 18.441 17.921 6 HB2 SER 2 1HB SER 2 11.313 18.479 14.986 7 HB3 SER 2 2HB SER 2 10.271 18.019 16.332 8 HG SER 2 HG SER 2 10.047 20.234 15.484 9 H SER 3 H SER 3 13.361 17.462 14.753 10 HA SER 3 HA SER 3 14.241 14.941 15.880 11 HB2 SER 3 1HB SER 3 12.176 15.056 13.670 12 HB3 SER 3 2HB SER 3 13.073 13.605 14.117 13 HG SER 3 HG SER 3 11.444 13.357 15.439 14 H GLY 4 H GLY 4 15.857 13.938 14.678 15 HA2 GLY 4 1HA GLY 4 17.184 15.686 12.775 16 HA3 GLY 4 2HA GLY 4 17.836 14.208 13.467 17 H SER 5 H SER 5 17.879 12.435 12.236 18 HA SER 5 HA SER 5 16.796 12.610 9.549 19 HB2 SER 5 1HB SER 5 18.051 10.498 9.173 20 HB3 SER 5 2HB SER 5 19.073 11.788 9.805 21 HG SER 5 HG SER 5 19.353 9.720 10.851 22 H SER 6 H SER 6 14.576 12.408 9.849 23 HA SER 6 HA SER 6 13.222 10.587 11.417 24 HB2 SER 6 1HB SER 6 12.571 12.040 8.894 25 HB3 SER 6 2HB SER 6 11.489 10.743 9.402 26 HG SER 6 HG SER 6 11.296 13.117 10.219 27 H GLY 7 H GLY 7 14.341 10.176 8.067 28 HA2 GLY 7 1HA GLY 7 15.199 7.629 8.109 29 HA3 GLY 7 2HA GLY 7 13.457 7.414 8.023 30 HA PRO 8 HA PRO 8 14.935 7.564 3.678 31 HB2 PRO 8 1HB PRO 8 13.160 5.712 2.788 32 HB3 PRO 8 2HB PRO 8 14.712 5.283 3.519 33 HG2 PRO 8 1HG PRO 8 11.985 5.332 4.754 34 HG3 PRO 8 2HG PRO 8 13.267 4.118 4.921 35 HD2 PRO 8 1HD PRO 8 12.793 6.004 6.805 36 HD3 PRO 8 2HD PRO 8 14.417 5.364 6.482 37 HA PRO 9 HA PRO 9 11.818 10.227 2.084 38 HB2 PRO 9 1HB PRO 9 11.951 9.703 -0.577 39 HB3 PRO 9 2HB PRO 9 13.205 10.599 0.290 40 HG2 PRO 9 1HG PRO 9 13.151 7.717 -0.517 41 HG3 PRO 9 2HG PRO 9 14.485 8.881 -0.613 42 HD2 PRO 9 1HD PRO 9 14.296 7.042 1.365 43 HD3 PRO 9 2HD PRO 9 15.019 8.643 1.617 44 H ALA 10 H ALA 10 9.660 10.241 1.697 45 HA ALA 10 HA ALA 10 8.062 8.054 2.065 46 HB1 ALA 10 1HB ALA 10 7.261 10.345 0.287 47 HB2 ALA 10 2HB ALA 10 6.231 9.354 1.321 48 HB3 ALA 10 3HB ALA 10 7.378 10.483 2.042 49 H VAL 11 H VAL 11 7.196 6.453 0.846 50 HA VAL 11 HA VAL 11 8.473 5.687 -1.546 51 HB VAL 11 HB VAL 11 5.772 4.679 -0.673 52 HG11 VAL 11 1HG1 VAL 11 6.918 4.019 -2.883 53 HG12 VAL 11 2HG1 VAL 11 8.017 3.089 -1.863 54 HG13 VAL 11 3HG1 VAL 11 6.288 2.738 -1.849 55 HG21 VAL 11 1HG2 VAL 11 7.887 3.044 0.320 56 HG22 VAL 11 2HG2 VAL 11 8.133 4.697 0.884 57 HG23 VAL 11 3HG2 VAL 11 6.612 3.868 1.217 58 H SER 12 H SER 12 8.252 6.614 -3.465 59 HA SER 12 HA SER 12 5.620 7.710 -4.208 60 HB2 SER 12 1HB SER 12 6.727 9.336 -5.572 61 HB3 SER 12 2HB SER 12 7.540 9.346 -4.007 62 HG SER 12 HG SER 12 8.420 8.029 -6.363 63 H ASP 13 H ASP 13 5.547 7.899 -6.764 64 HA ASP 13 HA ASP 13 5.066 6.675 -8.634 65 HB2 ASP 13 1HB ASP 13 7.950 6.170 -8.042 66 HB3 ASP 13 2HB ASP 13 7.189 5.258 -9.342 67 H ILE 14 H ILE 14 3.757 5.493 -6.703 68 HA ILE 14 HA ILE 14 4.509 2.690 -6.500 69 HB ILE 14 HB ILE 14 2.104 4.123 -5.365 70 HG12 ILE 14 1HG1 ILE 14 4.572 3.206 -3.890 71 HG13 ILE 14 2HG1 ILE 14 4.410 4.833 -4.541 72 HG21 ILE 14 1HG2 ILE 14 3.139 1.542 -4.307 73 HG22 ILE 14 2HG2 ILE 14 1.502 2.196 -4.287 74 HG23 ILE 14 3HG2 ILE 14 2.165 1.524 -5.777 75 HD11 ILE 14 1HD1 ILE 14 2.423 5.174 -3.150 76 HD12 ILE 14 2HD1 ILE 14 2.632 3.557 -2.477 77 HD13 ILE 14 3HD1 ILE 14 3.854 4.796 -2.193 78 H ARG 15 H ARG 15 4.196 1.764 -8.484 79 HA ARG 15 HA ARG 15 1.671 2.142 -9.876 80 HB2 ARG 15 1HB ARG 15 2.672 0.854 -11.671 81 HB3 ARG 15 2HB ARG 15 3.794 2.101 -11.141 82 HG2 ARG 15 1HG ARG 15 5.185 0.550 -10.067 83 HG3 ARG 15 2HG ARG 15 3.951 -0.711 -10.112 84 HD2 ARG 15 1HD ARG 15 5.652 -1.166 -11.770 85 HD3 ARG 15 2HD ARG 15 4.130 -0.766 -12.566 86 HE ARG 15 HE ARG 15 5.731 1.548 -12.268 87 HH11 ARG 15 2HH1 ARG 15 5.463 -1.382 -14.130 88 HH12 ARG 15 1HH1 ARG 15 6.254 -0.723 -15.523 89 HH21 ARG 15 2HH2 ARG 15 6.774 2.427 -14.097 90 HH22 ARG 15 1HH2 ARG 15 7.000 1.443 -15.503 91 H VAL 16 H VAL 16 0.455 0.252 -10.657 92 HA VAL 16 HA VAL 16 0.441 -1.898 -8.641 93 HB VAL 16 HB VAL 16 -1.878 -0.865 -10.281 94 HG11 VAL 16 1HG1 VAL 16 -1.687 -3.371 -9.479 95 HG12 VAL 16 2HG1 VAL 16 -2.206 -2.674 -7.943 96 HG13 VAL 16 3HG1 VAL 16 -3.210 -2.489 -9.381 97 HG21 VAL 16 1HG2 VAL 16 -2.032 -0.686 -7.371 98 HG22 VAL 16 2HG2 VAL 16 -0.749 0.303 -8.070 99 HG23 VAL 16 3HG2 VAL 16 -2.417 0.517 -8.603 100 H THR 17 H THR 17 0.884 -3.883 -9.324 101 HA THR 17 HA THR 17 0.791 -4.420 -12.217 102 HB THR 17 HB THR 17 3.028 -4.626 -11.193 103 HG1 THR 17 1HG THR 17 2.717 -5.959 -12.933 104 HG21 THR 17 1HG2 THR 17 2.904 -5.330 -9.029 105 HG22 THR 17 2HG2 THR 17 3.164 -6.898 -9.794 106 HG23 THR 17 3HG2 THR 17 1.535 -6.396 -9.340 107 H ARG 18 H ARG 18 0.428 -6.795 -12.742 108 HA ARG 18 HA ARG 18 -1.264 -8.347 -12.918 109 HB2 ARG 18 1HB ARG 18 -0.022 -8.654 -10.213 110 HB3 ARG 18 2HB ARG 18 -1.382 -9.679 -10.653 111 HG2 ARG 18 1HG ARG 18 1.004 -9.446 -12.443 112 HG3 ARG 18 2HG ARG 18 1.004 -10.541 -11.059 113 HD2 ARG 18 1HD ARG 18 -1.292 -10.607 -12.959 114 HD3 ARG 18 2HD ARG 18 0.231 -11.357 -13.435 115 HE ARG 18 HE ARG 18 -0.382 -12.286 -10.890 116 HH11 ARG 18 2HH1 ARG 18 -1.718 -12.433 -14.102 117 HH12 ARG 18 1HH1 ARG 18 -2.466 -13.977 -13.861 118 HH21 ARG 18 2HH2 ARG 18 -1.362 -14.320 -10.561 119 HH22 ARG 18 1HH2 ARG 18 -2.264 -15.049 -11.847 120 H SER 19 H SER 19 -2.524 -6.005 -12.679 121 HA SER 19 HA SER 19 -4.201 -5.631 -10.472 122 HB2 SER 19 1HB SER 19 -5.096 -4.945 -13.256 123 HB3 SER 19 2HB SER 19 -5.327 -4.040 -11.761 124 HG SER 19 HG SER 19 -2.813 -4.053 -11.935 125 H SER 20 H SER 20 -6.227 -6.339 -9.945 126 HA SER 20 HA SER 20 -7.556 -8.239 -11.730 127 HB2 SER 20 1HB SER 20 -6.787 -8.808 -8.861 128 HB3 SER 20 2HB SER 20 -7.954 -9.768 -9.770 129 HG SER 20 HG SER 20 -5.187 -9.605 -10.030 130 HA PRO 21 HA PRO 21 -11.228 -6.189 -10.470 131 HB2 PRO 21 1HB PRO 21 -13.046 -8.186 -10.745 132 HB3 PRO 21 2HB PRO 21 -12.302 -7.368 -12.124 133 HG2 PRO 21 1HG PRO 21 -11.604 -10.001 -10.881 134 HG3 PRO 21 2HG PRO 21 -11.722 -9.569 -12.597 135 HD2 PRO 21 1HD PRO 21 -9.353 -9.738 -11.297 136 HD3 PRO 21 2HD PRO 21 -9.634 -8.594 -12.625 137 H SER 22 H SER 22 -9.758 -8.504 -8.606 138 HA SER 22 HA SER 22 -11.636 -8.026 -6.397 139 HB2 SER 22 1HB SER 22 -11.210 -10.369 -5.614 140 HB3 SER 22 2HB SER 22 -12.103 -10.278 -7.131 141 HG SER 22 HG SER 22 -10.322 -10.913 -8.231 142 H SER 23 H SER 23 -8.402 -9.238 -7.253 143 HA SER 23 HA SER 23 -7.389 -8.324 -4.665 144 HB2 SER 23 1HB SER 23 -5.283 -9.516 -5.409 145 HB3 SER 23 2HB SER 23 -6.697 -10.550 -5.208 146 HG SER 23 HG SER 23 -6.430 -11.100 -7.206 147 H LEU 24 H LEU 24 -5.483 -7.016 -4.533 148 HA LEU 24 HA LEU 24 -4.863 -5.461 -6.945 149 HB2 LEU 24 1HB LEU 24 -5.778 -4.452 -4.286 150 HB3 LEU 24 2HB LEU 24 -4.691 -3.474 -5.269 151 HG LEU 24 HG LEU 24 -7.358 -4.473 -6.249 152 HD11 LEU 24 1HD1 LEU 24 -7.122 -1.635 -5.616 153 HD12 LEU 24 2HD1 LEU 24 -7.046 -2.685 -4.202 154 HD13 LEU 24 3HD1 LEU 24 -8.433 -2.768 -5.288 155 HD21 LEU 24 1HD2 LEU 24 -5.245 -3.504 -7.657 156 HD22 LEU 24 2HD2 LEU 24 -6.149 -2.027 -7.325 157 HD23 LEU 24 3HD2 LEU 24 -6.931 -3.371 -8.157 158 H SER 25 H SER 25 -2.790 -5.905 -7.314 159 HA SER 25 HA SER 25 -0.958 -6.323 -5.086 160 HB2 SER 25 1HB SER 25 -1.085 -7.764 -7.244 161 HB3 SER 25 2HB SER 25 -0.180 -6.447 -7.989 162 HG SER 25 HG SER 25 0.915 -8.373 -6.809 163 H LEU 26 H LEU 26 0.400 -4.823 -4.362 164 HA LEU 26 HA LEU 26 0.661 -2.330 -5.885 165 HB2 LEU 26 1HB LEU 26 1.277 -2.906 -2.991 166 HB3 LEU 26 2HB LEU 26 1.399 -1.333 -3.775 167 HG LEU 26 HG LEU 26 -1.188 -2.856 -3.516 168 HD11 LEU 26 1HD1 LEU 26 -1.705 -1.328 -1.661 169 HD12 LEU 26 2HD1 LEU 26 -0.052 -0.718 -1.720 170 HD13 LEU 26 3HD1 LEU 26 -0.355 -2.401 -1.289 171 HD21 LEU 26 1HD2 LEU 26 -2.204 -1.061 -4.445 172 HD22 LEU 26 2HD2 LEU 26 -0.621 -0.844 -5.192 173 HD23 LEU 26 3HD2 LEU 26 -1.054 0.086 -3.757 174 H ALA 27 H ALA 27 2.723 -1.295 -6.055 175 HA ALA 27 HA ALA 27 5.121 -2.699 -5.336 176 HB1 ALA 27 1HB ALA 27 5.399 -2.379 -8.147 177 HB2 ALA 27 2HB ALA 27 5.493 -3.857 -7.189 178 HB3 ALA 27 3HB ALA 27 3.941 -3.321 -7.833 179 H TRP 28 H TRP 28 6.627 -1.223 -4.923 180 HA TRP 28 HA TRP 28 6.364 1.424 -6.189 181 HB2 TRP 28 1HB TRP 28 7.897 1.993 -4.078 182 HB3 TRP 28 2HB TRP 28 6.138 1.965 -3.979 183 HD1 TRP 28 HD TRP 28 9.028 0.732 -2.174 184 HE1 TRP 28 1HE TRP 28 8.415 -1.236 -0.633 185 HE3 TRP 28 3HE TRP 28 4.440 -0.421 -4.114 186 HZ2 TRP 28 2HZ TRP 28 6.271 -3.039 -0.285 187 HZ3 TRP 28 3HZ TRP 28 3.174 -2.281 -3.120 188 HH2 TRP 28 HH TRP 28 4.072 -3.563 -1.246 189 H ALA 29 H ALA 29 8.506 2.641 -6.265 190 HA ALA 29 HA ALA 29 10.511 0.843 -7.425 191 HB1 ALA 29 1HB ALA 29 11.271 3.469 -7.959 192 HB2 ALA 29 2HB ALA 29 10.481 2.344 -9.064 193 HB3 ALA 29 3HB ALA 29 9.513 3.463 -8.104 194 H VAL 30 H VAL 30 12.207 0.323 -6.225 195 HA VAL 30 HA VAL 30 12.879 1.054 -3.736 196 HB VAL 30 HB VAL 30 14.887 0.590 -5.946 197 HG11 VAL 30 1HG1 VAL 30 15.306 0.046 -3.025 198 HG12 VAL 30 2HG1 VAL 30 16.505 0.150 -4.315 199 HG13 VAL 30 3HG1 VAL 30 15.697 1.609 -3.740 200 HG21 VAL 30 1HG2 VAL 30 13.318 -1.254 -4.177 201 HG22 VAL 30 2HG2 VAL 30 13.513 -1.298 -5.929 202 HG23 VAL 30 3HG2 VAL 30 14.857 -1.749 -4.879 203 HA PRO 31 HA PRO 31 13.587 5.481 -4.423 204 HB2 PRO 31 1HB PRO 31 13.237 6.151 -1.816 205 HB3 PRO 31 2HB PRO 31 11.890 5.899 -2.932 206 HG2 PRO 31 1HG PRO 31 13.041 4.028 -0.897 207 HG3 PRO 31 2HG PRO 31 11.341 4.359 -1.277 208 HD2 PRO 31 1HD PRO 31 12.641 2.170 -2.200 209 HD3 PRO 31 2HD PRO 31 11.353 2.974 -3.120 210 H ARG 32 H ARG 32 15.167 6.992 -3.528 211 HA ARG 32 HA ARG 32 17.638 5.625 -2.858 212 HB2 ARG 32 1HB ARG 32 17.797 7.291 -4.575 213 HB3 ARG 32 2HB ARG 32 17.008 8.491 -3.560 214 HG2 ARG 32 1HG ARG 32 19.188 9.138 -3.366 215 HG3 ARG 32 2HG ARG 32 19.052 8.051 -1.983 216 HD2 ARG 32 1HD ARG 32 21.095 7.589 -3.192 217 HD3 ARG 32 2HD ARG 32 19.984 6.230 -3.352 218 HE ARG 32 HE ARG 32 19.508 7.793 -5.548 219 HH11 ARG 32 2HH1 ARG 32 22.289 6.207 -4.180 220 HH12 ARG 32 1HH1 ARG 32 23.062 5.957 -5.710 221 HH21 ARG 32 2HH2 ARG 32 20.516 7.471 -7.569 222 HH22 ARG 32 1HH2 ARG 32 22.053 6.677 -7.637 223 H ALA 33 H ALA 33 18.479 5.499 -0.883 224 HA ALA 33 HA ALA 33 17.710 7.476 1.140 225 HB1 ALA 33 1HB ALA 33 17.826 4.632 2.001 226 HB2 ALA 33 2HB ALA 33 16.897 5.979 2.662 227 HB3 ALA 33 3HB ALA 33 16.379 5.199 1.168 228 HA PRO 34 HA PRO 34 21.952 7.410 2.270 229 HB2 PRO 34 1HB PRO 34 21.802 7.944 4.928 230 HB3 PRO 34 2HB PRO 34 21.480 9.158 3.685 231 HG2 PRO 34 1HG PRO 34 19.546 7.520 5.277 232 HG3 PRO 34 2HG PRO 34 19.476 9.242 4.862 233 HD2 PRO 34 1HD PRO 34 18.052 7.363 3.530 234 HD3 PRO 34 2HD PRO 34 18.674 8.826 2.741 235 H SER 35 H SER 35 19.719 5.339 3.988 236 HA SER 35 HA SER 35 21.746 3.828 5.347 237 HB2 SER 35 1HB SER 35 19.180 4.144 5.902 238 HB3 SER 35 2HB SER 35 19.006 2.727 4.866 239 HG SER 35 HG SER 35 20.275 1.564 6.249 240 H GLY 36 H GLY 36 22.559 1.816 4.842 241 HA2 GLY 36 1HA GLY 36 23.272 1.132 2.346 242 HA3 GLY 36 2HA GLY 36 22.961 -0.087 3.574 243 H ALA 37 H ALA 37 20.441 -0.413 3.875 244 HA ALA 37 HA ALA 37 19.144 -0.470 1.242 245 HB1 ALA 37 1HB ALA 37 20.027 -2.645 1.344 246 HB2 ALA 37 2HB ALA 37 19.611 -2.824 3.049 247 HB3 ALA 37 3HB ALA 37 18.339 -2.811 1.828 248 H VAL 38 H VAL 38 16.855 -0.595 1.300 249 HA VAL 38 HA VAL 38 15.702 0.722 3.578 250 HB VAL 38 HB VAL 38 14.388 -0.335 1.071 251 HG11 VAL 38 1HG1 VAL 38 12.481 1.024 1.672 252 HG12 VAL 38 2HG1 VAL 38 12.833 -0.113 2.976 253 HG13 VAL 38 3HG1 VAL 38 13.301 1.581 3.131 254 HG21 VAL 38 1HG2 VAL 38 15.643 1.355 0.219 255 HG22 VAL 38 2HG2 VAL 38 14.285 2.318 0.803 256 HG23 VAL 38 3HG2 VAL 38 15.759 2.198 1.764 257 H LEU 39 H LEU 39 14.996 -0.289 5.329 258 HA LEU 39 HA LEU 39 14.758 -3.079 5.566 259 HB2 LEU 39 1HB LEU 39 13.748 -0.815 7.267 260 HB3 LEU 39 2HB LEU 39 13.540 -2.507 7.713 261 HG LEU 39 HG LEU 39 16.252 -1.311 7.208 262 HD11 LEU 39 1HD1 LEU 39 14.456 -0.900 9.474 263 HD12 LEU 39 2HD1 LEU 39 15.915 -0.027 9.006 264 HD13 LEU 39 3HD1 LEU 39 16.042 -1.529 9.922 265 HD21 LEU 39 1HD2 LEU 39 17.091 -3.215 8.236 266 HD22 LEU 39 2HD2 LEU 39 15.748 -3.842 7.280 267 HD23 LEU 39 3HD2 LEU 39 15.555 -3.595 9.016 268 H ASP 40 H ASP 40 12.538 -3.867 6.704 269 HA ASP 40 HA ASP 40 10.737 -4.419 4.744 270 HB2 ASP 40 1HB ASP 40 9.630 -3.958 7.478 271 HB3 ASP 40 2HB ASP 40 9.370 -5.307 6.375 272 H TYR 41 H TYR 41 8.571 -3.672 4.289 273 HA TYR 41 HA TYR 41 8.323 -0.757 4.622 274 HB2 TYR 41 1HB TYR 41 7.220 -2.531 2.434 275 HB3 TYR 41 2HB TYR 41 6.982 -0.791 2.550 276 HD1 TYR 41 1HD TYR 41 9.824 -3.228 2.585 277 HD2 TYR 41 2HD TYR 41 8.337 0.521 1.230 278 HE1 TYR 41 1HE TYR 41 11.902 -2.867 1.321 279 HE2 TYR 41 2HE TYR 41 10.411 0.892 -0.039 280 HH TYR 41 HH TYR 41 12.249 -0.259 -0.939 281 H GLU 42 H GLU 42 6.125 0.102 4.753 282 HA GLU 42 HA GLU 42 4.283 -1.783 6.073 283 HB2 GLU 42 1HB GLU 42 5.427 0.012 7.515 284 HB3 GLU 42 2HB GLU 42 4.395 1.163 6.677 285 HG2 GLU 42 1HG GLU 42 3.126 -1.213 7.925 286 HG3 GLU 42 2HG GLU 42 3.693 0.087 8.972 287 H VAL 43 H VAL 43 2.341 -1.991 5.177 288 HA VAL 43 HA VAL 43 1.473 0.059 3.245 289 HB VAL 43 HB VAL 43 0.819 -2.890 3.280 290 HG11 VAL 43 1HG1 VAL 43 0.130 -1.589 0.839 291 HG12 VAL 43 2HG1 VAL 43 -0.916 -2.454 1.967 292 HG13 VAL 43 3HG1 VAL 43 -0.626 -0.727 2.178 293 HG21 VAL 43 1HG2 VAL 43 2.050 -2.856 1.096 294 HG22 VAL 43 2HG2 VAL 43 2.580 -1.221 1.493 295 HG23 VAL 43 3HG2 VAL 43 3.057 -2.575 2.517 296 H LYS 44 H LYS 44 -0.097 1.286 4.035 297 HA LYS 44 HA LYS 44 -2.065 0.069 5.857 298 HB2 LYS 44 1HB LYS 44 -0.873 1.845 6.952 299 HB3 LYS 44 2HB LYS 44 -1.126 2.927 5.588 300 HG2 LYS 44 1HG LYS 44 -3.622 2.664 6.078 301 HG3 LYS 44 2HG LYS 44 -3.111 1.986 7.626 302 HD2 LYS 44 1HD LYS 44 -1.912 4.568 6.767 303 HD3 LYS 44 2HD LYS 44 -3.589 4.576 7.318 304 HE2 LYS 44 1HE LYS 44 -1.567 3.139 8.961 305 HE3 LYS 44 2HE LYS 44 -1.567 4.902 8.993 306 HZ1 LYS 44 1HZ LYS 44 -3.957 4.791 9.568 307 HZ2 LYS 44 2HZ LYS 44 -2.954 4.104 10.744 308 HZ3 LYS 44 3HZ LYS 44 -3.827 3.108 9.692 309 H TYR 45 H TYR 45 -3.850 -0.476 4.787 310 HA TYR 45 HA TYR 45 -4.941 1.448 2.840 311 HB2 TYR 45 1HB TYR 45 -5.873 -0.460 1.591 312 HB3 TYR 45 2HB TYR 45 -4.117 -0.534 1.674 313 HD1 TYR 45 2HD TYR 45 -3.044 -2.124 3.306 314 HD2 TYR 45 1HD TYR 45 -7.209 -2.212 2.443 315 HE1 TYR 45 2HE TYR 45 -3.179 -4.404 4.219 316 HE2 TYR 45 1HE TYR 45 -7.356 -4.491 3.355 317 HH TYR 45 HH TYR 45 -5.321 -5.823 5.312 318 H HIS 46 H HIS 46 -7.145 1.808 2.867 319 HA HIS 46 HA HIS 46 -8.874 0.302 4.619 320 HB2 HIS 46 1HB HIS 46 -9.394 1.987 6.175 321 HB3 HIS 46 2HB HIS 46 -7.637 2.037 6.057 322 HD1 HIS 46 1HD HIS 46 -6.600 4.079 4.781 323 HD2 HIS 46 2HD HIS 46 -10.709 4.284 5.364 324 HE1 HIS 46 1HE HIS 46 -7.228 6.468 4.310 325 HE2 HIS 46 2HE HIS 46 -9.704 6.588 4.752 326 H GLU 47 H GLU 47 -10.865 0.247 3.789 327 HA GLU 47 HA GLU 47 -11.504 1.417 1.341 328 HB2 GLU 47 1HB GLU 47 -12.593 -0.585 2.560 329 HB3 GLU 47 2HB GLU 47 -13.601 0.624 3.344 330 HG2 GLU 47 1HG GLU 47 -14.320 1.406 1.107 331 HG3 GLU 47 2HG GLU 47 -13.400 0.084 0.391 332 H LYS 48 H LYS 48 -11.962 3.441 0.827 333 HA LYS 48 HA LYS 48 -11.999 5.649 2.317 334 HB2 LYS 48 1HB LYS 48 -12.500 5.287 -0.238 335 HB3 LYS 48 2HB LYS 48 -14.175 5.446 0.272 336 HG2 LYS 48 1HG LYS 48 -13.954 7.655 0.799 337 HG3 LYS 48 2HG LYS 48 -12.233 7.510 1.163 338 HD2 LYS 48 1HD LYS 48 -11.954 7.056 -1.355 339 HD3 LYS 48 2HD LYS 48 -13.584 7.716 -1.509 340 HE2 LYS 48 1HE LYS 48 -11.274 9.142 -0.197 341 HE3 LYS 48 2HE LYS 48 -11.784 9.392 -1.866 342 HZ1 LYS 48 1HZ LYS 48 -14.017 9.987 -0.933 343 HZ2 LYS 48 2HZ LYS 48 -12.779 11.085 -0.586 344 HZ3 LYS 48 3HZ LYS 48 -13.307 10.002 0.602 345 H GLY 49 H GLY 49 -14.946 3.737 1.700 346 HA2 GLY 49 1HA GLY 49 -16.716 5.238 3.232 347 HA3 GLY 49 2HA GLY 49 -16.879 3.517 2.916 348 H ALA 50 H ALA 50 -14.976 2.297 4.258 349 HA ALA 50 HA ALA 50 -15.823 2.310 6.910 350 HB1 ALA 50 1HB ALA 50 -14.804 0.345 6.166 351 HB2 ALA 50 2HB ALA 50 -13.379 1.198 5.573 352 HB3 ALA 50 3HB ALA 50 -13.643 1.023 7.308 353 H GLU 51 H GLU 51 -15.290 3.452 8.670 354 HA GLU 51 HA GLU 51 -12.923 5.198 8.533 355 HB2 GLU 51 1HB GLU 51 -15.204 6.351 8.244 356 HB3 GLU 51 2HB GLU 51 -15.459 5.992 9.946 357 HG2 GLU 51 1HG GLU 51 -14.634 8.259 9.609 358 HG3 GLU 51 2HG GLU 51 -13.500 7.284 10.543 359 H GLY 52 H GLY 52 -11.888 5.656 10.525 360 HA2 GLY 52 1HA GLY 52 -11.980 5.387 12.993 361 HA3 GLY 52 2HA GLY 52 -12.607 3.773 12.689 362 HA PRO 53 HA PRO 53 -7.853 3.922 13.003 363 HB2 PRO 53 1HB PRO 53 -7.581 2.923 15.512 364 HB3 PRO 53 2HB PRO 53 -7.691 4.654 15.174 365 HG2 PRO 53 1HG PRO 53 -9.820 2.767 16.107 366 HG3 PRO 53 2HG PRO 53 -9.468 4.416 16.656 367 HD2 PRO 53 1HD PRO 53 -11.472 3.853 14.924 368 HD3 PRO 53 2HD PRO 53 -10.565 5.378 14.871 369 H SER 54 H SER 54 -10.342 1.648 13.979 370 HA SER 54 HA SER 54 -8.609 -0.649 13.678 371 HB2 SER 54 1HB SER 54 -10.246 -0.917 15.362 372 HB3 SER 54 2HB SER 54 -11.534 -0.306 14.324 373 HG SER 54 HG SER 54 -11.708 -2.524 14.402 374 H SER 55 H SER 55 -11.331 0.813 11.942 375 HA SER 55 HA SER 55 -11.875 -0.990 9.998 376 HB2 SER 55 1HB SER 55 -11.786 1.989 10.018 377 HB3 SER 55 2HB SER 55 -11.975 1.187 8.459 378 HG SER 55 HG SER 55 -13.832 1.643 10.274 379 H VAL 56 H VAL 56 -9.139 1.267 9.996 380 HA VAL 56 HA VAL 56 -8.110 0.398 7.485 381 HB VAL 56 HB VAL 56 -7.548 2.604 8.300 382 HG11 VAL 56 1HG1 VAL 56 -7.596 2.235 10.675 383 HG12 VAL 56 2HG1 VAL 56 -6.201 1.159 10.579 384 HG13 VAL 56 3HG1 VAL 56 -6.016 2.880 10.233 385 HG21 VAL 56 1HG2 VAL 56 -5.602 2.512 7.225 386 HG22 VAL 56 2HG2 VAL 56 -4.850 1.617 8.546 387 HG23 VAL 56 3HG2 VAL 56 -5.722 0.753 7.279 388 H ARG 57 H ARG 57 -6.476 -1.026 7.017 389 HA ARG 57 HA ARG 57 -5.658 -2.801 9.219 390 HB2 ARG 57 1HB ARG 57 -6.062 -3.344 6.279 391 HB3 ARG 57 2HB ARG 57 -5.244 -4.471 7.353 392 HG2 ARG 57 1HG ARG 57 -7.324 -4.465 8.767 393 HG3 ARG 57 2HG ARG 57 -8.108 -3.571 7.462 394 HD2 ARG 57 1HD ARG 57 -7.204 -5.517 5.976 395 HD3 ARG 57 2HD ARG 57 -7.111 -6.387 7.506 396 HE ARG 57 HE ARG 57 -9.483 -5.710 6.043 397 HH11 ARG 57 2HH1 ARG 57 -8.184 -6.408 9.197 398 HH12 ARG 57 1HH1 ARG 57 -9.698 -6.946 9.845 399 HH21 ARG 57 2HH2 ARG 57 -11.482 -6.416 6.885 400 HH22 ARG 57 1HH2 ARG 57 -11.573 -6.951 8.529 401 H PHE 58 H PHE 58 -3.513 -3.856 8.914 402 HA PHE 58 HA PHE 58 -1.606 -2.043 7.588 403 HB2 PHE 58 1HB PHE 58 -1.597 -3.156 10.360 404 HB3 PHE 58 2HB PHE 58 -0.054 -2.921 9.544 405 HD1 PHE 58 2HD PHE 58 -3.224 -0.961 9.788 406 HD2 PHE 58 1HD PHE 58 1.009 -1.019 10.235 407 HE1 PHE 58 2HE PHE 58 -3.261 1.418 10.413 408 HE2 PHE 58 1HE PHE 58 0.978 1.360 10.862 409 HZ PHE 58 HZ PHE 58 -1.158 2.582 10.950 410 H LEU 59 H LEU 59 -0.012 -2.966 6.403 411 HA LEU 59 HA LEU 59 0.360 -5.868 6.560 412 HB2 LEU 59 1HB LEU 59 -1.140 -5.742 4.771 413 HB3 LEU 59 2HB LEU 59 -0.399 -4.274 4.138 414 HG LEU 59 HG LEU 59 1.658 -5.925 3.795 415 HD11 LEU 59 1HD1 LEU 59 0.693 -7.891 4.723 416 HD12 LEU 59 2HD1 LEU 59 0.750 -8.110 2.974 417 HD13 LEU 59 3HD1 LEU 59 -0.773 -7.700 3.762 418 HD21 LEU 59 1HD2 LEU 59 -0.350 -6.338 1.708 419 HD22 LEU 59 2HD2 LEU 59 1.244 -5.588 1.620 420 HD23 LEU 59 3HD2 LEU 59 -0.142 -4.653 2.186 421 H LYS 60 H LYS 60 2.430 -6.061 7.108 422 HA LYS 60 HA LYS 60 4.400 -4.243 5.907 423 HB2 LYS 60 1HB LYS 60 4.399 -5.911 8.408 424 HB3 LYS 60 2HB LYS 60 5.903 -5.309 7.724 425 HG2 LYS 60 1HG LYS 60 5.379 -3.103 8.170 426 HG3 LYS 60 2HG LYS 60 3.647 -3.429 8.269 427 HD2 LYS 60 1HD LYS 60 5.575 -4.605 10.246 428 HD3 LYS 60 2HD LYS 60 4.925 -2.977 10.454 429 HE2 LYS 60 1HE LYS 60 2.629 -3.997 10.233 430 HE3 LYS 60 2HE LYS 60 3.407 -5.575 10.335 431 HZ1 LYS 60 1HZ LYS 60 3.755 -3.485 12.404 432 HZ2 LYS 60 2HZ LYS 60 4.145 -5.127 12.511 433 HZ3 LYS 60 3HZ LYS 60 2.524 -4.643 12.476 434 H THR 61 H THR 61 5.617 -4.966 4.301 435 HA THR 61 HA THR 61 6.162 -7.857 4.128 436 HB THR 61 HB THR 61 4.621 -7.488 2.378 437 HG1 THR 61 1HG THR 61 6.643 -8.534 1.758 438 HG21 THR 61 1HG2 THR 61 4.225 -5.426 1.633 439 HG22 THR 61 2HG2 THR 61 5.751 -5.479 0.750 440 HG23 THR 61 3HG2 THR 61 5.704 -4.837 2.392 441 H SER 62 H SER 62 8.245 -8.391 3.981 442 HA SER 62 HA SER 62 10.307 -6.543 4.288 443 HB2 SER 62 1HB SER 62 11.829 -8.387 3.919 444 HB3 SER 62 2HB SER 62 10.444 -8.981 4.835 445 HG SER 62 HG SER 62 10.762 -9.215 2.023 446 H GLU 63 H GLU 63 8.846 -7.863 1.399 447 HA GLU 63 HA GLU 63 10.870 -6.680 -0.322 448 HB2 GLU 63 1HB GLU 63 8.577 -8.540 -0.698 449 HB3 GLU 63 2HB GLU 63 9.069 -7.567 -2.077 450 HG2 GLU 63 1HG GLU 63 11.076 -8.627 -2.293 451 HG3 GLU 63 2HG GLU 63 11.166 -9.043 -0.582 452 H ASN 64 H ASN 64 10.210 -5.284 -2.135 453 HA ASN 64 HA ASN 64 8.465 -3.180 -1.171 454 HB2 ASN 64 1HB ASN 64 9.281 -1.937 -3.165 455 HB3 ASN 64 2HB ASN 64 10.588 -2.523 -2.139 456 HD21 ASN 64 1HD2 ASN 64 11.268 -1.834 -4.595 457 HD22 ASN 64 2HD2 ASN 64 11.567 -3.217 -5.587 458 H ARG 65 H ARG 65 7.302 -5.744 -1.989 459 HA ARG 65 HA ARG 65 5.263 -4.675 -3.753 460 HB2 ARG 65 1HB ARG 65 5.364 -6.583 -5.304 461 HB3 ARG 65 2HB ARG 65 6.837 -5.624 -5.348 462 HG2 ARG 65 1HG ARG 65 7.950 -7.272 -3.923 463 HG3 ARG 65 2HG ARG 65 6.473 -8.237 -3.898 464 HD2 ARG 65 1HD ARG 65 7.984 -7.496 -6.399 465 HD3 ARG 65 2HD ARG 65 8.175 -9.023 -5.538 466 HE ARG 65 HE ARG 65 6.131 -9.720 -6.354 467 HH11 ARG 65 2HH1 ARG 65 6.638 -6.355 -7.089 468 HH12 ARG 65 1HH1 ARG 65 5.304 -6.260 -8.190 469 HH21 ARG 65 2HH2 ARG 65 4.372 -9.607 -7.801 470 HH22 ARG 65 1HH2 ARG 65 4.016 -8.110 -8.594 471 H ALA 66 H ALA 66 3.303 -5.357 -3.150 472 HA ALA 66 HA ALA 66 3.096 -7.838 -1.582 473 HB1 ALA 66 1HB ALA 66 1.326 -6.640 -0.213 474 HB2 ALA 66 2HB ALA 66 3.001 -6.170 0.078 475 HB3 ALA 66 3HB ALA 66 1.955 -5.142 -0.901 476 H GLU 67 H GLU 67 0.880 -8.712 -1.498 477 HA GLU 67 HA GLU 67 -0.757 -7.908 -3.804 478 HB2 GLU 67 1HB GLU 67 0.475 -9.862 -4.505 479 HB3 GLU 67 2HB GLU 67 0.040 -10.717 -3.032 480 HG2 GLU 67 1HG GLU 67 -2.248 -10.849 -3.699 481 HG3 GLU 67 2HG GLU 67 -1.956 -9.795 -5.082 482 H LEU 68 H LEU 68 -2.693 -7.318 -3.110 483 HA LEU 68 HA LEU 68 -3.674 -8.159 -0.528 484 HB2 LEU 68 1HB LEU 68 -5.009 -6.458 -2.628 485 HB3 LEU 68 2HB LEU 68 -5.516 -6.636 -0.950 486 HG LEU 68 HG LEU 68 -2.969 -5.327 -1.904 487 HD11 LEU 68 1HD1 LEU 68 -5.334 -4.215 -2.167 488 HD12 LEU 68 2HD1 LEU 68 -3.954 -3.288 -1.580 489 HD13 LEU 68 3HD1 LEU 68 -5.143 -3.916 -0.439 490 HD21 LEU 68 1HD2 LEU 68 -3.634 -4.726 0.793 491 HD22 LEU 68 2HD2 LEU 68 -2.199 -5.536 0.165 492 HD23 LEU 68 3HD2 LEU 68 -3.624 -6.479 0.602 493 H ARG 69 H ARG 69 -5.655 -9.235 -0.151 494 HA ARG 69 HA ARG 69 -6.866 -10.606 -2.437 495 HB2 ARG 69 1HB ARG 69 -5.723 -11.949 0.011 496 HB3 ARG 69 2HB ARG 69 -6.890 -12.729 -1.048 497 HG2 ARG 69 1HG ARG 69 -5.372 -12.660 -2.889 498 HG3 ARG 69 2HG ARG 69 -4.238 -11.660 -1.980 499 HD2 ARG 69 1HD ARG 69 -3.318 -13.790 -1.823 500 HD3 ARG 69 2HD ARG 69 -4.194 -13.612 -0.304 501 HE ARG 69 HE ARG 69 -5.840 -14.816 -2.267 502 HH11 ARG 69 2HH1 ARG 69 -3.156 -15.478 -0.151 503 HH12 ARG 69 1HH1 ARG 69 -3.497 -17.172 -0.034 504 HH21 ARG 69 2HH2 ARG 69 -6.300 -17.046 -2.121 505 HH22 ARG 69 1HH2 ARG 69 -5.285 -18.063 -1.156 506 H GLY 70 H GLY 70 -9.035 -10.854 -2.281 507 HA2 GLY 70 1HA GLY 70 -11.155 -10.850 -1.365 508 HA3 GLY 70 2HA GLY 70 -10.418 -10.874 0.230 509 H LEU 71 H LEU 71 -11.090 -8.724 -2.513 510 HA LEU 71 HA LEU 71 -11.539 -6.558 -0.573 511 HB2 LEU 71 1HB LEU 71 -10.259 -6.267 -3.287 512 HB3 LEU 71 2HB LEU 71 -10.602 -4.961 -2.154 513 HG LEU 71 HG LEU 71 -8.780 -7.199 -1.359 514 HD11 LEU 71 1HD1 LEU 71 -8.113 -4.856 -3.119 515 HD12 LEU 71 2HD1 LEU 71 -7.790 -6.566 -3.402 516 HD13 LEU 71 3HD1 LEU 71 -6.904 -5.698 -2.149 517 HD21 LEU 71 1HD2 LEU 71 -9.540 -5.614 0.339 518 HD22 LEU 71 2HD2 LEU 71 -8.926 -4.275 -0.631 519 HD23 LEU 71 3HD2 LEU 71 -7.807 -5.459 0.046 520 H LYS 72 H LYS 72 -12.790 -4.705 -1.650 521 HA LYS 72 HA LYS 72 -14.959 -5.884 -3.255 522 HB2 LYS 72 1HB LYS 72 -14.922 -3.827 -1.084 523 HB3 LYS 72 2HB LYS 72 -16.183 -3.751 -2.308 524 HG2 LYS 72 1HG LYS 72 -16.851 -6.041 -1.754 525 HG3 LYS 72 2HG LYS 72 -15.599 -6.097 -0.511 526 HD2 LYS 72 1HD LYS 72 -17.575 -5.573 0.645 527 HD3 LYS 72 2HD LYS 72 -16.728 -4.034 0.480 528 HE2 LYS 72 1HE LYS 72 -18.133 -3.733 -1.653 529 HE3 LYS 72 2HE LYS 72 -19.136 -5.030 -1.007 530 HZ1 LYS 72 1HZ LYS 72 -18.549 -2.932 0.883 531 HZ2 LYS 72 2HZ LYS 72 -20.021 -3.684 0.523 532 HZ3 LYS 72 3HZ LYS 72 -19.458 -2.420 -0.449 533 H ARG 73 H ARG 73 -14.234 -5.453 -5.307 534 HA ARG 73 HA ARG 73 -12.929 -3.237 -6.263 535 HB2 ARG 73 1HB ARG 73 -13.738 -3.819 -8.455 536 HB3 ARG 73 2HB ARG 73 -13.428 -5.301 -7.561 537 HG2 ARG 73 1HG ARG 73 -15.988 -5.079 -6.975 538 HG3 ARG 73 2HG ARG 73 -16.002 -4.129 -8.462 539 HD2 ARG 73 1HD ARG 73 -14.856 -6.050 -9.591 540 HD3 ARG 73 2HD ARG 73 -15.107 -6.985 -8.118 541 HE ARG 73 HE ARG 73 -17.509 -5.822 -9.199 542 HH11 ARG 73 2HH1 ARG 73 -15.360 -8.560 -9.253 543 HH12 ARG 73 1HH1 ARG 73 -16.563 -9.658 -9.843 544 HH21 ARG 73 2HH2 ARG 73 -19.102 -7.258 -9.976 545 HH22 ARG 73 1HH2 ARG 73 -18.691 -8.916 -10.255 546 H GLY 74 H GLY 74 -13.724 -1.431 -7.588 547 HA2 GLY 74 1HA GLY 74 -15.183 0.307 -8.072 548 HA3 GLY 74 2HA GLY 74 -16.456 -0.573 -7.240 549 H ALA 75 H ALA 75 -15.327 -0.890 -4.732 550 HA ALA 75 HA ALA 75 -15.861 1.641 -3.571 551 HB1 ALA 75 1HB ALA 75 -14.475 -0.106 -1.761 552 HB2 ALA 75 2HB ALA 75 -16.161 0.413 -1.746 553 HB3 ALA 75 3HB ALA 75 -15.684 -1.006 -2.677 554 H SER 76 H SER 76 -14.506 3.301 -3.831 555 HA SER 76 HA SER 76 -11.900 3.385 -4.522 556 HB2 SER 76 1HB SER 76 -13.296 5.182 -2.527 557 HB3 SER 76 2HB SER 76 -11.732 5.544 -3.258 558 HG SER 76 HG SER 76 -14.277 5.598 -4.371 559 H TYR 77 H TYR 77 -10.111 2.504 -3.750 560 HA TYR 77 HA TYR 77 -9.960 1.891 -0.877 561 HB2 TYR 77 1HB TYR 77 -8.939 0.537 -3.319 562 HB3 TYR 77 2HB TYR 77 -7.940 0.444 -1.873 563 HD1 TYR 77 1HD TYR 77 -8.962 -0.507 0.240 564 HD2 TYR 77 2HD TYR 77 -10.840 -0.828 -3.565 565 HE1 TYR 77 1HE TYR 77 -10.356 -2.347 1.090 566 HE2 TYR 77 2HE TYR 77 -12.240 -2.668 -2.725 567 HH TYR 77 HH TYR 77 -11.602 -4.382 -0.033 568 H LEU 78 H LEU 78 -8.841 3.344 0.234 569 HA LEU 78 HA LEU 78 -6.653 4.789 -1.066 570 HB2 LEU 78 1HB LEU 78 -8.351 5.272 1.340 571 HB3 LEU 78 2HB LEU 78 -6.768 6.039 1.231 572 HG LEU 78 HG LEU 78 -8.847 6.351 -0.919 573 HD11 LEU 78 1HD1 LEU 78 -9.370 8.532 0.156 574 HD12 LEU 78 2HD1 LEU 78 -8.455 8.006 1.567 575 HD13 LEU 78 3HD1 LEU 78 -9.906 7.129 1.082 576 HD21 LEU 78 1HD2 LEU 78 -6.576 6.926 -1.541 577 HD22 LEU 78 2HD2 LEU 78 -6.422 7.957 -0.119 578 HD23 LEU 78 3HD2 LEU 78 -7.554 8.387 -1.402 579 H VAL 79 H VAL 79 -4.731 3.840 -0.911 580 HA VAL 79 HA VAL 79 -3.923 2.756 1.706 581 HB VAL 79 HB VAL 79 -4.311 0.863 0.253 582 HG11 VAL 79 1HG1 VAL 79 -3.418 0.594 -1.890 583 HG12 VAL 79 2HG1 VAL 79 -3.954 2.275 -1.858 584 HG13 VAL 79 3HG1 VAL 79 -2.244 1.890 -1.663 585 HG21 VAL 79 1HG2 VAL 79 -2.249 1.034 1.777 586 HG22 VAL 79 2HG2 VAL 79 -2.285 -0.250 0.569 587 HG23 VAL 79 3HG2 VAL 79 -1.332 1.205 0.280 588 H GLN 80 H GLN 80 -1.882 3.240 2.392 589 HA GLN 80 HA GLN 80 -0.234 4.894 0.596 590 HB2 GLN 80 1HB GLN 80 -1.034 5.334 3.442 591 HB3 GLN 80 2HB GLN 80 0.536 5.913 2.901 592 HG2 GLN 80 1HG GLN 80 -1.846 6.601 1.270 593 HG3 GLN 80 2HG GLN 80 -1.618 7.427 2.810 594 HE21 GLN 80 1HE2 GLN 80 0.051 6.611 -0.196 595 HE22 GLN 80 2HE2 GLN 80 1.007 8.048 -0.263 596 H VAL 81 H VAL 81 1.783 4.207 0.301 597 HA VAL 81 HA VAL 81 2.791 2.075 2.057 598 HB VAL 81 HB VAL 81 3.664 2.822 -0.738 599 HG11 VAL 81 1HG1 VAL 81 4.920 1.240 1.316 600 HG12 VAL 81 2HG1 VAL 81 4.545 0.252 -0.097 601 HG13 VAL 81 3HG1 VAL 81 5.530 1.706 -0.271 602 HG21 VAL 81 1HG2 VAL 81 1.698 1.768 -1.176 603 HG22 VAL 81 2HG2 VAL 81 2.722 0.343 -0.998 604 HG23 VAL 81 3HG2 VAL 81 1.709 0.875 0.344 605 H ARG 82 H ARG 82 4.429 2.483 3.385 606 HA ARG 82 HA ARG 82 6.074 4.875 2.880 607 HB2 ARG 82 1HB ARG 82 6.332 5.135 5.265 608 HB3 ARG 82 2HB ARG 82 4.618 5.030 4.886 609 HG2 ARG 82 1HG ARG 82 4.368 3.013 5.916 610 HG3 ARG 82 2HG ARG 82 6.039 2.529 5.618 611 HD2 ARG 82 1HD ARG 82 6.139 2.928 7.866 612 HD3 ARG 82 2HD ARG 82 6.550 4.530 7.254 613 HE ARG 82 HE ARG 82 3.736 4.077 7.757 614 HH11 ARG 82 2HH1 ARG 82 6.772 5.244 8.998 615 HH12 ARG 82 1HH1 ARG 82 6.041 6.243 10.210 616 HH21 ARG 82 2HH2 ARG 82 2.762 5.388 9.349 617 HH22 ARG 82 1HH2 ARG 82 3.760 6.324 10.409 618 H ALA 83 H ALA 83 8.240 4.702 4.140 619 HA ALA 83 HA ALA 83 9.328 1.981 3.853 620 HB1 ALA 83 1HB ALA 83 10.972 2.610 2.449 621 HB2 ALA 83 2HB ALA 83 9.860 3.921 2.054 622 HB3 ALA 83 3HB ALA 83 11.164 4.190 3.210 623 H ARG 84 H ARG 84 11.168 1.505 5.159 624 HA ARG 84 HA ARG 84 11.706 3.408 7.329 625 HB2 ARG 84 1HB ARG 84 10.089 1.876 8.248 626 HB3 ARG 84 2HB ARG 84 10.989 0.491 7.645 627 HG2 ARG 84 1HG ARG 84 12.794 0.942 9.181 628 HG3 ARG 84 2HG ARG 84 11.994 2.416 9.730 629 HD2 ARG 84 1HD ARG 84 10.028 0.857 10.327 630 HD3 ARG 84 2HD ARG 84 11.213 -0.441 10.190 631 HE ARG 84 HE ARG 84 11.048 1.559 12.272 632 HH11 ARG 84 2HH1 ARG 84 13.002 -0.855 10.700 633 HH12 ARG 84 1HH1 ARG 84 14.058 -1.071 12.057 634 HH21 ARG 84 2HH2 ARG 84 12.431 1.284 14.065 635 HH22 ARG 84 1HH2 ARG 84 13.732 0.145 13.970 636 H SER 85 H SER 85 13.782 3.420 8.090 637 HA SER 85 HA SER 85 15.649 1.445 6.969 638 HB2 SER 85 1HB SER 85 17.142 3.058 6.196 639 HB3 SER 85 2HB SER 85 15.584 3.782 5.800 640 HG SER 85 HG SER 85 17.217 4.360 8.048 641 H GLU 86 H GLU 86 17.876 1.708 8.078 642 HA GLU 86 HA GLU 86 17.867 0.890 10.618 643 HB2 GLU 86 1HB GLU 86 19.835 2.723 9.268 644 HB3 GLU 86 2HB GLU 86 20.102 2.129 10.901 645 HG2 GLU 86 1HG GLU 86 20.307 -0.083 10.192 646 HG3 GLU 86 2HG GLU 86 19.556 0.253 8.633 647 H ALA 87 H ALA 87 18.113 4.344 9.766 648 HA ALA 87 HA ALA 87 18.125 5.471 12.257 649 HB1 ALA 87 1HB ALA 87 18.274 6.664 10.055 650 HB2 ALA 87 2HB ALA 87 16.515 6.578 9.967 651 HB3 ALA 87 3HB ALA 87 17.289 7.470 11.276 652 H GLY 88 H GLY 88 15.123 5.152 10.345 653 HA2 GLY 88 1HA GLY 88 13.607 3.901 12.342 654 HA3 GLY 88 2HA GLY 88 13.408 5.638 12.524 655 H TYR 89 H TYR 89 11.122 4.845 12.084 656 HA TYR 89 HA TYR 89 10.373 4.001 9.498 657 HB2 TYR 89 1HB TYR 89 8.964 5.087 11.880 658 HB3 TYR 89 2HB TYR 89 8.115 5.167 10.340 659 HD1 TYR 89 2HD TYR 89 7.778 3.014 9.040 660 HD2 TYR 89 1HD TYR 89 9.074 3.076 13.092 661 HE1 TYR 89 2HE TYR 89 7.099 0.663 9.287 662 HE2 TYR 89 1HE TYR 89 8.400 0.724 13.350 663 HH TYR 89 HH TYR 89 7.088 -1.120 10.617 664 H GLY 90 H GLY 90 9.493 5.140 7.759 665 HA2 GLY 90 1HA GLY 90 10.273 7.982 7.685 666 HA3 GLY 90 2HA GLY 90 10.158 6.930 6.281 667 HA PRO 91 HA PRO 91 6.163 9.406 7.161 668 HB2 PRO 91 1HB PRO 91 6.495 11.417 5.367 669 HB3 PRO 91 2HB PRO 91 7.027 11.532 7.049 670 HG2 PRO 91 1HG PRO 91 8.622 10.896 4.597 671 HG3 PRO 91 2HG PRO 91 9.037 11.955 5.958 672 HD2 PRO 91 1HD PRO 91 10.002 9.435 5.725 673 HD3 PRO 91 2HD PRO 91 9.676 10.191 7.298 674 H PHE 92 H PHE 92 4.369 9.490 5.728 675 HA PHE 92 HA PHE 92 4.514 7.575 3.598 676 HB2 PHE 92 1HB PHE 92 2.325 9.204 4.840 677 HB3 PHE 92 2HB PHE 92 2.041 8.379 3.310 678 HD1 PHE 92 1HD PHE 92 2.836 5.835 3.319 679 HD2 PHE 92 2HD PHE 92 1.759 8.096 6.761 680 HE1 PHE 92 1HE PHE 92 2.348 3.750 4.532 681 HE2 PHE 92 2HE PHE 92 1.271 6.015 7.979 682 HZ PHE 92 HZ PHE 92 1.565 3.839 6.866 683 H GLY 93 H GLY 93 3.141 8.234 1.528 684 HA2 GLY 93 1HA GLY 93 4.246 10.795 0.551 685 HA3 GLY 93 2HA GLY 93 4.250 9.335 -0.427 686 H GLN 94 H GLN 94 2.921 9.814 -2.073 687 HA GLN 94 HA GLN 94 0.494 11.311 -1.679 688 HB2 GLN 94 1HB GLN 94 1.988 11.362 -3.752 689 HB3 GLN 94 2HB GLN 94 1.275 9.810 -4.172 690 HG2 GLN 94 1HG GLN 94 -0.871 10.748 -4.422 691 HG3 GLN 94 2HG GLN 94 -0.383 12.254 -3.646 692 HE21 GLN 94 1HE2 GLN 94 -1.541 12.802 -5.818 693 HE22 GLN 94 2HE2 GLN 94 -0.476 13.104 -7.144 694 H GLU 95 H GLU 95 -1.450 10.522 -1.218 695 HA GLU 95 HA GLU 95 -1.972 7.930 -0.476 696 HB2 GLU 95 1HB GLU 95 -4.407 8.511 -0.904 697 HB3 GLU 95 2HB GLU 95 -3.525 9.592 0.165 698 HG2 GLU 95 1HG GLU 95 -3.108 10.913 -2.074 699 HG3 GLU 95 2HG GLU 95 -4.569 10.063 -2.573 700 H HIS 96 H HIS 96 -2.799 6.107 -1.441 701 HA HIS 96 HA HIS 96 -2.672 6.073 -4.378 702 HB2 HIS 96 1HB HIS 96 -1.162 4.560 -2.963 703 HB3 HIS 96 2HB HIS 96 -2.622 3.650 -2.585 704 HD1 HIS 96 1HD HIS 96 -3.976 2.910 -4.933 705 HD2 HIS 96 2HD HIS 96 0.121 3.572 -5.117 706 HE1 HIS 96 1HE HIS 96 -3.196 1.729 -7.012 707 HE2 HIS 96 2HE HIS 96 -0.702 2.072 -7.056 708 H HIS 97 H HIS 97 -4.523 5.973 -5.448 709 HA HIS 97 HA HIS 97 -6.728 4.382 -4.399 710 HB2 HIS 97 1HB HIS 97 -8.310 6.310 -5.007 711 HB3 HIS 97 2HB HIS 97 -7.398 6.455 -3.507 712 HD1 HIS 97 1HD HIS 97 -7.587 7.856 -6.987 713 HD2 HIS 97 2HD HIS 97 -5.601 8.566 -3.407 714 HE1 HIS 97 1HE HIS 97 -6.461 10.087 -7.274 715 HE2 HIS 97 2HE HIS 97 -5.196 10.456 -5.127 716 H SER 98 H SER 98 -7.229 3.040 -5.990 717 HA SER 98 HA SER 98 -7.391 4.097 -8.729 718 HB2 SER 98 1HB SER 98 -5.823 1.773 -7.729 719 HB3 SER 98 2HB SER 98 -6.635 1.592 -9.284 720 HG SER 98 HG SER 98 -4.427 2.484 -9.304 721 H GLN 99 H GLN 99 -8.803 2.879 -10.147 722 HA GLN 99 HA GLN 99 -10.980 1.591 -8.648 723 HB2 GLN 99 1HB GLN 99 -11.271 3.736 -10.137 724 HB3 GLN 99 2HB GLN 99 -11.294 2.573 -11.456 725 HG2 GLN 99 1HG GLN 99 -13.514 2.680 -11.031 726 HG3 GLN 99 2HG GLN 99 -13.079 1.394 -9.907 727 HE21 GLN 99 1HE2 GLN 99 -13.257 4.935 -10.036 728 HE22 GLN 99 2HE2 GLN 99 -13.915 5.131 -8.451 729 H THR 100 H THR 100 -10.500 -0.543 -8.643 730 HA THR 100 HA THR 100 -9.234 -1.974 -10.683 731 HB THR 100 HB THR 100 -9.927 -3.981 -9.575 732 HG1 THR 100 1HG THR 100 -11.552 -3.806 -7.870 733 HG21 THR 100 1HG2 THR 100 -8.846 -3.638 -7.603 734 HG22 THR 100 2HG2 THR 100 -9.807 -2.216 -7.198 735 HG23 THR 100 3HG2 THR 100 -8.483 -2.085 -8.355 736 H GLN 101 H GLN 101 -12.667 -1.396 -10.062 737 HA GLN 101 HA GLN 101 -13.309 -2.726 -12.605 738 HB2 GLN 101 1HB GLN 101 -14.417 -3.275 -10.256 739 HB3 GLN 101 2HB GLN 101 -15.435 -1.906 -10.683 740 HG2 GLN 101 1HG GLN 101 -16.659 -3.635 -11.532 741 HG3 GLN 101 2HG GLN 101 -15.702 -3.186 -12.943 742 HE21 GLN 101 1HE2 GLN 101 -16.914 -5.750 -11.589 743 HE22 GLN 101 2HE2 GLN 101 -15.663 -6.915 -11.840 744 H LEU 102 H LEU 102 -15.003 -1.732 -13.933 745 HA LEU 102 HA LEU 102 -15.368 0.081 -15.332 746 HB2 LEU 102 1HB LEU 102 -16.896 1.710 -14.173 747 HB3 LEU 102 2HB LEU 102 -17.372 0.015 -14.101 748 HG LEU 102 HG LEU 102 -15.823 1.118 -11.816 749 HD11 LEU 102 1HD1 LEU 102 -18.350 1.609 -10.996 750 HD12 LEU 102 2HD1 LEU 102 -18.451 2.108 -12.684 751 HD13 LEU 102 3HD1 LEU 102 -17.252 2.841 -11.619 752 HD21 LEU 102 1HD2 LEU 102 -18.269 -0.596 -11.701 753 HD22 LEU 102 2HD2 LEU 102 -16.884 -0.541 -10.610 754 HD23 LEU 102 3HD2 LEU 102 -16.726 -1.291 -12.199 755 H ASP 103 H ASP 103 -12.810 0.365 -14.847 756 HA ASP 103 HA ASP 103 -11.812 2.465 -13.384 757 HB2 ASP 103 1HB ASP 103 -10.970 1.423 -16.090 758 HB3 ASP 103 2HB ASP 103 -10.047 2.631 -15.200 759 H SER 104 H SER 104 -12.327 4.539 -13.324 760 HA SER 104 HA SER 104 -13.704 5.768 -15.570 761 HB2 SER 104 1HB SER 104 -14.404 6.046 -13.132 762 HB3 SER 104 2HB SER 104 -12.994 7.090 -12.951 763 HG SER 104 HG SER 104 -13.984 8.614 -14.022 764 H GLY 105 H GLY 105 -12.103 6.019 -17.126 765 HA2 GLY 105 1HA GLY 105 -9.566 7.190 -16.584 766 HA3 GLY 105 2HA GLY 105 -10.283 6.959 -18.172 767 HA PRO 106 HA PRO 106 -10.517 11.479 -16.507 768 HB2 PRO 106 1HB PRO 106 -8.118 12.474 -17.296 769 HB3 PRO 106 2HB PRO 106 -8.391 11.786 -15.692 770 HG2 PRO 106 1HG PRO 106 -7.143 10.528 -18.104 771 HG3 PRO 106 2HG PRO 106 -6.627 10.451 -16.409 772 HD2 PRO 106 1HD PRO 106 -7.993 8.444 -17.608 773 HD3 PRO 106 2HD PRO 106 -8.169 8.821 -15.883 774 H SER 107 H SER 107 -10.351 13.461 -17.918 775 HA SER 107 HA SER 107 -10.481 12.757 -20.774 776 HB2 SER 107 1HB SER 107 -12.431 14.351 -19.127 777 HB3 SER 107 2HB SER 107 -12.302 14.597 -20.868 778 HG SER 107 HG SER 107 -13.809 12.878 -19.821 779 H SER 108 H SER 108 -9.019 13.843 -21.894 780 HA SER 108 HA SER 108 -7.338 15.349 -22.332 781 HB2 SER 108 1HB SER 108 -8.211 17.627 -22.725 782 HB3 SER 108 2HB SER 108 -9.295 16.394 -23.369 783 HG SER 108 HG SER 108 -9.948 18.307 -21.756 784 H GLY 109 H GLY 109 -7.186 14.534 -19.674 785 HA2 GLY 109 1HA GLY 109 -7.209 16.288 -17.620 786 HA3 GLY 109 2HA GLY 109 -5.892 15.148 -17.856 Start of MODEL 9 1 H1 GLY 1 H GLY 1 12.153 24.055 -1.616 2 HA2 GLY 1 1HA GLY 1 14.495 23.814 -1.021 3 HA3 GLY 1 2HA GLY 1 14.354 25.301 -0.095 4 H SER 2 H SER 2 13.381 21.912 -0.219 5 HA SER 2 HA SER 2 12.211 21.872 2.374 6 HB2 SER 2 1HB SER 2 12.263 19.422 2.128 7 HB3 SER 2 2HB SER 2 11.643 20.196 0.670 8 HG SER 2 HG SER 2 13.297 18.481 0.417 9 H SER 3 H SER 3 13.172 21.857 4.288 10 HA SER 3 HA SER 3 16.032 21.165 4.414 11 HB2 SER 3 1HB SER 3 15.149 23.539 5.048 12 HB3 SER 3 2HB SER 3 14.623 22.755 6.538 13 HG SER 3 HG SER 3 17.234 22.274 5.700 14 H GLY 4 H GLY 4 12.924 20.827 6.077 15 HA2 GLY 4 1HA GLY 4 13.995 19.024 8.056 16 HA3 GLY 4 2HA GLY 4 12.304 19.445 7.831 17 H SER 5 H SER 5 14.264 16.908 7.874 18 HA SER 5 HA SER 5 12.475 15.307 6.263 19 HB2 SER 5 1HB SER 5 14.319 14.283 4.937 20 HB3 SER 5 2HB SER 5 14.063 15.985 4.555 21 HG SER 5 HG SER 5 15.794 16.145 6.386 22 H SER 6 H SER 6 12.531 13.112 6.782 23 HA SER 6 HA SER 6 14.444 12.241 8.815 24 HB2 SER 6 1HB SER 6 11.439 12.071 9.144 25 HB3 SER 6 2HB SER 6 12.618 11.303 10.208 26 HG SER 6 HG SER 6 13.429 13.694 10.214 27 H GLY 7 H GLY 7 14.581 9.938 9.050 28 HA2 GLY 7 1HA GLY 7 14.908 7.895 8.018 29 HA3 GLY 7 2HA GLY 7 13.158 7.955 7.873 30 HA PRO 8 HA PRO 8 14.896 7.574 3.609 31 HB2 PRO 8 1HB PRO 8 13.072 5.737 2.788 32 HB3 PRO 8 2HB PRO 8 14.566 5.300 3.626 33 HG2 PRO 8 1HG PRO 8 11.793 5.578 4.719 34 HG3 PRO 8 2HG PRO 8 13.004 4.325 5.046 35 HD2 PRO 8 1HD PRO 8 12.541 6.382 6.745 36 HD3 PRO 8 2HD PRO 8 14.144 5.643 6.555 37 HA PRO 9 HA PRO 9 11.985 10.170 1.579 38 HB2 PRO 9 1HB PRO 9 12.052 9.263 -0.979 39 HB3 PRO 9 2HB PRO 9 13.382 10.166 -0.245 40 HG2 PRO 9 1HG PRO 9 13.083 7.212 -0.632 41 HG3 PRO 9 2HG PRO 9 14.508 8.236 -0.889 42 HD2 PRO 9 1HD PRO 9 14.184 6.720 1.331 43 HD3 PRO 9 2HD PRO 9 15.040 8.276 1.353 44 H ALA 10 H ALA 10 9.834 10.312 1.152 45 HA ALA 10 HA ALA 10 8.115 8.211 1.764 46 HB1 ALA 10 1HB ALA 10 6.688 9.964 0.092 47 HB2 ALA 10 2HB ALA 10 6.733 9.944 1.855 48 HB3 ALA 10 3HB ALA 10 7.872 10.946 0.956 49 H VAL 11 H VAL 11 7.643 6.424 0.682 50 HA VAL 11 HA VAL 11 8.552 5.603 -1.731 51 HB VAL 11 HB VAL 11 5.801 4.939 -0.673 52 HG11 VAL 11 1HG1 VAL 11 5.782 3.090 -2.052 53 HG12 VAL 11 2HG1 VAL 11 6.571 4.290 -3.079 54 HG13 VAL 11 3HG1 VAL 11 7.536 3.077 -2.236 55 HG21 VAL 11 1HG2 VAL 11 6.850 4.041 1.071 56 HG22 VAL 11 2HG2 VAL 11 7.581 2.886 -0.044 57 HG23 VAL 11 3HG2 VAL 11 8.432 4.375 0.367 58 H SER 12 H SER 12 8.490 6.636 -3.616 59 HA SER 12 HA SER 12 5.978 7.942 -4.426 60 HB2 SER 12 1HB SER 12 7.360 9.305 -5.950 61 HB3 SER 12 2HB SER 12 7.886 9.476 -4.275 62 HG SER 12 HG SER 12 9.708 9.153 -5.477 63 H ASP 13 H ASP 13 5.952 8.100 -6.986 64 HA ASP 13 HA ASP 13 5.318 6.879 -8.819 65 HB2 ASP 13 1HB ASP 13 8.137 5.935 -8.296 66 HB3 ASP 13 2HB ASP 13 7.238 5.486 -9.743 67 H ILE 14 H ILE 14 4.049 5.795 -6.746 68 HA ILE 14 HA ILE 14 4.612 2.979 -6.481 69 HB ILE 14 HB ILE 14 2.250 4.601 -5.526 70 HG12 ILE 14 1HG1 ILE 14 4.563 3.494 -3.930 71 HG13 ILE 14 2HG1 ILE 14 4.527 5.137 -4.561 72 HG21 ILE 14 1HG2 ILE 14 1.698 2.694 -4.131 73 HG22 ILE 14 2HG2 ILE 14 1.705 2.226 -5.830 74 HG23 ILE 14 3HG2 ILE 14 3.062 1.792 -4.791 75 HD11 ILE 14 1HD1 ILE 14 2.378 5.443 -3.280 76 HD12 ILE 14 2HD1 ILE 14 2.740 3.908 -2.490 77 HD13 ILE 14 3HD1 ILE 14 3.845 5.271 -2.317 78 H ARG 15 H ARG 15 4.338 1.904 -8.376 79 HA ARG 15 HA ARG 15 1.884 2.307 -9.907 80 HB2 ARG 15 1HB ARG 15 3.878 2.255 -11.235 81 HB3 ARG 15 2HB ARG 15 4.413 0.762 -10.476 82 HG2 ARG 15 1HG ARG 15 2.638 -0.471 -11.534 83 HG3 ARG 15 2HG ARG 15 1.955 1.016 -12.195 84 HD2 ARG 15 1HD ARG 15 4.752 0.099 -12.812 85 HD3 ARG 15 2HD ARG 15 3.357 -0.398 -13.770 86 HE ARG 15 HE ARG 15 3.538 2.442 -13.457 87 HH11 ARG 15 2HH1 ARG 15 4.682 -0.286 -15.292 88 HH12 ARG 15 1HH1 ARG 15 5.057 0.652 -16.700 89 HH21 ARG 15 2HH2 ARG 15 4.028 3.688 -15.303 90 HH22 ARG 15 1HH2 ARG 15 4.685 2.913 -16.705 91 H VAL 16 H VAL 16 0.310 0.786 -10.151 92 HA VAL 16 HA VAL 16 0.593 -1.668 -8.539 93 HB VAL 16 HB VAL 16 -1.061 -0.342 -7.480 94 HG11 VAL 16 1HG1 VAL 16 -2.423 0.008 -10.147 95 HG12 VAL 16 2HG1 VAL 16 -2.907 0.717 -8.606 96 HG13 VAL 16 3HG1 VAL 16 -1.401 1.220 -9.376 97 HG21 VAL 16 1HG2 VAL 16 -2.411 -2.370 -9.259 98 HG22 VAL 16 2HG2 VAL 16 -1.687 -2.670 -7.679 99 HG23 VAL 16 3HG2 VAL 16 -3.126 -1.659 -7.812 100 H THR 17 H THR 17 0.507 -3.517 -9.621 101 HA THR 17 HA THR 17 -0.740 -3.524 -12.292 102 HB THR 17 HB THR 17 1.731 -3.845 -12.323 103 HG1 THR 17 1HG THR 17 0.633 -4.764 -14.020 104 HG21 THR 17 1HG2 THR 17 2.005 -5.022 -10.211 105 HG22 THR 17 2HG2 THR 17 2.636 -5.999 -11.537 106 HG23 THR 17 3HG2 THR 17 1.068 -6.383 -10.826 107 H ARG 18 H ARG 18 -1.409 -5.788 -12.987 108 HA ARG 18 HA ARG 18 -2.761 -7.596 -12.716 109 HB2 ARG 18 1HB ARG 18 -1.205 -7.611 -10.155 110 HB3 ARG 18 2HB ARG 18 -2.539 -8.737 -10.370 111 HG2 ARG 18 1HG ARG 18 -0.344 -8.519 -12.396 112 HG3 ARG 18 2HG ARG 18 -0.179 -9.526 -10.957 113 HD2 ARG 18 1HD ARG 18 -2.453 -10.518 -11.676 114 HD3 ARG 18 2HD ARG 18 -2.095 -9.796 -13.245 115 HE ARG 18 HE ARG 18 0.098 -11.336 -12.324 116 HH11 ARG 18 2HH1 ARG 18 -3.088 -11.627 -13.697 117 HH12 ARG 18 1HH1 ARG 18 -2.768 -13.155 -14.447 118 HH21 ARG 18 2HH2 ARG 18 0.532 -13.348 -13.307 119 HH22 ARG 18 1HH2 ARG 18 -0.708 -14.133 -14.225 120 H SER 19 H SER 19 -4.160 -5.388 -12.602 121 HA SER 19 HA SER 19 -5.572 -4.931 -10.177 122 HB2 SER 19 1HB SER 19 -7.090 -3.569 -11.577 123 HB3 SER 19 2HB SER 19 -5.396 -3.191 -11.886 124 HG SER 19 HG SER 19 -7.048 -3.677 -13.710 125 H SER 20 H SER 20 -6.415 -6.854 -9.418 126 HA SER 20 HA SER 20 -8.558 -8.042 -11.058 127 HB2 SER 20 1HB SER 20 -7.208 -9.566 -8.856 128 HB3 SER 20 2HB SER 20 -8.031 -10.176 -10.291 129 HG SER 20 HG SER 20 -6.259 -9.282 -11.515 130 HA PRO 21 HA PRO 21 -11.456 -7.044 -7.916 131 HB2 PRO 21 1HB PRO 21 -13.187 -9.125 -8.121 132 HB3 PRO 21 2HB PRO 21 -13.081 -7.841 -9.331 133 HG2 PRO 21 1HG PRO 21 -11.885 -10.585 -9.371 134 HG3 PRO 21 2HG PRO 21 -12.694 -9.698 -10.675 135 HD2 PRO 21 1HD PRO 21 -9.999 -9.879 -10.491 136 HD3 PRO 21 2HD PRO 21 -10.816 -8.455 -11.167 137 H SER 22 H SER 22 -11.253 -7.188 -5.779 138 HA SER 22 HA SER 22 -11.121 -8.065 -3.672 139 HB2 SER 22 1HB SER 22 -12.625 -9.885 -4.675 140 HB3 SER 22 2HB SER 22 -11.153 -10.840 -4.854 141 HG SER 22 HG SER 22 -12.296 -11.212 -2.863 142 H SER 23 H SER 23 -8.844 -7.592 -5.512 143 HA SER 23 HA SER 23 -6.759 -8.430 -3.813 144 HB2 SER 23 1HB SER 23 -5.593 -9.883 -5.597 145 HB3 SER 23 2HB SER 23 -6.898 -10.620 -4.668 146 HG SER 23 HG SER 23 -6.786 -10.671 -7.179 147 H LEU 24 H LEU 24 -5.087 -7.080 -4.073 148 HA LEU 24 HA LEU 24 -4.672 -5.803 -6.679 149 HB2 LEU 24 1HB LEU 24 -4.930 -4.368 -4.042 150 HB3 LEU 24 2HB LEU 24 -4.323 -3.627 -5.522 151 HG LEU 24 HG LEU 24 -7.051 -4.854 -5.475 152 HD11 LEU 24 1HD1 LEU 24 -6.974 -1.983 -4.967 153 HD12 LEU 24 2HD1 LEU 24 -6.368 -2.955 -3.627 154 HD13 LEU 24 3HD1 LEU 24 -7.991 -3.236 -4.256 155 HD21 LEU 24 1HD2 LEU 24 -5.980 -2.449 -6.936 156 HD22 LEU 24 2HD2 LEU 24 -7.482 -3.322 -7.244 157 HD23 LEU 24 3HD2 LEU 24 -5.930 -4.089 -7.584 158 H SER 25 H SER 25 -2.614 -5.916 -7.268 159 HA SER 25 HA SER 25 -0.601 -6.549 -5.237 160 HB2 SER 25 1HB SER 25 -0.410 -6.713 -8.255 161 HB3 SER 25 2HB SER 25 0.799 -7.287 -7.105 162 HG SER 25 HG SER 25 -1.262 -8.499 -6.298 163 H LEU 26 H LEU 26 0.441 -4.862 -4.419 164 HA LEU 26 HA LEU 26 0.871 -2.485 -6.070 165 HB2 LEU 26 1HB LEU 26 1.267 -2.924 -3.114 166 HB3 LEU 26 2HB LEU 26 1.503 -1.395 -3.958 167 HG LEU 26 HG LEU 26 -1.166 -2.708 -4.120 168 HD11 LEU 26 1HD1 LEU 26 -0.366 -1.015 -1.768 169 HD12 LEU 26 2HD1 LEU 26 -0.410 -2.777 -1.717 170 HD13 LEU 26 3HD1 LEU 26 -1.887 -1.867 -2.032 171 HD21 LEU 26 1HD2 LEU 26 -1.481 -0.793 -5.215 172 HD22 LEU 26 2HD2 LEU 26 0.040 -0.117 -4.632 173 HD23 LEU 26 3HD2 LEU 26 -1.415 0.000 -3.641 174 H ALA 27 H ALA 27 2.902 -1.597 -6.422 175 HA ALA 27 HA ALA 27 5.267 -2.895 -5.380 176 HB1 ALA 27 1HB ALA 27 4.702 -4.342 -7.267 177 HB2 ALA 27 2HB ALA 27 4.712 -2.945 -8.345 178 HB3 ALA 27 3HB ALA 27 6.203 -3.463 -7.559 179 H TRP 28 H TRP 28 6.782 -1.406 -5.042 180 HA TRP 28 HA TRP 28 6.582 1.135 -6.518 181 HB2 TRP 28 1HB TRP 28 8.047 1.859 -4.405 182 HB3 TRP 28 2HB TRP 28 6.286 1.849 -4.367 183 HD1 TRP 28 HD TRP 28 9.101 0.743 -2.371 184 HE1 TRP 28 1HE TRP 28 8.418 -1.095 -0.703 185 HE3 TRP 28 3HE TRP 28 4.573 -0.530 -4.375 186 HZ2 TRP 28 2HZ TRP 28 6.247 -2.852 -0.292 187 HZ3 TRP 28 3HZ TRP 28 3.256 -2.299 -3.284 188 HH2 TRP 28 HH TRP 28 4.078 -3.435 -1.286 189 H ALA 29 H ALA 29 8.734 2.331 -6.617 190 HA ALA 29 HA ALA 29 10.724 0.474 -7.671 191 HB1 ALA 29 1HB ALA 29 10.418 2.104 -9.249 192 HB2 ALA 29 2HB ALA 29 10.141 3.369 -8.051 193 HB3 ALA 29 3HB ALA 29 11.777 2.785 -8.353 194 H VAL 30 H VAL 30 12.394 -0.137 -6.479 195 HA VAL 30 HA VAL 30 13.027 0.375 -3.948 196 HB VAL 30 HB VAL 30 15.122 0.203 -6.119 197 HG11 VAL 30 1HG1 VAL 30 15.218 -0.144 -3.142 198 HG12 VAL 30 2HG1 VAL 30 16.391 -0.934 -4.197 199 HG13 VAL 30 3HG1 VAL 30 16.262 0.826 -4.180 200 HG21 VAL 30 1HG2 VAL 30 14.509 -2.210 -4.603 201 HG22 VAL 30 2HG2 VAL 30 13.147 -1.626 -5.559 202 HG23 VAL 30 3HG2 VAL 30 14.687 -1.980 -6.342 203 HA PRO 31 HA PRO 31 13.652 4.870 -4.218 204 HB2 PRO 31 1HB PRO 31 13.124 5.305 -1.590 205 HB3 PRO 31 2HB PRO 31 11.856 5.132 -2.809 206 HG2 PRO 31 1HG PRO 31 12.912 3.108 -0.872 207 HG3 PRO 31 2HG PRO 31 11.233 3.447 -1.332 208 HD2 PRO 31 1HD PRO 31 12.631 1.365 -2.354 209 HD3 PRO 31 2HD PRO 31 11.389 2.228 -3.283 210 H ARG 32 H ARG 32 15.422 6.081 -3.714 211 HA ARG 32 HA ARG 32 17.704 4.710 -2.633 212 HB2 ARG 32 1HB ARG 32 17.352 7.570 -3.548 213 HB3 ARG 32 2HB ARG 32 18.888 6.845 -3.096 214 HG2 ARG 32 1HG ARG 32 18.299 5.094 -4.923 215 HG3 ARG 32 2HG ARG 32 17.194 6.345 -5.499 216 HD2 ARG 32 1HD ARG 32 20.132 6.786 -4.998 217 HD3 ARG 32 2HD ARG 32 19.453 6.371 -6.571 218 HE ARG 32 HE ARG 32 18.035 8.554 -5.859 219 HH11 ARG 32 2HH1 ARG 32 21.447 7.875 -5.987 220 HH12 ARG 32 1HH1 ARG 32 21.893 9.513 -6.333 221 HH21 ARG 32 2HH2 ARG 32 18.609 10.714 -6.314 222 HH22 ARG 32 1HH2 ARG 32 20.277 11.127 -6.518 223 H ALA 33 H ALA 33 18.523 4.825 -0.633 224 HA ALA 33 HA ALA 33 17.247 6.688 1.259 225 HB1 ALA 33 1HB ALA 33 16.978 4.995 2.669 226 HB2 ALA 33 2HB ALA 33 17.519 3.911 1.386 227 HB3 ALA 33 3HB ALA 33 18.681 4.552 2.547 228 HA PRO 34 HA PRO 34 21.118 8.705 1.835 229 HB2 PRO 34 1HB PRO 34 20.703 9.741 4.310 230 HB3 PRO 34 2HB PRO 34 19.923 10.379 2.858 231 HG2 PRO 34 1HG PRO 34 18.832 8.514 4.929 232 HG3 PRO 34 2HG PRO 34 18.048 9.899 4.147 233 HD2 PRO 34 1HD PRO 34 17.579 7.342 3.390 234 HD3 PRO 34 2HD PRO 34 17.540 8.699 2.246 235 H SER 35 H SER 35 20.207 5.945 3.441 236 HA SER 35 HA SER 35 22.895 5.522 4.436 237 HB2 SER 35 1HB SER 35 21.936 6.507 6.406 238 HB3 SER 35 2HB SER 35 20.488 5.509 6.266 239 HG SER 35 HG SER 35 23.099 4.747 7.012 240 H GLY 36 H GLY 36 23.498 3.410 4.366 241 HA2 GLY 36 1HA GLY 36 23.361 1.293 3.404 242 HA3 GLY 36 2HA GLY 36 22.210 1.101 4.718 243 H ALA 37 H ALA 37 20.777 -0.247 3.731 244 HA ALA 37 HA ALA 37 19.490 0.753 1.275 245 HB1 ALA 37 1HB ALA 37 19.371 -1.339 0.451 246 HB2 ALA 37 2HB ALA 37 20.705 -1.636 1.566 247 HB3 ALA 37 3HB ALA 37 19.057 -2.059 2.030 248 H VAL 38 H VAL 38 17.184 0.378 1.065 249 HA VAL 38 HA VAL 38 15.758 1.143 3.399 250 HB VAL 38 HB VAL 38 14.637 0.139 0.779 251 HG11 VAL 38 1HG1 VAL 38 13.326 0.614 3.154 252 HG12 VAL 38 2HG1 VAL 38 13.113 2.123 2.265 253 HG13 VAL 38 3HG1 VAL 38 12.593 0.596 1.551 254 HG21 VAL 38 1HG2 VAL 38 14.381 2.913 0.927 255 HG22 VAL 38 2HG2 VAL 38 16.032 2.574 1.446 256 HG23 VAL 38 3HG2 VAL 38 15.465 1.998 -0.122 257 H LEU 39 H LEU 39 14.890 -0.076 4.939 258 HA LEU 39 HA LEU 39 15.037 -2.944 4.780 259 HB2 LEU 39 1HB LEU 39 13.824 -1.200 6.918 260 HB3 LEU 39 2HB LEU 39 14.205 -2.915 7.062 261 HG LEU 39 HG LEU 39 16.363 -0.914 6.494 262 HD11 LEU 39 1HD1 LEU 39 15.552 -1.729 9.269 263 HD12 LEU 39 2HD1 LEU 39 14.982 -0.241 8.515 264 HD13 LEU 39 3HD1 LEU 39 16.707 -0.489 8.780 265 HD21 LEU 39 1HD2 LEU 39 17.760 -2.584 7.562 266 HD22 LEU 39 2HD2 LEU 39 16.835 -3.314 6.250 267 HD23 LEU 39 3HD2 LEU 39 16.343 -3.570 7.925 268 H ASP 40 H ASP 40 12.918 -3.978 5.986 269 HA ASP 40 HA ASP 40 11.022 -4.400 4.094 270 HB2 ASP 40 1HB ASP 40 10.157 -4.240 6.964 271 HB3 ASP 40 2HB ASP 40 9.703 -5.415 5.732 272 H TYR 41 H TYR 41 8.774 -3.720 3.894 273 HA TYR 41 HA TYR 41 8.456 -0.855 4.503 274 HB2 TYR 41 1HB TYR 41 7.213 -2.410 2.226 275 HB3 TYR 41 2HB TYR 41 7.083 -0.676 2.502 276 HD1 TYR 41 1HD TYR 41 9.739 -3.279 2.088 277 HD2 TYR 41 2HD TYR 41 8.469 0.700 1.277 278 HE1 TYR 41 1HE TYR 41 11.757 -2.918 0.729 279 HE2 TYR 41 2HE TYR 41 10.483 1.072 -0.085 280 HH TYR 41 HH TYR 41 12.195 -0.954 -1.428 281 H GLU 42 H GLU 42 6.087 -0.175 4.544 282 HA GLU 42 HA GLU 42 4.449 -2.235 5.864 283 HB2 GLU 42 1HB GLU 42 5.591 -0.402 7.351 284 HB3 GLU 42 2HB GLU 42 4.306 0.626 6.734 285 HG2 GLU 42 1HG GLU 42 2.633 -0.673 7.731 286 HG3 GLU 42 2HG GLU 42 3.732 -2.021 8.016 287 H VAL 43 H VAL 43 2.516 -2.490 4.968 288 HA VAL 43 HA VAL 43 1.551 -0.446 3.100 289 HB VAL 43 HB VAL 43 0.677 -3.318 3.449 290 HG11 VAL 43 1HG1 VAL 43 -0.029 -1.716 1.052 291 HG12 VAL 43 2HG1 VAL 43 -0.907 -3.030 1.836 292 HG13 VAL 43 3HG1 VAL 43 -0.930 -1.412 2.537 293 HG21 VAL 43 1HG2 VAL 43 2.543 -3.742 2.294 294 HG22 VAL 43 2HG2 VAL 43 1.704 -3.028 0.916 295 HG23 VAL 43 3HG2 VAL 43 2.788 -2.041 1.896 296 H LYS 44 H LYS 44 -0.345 0.609 3.368 297 HA LYS 44 HA LYS 44 -2.122 -0.207 5.552 298 HB2 LYS 44 1HB LYS 44 -0.721 1.486 6.545 299 HB3 LYS 44 2HB LYS 44 -0.961 2.556 5.170 300 HG2 LYS 44 1HG LYS 44 -3.330 2.757 5.741 301 HG3 LYS 44 2HG LYS 44 -3.082 1.692 7.127 302 HD2 LYS 44 1HD LYS 44 -1.297 3.388 7.857 303 HD3 LYS 44 2HD LYS 44 -2.042 4.474 6.681 304 HE2 LYS 44 1HE LYS 44 -3.651 3.079 8.799 305 HE3 LYS 44 2HE LYS 44 -2.843 4.615 9.107 306 HZ1 LYS 44 1HZ LYS 44 -4.098 5.210 6.863 307 HZ2 LYS 44 2HZ LYS 44 -4.814 5.407 8.383 308 HZ3 LYS 44 3HZ LYS 44 -5.170 4.040 7.452 309 H TYR 45 H TYR 45 -4.024 -0.553 4.621 310 HA TYR 45 HA TYR 45 -4.979 1.392 2.627 311 HB2 TYR 45 1HB TYR 45 -6.206 -0.535 1.559 312 HB3 TYR 45 2HB TYR 45 -4.454 -0.586 1.393 313 HD1 TYR 45 2HD TYR 45 -3.143 -2.109 2.936 314 HD2 TYR 45 1HD TYR 45 -7.377 -2.308 2.569 315 HE1 TYR 45 2HE TYR 45 -3.114 -4.372 3.900 316 HE2 TYR 45 1HE TYR 45 -7.360 -4.571 3.532 317 HH TYR 45 HH TYR 45 -4.330 -6.095 4.588 318 H HIS 46 H HIS 46 -7.123 1.980 2.733 319 HA HIS 46 HA HIS 46 -8.963 0.668 4.511 320 HB2 HIS 46 1HB HIS 46 -9.181 2.278 6.174 321 HB3 HIS 46 2HB HIS 46 -7.439 2.247 5.916 322 HD1 HIS 46 1HD HIS 46 -6.914 4.114 3.719 323 HD2 HIS 46 2HD HIS 46 -9.919 4.847 6.492 324 HE1 HIS 46 1HE HIS 46 -7.321 6.594 3.630 325 HE2 HIS 46 2HE HIS 46 -9.083 7.026 5.377 326 H GLU 47 H GLU 47 -11.032 1.024 3.909 327 HA GLU 47 HA GLU 47 -11.626 2.181 1.452 328 HB2 GLU 47 1HB GLU 47 -13.005 0.513 2.813 329 HB3 GLU 47 2HB GLU 47 -13.629 1.906 3.685 330 HG2 GLU 47 1HG GLU 47 -14.567 2.816 1.669 331 HG3 GLU 47 2HG GLU 47 -13.829 1.537 0.706 332 H LYS 48 H LYS 48 -12.700 4.091 0.856 333 HA LYS 48 HA LYS 48 -11.807 6.444 2.008 334 HB2 LYS 48 1HB LYS 48 -12.841 6.064 -0.306 335 HB3 LYS 48 2HB LYS 48 -14.400 6.254 0.485 336 HG2 LYS 48 1HG LYS 48 -14.012 8.382 -0.267 337 HG3 LYS 48 2HG LYS 48 -13.362 8.475 1.372 338 HD2 LYS 48 1HD LYS 48 -11.107 7.955 0.410 339 HD3 LYS 48 2HD LYS 48 -11.822 8.117 -1.195 340 HE2 LYS 48 1HE LYS 48 -10.854 10.209 -0.731 341 HE3 LYS 48 2HE LYS 48 -12.582 10.425 -0.457 342 HZ1 LYS 48 1HZ LYS 48 -11.594 11.424 1.370 343 HZ2 LYS 48 2HZ LYS 48 -10.412 10.224 1.533 344 HZ3 LYS 48 3HZ LYS 48 -12.015 9.897 1.964 345 H GLY 49 H GLY 49 -15.206 5.342 2.083 346 HA2 GLY 49 1HA GLY 49 -15.634 6.978 4.468 347 HA3 GLY 49 2HA GLY 49 -16.882 6.216 3.494 348 H ALA 50 H ALA 50 -14.002 4.980 5.191 349 HA ALA 50 HA ALA 50 -15.160 2.550 5.944 350 HB1 ALA 50 1HB ALA 50 -13.312 2.633 7.760 351 HB2 ALA 50 2HB ALA 50 -12.850 2.572 6.059 352 HB3 ALA 50 3HB ALA 50 -12.804 4.104 6.931 353 H GLU 51 H GLU 51 -15.285 1.913 8.378 354 HA GLU 51 HA GLU 51 -17.111 3.830 9.655 355 HB2 GLU 51 1HB GLU 51 -16.864 0.832 9.903 356 HB3 GLU 51 2HB GLU 51 -17.883 1.805 10.955 357 HG2 GLU 51 1HG GLU 51 -18.871 2.665 8.689 358 HG3 GLU 51 2HG GLU 51 -18.208 1.154 8.070 359 H GLY 52 H GLY 52 -15.329 5.037 10.550 360 HA2 GLY 52 1HA GLY 52 -13.857 5.596 12.222 361 HA3 GLY 52 2HA GLY 52 -14.782 4.476 13.212 362 HA PRO 53 HA PRO 53 -10.552 2.761 13.172 363 HB2 PRO 53 1HB PRO 53 -10.752 1.667 15.649 364 HB3 PRO 53 2HB PRO 53 -10.324 3.360 15.379 365 HG2 PRO 53 1HG PRO 53 -12.971 2.169 16.112 366 HG3 PRO 53 2HG PRO 53 -12.185 3.626 16.748 367 HD2 PRO 53 1HD PRO 53 -14.148 3.725 14.885 368 HD3 PRO 53 2HD PRO 53 -12.830 4.913 14.947 369 H SER 54 H SER 54 -10.033 0.387 14.273 370 HA SER 54 HA SER 54 -10.096 -1.824 13.677 371 HB2 SER 54 1HB SER 54 -12.974 -1.384 14.511 372 HB3 SER 54 2HB SER 54 -12.195 -2.959 14.360 373 HG SER 54 HG SER 54 -11.780 -0.936 16.257 374 H SER 55 H SER 55 -10.458 -0.042 11.467 375 HA SER 55 HA SER 55 -12.069 -1.773 9.713 376 HB2 SER 55 1HB SER 55 -12.074 1.207 9.957 377 HB3 SER 55 2HB SER 55 -12.331 0.489 8.366 378 HG SER 55 HG SER 55 -13.793 -0.566 10.485 379 H VAL 56 H VAL 56 -9.286 0.326 10.097 380 HA VAL 56 HA VAL 56 -8.293 -0.212 7.433 381 HB VAL 56 HB VAL 56 -7.849 1.969 8.401 382 HG11 VAL 56 1HG1 VAL 56 -6.184 2.106 10.305 383 HG12 VAL 56 2HG1 VAL 56 -7.806 1.554 10.727 384 HG13 VAL 56 3HG1 VAL 56 -6.489 0.390 10.571 385 HG21 VAL 56 1HG2 VAL 56 -5.152 0.716 8.435 386 HG22 VAL 56 2HG2 VAL 56 -6.120 0.579 6.968 387 HG23 VAL 56 3HG2 VAL 56 -5.712 2.170 7.610 388 H ARG 57 H ARG 57 -6.727 -1.630 6.863 389 HA ARG 57 HA ARG 57 -5.667 -3.366 8.995 390 HB2 ARG 57 1HB ARG 57 -6.520 -3.959 6.177 391 HB3 ARG 57 2HB ARG 57 -5.383 -5.009 7.009 392 HG2 ARG 57 1HG ARG 57 -7.204 -5.010 8.882 393 HG3 ARG 57 2HG ARG 57 -8.268 -4.525 7.560 394 HD2 ARG 57 1HD ARG 57 -7.202 -6.524 6.302 395 HD3 ARG 57 2HD ARG 57 -6.714 -7.060 7.909 396 HE ARG 57 HE ARG 57 -9.493 -6.417 7.782 397 HH11 ARG 57 2HH1 ARG 57 -7.141 -8.879 7.055 398 HH12 ARG 57 1HH1 ARG 57 -8.280 -10.181 7.158 399 HH21 ARG 57 2HH2 ARG 57 -11.001 -8.122 7.920 400 HH22 ARG 57 1HH2 ARG 57 -10.475 -9.749 7.649 401 H PHE 58 H PHE 58 -3.532 -4.308 8.583 402 HA PHE 58 HA PHE 58 -1.839 -2.592 6.893 403 HB2 PHE 58 1HB PHE 58 -1.504 -3.359 9.766 404 HB3 PHE 58 2HB PHE 58 -0.071 -3.118 8.772 405 HD1 PHE 58 2HD PHE 58 -3.339 -1.379 9.276 406 HD2 PHE 58 1HD PHE 58 0.896 -1.061 8.995 407 HE1 PHE 58 2HE PHE 58 -3.501 1.048 9.640 408 HE2 PHE 58 1HE PHE 58 0.741 1.367 9.359 409 HZ PHE 58 HZ PHE 58 -1.459 2.425 9.681 410 H LEU 59 H LEU 59 0.153 -3.574 6.172 411 HA LEU 59 HA LEU 59 0.382 -6.462 6.439 412 HB2 LEU 59 1HB LEU 59 -1.006 -6.474 4.568 413 HB3 LEU 59 2HB LEU 59 -0.253 -5.035 3.884 414 HG LEU 59 HG LEU 59 1.838 -6.615 3.680 415 HD11 LEU 59 1HD1 LEU 59 -0.367 -8.639 3.432 416 HD12 LEU 59 2HD1 LEU 59 0.583 -8.450 4.905 417 HD13 LEU 59 3HD1 LEU 59 1.376 -8.901 3.396 418 HD21 LEU 59 1HD2 LEU 59 0.546 -7.498 1.484 419 HD22 LEU 59 2HD2 LEU 59 1.213 -5.873 1.646 420 HD23 LEU 59 3HD2 LEU 59 -0.502 -6.158 1.951 421 H LYS 60 H LYS 60 2.435 -6.815 6.922 422 HA LYS 60 HA LYS 60 4.480 -4.926 6.050 423 HB2 LYS 60 1HB LYS 60 4.284 -7.004 8.179 424 HB3 LYS 60 2HB LYS 60 5.882 -6.605 7.561 425 HG2 LYS 60 1HG LYS 60 5.754 -5.130 9.285 426 HG3 LYS 60 2HG LYS 60 5.057 -4.139 8.001 427 HD2 LYS 60 1HD LYS 60 3.498 -3.841 9.660 428 HD3 LYS 60 2HD LYS 60 2.811 -5.232 8.817 429 HE2 LYS 60 1HE LYS 60 4.709 -5.650 11.088 430 HE3 LYS 60 2HE LYS 60 3.023 -5.252 11.416 431 HZ1 LYS 60 1HZ LYS 60 3.087 -7.564 11.386 432 HZ2 LYS 60 2HZ LYS 60 4.115 -7.631 10.046 433 HZ3 LYS 60 3HZ LYS 60 2.499 -7.171 9.849 434 H THR 61 H THR 61 6.190 -5.442 4.747 435 HA THR 61 HA THR 61 6.523 -8.181 3.816 436 HB THR 61 HB THR 61 4.977 -7.504 2.167 437 HG1 THR 61 1HG THR 61 7.342 -8.149 1.511 438 HG21 THR 61 1HG2 THR 61 6.136 -4.882 2.615 439 HG22 THR 61 2HG2 THR 61 4.557 -5.318 1.963 440 HG23 THR 61 3HG2 THR 61 5.960 -5.240 0.898 441 H SER 62 H SER 62 8.594 -8.656 3.298 442 HA SER 62 HA SER 62 10.581 -6.594 3.771 443 HB2 SER 62 1HB SER 62 12.193 -8.410 3.802 444 HB3 SER 62 2HB SER 62 10.801 -8.860 4.786 445 HG SER 62 HG SER 62 10.230 -9.700 2.395 446 H GLU 63 H GLU 63 9.017 -6.337 1.383 447 HA GLU 63 HA GLU 63 11.192 -6.189 -0.534 448 HB2 GLU 63 1HB GLU 63 8.625 -7.631 -1.217 449 HB3 GLU 63 2HB GLU 63 9.963 -7.315 -2.313 450 HG2 GLU 63 1HG GLU 63 10.158 -9.007 0.167 451 HG3 GLU 63 2HG GLU 63 9.886 -9.635 -1.457 452 H ASN 64 H ASN 64 10.140 -5.267 -2.713 453 HA ASN 64 HA ASN 64 8.651 -2.891 -1.860 454 HB2 ASN 64 1HB ASN 64 9.561 -1.756 -3.714 455 HB3 ASN 64 2HB ASN 64 10.884 -2.755 -3.119 456 HD21 ASN 64 1HD2 ASN 64 10.883 -1.750 -5.670 457 HD22 ASN 64 2HD2 ASN 64 10.695 -3.043 -6.800 458 H ARG 65 H ARG 65 7.412 -5.523 -2.338 459 HA ARG 65 HA ARG 65 5.268 -4.603 -4.043 460 HB2 ARG 65 1HB ARG 65 5.298 -6.620 -5.478 461 HB3 ARG 65 2HB ARG 65 6.712 -5.601 -5.710 462 HG2 ARG 65 1HG ARG 65 8.116 -7.099 -4.577 463 HG3 ARG 65 2HG ARG 65 6.752 -7.975 -3.879 464 HD2 ARG 65 1HD ARG 65 7.524 -9.361 -5.601 465 HD3 ARG 65 2HD ARG 65 6.116 -8.549 -6.283 466 HE ARG 65 HE ARG 65 8.418 -7.066 -6.899 467 HH11 ARG 65 2HH1 ARG 65 6.888 -10.093 -7.683 468 HH12 ARG 65 1HH1 ARG 65 7.572 -10.177 -9.272 469 HH21 ARG 65 2HH2 ARG 65 9.325 -7.164 -8.990 470 HH22 ARG 65 1HH2 ARG 65 8.958 -8.511 -10.015 471 H ALA 66 H ALA 66 3.332 -5.435 -3.445 472 HA ALA 66 HA ALA 66 3.267 -7.813 -1.741 473 HB1 ALA 66 1HB ALA 66 3.411 -5.937 -0.195 474 HB2 ALA 66 2HB ALA 66 2.013 -5.183 -0.962 475 HB3 ALA 66 3HB ALA 66 1.829 -6.710 -0.098 476 H GLU 67 H GLU 67 1.177 -8.801 -1.587 477 HA GLU 67 HA GLU 67 -0.671 -7.962 -3.725 478 HB2 GLU 67 1HB GLU 67 0.496 -10.016 -4.345 479 HB3 GLU 67 2HB GLU 67 0.007 -10.770 -2.834 480 HG2 GLU 67 1HG GLU 67 -2.258 -10.846 -3.491 481 HG3 GLU 67 2HG GLU 67 -1.971 -9.775 -4.861 482 H LEU 68 H LEU 68 -2.253 -6.952 -2.616 483 HA LEU 68 HA LEU 68 -3.166 -7.803 -0.051 484 HB2 LEU 68 1HB LEU 68 -4.498 -5.948 -2.019 485 HB3 LEU 68 2HB LEU 68 -4.872 -6.096 -0.303 486 HG LEU 68 HG LEU 68 -2.272 -5.071 -1.443 487 HD11 LEU 68 1HD1 LEU 68 -4.515 -3.569 -0.103 488 HD12 LEU 68 2HD1 LEU 68 -4.183 -3.566 -1.835 489 HD13 LEU 68 3HD1 LEU 68 -3.004 -2.891 -0.710 490 HD21 LEU 68 1HD2 LEU 68 -3.235 -4.946 1.403 491 HD22 LEU 68 2HD2 LEU 68 -1.628 -4.580 0.774 492 HD23 LEU 68 3HD2 LEU 68 -2.208 -6.246 0.797 493 H ARG 69 H ARG 69 -5.209 -8.674 0.494 494 HA ARG 69 HA ARG 69 -6.751 -9.883 -1.680 495 HB2 ARG 69 1HB ARG 69 -5.705 -11.413 0.710 496 HB3 ARG 69 2HB ARG 69 -6.830 -12.042 -0.487 497 HG2 ARG 69 1HG ARG 69 -5.037 -11.574 -2.214 498 HG3 ARG 69 2HG ARG 69 -3.941 -11.321 -0.854 499 HD2 ARG 69 1HD ARG 69 -3.759 -13.599 -1.657 500 HD3 ARG 69 2HD ARG 69 -4.459 -13.581 -0.039 501 HE ARG 69 HE ARG 69 -6.424 -13.603 -2.130 502 HH11 ARG 69 2HH1 ARG 69 -4.332 -15.569 -0.161 503 HH12 ARG 69 1HH1 ARG 69 -5.305 -16.994 -0.320 504 HH21 ARG 69 2HH2 ARG 69 -7.714 -15.471 -2.346 505 HH22 ARG 69 1HH2 ARG 69 -7.229 -16.937 -1.563 506 H GLY 70 H GLY 70 -8.918 -10.007 -1.301 507 HA2 GLY 70 1HA GLY 70 -10.898 -9.983 -0.058 508 HA3 GLY 70 2HA GLY 70 -9.956 -9.669 1.392 509 H LEU 71 H LEU 71 -10.564 -8.028 -1.719 510 HA LEU 71 HA LEU 71 -11.275 -5.616 -0.195 511 HB2 LEU 71 1HB LEU 71 -9.658 -5.615 -2.736 512 HB3 LEU 71 2HB LEU 71 -10.080 -4.221 -1.743 513 HG LEU 71 HG LEU 71 -8.456 -6.395 -0.516 514 HD11 LEU 71 1HD1 LEU 71 -7.571 -5.723 -2.867 515 HD12 LEU 71 2HD1 LEU 71 -6.462 -5.786 -1.498 516 HD13 LEU 71 3HD1 LEU 71 -7.087 -4.234 -2.056 517 HD21 LEU 71 1HD2 LEU 71 -9.147 -3.607 -0.020 518 HD22 LEU 71 2HD2 LEU 71 -7.424 -3.940 0.152 519 HD23 LEU 71 3HD2 LEU 71 -8.598 -4.857 1.097 520 H LYS 72 H LYS 72 -12.155 -3.923 -1.944 521 HA LYS 72 HA LYS 72 -14.321 -5.340 -3.323 522 HB2 LYS 72 1HB LYS 72 -14.028 -2.564 -2.221 523 HB3 LYS 72 2HB LYS 72 -15.247 -2.908 -3.441 524 HG2 LYS 72 1HG LYS 72 -16.123 -4.704 -1.938 525 HG3 LYS 72 2HG LYS 72 -15.011 -4.119 -0.699 526 HD2 LYS 72 1HD LYS 72 -17.084 -3.082 -0.247 527 HD3 LYS 72 2HD LYS 72 -16.083 -1.843 -1.008 528 HE2 LYS 72 1HE LYS 72 -17.184 -2.230 -3.137 529 HE3 LYS 72 2HE LYS 72 -18.138 -3.533 -2.431 530 HZ1 LYS 72 1HZ LYS 72 -18.316 -0.968 -1.085 531 HZ2 LYS 72 2HZ LYS 72 -19.528 -2.094 -1.437 532 HZ3 LYS 72 3HZ LYS 72 -18.995 -1.024 -2.634 533 H ARG 73 H ARG 73 -14.478 -5.363 -5.477 534 HA ARG 73 HA ARG 73 -12.403 -4.079 -7.037 535 HB2 ARG 73 1HB ARG 73 -12.968 -5.523 -8.757 536 HB3 ARG 73 2HB ARG 73 -13.390 -6.474 -7.339 537 HG2 ARG 73 1HG ARG 73 -15.745 -5.352 -7.712 538 HG3 ARG 73 2HG ARG 73 -15.146 -5.202 -9.365 539 HD2 ARG 73 1HD ARG 73 -15.084 -7.470 -9.694 540 HD3 ARG 73 2HD ARG 73 -14.860 -7.820 -7.981 541 HE ARG 73 HE ARG 73 -17.419 -6.697 -8.459 542 HH11 ARG 73 2HH1 ARG 73 -15.589 -9.639 -8.798 543 HH12 ARG 73 1HH1 ARG 73 -16.979 -10.668 -8.708 544 HH21 ARG 73 2HH2 ARG 73 -19.258 -8.042 -8.340 545 HH22 ARG 73 1HH2 ARG 73 -19.066 -9.759 -8.448 546 H GLY 74 H GLY 74 -14.544 -2.482 -5.721 547 HA2 GLY 74 1HA GLY 74 -15.029 -0.680 -7.873 548 HA3 GLY 74 2HA GLY 74 -16.492 -1.554 -7.447 549 H ALA 75 H ALA 75 -13.841 0.199 -5.829 550 HA ALA 75 HA ALA 75 -15.634 2.029 -4.583 551 HB1 ALA 75 1HB ALA 75 -15.070 1.308 -2.226 552 HB2 ALA 75 2HB ALA 75 -16.203 0.279 -3.103 553 HB3 ALA 75 3HB ALA 75 -14.520 -0.216 -2.922 554 H SER 76 H SER 76 -14.549 3.676 -3.403 555 HA SER 76 HA SER 76 -11.922 4.215 -4.361 556 HB2 SER 76 1HB SER 76 -13.564 5.642 -2.254 557 HB3 SER 76 2HB SER 76 -12.082 6.263 -2.979 558 HG SER 76 HG SER 76 -13.496 7.115 -4.314 559 H TYR 77 H TYR 77 -10.209 3.152 -3.614 560 HA TYR 77 HA TYR 77 -10.007 2.692 -0.710 561 HB2 TYR 77 1HB TYR 77 -9.284 1.010 -3.052 562 HB3 TYR 77 2HB TYR 77 -8.214 0.944 -1.657 563 HD1 TYR 77 2HD TYR 77 -11.849 0.737 -2.493 564 HD2 TYR 77 1HD TYR 77 -8.679 -0.579 0.020 565 HE1 TYR 77 2HE TYR 77 -13.381 -0.847 -1.401 566 HE2 TYR 77 1HE TYR 77 -10.201 -2.168 1.119 567 HH TYR 77 HH TYR 77 -13.483 -2.013 0.909 568 H LEU 78 H LEU 78 -8.652 4.071 0.212 569 HA LEU 78 HA LEU 78 -6.543 5.337 -1.324 570 HB2 LEU 78 1HB LEU 78 -7.197 5.674 1.596 571 HB3 LEU 78 2HB LEU 78 -6.216 6.741 0.594 572 HG LEU 78 HG LEU 78 -9.152 6.286 0.108 573 HD11 LEU 78 1HD1 LEU 78 -9.359 8.580 1.192 574 HD12 LEU 78 2HD1 LEU 78 -7.770 8.268 1.890 575 HD13 LEU 78 3HD1 LEU 78 -9.123 7.202 2.267 576 HD21 LEU 78 1HD2 LEU 78 -7.427 8.617 -0.683 577 HD22 LEU 78 2HD2 LEU 78 -9.027 8.182 -1.284 578 HD23 LEU 78 3HD2 LEU 78 -7.627 7.194 -1.706 579 H VAL 79 H VAL 79 -4.796 4.102 -1.656 580 HA VAL 79 HA VAL 79 -3.801 2.379 0.481 581 HB VAL 79 HB VAL 79 -2.854 2.665 -2.374 582 HG11 VAL 79 1HG1 VAL 79 -1.890 1.087 -0.058 583 HG12 VAL 79 2HG1 VAL 79 -1.912 0.289 -1.632 584 HG13 VAL 79 3HG1 VAL 79 -0.995 1.780 -1.410 585 HG21 VAL 79 1HG2 VAL 79 -4.307 1.067 -2.993 586 HG22 VAL 79 2HG2 VAL 79 -4.109 0.162 -1.492 587 HG23 VAL 79 3HG2 VAL 79 -5.192 1.552 -1.547 588 H GLN 80 H GLN 80 -1.883 2.663 1.520 589 HA GLN 80 HA GLN 80 -0.176 4.904 0.710 590 HB2 GLN 80 1HB GLN 80 -1.204 4.443 3.515 591 HB3 GLN 80 2HB GLN 80 0.017 5.627 3.069 592 HG2 GLN 80 1HG GLN 80 -1.802 6.973 3.084 593 HG3 GLN 80 2HG GLN 80 -1.879 6.424 1.411 594 HE21 GLN 80 1HE2 GLN 80 -3.969 6.304 0.954 595 HE22 GLN 80 2HE2 GLN 80 -5.154 5.454 1.879 596 H VAL 81 H VAL 81 1.809 4.154 0.438 597 HA VAL 81 HA VAL 81 2.705 1.890 2.098 598 HB VAL 81 HB VAL 81 3.658 2.720 -0.647 599 HG11 VAL 81 1HG1 VAL 81 5.508 1.559 -0.257 600 HG12 VAL 81 2HG1 VAL 81 4.963 1.214 1.386 601 HG13 VAL 81 3HG1 VAL 81 4.535 0.124 0.066 602 HG21 VAL 81 1HG2 VAL 81 1.790 1.605 -1.234 603 HG22 VAL 81 2HG2 VAL 81 2.770 0.178 -0.897 604 HG23 VAL 81 3HG2 VAL 81 1.657 0.793 0.326 605 H ARG 82 H ARG 82 4.484 2.099 3.329 606 HA ARG 82 HA ARG 82 6.081 4.557 3.028 607 HB2 ARG 82 1HB ARG 82 6.258 4.766 5.401 608 HB3 ARG 82 2HB ARG 82 4.552 4.566 5.021 609 HG2 ARG 82 1HG ARG 82 4.461 2.445 5.917 610 HG3 ARG 82 2HG ARG 82 6.197 2.183 5.740 611 HD2 ARG 82 1HD ARG 82 6.108 2.544 7.988 612 HD3 ARG 82 2HD ARG 82 6.304 4.209 7.439 613 HE ARG 82 HE ARG 82 3.566 3.331 7.726 614 HH11 ARG 82 2HH1 ARG 82 6.306 4.847 9.246 615 HH12 ARG 82 1HH1 ARG 82 5.355 5.669 10.438 616 HH21 ARG 82 2HH2 ARG 82 2.303 4.408 9.291 617 HH22 ARG 82 1HH2 ARG 82 3.078 5.418 10.464 618 H ALA 83 H ALA 83 8.295 4.412 3.743 619 HA ALA 83 HA ALA 83 9.354 1.670 3.529 620 HB1 ALA 83 1HB ALA 83 9.876 3.554 1.777 621 HB2 ALA 83 2HB ALA 83 11.060 4.051 2.987 622 HB3 ALA 83 3HB ALA 83 11.132 2.429 2.298 623 H ARG 84 H ARG 84 10.914 0.966 4.954 624 HA ARG 84 HA ARG 84 11.354 2.692 7.300 625 HB2 ARG 84 1HB ARG 84 10.035 0.637 7.731 626 HB3 ARG 84 2HB ARG 84 11.391 -0.328 7.163 627 HG2 ARG 84 1HG ARG 84 12.671 1.047 9.029 628 HG3 ARG 84 2HG ARG 84 11.044 1.153 9.705 629 HD2 ARG 84 1HD ARG 84 12.534 -1.367 8.981 630 HD3 ARG 84 2HD ARG 84 12.198 -0.776 10.608 631 HE ARG 84 HE ARG 84 9.737 -1.007 9.481 632 HH11 ARG 84 2HH1 ARG 84 12.435 -3.171 9.879 633 HH12 ARG 84 1HH1 ARG 84 11.450 -4.593 9.966 634 HH21 ARG 84 2HH2 ARG 84 8.429 -2.872 9.595 635 HH22 ARG 84 1HH2 ARG 84 9.171 -4.422 9.803 636 H SER 85 H SER 85 13.392 3.036 8.040 637 HA SER 85 HA SER 85 15.597 1.637 6.689 638 HB2 SER 85 1HB SER 85 15.158 3.964 5.749 639 HB3 SER 85 2HB SER 85 15.671 4.590 7.316 640 HG SER 85 HG SER 85 17.689 3.710 6.988 641 H GLU 86 H GLU 86 17.604 1.619 7.868 642 HA GLU 86 HA GLU 86 17.588 0.741 10.385 643 HB2 GLU 86 1HB GLU 86 19.641 2.510 9.071 644 HB3 GLU 86 2HB GLU 86 19.896 1.818 10.666 645 HG2 GLU 86 1HG GLU 86 19.473 -0.439 9.611 646 HG3 GLU 86 2HG GLU 86 19.580 0.378 8.052 647 H ALA 87 H ALA 87 17.727 4.182 9.529 648 HA ALA 87 HA ALA 87 17.943 5.268 12.071 649 HB1 ALA 87 1HB ALA 87 16.720 7.253 11.056 650 HB2 ALA 87 2HB ALA 87 18.198 6.729 10.248 651 HB3 ALA 87 3HB ALA 87 16.626 6.298 9.576 652 H GLY 88 H GLY 88 14.954 4.617 10.231 653 HA2 GLY 88 1HA GLY 88 13.477 3.607 12.353 654 HA3 GLY 88 2HA GLY 88 13.218 5.345 12.358 655 H TYR 89 H TYR 89 11.082 5.322 11.775 656 HA TYR 89 HA TYR 89 10.324 3.944 9.311 657 HB2 TYR 89 1HB TYR 89 8.856 5.020 11.664 658 HB3 TYR 89 2HB TYR 89 8.009 5.010 10.121 659 HD1 TYR 89 2HD TYR 89 7.954 2.761 8.843 660 HD2 TYR 89 1HD TYR 89 8.907 3.096 12.976 661 HE1 TYR 89 2HE TYR 89 7.399 0.386 9.157 662 HE2 TYR 89 1HE TYR 89 8.357 0.721 13.301 663 HH TYR 89 HH TYR 89 8.225 -1.462 11.037 664 H GLY 90 H GLY 90 9.624 4.973 7.484 665 HA2 GLY 90 1HA GLY 90 10.210 7.846 7.355 666 HA3 GLY 90 2HA GLY 90 10.100 6.754 5.982 667 HA PRO 91 HA PRO 91 6.083 9.189 6.770 668 HB2 PRO 91 1HB PRO 91 6.314 10.998 4.760 669 HB3 PRO 91 2HB PRO 91 6.912 11.299 6.396 670 HG2 PRO 91 1HG PRO 91 8.416 10.419 3.962 671 HG3 PRO 91 2HG PRO 91 8.870 11.621 5.184 672 HD2 PRO 91 1HD PRO 91 9.860 9.101 5.182 673 HD3 PRO 91 2HD PRO 91 9.587 10.018 6.677 674 H PHE 92 H PHE 92 4.227 8.938 5.516 675 HA PHE 92 HA PHE 92 4.322 6.864 3.566 676 HB2 PHE 92 1HB PHE 92 2.170 8.559 4.766 677 HB3 PHE 92 2HB PHE 92 1.815 7.641 3.306 678 HD1 PHE 92 1HD PHE 92 2.625 5.105 3.428 679 HD2 PHE 92 2HD PHE 92 1.716 7.568 6.779 680 HE1 PHE 92 1HE PHE 92 2.216 3.097 4.789 681 HE2 PHE 92 2HE PHE 92 1.307 5.563 8.145 682 HZ PHE 92 HZ PHE 92 1.558 3.324 7.151 683 H GLY 93 H GLY 93 4.021 6.938 1.366 684 HA2 GLY 93 1HA GLY 93 4.766 9.406 0.078 685 HA3 GLY 93 2HA GLY 93 4.475 7.862 -0.710 686 H GLN 94 H GLN 94 3.595 10.160 -1.888 687 HA GLN 94 HA GLN 94 1.187 11.256 -1.385 688 HB2 GLN 94 1HB GLN 94 2.651 11.575 -3.437 689 HB3 GLN 94 2HB GLN 94 1.845 10.169 -4.121 690 HG2 GLN 94 1HG GLN 94 -0.314 11.335 -3.892 691 HG3 GLN 94 2HG GLN 94 0.545 12.756 -3.300 692 HE21 GLN 94 1HE2 GLN 94 -1.110 12.127 -5.756 693 HE22 GLN 94 2HE2 GLN 94 -0.140 12.690 -7.070 694 H GLU 95 H GLU 95 -0.678 10.427 -0.740 695 HA GLU 95 HA GLU 95 -1.429 7.795 -0.697 696 HB2 GLU 95 1HB GLU 95 -3.063 10.317 -0.784 697 HB3 GLU 95 2HB GLU 95 -3.835 8.740 -0.696 698 HG2 GLU 95 1HG GLU 95 -2.901 8.281 1.410 699 HG3 GLU 95 2HG GLU 95 -1.750 9.609 1.276 700 H HIS 96 H HIS 96 -1.645 6.382 -2.291 701 HA HIS 96 HA HIS 96 -2.457 7.307 -4.945 702 HB2 HIS 96 1HB HIS 96 -0.419 5.737 -4.379 703 HB3 HIS 96 2HB HIS 96 -1.654 4.481 -4.376 704 HD1 HIS 96 1HD HIS 96 0.739 5.771 -6.549 705 HD2 HIS 96 2HD HIS 96 -3.303 4.913 -6.983 706 HE1 HIS 96 1HE HIS 96 0.367 5.521 -9.023 707 HE2 HIS 96 2HE HIS 96 -2.102 5.087 -9.267 708 H HIS 97 H HIS 97 -4.231 6.508 -6.033 709 HA HIS 97 HA HIS 97 -6.187 5.088 -4.358 710 HB2 HIS 97 1HB HIS 97 -6.782 6.678 -6.853 711 HB3 HIS 97 2HB HIS 97 -7.921 6.126 -5.629 712 HD1 HIS 97 1HD HIS 97 -7.429 9.143 -6.557 713 HD2 HIS 97 2HD HIS 97 -6.015 7.353 -3.085 714 HE1 HIS 97 1HE HIS 97 -7.016 11.031 -4.948 715 HE2 HIS 97 2HE HIS 97 -6.080 9.930 -2.884 716 H SER 98 H SER 98 -6.008 2.964 -4.761 717 HA SER 98 HA SER 98 -5.061 1.691 -6.993 718 HB2 SER 98 1HB SER 98 -7.114 0.855 -4.957 719 HB3 SER 98 2HB SER 98 -6.645 -0.221 -6.272 720 HG SER 98 HG SER 98 -4.935 -0.682 -5.163 721 H GLN 99 H GLN 99 -5.710 1.470 -9.027 722 HA GLN 99 HA GLN 99 -8.220 2.596 -9.872 723 HB2 GLN 99 1HB GLN 99 -5.901 2.599 -11.090 724 HB3 GLN 99 2HB GLN 99 -6.423 1.029 -11.685 725 HG2 GLN 99 1HG GLN 99 -6.968 2.687 -13.312 726 HG3 GLN 99 2HG GLN 99 -8.463 2.098 -12.586 727 HE21 GLN 99 1HE2 GLN 99 -9.680 3.884 -13.008 728 HE22 GLN 99 2HE2 GLN 99 -9.406 5.422 -12.272 729 H THR 100 H THR 100 -8.890 0.604 -8.210 730 HA THR 100 HA THR 100 -9.160 -1.977 -9.037 731 HB THR 100 HB THR 100 -11.334 -2.044 -7.802 732 HG1 THR 100 1HG THR 100 -12.360 -0.200 -7.699 733 HG21 THR 100 1HG2 THR 100 -8.736 -1.301 -6.795 734 HG22 THR 100 2HG2 THR 100 -9.936 -2.391 -6.099 735 HG23 THR 100 3HG2 THR 100 -10.011 -0.662 -5.758 736 H GLN 101 H GLN 101 -10.851 -3.167 -10.089 737 HA GLN 101 HA GLN 101 -11.470 -2.431 -12.629 738 HB2 GLN 101 1HB GLN 101 -11.817 -4.694 -11.673 739 HB3 GLN 101 2HB GLN 101 -13.252 -4.102 -10.848 740 HG2 GLN 101 1HG GLN 101 -13.771 -5.339 -12.904 741 HG3 GLN 101 2HG GLN 101 -14.343 -3.672 -12.946 742 HE21 GLN 101 1HE2 GLN 101 -12.614 -6.040 -14.558 743 HE22 GLN 101 2HE2 GLN 101 -11.878 -5.049 -15.767 744 H LEU 102 H LEU 102 -12.265 -0.467 -13.124 745 HA LEU 102 HA LEU 102 -14.983 0.137 -12.214 746 HB2 LEU 102 1HB LEU 102 -12.647 2.036 -12.137 747 HB3 LEU 102 2HB LEU 102 -14.328 2.546 -12.006 748 HG LEU 102 HG LEU 102 -13.021 0.640 -10.073 749 HD11 LEU 102 1HD1 LEU 102 -12.044 3.042 -10.267 750 HD12 LEU 102 2HD1 LEU 102 -12.436 2.380 -8.680 751 HD13 LEU 102 3HD1 LEU 102 -13.538 3.516 -9.457 752 HD21 LEU 102 1HD2 LEU 102 -15.415 0.480 -10.083 753 HD22 LEU 102 2HD2 LEU 102 -15.579 2.235 -10.020 754 HD23 LEU 102 3HD2 LEU 102 -14.919 1.360 -8.637 755 H ASP 103 H ASP 103 -16.113 0.080 -14.043 756 HA ASP 103 HA ASP 103 -15.384 0.182 -16.618 757 HB2 ASP 103 1HB ASP 103 -17.606 1.232 -17.133 758 HB3 ASP 103 2HB ASP 103 -17.691 -0.150 -16.045 759 H SER 104 H SER 104 -14.473 1.556 -18.005 760 HA SER 104 HA SER 104 -13.100 3.774 -17.455 761 HB2 SER 104 1HB SER 104 -13.453 2.599 -19.732 762 HB3 SER 104 2HB SER 104 -14.757 3.763 -19.969 763 HG SER 104 HG SER 104 -12.024 4.354 -19.474 764 H GLY 105 H GLY 105 -16.571 3.753 -18.187 765 HA2 GLY 105 1HA GLY 105 -18.187 5.371 -17.934 766 HA3 GLY 105 2HA GLY 105 -17.316 5.756 -16.456 767 HA PRO 106 HA PRO 106 -17.262 9.508 -19.169 768 HB2 PRO 106 1HB PRO 106 -17.896 11.241 -17.178 769 HB3 PRO 106 2HB PRO 106 -19.114 10.374 -18.120 770 HG2 PRO 106 1HG PRO 106 -18.027 9.752 -15.401 771 HG3 PRO 106 2HG PRO 106 -19.704 9.697 -15.975 772 HD2 PRO 106 1HD PRO 106 -18.175 7.476 -15.729 773 HD3 PRO 106 2HD PRO 106 -19.425 7.640 -16.978 774 H SER 107 H SER 107 -15.116 9.764 -19.523 775 HA SER 107 HA SER 107 -13.490 10.753 -17.272 776 HB2 SER 107 1HB SER 107 -12.582 9.026 -19.589 777 HB3 SER 107 2HB SER 107 -11.527 9.695 -18.343 778 HG SER 107 HG SER 107 -13.205 8.525 -16.910 779 H SER 108 H SER 108 -13.444 12.898 -17.608 780 HA SER 108 HA SER 108 -13.282 14.022 -20.258 781 HB2 SER 108 1HB SER 108 -14.537 15.064 -18.314 782 HB3 SER 108 2HB SER 108 -12.966 15.491 -17.636 783 HG SER 108 HG SER 108 -14.362 16.671 -19.645 784 H GLY 109 H GLY 109 -11.153 13.859 -17.413 785 HA2 GLY 109 1HA GLY 109 -8.999 15.315 -18.209 786 HA3 GLY 109 2HA GLY 109 -8.848 13.812 -17.311 Start of MODEL 10 1 H1 GLY 1 H GLY 1 18.404 23.557 8.992 2 HA2 GLY 1 1HA GLY 1 16.477 21.670 8.211 3 HA3 GLY 1 2HA GLY 1 17.866 22.161 7.253 4 H SER 2 H SER 2 16.645 19.518 7.540 5 HA SER 2 HA SER 2 19.060 18.075 8.382 6 HB2 SER 2 1HB SER 2 17.591 16.275 9.327 7 HB3 SER 2 2HB SER 2 17.521 17.794 10.221 8 HG SER 2 HG SER 2 15.676 17.364 8.161 9 H SER 3 H SER 3 19.475 16.145 7.269 10 HA SER 3 HA SER 3 18.423 16.087 4.591 11 HB2 SER 3 1HB SER 3 20.040 14.241 4.253 12 HB3 SER 3 2HB SER 3 20.799 15.663 4.967 13 HG SER 3 HG SER 3 21.471 13.858 6.098 14 H GLY 4 H GLY 4 18.333 13.943 7.418 15 HA2 GLY 4 1HA GLY 4 15.753 13.004 6.987 16 HA3 GLY 4 2HA GLY 4 16.833 11.886 6.166 17 H SER 5 H SER 5 15.158 12.267 8.904 18 HA SER 5 HA SER 5 17.081 10.664 10.454 19 HB2 SER 5 1HB SER 5 15.436 13.017 11.345 20 HB3 SER 5 2HB SER 5 15.918 11.775 12.501 21 HG SER 5 HG SER 5 17.424 13.513 12.372 22 H SER 6 H SER 6 13.658 11.620 10.224 23 HA SER 6 HA SER 6 12.484 9.677 11.749 24 HB2 SER 6 1HB SER 6 10.638 9.811 9.823 25 HB3 SER 6 2HB SER 6 10.912 11.143 10.945 26 HG SER 6 HG SER 6 11.032 12.116 9.023 27 H GLY 7 H GLY 7 13.510 9.400 8.363 28 HA2 GLY 7 1HA GLY 7 14.312 6.772 8.441 29 HA3 GLY 7 2HA GLY 7 12.594 6.705 8.079 30 HA PRO 8 HA PRO 8 14.763 6.980 4.034 31 HB2 PRO 8 1HB PRO 8 13.065 5.284 2.766 32 HB3 PRO 8 2HB PRO 8 14.458 4.728 3.702 33 HG2 PRO 8 1HG PRO 8 11.575 4.868 4.498 34 HG3 PRO 8 2HG PRO 8 12.754 3.575 4.787 35 HD2 PRO 8 1HD PRO 8 12.079 5.382 6.687 36 HD3 PRO 8 2HD PRO 8 13.700 4.668 6.582 37 HA PRO 9 HA PRO 9 12.077 9.823 2.026 38 HB2 PRO 9 1HB PRO 9 12.376 9.211 -0.602 39 HB3 PRO 9 2HB PRO 9 13.639 10.000 0.350 40 HG2 PRO 9 1HG PRO 9 13.355 7.115 -0.399 41 HG3 PRO 9 2HG PRO 9 14.806 8.135 -0.404 42 HD2 PRO 9 1HD PRO 9 14.262 6.383 1.589 43 HD3 PRO 9 2HD PRO 9 15.124 7.910 1.868 44 H ALA 10 H ALA 10 9.973 10.047 1.441 45 HA ALA 10 HA ALA 10 8.131 8.046 1.720 46 HB1 ALA 10 1HB ALA 10 8.002 10.719 1.199 47 HB2 ALA 10 2HB ALA 10 7.333 10.029 -0.280 48 HB3 ALA 10 3HB ALA 10 6.613 9.635 1.282 49 H VAL 11 H VAL 11 7.461 6.359 0.558 50 HA VAL 11 HA VAL 11 8.767 5.423 -1.696 51 HB VAL 11 HB VAL 11 5.925 4.807 -0.875 52 HG11 VAL 11 1HG1 VAL 11 6.828 4.154 -3.226 53 HG12 VAL 11 2HG1 VAL 11 7.730 2.926 -2.336 54 HG13 VAL 11 3HG1 VAL 11 5.968 2.958 -2.257 55 HG21 VAL 11 1HG2 VAL 11 6.904 2.894 0.307 56 HG22 VAL 11 2HG2 VAL 11 8.519 3.459 -0.122 57 HG23 VAL 11 3HG2 VAL 11 7.500 4.426 0.945 58 H SER 12 H SER 12 8.844 6.208 -3.685 59 HA SER 12 HA SER 12 6.498 7.655 -4.725 60 HB2 SER 12 1HB SER 12 8.075 8.824 -6.229 61 HB3 SER 12 2HB SER 12 8.476 9.080 -4.531 62 HG SER 12 HG SER 12 9.675 6.957 -5.916 63 H ASP 13 H ASP 13 6.647 7.663 -7.284 64 HA ASP 13 HA ASP 13 6.083 6.393 -9.102 65 HB2 ASP 13 1HB ASP 13 8.816 5.537 -8.276 66 HB3 ASP 13 2HB ASP 13 8.011 4.609 -9.539 67 H ILE 14 H ILE 14 4.511 5.560 -7.161 68 HA ILE 14 HA ILE 14 4.787 2.668 -6.858 69 HB ILE 14 HB ILE 14 2.647 4.465 -5.716 70 HG12 ILE 14 1HG1 ILE 14 5.085 3.401 -4.287 71 HG13 ILE 14 2HG1 ILE 14 5.022 5.008 -5.004 72 HG21 ILE 14 1HG2 ILE 14 3.507 1.771 -4.710 73 HG22 ILE 14 2HG2 ILE 14 2.033 2.667 -4.344 74 HG23 ILE 14 3HG2 ILE 14 2.258 1.954 -5.941 75 HD11 ILE 14 1HD1 ILE 14 3.440 5.756 -3.475 76 HD12 ILE 14 2HD1 ILE 14 2.979 4.119 -3.008 77 HD13 ILE 14 3HD1 ILE 14 4.539 4.772 -2.508 78 H ARG 15 H ARG 15 4.081 1.523 -8.544 79 HA ARG 15 HA ARG 15 1.600 2.369 -9.881 80 HB2 ARG 15 1HB ARG 15 4.016 0.865 -10.820 81 HB3 ARG 15 2HB ARG 15 2.474 0.633 -11.633 82 HG2 ARG 15 1HG ARG 15 2.380 3.118 -11.958 83 HG3 ARG 15 2HG ARG 15 4.040 3.184 -11.361 84 HD2 ARG 15 1HD ARG 15 3.968 3.148 -13.805 85 HD3 ARG 15 2HD ARG 15 4.760 1.711 -13.161 86 HE ARG 15 HE ARG 15 1.982 1.275 -13.620 87 HH11 ARG 15 2HH1 ARG 15 5.081 1.462 -15.195 88 HH12 ARG 15 1HH1 ARG 15 4.622 0.429 -16.508 89 HH21 ARG 15 2HH2 ARG 15 1.366 -0.086 -15.343 90 HH22 ARG 15 1HH2 ARG 15 2.509 -0.451 -16.592 91 H VAL 16 H VAL 16 -0.014 0.834 -10.338 92 HA VAL 16 HA VAL 16 0.105 -1.572 -8.640 93 HB VAL 16 HB VAL 16 -2.335 -0.019 -9.516 94 HG11 VAL 16 1HG1 VAL 16 -2.438 -2.085 -7.391 95 HG12 VAL 16 2HG1 VAL 16 -3.667 -1.597 -8.559 96 HG13 VAL 16 3HG1 VAL 16 -2.335 -2.638 -9.062 97 HG21 VAL 16 1HG2 VAL 16 -1.468 1.320 -7.869 98 HG22 VAL 16 2HG2 VAL 16 -2.434 0.209 -6.898 99 HG23 VAL 16 3HG2 VAL 16 -0.691 -0.024 -7.032 100 H THR 17 H THR 17 0.792 -3.117 -10.042 101 HA THR 17 HA THR 17 -0.625 -3.402 -12.599 102 HB THR 17 HB THR 17 1.859 -3.324 -12.676 103 HG1 THR 17 1HG THR 17 1.494 -4.503 -14.386 104 HG21 THR 17 1HG2 THR 17 2.785 -5.747 -11.977 105 HG22 THR 17 2HG2 THR 17 1.526 -5.551 -10.757 106 HG23 THR 17 3HG2 THR 17 2.815 -4.356 -10.895 107 H ARG 18 H ARG 18 -0.980 -5.713 -13.308 108 HA ARG 18 HA ARG 18 -2.102 -7.673 -13.039 109 HB2 ARG 18 1HB ARG 18 0.114 -8.041 -11.709 110 HB3 ARG 18 2HB ARG 18 -0.926 -7.947 -10.294 111 HG2 ARG 18 1HG ARG 18 -0.907 -10.200 -10.660 112 HG3 ARG 18 2HG ARG 18 -2.333 -9.736 -11.590 113 HD2 ARG 18 1HD ARG 18 -0.892 -9.615 -13.616 114 HD3 ARG 18 2HD ARG 18 0.443 -10.243 -12.651 115 HE ARG 18 HE ARG 18 -1.607 -12.042 -12.324 116 HH11 ARG 18 2HH1 ARG 18 0.203 -10.754 -15.004 117 HH12 ARG 18 1HH1 ARG 18 0.048 -12.187 -15.966 118 HH21 ARG 18 2HH2 ARG 18 -1.817 -13.935 -13.580 119 HH22 ARG 18 1HH2 ARG 18 -1.102 -13.995 -15.155 120 H SER 19 H SER 19 -3.713 -5.610 -12.585 121 HA SER 19 HA SER 19 -4.931 -5.506 -10.036 122 HB2 SER 19 1HB SER 19 -6.756 -4.305 -11.186 123 HB3 SER 19 2HB SER 19 -5.174 -3.691 -11.666 124 HG SER 19 HG SER 19 -6.977 -4.360 -13.301 125 H SER 20 H SER 20 -7.154 -6.162 -9.537 126 HA SER 20 HA SER 20 -8.365 -8.276 -11.059 127 HB2 SER 20 1HB SER 20 -6.768 -8.875 -8.600 128 HB3 SER 20 2HB SER 20 -8.240 -9.798 -8.904 129 HG SER 20 HG SER 20 -6.034 -10.472 -9.834 130 HA PRO 21 HA PRO 21 -11.980 -6.876 -9.005 131 HB2 PRO 21 1HB PRO 21 -13.478 -9.138 -8.907 132 HB3 PRO 21 2HB PRO 21 -13.177 -8.249 -10.405 133 HG2 PRO 21 1HG PRO 21 -11.830 -10.709 -9.359 134 HG3 PRO 21 2HG PRO 21 -12.370 -10.345 -11.008 135 HD2 PRO 21 1HD PRO 21 -9.785 -10.111 -10.237 136 HD3 PRO 21 2HD PRO 21 -10.514 -9.058 -11.467 137 H SER 22 H SER 22 -10.634 -9.900 -7.724 138 HA SER 22 HA SER 22 -11.532 -9.077 -5.040 139 HB2 SER 22 1HB SER 22 -10.978 -11.892 -6.008 140 HB3 SER 22 2HB SER 22 -11.597 -11.431 -4.422 141 HG SER 22 HG SER 22 -13.521 -11.028 -5.267 142 H SER 23 H SER 23 -9.078 -8.280 -6.400 143 HA SER 23 HA SER 23 -7.250 -8.697 -4.282 144 HB2 SER 23 1HB SER 23 -6.873 -10.331 -6.782 145 HB3 SER 23 2HB SER 23 -5.496 -9.852 -5.790 146 HG SER 23 HG SER 23 -7.530 -11.668 -5.261 147 H LEU 24 H LEU 24 -5.333 -7.453 -4.506 148 HA LEU 24 HA LEU 24 -5.025 -5.850 -6.917 149 HB2 LEU 24 1HB LEU 24 -5.749 -4.756 -4.223 150 HB3 LEU 24 2HB LEU 24 -4.835 -3.789 -5.379 151 HG LEU 24 HG LEU 24 -7.425 -5.004 -6.230 152 HD11 LEU 24 1HD1 LEU 24 -8.717 -3.743 -4.933 153 HD12 LEU 24 2HD1 LEU 24 -7.725 -2.312 -5.208 154 HD13 LEU 24 3HD1 LEU 24 -7.289 -3.456 -3.939 155 HD21 LEU 24 1HD2 LEU 24 -5.954 -3.853 -7.838 156 HD22 LEU 24 2HD2 LEU 24 -6.070 -2.385 -6.867 157 HD23 LEU 24 3HD2 LEU 24 -7.509 -3.044 -7.645 158 H SER 25 H SER 25 -2.952 -6.041 -7.415 159 HA SER 25 HA SER 25 -0.982 -6.527 -5.326 160 HB2 SER 25 1HB SER 25 -1.116 -7.809 -7.554 161 HB3 SER 25 2HB SER 25 -0.411 -6.366 -8.281 162 HG SER 25 HG SER 25 0.729 -8.247 -6.587 163 H LEU 26 H LEU 26 0.972 -5.306 -5.159 164 HA LEU 26 HA LEU 26 0.902 -2.627 -6.351 165 HB2 LEU 26 1HB LEU 26 1.422 -3.174 -3.433 166 HB3 LEU 26 2HB LEU 26 1.473 -1.601 -4.224 167 HG LEU 26 HG LEU 26 -1.068 -3.158 -4.295 168 HD11 LEU 26 1HD1 LEU 26 -0.420 -1.395 -1.962 169 HD12 LEU 26 2HD1 LEU 26 -0.078 -3.125 -1.923 170 HD13 LEU 26 3HD1 LEU 26 -1.733 -2.559 -2.149 171 HD21 LEU 26 1HD2 LEU 26 -1.290 -0.377 -3.685 172 HD22 LEU 26 2HD2 LEU 26 -1.828 -1.246 -5.122 173 HD23 LEU 26 3HD2 LEU 26 -0.193 -0.587 -5.050 174 H ALA 27 H ALA 27 2.967 -1.525 -6.317 175 HA ALA 27 HA ALA 27 5.344 -2.865 -5.491 176 HB1 ALA 27 1HB ALA 27 4.513 -4.036 -7.672 177 HB2 ALA 27 2HB ALA 27 5.197 -2.614 -8.460 178 HB3 ALA 27 3HB ALA 27 6.222 -3.651 -7.467 179 H TRP 28 H TRP 28 6.881 -1.386 -5.149 180 HA TRP 28 HA TRP 28 6.568 1.242 -6.445 181 HB2 TRP 28 1HB TRP 28 8.069 1.870 -4.325 182 HB3 TRP 28 2HB TRP 28 6.310 1.819 -4.249 183 HD1 TRP 28 HD TRP 28 9.201 0.641 -2.399 184 HE1 TRP 28 1HE TRP 28 8.590 -1.303 -0.828 185 HE3 TRP 28 3HE TRP 28 4.633 -0.572 -4.347 186 HZ2 TRP 28 2HZ TRP 28 6.455 -3.113 -0.463 187 HZ3 TRP 28 3HZ TRP 28 3.370 -2.422 -3.329 188 HH2 TRP 28 HH TRP 28 4.264 -3.666 -1.428 189 H ALA 29 H ALA 29 8.688 2.498 -6.517 190 HA ALA 29 HA ALA 29 10.699 0.758 -7.722 191 HB1 ALA 29 1HB ALA 29 9.946 2.638 -9.050 192 HB2 ALA 29 2HB ALA 29 10.409 3.760 -7.769 193 HB3 ALA 29 3HB ALA 29 11.646 2.841 -8.627 194 H VAL 30 H VAL 30 12.275 0.039 -6.456 195 HA VAL 30 HA VAL 30 12.950 0.620 -3.935 196 HB VAL 30 HB VAL 30 14.928 0.084 -6.155 197 HG11 VAL 30 1HG1 VAL 30 15.941 1.051 -4.084 198 HG12 VAL 30 2HG1 VAL 30 15.317 -0.341 -3.197 199 HG13 VAL 30 3HG1 VAL 30 16.503 -0.572 -4.483 200 HG21 VAL 30 1HG2 VAL 30 14.664 -2.196 -5.703 201 HG22 VAL 30 2HG2 VAL 30 13.862 -1.892 -4.162 202 HG23 VAL 30 3HG2 VAL 30 13.020 -1.560 -5.675 203 HA PRO 31 HA PRO 31 13.956 5.019 -4.425 204 HB2 PRO 31 1HB PRO 31 13.571 5.609 -1.803 205 HB3 PRO 31 2HB PRO 31 12.245 5.490 -2.966 206 HG2 PRO 31 1HG PRO 31 13.209 3.469 -0.978 207 HG3 PRO 31 2HG PRO 31 11.546 3.927 -1.392 208 HD2 PRO 31 1HD PRO 31 12.729 1.694 -2.366 209 HD3 PRO 31 2HD PRO 31 11.525 2.617 -3.288 210 H ARG 32 H ARG 32 15.526 6.424 -3.220 211 HA ARG 32 HA ARG 32 17.823 4.808 -2.341 212 HB2 ARG 32 1HB ARG 32 18.316 6.036 -4.354 213 HB3 ARG 32 2HB ARG 32 17.707 7.527 -3.649 214 HG2 ARG 32 1HG ARG 32 19.942 7.859 -3.392 215 HG3 ARG 32 2HG ARG 32 19.587 7.049 -1.865 216 HD2 ARG 32 1HD ARG 32 20.409 4.975 -2.676 217 HD3 ARG 32 2HD ARG 32 20.484 5.577 -4.331 218 HE ARG 32 HE ARG 32 22.167 7.223 -3.006 219 HH11 ARG 32 2HH1 ARG 32 21.881 3.759 -3.204 220 HH12 ARG 32 1HH1 ARG 32 23.575 3.476 -2.974 221 HH21 ARG 32 2HH2 ARG 32 24.399 6.863 -2.702 222 HH22 ARG 32 1HH2 ARG 32 25.006 5.242 -2.687 223 H ALA 33 H ALA 33 17.672 4.720 -0.164 224 HA ALA 33 HA ALA 33 16.831 6.972 1.412 225 HB1 ALA 33 1HB ALA 33 18.085 5.040 3.052 226 HB2 ALA 33 2HB ALA 33 16.360 5.351 2.850 227 HB3 ALA 33 3HB ALA 33 17.171 4.174 1.816 228 HA PRO 34 HA PRO 34 20.745 8.923 1.930 229 HB2 PRO 34 1HB PRO 34 20.255 10.244 4.250 230 HB3 PRO 34 2HB PRO 34 19.566 10.739 2.700 231 HG2 PRO 34 1HG PRO 34 18.314 9.155 4.909 232 HG3 PRO 34 2HG PRO 34 17.618 10.467 3.940 233 HD2 PRO 34 1HD PRO 34 17.091 7.856 3.450 234 HD3 PRO 34 2HD PRO 34 17.154 9.076 2.162 235 H SER 35 H SER 35 19.344 7.151 4.653 236 HA SER 35 HA SER 35 22.053 6.665 5.692 237 HB2 SER 35 1HB SER 35 21.029 6.146 7.818 238 HB3 SER 35 2HB SER 35 20.372 7.680 7.248 239 HG SER 35 HG SER 35 19.074 5.413 7.840 240 H GLY 36 H GLY 36 22.939 4.736 5.377 241 HA2 GLY 36 1HA GLY 36 23.176 2.539 4.741 242 HA3 GLY 36 2HA GLY 36 21.782 2.265 5.776 243 H ALA 37 H ALA 37 20.260 1.148 4.775 244 HA ALA 37 HA ALA 37 19.315 1.986 2.170 245 HB1 ALA 37 1HB ALA 37 21.260 0.256 1.941 246 HB2 ALA 37 2HB ALA 37 20.008 -0.908 2.377 247 HB3 ALA 37 3HB ALA 37 19.812 0.103 0.946 248 H VAL 38 H VAL 38 17.199 1.431 1.794 249 HA VAL 38 HA VAL 38 15.388 1.151 3.743 250 HB VAL 38 HB VAL 38 15.179 -0.253 1.076 251 HG11 VAL 38 1HG1 VAL 38 12.805 -0.198 1.373 252 HG12 VAL 38 2HG1 VAL 38 13.516 -0.962 2.796 253 HG13 VAL 38 3HG1 VAL 38 12.962 0.711 2.875 254 HG21 VAL 38 1HG2 VAL 38 15.128 1.776 0.176 255 HG22 VAL 38 2HG2 VAL 38 13.686 2.134 1.126 256 HG23 VAL 38 3HG2 VAL 38 15.283 2.522 1.766 257 H LEU 39 H LEU 39 14.322 -0.470 4.872 258 HA LEU 39 HA LEU 39 15.702 -3.072 4.909 259 HB2 LEU 39 1HB LEU 39 14.167 -1.757 7.144 260 HB3 LEU 39 2HB LEU 39 15.070 -3.268 7.236 261 HG LEU 39 HG LEU 39 16.385 -0.627 6.641 262 HD11 LEU 39 1HD1 LEU 39 15.426 -0.263 8.756 263 HD12 LEU 39 2HD1 LEU 39 17.085 -0.765 9.078 264 HD13 LEU 39 3HD1 LEU 39 15.761 -1.912 9.284 265 HD21 LEU 39 1HD2 LEU 39 18.399 -1.769 7.293 266 HD22 LEU 39 2HD2 LEU 39 17.583 -2.714 6.047 267 HD23 LEU 39 3HD2 LEU 39 17.486 -3.211 7.737 268 H ASP 40 H ASP 40 12.528 -1.644 5.696 269 HA ASP 40 HA ASP 40 11.229 -3.805 4.227 270 HB2 ASP 40 1HB ASP 40 9.567 -3.908 6.254 271 HB3 ASP 40 2HB ASP 40 11.059 -4.845 6.288 272 H TYR 41 H TYR 41 8.701 -3.386 4.424 273 HA TYR 41 HA TYR 41 8.207 -0.496 4.210 274 HB2 TYR 41 1HB TYR 41 7.112 -2.530 2.261 275 HB3 TYR 41 2HB TYR 41 6.952 -0.780 2.177 276 HD1 TYR 41 1HD TYR 41 9.313 -3.593 1.825 277 HD2 TYR 41 2HD TYR 41 8.683 0.575 1.250 278 HE1 TYR 41 1HE TYR 41 11.354 -3.480 0.457 279 HE2 TYR 41 2HE TYR 41 10.722 0.700 -0.120 280 HH TYR 41 HH TYR 41 12.807 -2.126 -0.574 281 H GLU 42 H GLU 42 5.798 -0.035 4.112 282 HA GLU 42 HA GLU 42 4.194 -2.018 5.543 283 HB2 GLU 42 1HB GLU 42 5.378 -0.286 7.096 284 HB3 GLU 42 2HB GLU 42 4.157 0.826 6.493 285 HG2 GLU 42 1HG GLU 42 3.133 0.055 8.377 286 HG3 GLU 42 2HG GLU 42 2.510 -1.084 7.185 287 H VAL 43 H VAL 43 2.455 -2.294 4.322 288 HA VAL 43 HA VAL 43 1.459 -0.106 2.670 289 HB VAL 43 HB VAL 43 0.612 -3.005 2.789 290 HG11 VAL 43 1HG1 VAL 43 -0.523 -0.663 1.456 291 HG12 VAL 43 2HG1 VAL 43 -0.218 -2.026 0.377 292 HG13 VAL 43 3HG1 VAL 43 -1.244 -2.235 1.798 293 HG21 VAL 43 1HG2 VAL 43 1.687 -2.647 0.339 294 HG22 VAL 43 2HG2 VAL 43 2.682 -1.541 1.287 295 HG23 VAL 43 3HG2 VAL 43 2.590 -3.246 1.730 296 H LYS 44 H LYS 44 0.150 1.267 3.702 297 HA LYS 44 HA LYS 44 -1.850 0.184 5.565 298 HB2 LYS 44 1HB LYS 44 -0.454 1.845 6.600 299 HB3 LYS 44 2HB LYS 44 -0.698 2.959 5.262 300 HG2 LYS 44 1HG LYS 44 -3.070 3.139 5.858 301 HG3 LYS 44 2HG LYS 44 -2.798 2.050 7.221 302 HD2 LYS 44 1HD LYS 44 -1.005 3.741 7.949 303 HD3 LYS 44 2HD LYS 44 -1.777 4.844 6.807 304 HE2 LYS 44 1HE LYS 44 -3.950 4.337 8.008 305 HE3 LYS 44 2HE LYS 44 -2.974 3.554 9.249 306 HZ1 LYS 44 1HZ LYS 44 -3.635 6.084 9.394 307 HZ2 LYS 44 2HZ LYS 44 -2.237 6.270 8.460 308 HZ3 LYS 44 3HZ LYS 44 -2.148 5.524 9.975 309 H TYR 45 H TYR 45 -3.763 -0.157 4.656 310 HA TYR 45 HA TYR 45 -4.787 1.854 2.763 311 HB2 TYR 45 1HB TYR 45 -5.953 0.045 1.565 312 HB3 TYR 45 2HB TYR 45 -4.207 -0.180 1.542 313 HD1 TYR 45 2HD TYR 45 -3.205 -1.807 3.252 314 HD2 TYR 45 1HD TYR 45 -7.358 -1.658 2.336 315 HE1 TYR 45 2HE TYR 45 -3.483 -4.075 4.164 316 HE2 TYR 45 1HE TYR 45 -7.646 -3.924 3.245 317 HH TYR 45 HH TYR 45 -6.540 -5.439 4.799 318 H HIS 46 H HIS 46 -7.014 2.282 2.833 319 HA HIS 46 HA HIS 46 -8.721 0.955 4.725 320 HB2 HIS 46 1HB HIS 46 -8.935 2.574 6.356 321 HB3 HIS 46 2HB HIS 46 -7.222 2.720 5.976 322 HD1 HIS 46 1HD HIS 46 -10.448 4.546 5.787 323 HD2 HIS 46 2HD HIS 46 -6.515 5.065 4.553 324 HE1 HIS 46 1HE HIS 46 -10.264 6.966 5.126 325 HE2 HIS 46 2HE HIS 46 -7.899 7.235 4.302 326 H GLU 47 H GLU 47 -10.901 1.445 4.435 327 HA GLU 47 HA GLU 47 -11.646 2.321 1.867 328 HB2 GLU 47 1HB GLU 47 -12.894 0.786 3.563 329 HB3 GLU 47 2HB GLU 47 -13.566 2.293 4.172 330 HG2 GLU 47 1HG GLU 47 -14.100 2.666 1.610 331 HG3 GLU 47 2HG GLU 47 -14.040 0.904 1.597 332 H LYS 48 H LYS 48 -12.020 4.280 1.068 333 HA LYS 48 HA LYS 48 -11.582 6.615 2.627 334 HB2 LYS 48 1HB LYS 48 -11.305 6.139 0.035 335 HB3 LYS 48 2HB LYS 48 -12.949 6.763 -0.023 336 HG2 LYS 48 1HG LYS 48 -11.975 8.737 1.350 337 HG3 LYS 48 2HG LYS 48 -10.423 8.158 0.742 338 HD2 LYS 48 1HD LYS 48 -11.427 8.257 -1.571 339 HD3 LYS 48 2HD LYS 48 -12.797 9.107 -0.851 340 HE2 LYS 48 1HE LYS 48 -10.910 10.639 0.142 341 HE3 LYS 48 2HE LYS 48 -9.974 10.001 -1.209 342 HZ1 LYS 48 1HZ LYS 48 -12.486 10.760 -2.170 343 HZ2 LYS 48 2HZ LYS 48 -10.980 11.438 -2.533 344 HZ3 LYS 48 3HZ LYS 48 -11.889 12.041 -1.240 345 H GLY 49 H GLY 49 -13.189 6.313 4.302 346 HA2 GLY 49 1HA GLY 49 -15.210 7.910 4.575 347 HA3 GLY 49 2HA GLY 49 -15.961 6.792 3.446 348 H ALA 50 H ALA 50 -13.769 6.047 6.123 349 HA ALA 50 HA ALA 50 -15.968 4.538 7.381 350 HB1 ALA 50 1HB ALA 50 -14.608 2.754 7.802 351 HB2 ALA 50 2HB ALA 50 -13.884 3.331 6.300 352 HB3 ALA 50 3HB ALA 50 -13.144 3.737 7.849 353 H GLU 51 H GLU 51 -15.392 4.043 9.773 354 HA GLU 51 HA GLU 51 -14.136 6.387 11.023 355 HB2 GLU 51 1HB GLU 51 -16.758 6.358 10.904 356 HB3 GLU 51 2HB GLU 51 -16.611 5.205 12.223 357 HG2 GLU 51 1HG GLU 51 -15.028 7.088 13.200 358 HG3 GLU 51 2HG GLU 51 -16.023 8.108 12.161 359 H GLY 52 H GLY 52 -15.489 3.146 11.609 360 HA2 GLY 52 1HA GLY 52 -14.476 2.542 14.061 361 HA3 GLY 52 2HA GLY 52 -14.584 1.364 12.762 362 HA PRO 53 HA PRO 53 -10.088 2.670 13.899 363 HB2 PRO 53 1HB PRO 53 -9.513 0.913 15.887 364 HB3 PRO 53 2HB PRO 53 -10.143 2.536 16.192 365 HG2 PRO 53 1HG PRO 53 -11.596 -0.081 16.135 366 HG3 PRO 53 2HG PRO 53 -11.756 1.263 17.281 367 HD2 PRO 53 1HD PRO 53 -13.506 0.860 15.254 368 HD3 PRO 53 2HD PRO 53 -13.103 2.479 15.860 369 H SER 54 H SER 54 -11.897 -0.127 13.186 370 HA SER 54 HA SER 54 -9.530 -1.695 12.481 371 HB2 SER 54 1HB SER 54 -11.529 -2.691 13.724 372 HB3 SER 54 2HB SER 54 -12.406 -2.566 12.199 373 HG SER 54 HG SER 54 -11.193 -4.610 12.750 374 H SER 55 H SER 55 -11.630 0.503 11.083 375 HA SER 55 HA SER 55 -12.178 -0.446 8.556 376 HB2 SER 55 1HB SER 55 -11.413 2.358 9.399 377 HB3 SER 55 2HB SER 55 -12.094 1.950 7.824 378 HG SER 55 HG SER 55 -13.568 2.650 9.621 379 H VAL 56 H VAL 56 -9.176 0.959 9.771 380 HA VAL 56 HA VAL 56 -7.891 0.527 7.176 381 HB VAL 56 HB VAL 56 -7.476 2.692 8.185 382 HG11 VAL 56 1HG1 VAL 56 -5.963 2.606 10.319 383 HG12 VAL 56 2HG1 VAL 56 -7.719 2.509 10.465 384 HG13 VAL 56 3HG1 VAL 56 -6.742 1.042 10.560 385 HG21 VAL 56 1HG2 VAL 56 -5.065 0.882 8.264 386 HG22 VAL 56 2HG2 VAL 56 -5.680 1.762 6.865 387 HG23 VAL 56 3HG2 VAL 56 -5.001 2.644 8.233 388 H ARG 57 H ARG 57 -6.180 -0.856 6.874 389 HA ARG 57 HA ARG 57 -5.621 -2.708 9.098 390 HB2 ARG 57 1HB ARG 57 -5.967 -3.158 6.157 391 HB3 ARG 57 2HB ARG 57 -4.943 -4.246 7.085 392 HG2 ARG 57 1HG ARG 57 -7.167 -5.157 6.897 393 HG3 ARG 57 2HG ARG 57 -6.835 -4.727 8.576 394 HD2 ARG 57 1HD ARG 57 -8.271 -2.916 8.534 395 HD3 ARG 57 2HD ARG 57 -8.184 -2.759 6.780 396 HE ARG 57 HE ARG 57 -9.912 -4.251 6.596 397 HH11 ARG 57 2HH1 ARG 57 -8.599 -4.412 9.817 398 HH12 ARG 57 1HH1 ARG 57 -9.853 -5.446 10.417 399 HH21 ARG 57 2HH2 ARG 57 -11.568 -5.612 7.374 400 HH22 ARG 57 1HH2 ARG 57 -11.541 -6.129 9.026 401 H PHE 58 H PHE 58 -3.454 -3.909 8.685 402 HA PHE 58 HA PHE 58 -1.428 -2.097 7.594 403 HB2 PHE 58 1HB PHE 58 -1.713 -2.956 10.428 404 HB3 PHE 58 2HB PHE 58 -0.084 -2.896 9.762 405 HD1 PHE 58 2HD PHE 58 -3.171 -0.807 9.920 406 HD2 PHE 58 1HD PHE 58 1.084 -0.930 9.944 407 HE1 PHE 58 2HE PHE 58 -3.106 1.621 10.313 408 HE2 PHE 58 1HE PHE 58 1.155 1.497 10.337 409 HZ PHE 58 HZ PHE 58 -0.941 2.776 10.521 410 H LEU 59 H LEU 59 -0.105 -3.168 6.292 411 HA LEU 59 HA LEU 59 0.279 -6.055 6.743 412 HB2 LEU 59 1HB LEU 59 -0.983 -5.828 4.761 413 HB3 LEU 59 2HB LEU 59 0.015 -4.492 4.191 414 HG LEU 59 HG LEU 59 1.890 -6.359 4.200 415 HD11 LEU 59 1HD1 LEU 59 -0.064 -7.930 5.081 416 HD12 LEU 59 2HD1 LEU 59 1.221 -8.521 4.028 417 HD13 LEU 59 3HD1 LEU 59 -0.350 -8.100 3.349 418 HD21 LEU 59 1HD2 LEU 59 -0.104 -6.460 1.971 419 HD22 LEU 59 2HD2 LEU 59 1.659 -6.469 1.898 420 HD23 LEU 59 3HD2 LEU 59 0.799 -4.981 2.298 421 H LYS 60 H LYS 60 2.298 -6.701 7.090 422 HA LYS 60 HA LYS 60 4.476 -4.798 6.576 423 HB2 LYS 60 1HB LYS 60 4.103 -7.030 8.544 424 HB3 LYS 60 2HB LYS 60 5.724 -6.493 8.124 425 HG2 LYS 60 1HG LYS 60 5.462 -4.454 9.135 426 HG3 LYS 60 2HG LYS 60 3.707 -4.464 8.948 427 HD2 LYS 60 1HD LYS 60 3.549 -6.218 10.661 428 HD3 LYS 60 2HD LYS 60 5.302 -6.173 10.859 429 HE2 LYS 60 1HE LYS 60 5.112 -3.780 11.492 430 HE3 LYS 60 2HE LYS 60 3.357 -3.935 11.413 431 HZ1 LYS 60 1HZ LYS 60 4.012 -4.187 13.666 432 HZ2 LYS 60 2HZ LYS 60 5.199 -5.327 13.275 433 HZ3 LYS 60 3HZ LYS 60 3.562 -5.721 13.113 434 H THR 61 H THR 61 5.631 -5.143 4.807 435 HA THR 61 HA THR 61 6.153 -7.924 3.985 436 HB THR 61 HB THR 61 4.787 -7.348 2.242 437 HG1 THR 61 1HG THR 61 6.192 -7.391 0.659 438 HG21 THR 61 1HG2 THR 61 5.799 -4.507 2.253 439 HG22 THR 61 2HG2 THR 61 4.388 -5.044 3.165 440 HG23 THR 61 3HG2 THR 61 4.392 -5.146 1.405 441 H SER 62 H SER 62 8.206 -8.407 3.315 442 HA SER 62 HA SER 62 10.226 -6.361 3.855 443 HB2 SER 62 1HB SER 62 11.813 -8.207 3.991 444 HB3 SER 62 2HB SER 62 10.412 -8.553 5.005 445 HG SER 62 HG SER 62 9.654 -9.666 2.942 446 H GLU 63 H GLU 63 8.534 -6.807 1.318 447 HA GLU 63 HA GLU 63 10.805 -6.629 -0.543 448 HB2 GLU 63 1HB GLU 63 8.333 -8.304 -0.765 449 HB3 GLU 63 2HB GLU 63 9.081 -7.671 -2.225 450 HG2 GLU 63 1HG GLU 63 10.952 -8.968 -2.001 451 HG3 GLU 63 2HG GLU 63 10.788 -9.094 -0.250 452 H ASN 64 H ASN 64 10.135 -5.600 -2.656 453 HA ASN 64 HA ASN 64 8.641 -3.188 -2.044 454 HB2 ASN 64 1HB ASN 64 9.668 -2.220 -3.902 455 HB3 ASN 64 2HB ASN 64 10.895 -3.345 -3.326 456 HD21 ASN 64 1HD2 ASN 64 10.715 -2.297 -5.944 457 HD22 ASN 64 2HD2 ASN 64 10.436 -3.618 -7.022 458 H ARG 65 H ARG 65 7.345 -5.873 -2.459 459 HA ARG 65 HA ARG 65 5.226 -4.917 -4.198 460 HB2 ARG 65 1HB ARG 65 5.176 -7.117 -5.432 461 HB3 ARG 65 2HB ARG 65 6.522 -6.059 -5.835 462 HG2 ARG 65 1HG ARG 65 7.739 -7.467 -3.968 463 HG3 ARG 65 2HG ARG 65 6.510 -8.657 -4.401 464 HD2 ARG 65 1HD ARG 65 8.381 -7.311 -6.346 465 HD3 ARG 65 2HD ARG 65 8.613 -8.925 -5.674 466 HE ARG 65 HE ARG 65 6.182 -9.139 -6.765 467 HH11 ARG 65 2HH1 ARG 65 9.161 -7.836 -8.011 468 HH12 ARG 65 1HH1 ARG 65 8.801 -8.241 -9.657 469 HH21 ARG 65 2HH2 ARG 65 5.698 -9.677 -8.928 470 HH22 ARG 65 1HH2 ARG 65 6.831 -9.287 -10.178 471 H ALA 66 H ALA 66 3.320 -5.370 -3.313 472 HA ALA 66 HA ALA 66 3.109 -7.697 -1.522 473 HB1 ALA 66 1HB ALA 66 2.417 -4.855 -0.981 474 HB2 ALA 66 2HB ALA 66 1.400 -6.118 -0.284 475 HB3 ALA 66 3HB ALA 66 3.124 -6.071 0.084 476 H GLU 67 H GLU 67 1.307 -8.918 -1.742 477 HA GLU 67 HA GLU 67 -0.626 -8.060 -3.786 478 HB2 GLU 67 1HB GLU 67 0.642 -10.135 -4.265 479 HB3 GLU 67 2HB GLU 67 -0.021 -10.854 -2.804 480 HG2 GLU 67 1HG GLU 67 -1.467 -11.711 -4.319 481 HG3 GLU 67 2HG GLU 67 -2.309 -10.207 -3.951 482 H LEU 68 H LEU 68 -2.580 -7.490 -3.124 483 HA LEU 68 HA LEU 68 -3.468 -8.316 -0.452 484 HB2 LEU 68 1HB LEU 68 -4.650 -6.176 -2.207 485 HB3 LEU 68 2HB LEU 68 -4.960 -6.451 -0.494 486 HG LEU 68 HG LEU 68 -2.388 -5.444 -1.709 487 HD11 LEU 68 1HD1 LEU 68 -4.485 -4.090 -0.020 488 HD12 LEU 68 2HD1 LEU 68 -4.130 -3.766 -1.716 489 HD13 LEU 68 3HD1 LEU 68 -2.934 -3.386 -0.478 490 HD21 LEU 68 1HD2 LEU 68 -1.387 -6.155 0.140 491 HD22 LEU 68 2HD2 LEU 68 -2.916 -6.732 0.804 492 HD23 LEU 68 3HD2 LEU 68 -2.416 -5.060 1.065 493 H ARG 69 H ARG 69 -4.776 -10.011 -0.389 494 HA ARG 69 HA ARG 69 -6.597 -10.481 -2.652 495 HB2 ARG 69 1HB ARG 69 -5.601 -12.418 -0.554 496 HB3 ARG 69 2HB ARG 69 -6.687 -12.817 -1.878 497 HG2 ARG 69 1HG ARG 69 -4.726 -13.508 -2.785 498 HG3 ARG 69 2HG ARG 69 -4.709 -11.827 -3.324 499 HD2 ARG 69 1HD ARG 69 -2.566 -12.192 -2.451 500 HD3 ARG 69 2HD ARG 69 -3.427 -11.331 -1.176 501 HE ARG 69 HE ARG 69 -3.741 -14.049 -0.695 502 HH11 ARG 69 2HH1 ARG 69 -1.166 -11.710 -0.824 503 HH12 ARG 69 1HH1 ARG 69 -0.178 -12.540 0.333 504 HH21 ARG 69 2HH2 ARG 69 -2.450 -15.151 0.829 505 HH22 ARG 69 1HH2 ARG 69 -0.909 -14.498 1.272 506 H GLY 70 H GLY 70 -8.761 -10.557 -2.349 507 HA2 GLY 70 1HA GLY 70 -10.763 -10.803 -1.142 508 HA3 GLY 70 2HA GLY 70 -9.844 -10.729 0.354 509 H LEU 71 H LEU 71 -11.009 -8.761 -2.349 510 HA LEU 71 HA LEU 71 -11.503 -6.577 -0.482 511 HB2 LEU 71 1HB LEU 71 -10.017 -6.123 -3.060 512 HB3 LEU 71 2HB LEU 71 -10.411 -4.924 -1.830 513 HG LEU 71 HG LEU 71 -8.635 -7.243 -1.168 514 HD11 LEU 71 1HD1 LEU 71 -6.949 -6.521 -2.413 515 HD12 LEU 71 2HD1 LEU 71 -7.136 -4.879 -1.797 516 HD13 LEU 71 3HD1 LEU 71 -8.062 -5.403 -3.204 517 HD21 LEU 71 1HD2 LEU 71 -9.157 -4.498 -0.084 518 HD22 LEU 71 2HD2 LEU 71 -7.666 -5.361 0.296 519 HD23 LEU 71 3HD2 LEU 71 -9.226 -6.054 0.744 520 H LYS 72 H LYS 72 -12.506 -4.663 -1.907 521 HA LYS 72 HA LYS 72 -14.680 -5.923 -3.426 522 HB2 LYS 72 1HB LYS 72 -14.510 -3.220 -2.082 523 HB3 LYS 72 2HB LYS 72 -15.891 -3.780 -3.017 524 HG2 LYS 72 1HG LYS 72 -16.200 -5.627 -1.435 525 HG3 LYS 72 2HG LYS 72 -14.834 -5.032 -0.489 526 HD2 LYS 72 1HD LYS 72 -15.985 -3.137 0.211 527 HD3 LYS 72 2HD LYS 72 -17.147 -3.235 -1.114 528 HE2 LYS 72 1HE LYS 72 -16.967 -5.257 1.112 529 HE3 LYS 72 2HE LYS 72 -18.047 -3.864 1.142 530 HZ1 LYS 72 1HZ LYS 72 -18.089 -5.790 -1.097 531 HZ2 LYS 72 2HZ LYS 72 -19.288 -4.694 -0.625 532 HZ3 LYS 72 3HZ LYS 72 -18.979 -6.067 0.315 533 H ARG 73 H ARG 73 -15.102 -5.402 -5.510 534 HA ARG 73 HA ARG 73 -13.088 -3.825 -6.902 535 HB2 ARG 73 1HB ARG 73 -13.932 -4.800 -8.922 536 HB3 ARG 73 2HB ARG 73 -13.788 -6.081 -7.726 537 HG2 ARG 73 1HG ARG 73 -16.401 -4.693 -8.007 538 HG3 ARG 73 2HG ARG 73 -15.918 -5.856 -9.243 539 HD2 ARG 73 1HD ARG 73 -15.357 -7.321 -7.105 540 HD3 ARG 73 2HD ARG 73 -16.582 -6.281 -6.379 541 HE ARG 73 HE ARG 73 -17.585 -7.254 -8.799 542 HH11 ARG 73 2HH1 ARG 73 -16.667 -8.431 -5.654 543 HH12 ARG 73 1HH1 ARG 73 -17.787 -9.753 -5.677 544 HH21 ARG 73 2HH2 ARG 73 -19.064 -8.990 -8.842 545 HH22 ARG 73 1HH2 ARG 73 -19.149 -10.070 -7.492 546 H GLY 74 H GLY 74 -15.458 -2.786 -5.218 547 HA2 GLY 74 1HA GLY 74 -16.155 -0.666 -7.106 548 HA3 GLY 74 2HA GLY 74 -17.483 -1.573 -6.398 549 H ALA 75 H ALA 75 -14.436 -0.350 -5.022 550 HA ALA 75 HA ALA 75 -15.823 1.624 -3.444 551 HB1 ALA 75 1HB ALA 75 -14.820 0.578 -1.294 552 HB2 ALA 75 2HB ALA 75 -16.336 -0.055 -1.937 553 HB3 ALA 75 3HB ALA 75 -14.826 -0.919 -2.227 554 H SER 76 H SER 76 -14.525 3.323 -3.245 555 HA SER 76 HA SER 76 -11.934 3.430 -4.241 556 HB2 SER 76 1HB SER 76 -13.370 5.227 -2.283 557 HB3 SER 76 2HB SER 76 -11.774 5.600 -2.933 558 HG SER 76 HG SER 76 -12.984 5.160 -5.057 559 H TYR 77 H TYR 77 -9.979 2.956 -3.456 560 HA TYR 77 HA TYR 77 -9.697 2.483 -0.567 561 HB2 TYR 77 1HB TYR 77 -9.041 0.653 -2.833 562 HB3 TYR 77 2HB TYR 77 -7.994 0.643 -1.419 563 HD1 TYR 77 1HD TYR 77 -9.237 0.415 0.887 564 HD2 TYR 77 2HD TYR 77 -10.897 -0.729 -2.859 565 HE1 TYR 77 1HE TYR 77 -10.810 -1.078 2.047 566 HE2 TYR 77 2HE TYR 77 -12.476 -2.224 -1.710 567 HH TYR 77 HH TYR 77 -13.360 -2.771 0.305 568 H LEU 78 H LEU 78 -8.326 3.972 0.145 569 HA LEU 78 HA LEU 78 -6.231 5.004 -1.590 570 HB2 LEU 78 1HB LEU 78 -7.427 5.820 1.015 571 HB3 LEU 78 2HB LEU 78 -5.813 6.393 0.600 572 HG LEU 78 HG LEU 78 -6.908 7.238 -1.576 573 HD11 LEU 78 1HD1 LEU 78 -9.340 7.915 -1.031 574 HD12 LEU 78 2HD1 LEU 78 -9.289 6.570 0.108 575 HD13 LEU 78 3HD1 LEU 78 -9.017 6.280 -1.610 576 HD21 LEU 78 1HD2 LEU 78 -8.059 8.950 0.421 577 HD22 LEU 78 2HD2 LEU 78 -6.639 9.211 -0.593 578 HD23 LEU 78 3HD2 LEU 78 -6.479 8.373 0.951 579 H VAL 79 H VAL 79 -4.591 3.562 -1.736 580 HA VAL 79 HA VAL 79 -3.560 2.292 0.682 581 HB VAL 79 HB VAL 79 -2.632 1.936 -2.171 582 HG11 VAL 79 1HG1 VAL 79 -1.813 0.821 0.424 583 HG12 VAL 79 2HG1 VAL 79 -2.029 -0.359 -0.871 584 HG13 VAL 79 3HG1 VAL 79 -0.907 0.986 -1.080 585 HG21 VAL 79 1HG2 VAL 79 -3.904 -0.307 -1.808 586 HG22 VAL 79 2HG2 VAL 79 -4.793 0.607 -0.589 587 HG23 VAL 79 3HG2 VAL 79 -4.799 1.141 -2.270 588 H GLN 80 H GLN 80 -1.508 2.602 1.487 589 HA GLN 80 HA GLN 80 0.189 4.613 0.202 590 HB2 GLN 80 1HB GLN 80 -0.924 4.741 2.990 591 HB3 GLN 80 2HB GLN 80 0.596 5.528 2.588 592 HG2 GLN 80 1HG GLN 80 -0.444 6.989 1.063 593 HG3 GLN 80 2HG GLN 80 -1.935 6.048 1.064 594 HE21 GLN 80 1HE2 GLN 80 0.058 8.264 2.879 595 HE22 GLN 80 2HE2 GLN 80 -1.169 8.770 3.985 596 H VAL 81 H VAL 81 2.133 3.756 -0.050 597 HA VAL 81 HA VAL 81 3.028 1.679 1.827 598 HB VAL 81 HB VAL 81 4.067 2.333 -0.935 599 HG11 VAL 81 1HG1 VAL 81 4.713 -0.245 0.321 600 HG12 VAL 81 2HG1 VAL 81 5.718 0.828 -0.655 601 HG13 VAL 81 3HG1 VAL 81 5.475 1.163 1.060 602 HG21 VAL 81 1HG2 VAL 81 1.960 0.536 0.061 603 HG22 VAL 81 2HG2 VAL 81 2.172 1.267 -1.530 604 HG23 VAL 81 3HG2 VAL 81 3.084 -0.179 -1.095 605 H ARG 82 H ARG 82 4.737 1.992 3.117 606 HA ARG 82 HA ARG 82 6.425 4.358 2.638 607 HB2 ARG 82 1HB ARG 82 6.471 4.862 4.963 608 HB3 ARG 82 2HB ARG 82 4.781 4.628 4.534 609 HG2 ARG 82 1HG ARG 82 4.675 2.554 5.612 610 HG3 ARG 82 2HG ARG 82 6.432 2.409 5.689 611 HD2 ARG 82 1HD ARG 82 6.604 4.000 7.396 612 HD3 ARG 82 2HD ARG 82 4.986 4.631 7.090 613 HE ARG 82 HE ARG 82 5.080 1.879 7.968 614 HH11 ARG 82 2HH1 ARG 82 4.824 5.223 8.904 615 HH12 ARG 82 1HH1 ARG 82 4.072 4.875 10.426 616 HH21 ARG 82 2HH2 ARG 82 4.091 1.408 9.969 617 HH22 ARG 82 1HH2 ARG 82 3.657 2.705 11.031 618 H ALA 83 H ALA 83 8.597 4.220 3.435 619 HA ALA 83 HA ALA 83 9.555 1.441 3.606 620 HB1 ALA 83 1HB ALA 83 11.255 3.794 2.842 621 HB2 ALA 83 2HB ALA 83 11.537 2.080 2.534 622 HB3 ALA 83 3HB ALA 83 10.266 2.936 1.660 623 H ARG 84 H ARG 84 11.480 1.068 4.935 624 HA ARG 84 HA ARG 84 11.681 2.937 7.202 625 HB2 ARG 84 1HB ARG 84 10.323 0.923 7.771 626 HB3 ARG 84 2HB ARG 84 11.722 -0.078 7.405 627 HG2 ARG 84 1HG ARG 84 12.876 1.513 9.170 628 HG3 ARG 84 2HG ARG 84 11.210 1.699 9.723 629 HD2 ARG 84 1HD ARG 84 12.240 -1.043 9.188 630 HD3 ARG 84 2HD ARG 84 12.767 -0.217 10.654 631 HE ARG 84 HE ARG 84 9.923 -0.165 10.276 632 HH11 ARG 84 2HH1 ARG 84 12.604 -2.013 11.507 633 HH12 ARG 84 1HH1 ARG 84 11.639 -2.910 12.632 634 HH21 ARG 84 2HH2 ARG 84 8.641 -1.339 11.754 635 HH22 ARG 84 1HH2 ARG 84 9.385 -2.526 12.771 636 H SER 85 H SER 85 13.702 3.148 8.159 637 HA SER 85 HA SER 85 15.927 1.732 6.858 638 HB2 SER 85 1HB SER 85 17.220 3.784 6.735 639 HB3 SER 85 2HB SER 85 15.686 4.019 5.898 640 HG SER 85 HG SER 85 16.563 5.067 8.348 641 H GLU 86 H GLU 86 18.015 2.064 8.121 642 HA GLU 86 HA GLU 86 18.018 0.892 10.519 643 HB2 GLU 86 1HB GLU 86 19.795 3.167 9.638 644 HB3 GLU 86 2HB GLU 86 20.100 2.210 11.080 645 HG2 GLU 86 1HG GLU 86 20.002 0.188 9.483 646 HG3 GLU 86 2HG GLU 86 20.230 1.386 8.211 647 H ALA 87 H ALA 87 17.503 4.358 10.022 648 HA ALA 87 HA ALA 87 17.360 5.078 12.743 649 HB1 ALA 87 1HB ALA 87 16.723 6.334 10.167 650 HB2 ALA 87 2HB ALA 87 15.793 6.935 11.540 651 HB3 ALA 87 3HB ALA 87 17.555 6.988 11.578 652 H GLY 88 H GLY 88 14.710 4.612 10.389 653 HA2 GLY 88 1HA GLY 88 13.071 3.037 11.951 654 HA3 GLY 88 2HA GLY 88 12.687 4.692 12.401 655 H TYR 89 H TYR 89 10.541 4.034 11.569 656 HA TYR 89 HA TYR 89 10.141 3.510 8.814 657 HB2 TYR 89 1HB TYR 89 8.408 4.214 11.129 658 HB3 TYR 89 2HB TYR 89 7.746 4.459 9.517 659 HD1 TYR 89 2HD TYR 89 8.547 2.273 7.933 660 HD2 TYR 89 1HD TYR 89 7.619 2.276 12.086 661 HE1 TYR 89 2HE TYR 89 7.973 -0.115 7.801 662 HE2 TYR 89 1HE TYR 89 7.044 -0.112 11.965 663 HH TYR 89 HH TYR 89 6.914 -1.818 8.903 664 H GLY 90 H GLY 90 9.487 4.855 7.143 665 HA2 GLY 90 1HA GLY 90 10.132 7.697 7.560 666 HA3 GLY 90 2HA GLY 90 10.192 6.854 6.019 667 HA PRO 91 HA PRO 91 6.170 9.260 6.522 668 HB2 PRO 91 1HB PRO 91 6.574 10.982 4.462 669 HB3 PRO 91 2HB PRO 91 7.101 11.320 6.115 670 HG2 PRO 91 1HG PRO 91 8.687 10.291 3.794 671 HG3 PRO 91 2HG PRO 91 9.129 11.520 4.994 672 HD2 PRO 91 1HD PRO 91 10.014 8.965 5.132 673 HD3 PRO 91 2HD PRO 91 9.704 9.947 6.578 674 H PHE 92 H PHE 92 4.380 8.742 5.362 675 HA PHE 92 HA PHE 92 4.477 6.687 3.461 676 HB2 PHE 92 1HB PHE 92 2.353 8.536 4.457 677 HB3 PHE 92 2HB PHE 92 2.027 7.585 3.011 678 HD1 PHE 92 1HD PHE 92 2.590 5.024 3.230 679 HD2 PHE 92 2HD PHE 92 1.839 7.636 6.505 680 HE1 PHE 92 1HE PHE 92 2.000 3.090 4.632 681 HE2 PHE 92 2HE PHE 92 1.248 5.707 7.913 682 HZ PHE 92 HZ PHE 92 1.329 3.430 6.977 683 H GLY 93 H GLY 93 4.010 6.669 1.225 684 HA2 GLY 93 1HA GLY 93 5.144 8.907 -0.193 685 HA3 GLY 93 2HA GLY 93 4.575 7.401 -0.899 686 H GLN 94 H GLN 94 4.034 9.598 -2.292 687 HA GLN 94 HA GLN 94 1.841 11.149 -1.758 688 HB2 GLN 94 1HB GLN 94 3.289 11.327 -3.775 689 HB3 GLN 94 2HB GLN 94 2.479 9.916 -4.443 690 HG2 GLN 94 1HG GLN 94 0.322 11.227 -4.215 691 HG3 GLN 94 2HG GLN 94 1.335 12.638 -3.913 692 HE21 GLN 94 1HE2 GLN 94 1.571 13.840 -5.641 693 HE22 GLN 94 2HE2 GLN 94 1.700 13.280 -7.271 694 H GLU 95 H GLU 95 -0.153 10.651 -1.162 695 HA GLU 95 HA GLU 95 -1.344 8.262 -0.900 696 HB2 GLU 95 1HB GLU 95 -3.562 9.492 -1.395 697 HB3 GLU 95 2HB GLU 95 -2.565 10.062 -0.065 698 HG2 GLU 95 1HG GLU 95 -3.015 12.050 -1.040 699 HG3 GLU 95 2HG GLU 95 -1.575 11.620 -1.961 700 H HIS 96 H HIS 96 -2.565 6.827 -2.094 701 HA HIS 96 HA HIS 96 -2.676 7.281 -4.999 702 HB2 HIS 96 1HB HIS 96 -0.901 5.767 -4.860 703 HB3 HIS 96 2HB HIS 96 -1.623 4.896 -3.510 704 HD1 HIS 96 1HD HIS 96 -3.551 3.210 -4.095 705 HD2 HIS 96 2HD HIS 96 -1.604 4.858 -7.374 706 HE1 HIS 96 1HE HIS 96 -4.208 1.779 -6.056 707 HE2 HIS 96 2HE HIS 96 -2.950 2.744 -8.013 708 H HIS 97 H HIS 97 -4.258 5.859 -6.104 709 HA HIS 97 HA HIS 97 -6.393 4.831 -4.402 710 HB2 HIS 97 1HB HIS 97 -7.990 6.087 -6.103 711 HB3 HIS 97 2HB HIS 97 -7.398 6.883 -4.648 712 HD1 HIS 97 1HD HIS 97 -6.431 6.601 -8.316 713 HD2 HIS 97 2HD HIS 97 -6.197 9.260 -5.133 714 HE1 HIS 97 1HE HIS 97 -5.445 8.708 -9.271 715 HE2 HIS 97 2HE HIS 97 -5.235 10.273 -7.309 716 H SER 98 H SER 98 -6.544 2.799 -5.092 717 HA SER 98 HA SER 98 -5.779 1.872 -7.625 718 HB2 SER 98 1HB SER 98 -6.931 -0.226 -6.988 719 HB3 SER 98 2HB SER 98 -5.909 0.387 -5.688 720 HG SER 98 HG SER 98 -7.618 0.510 -4.489 721 H GLN 99 H GLN 99 -7.153 0.868 -9.265 722 HA GLN 99 HA GLN 99 -9.756 2.221 -9.531 723 HB2 GLN 99 1HB GLN 99 -7.978 3.154 -11.031 724 HB3 GLN 99 2HB GLN 99 -7.864 1.574 -11.796 725 HG2 GLN 99 1HG GLN 99 -10.285 1.770 -12.374 726 HG3 GLN 99 2HG GLN 99 -10.230 3.429 -11.780 727 HE21 GLN 99 1HE2 GLN 99 -10.861 4.053 -13.915 728 HE22 GLN 99 2HE2 GLN 99 -9.682 4.161 -15.172 729 H THR 100 H THR 100 -10.902 0.437 -8.776 730 HA THR 100 HA THR 100 -10.572 -2.129 -10.099 731 HB THR 100 HB THR 100 -12.239 -2.969 -8.537 732 HG1 THR 100 1HG THR 100 -13.446 -0.906 -8.508 733 HG21 THR 100 1HG2 THR 100 -11.056 -2.564 -6.436 734 HG22 THR 100 2HG2 THR 100 -10.241 -1.174 -7.154 735 HG23 THR 100 3HG2 THR 100 -9.917 -2.798 -7.762 736 H GLN 101 H GLN 101 -11.382 -0.096 -11.843 737 HA GLN 101 HA GLN 101 -12.844 0.194 -13.567 738 HB2 GLN 101 1HB GLN 101 -13.016 -2.378 -13.273 739 HB3 GLN 101 2HB GLN 101 -14.562 -2.030 -12.510 740 HG2 GLN 101 1HG GLN 101 -14.007 -0.831 -15.168 741 HG3 GLN 101 2HG GLN 101 -14.367 -2.554 -15.082 742 HE21 GLN 101 1HE2 GLN 101 -15.710 0.349 -15.604 743 HE22 GLN 101 2HE2 GLN 101 -17.331 0.038 -15.094 744 H LEU 102 H LEU 102 -13.135 1.587 -11.082 745 HA LEU 102 HA LEU 102 -15.827 1.733 -10.246 746 HB2 LEU 102 1HB LEU 102 -13.502 3.620 -10.040 747 HB3 LEU 102 2HB LEU 102 -15.096 4.040 -9.415 748 HG LEU 102 HG LEU 102 -13.778 1.511 -8.519 749 HD11 LEU 102 1HD1 LEU 102 -12.298 3.702 -8.352 750 HD12 LEU 102 2HD1 LEU 102 -12.358 2.512 -7.052 751 HD13 LEU 102 3HD1 LEU 102 -13.324 3.984 -6.945 752 HD21 LEU 102 1HD2 LEU 102 -15.348 1.521 -6.911 753 HD22 LEU 102 2HD2 LEU 102 -16.201 2.610 -8.006 754 HD23 LEU 102 3HD2 LEU 102 -15.245 3.266 -6.675 755 H ASP 103 H ASP 103 -13.949 3.827 -12.432 756 HA ASP 103 HA ASP 103 -16.315 4.338 -14.013 757 HB2 ASP 103 1HB ASP 103 -15.103 6.397 -12.222 758 HB3 ASP 103 2HB ASP 103 -15.695 6.907 -13.800 759 H SER 104 H SER 104 -15.856 5.086 -16.083 760 HA SER 104 HA SER 104 -13.141 4.626 -16.950 761 HB2 SER 104 1HB SER 104 -15.347 3.943 -18.157 762 HB3 SER 104 2HB SER 104 -15.342 5.604 -18.748 763 HG SER 104 HG SER 104 -14.209 3.822 -19.998 764 H GLY 105 H GLY 105 -12.294 6.189 -18.719 765 HA2 GLY 105 1HA GLY 105 -12.350 8.567 -19.419 766 HA3 GLY 105 2HA GLY 105 -12.636 8.954 -17.729 767 HA PRO 106 HA PRO 106 -7.999 7.599 -18.401 768 HB2 PRO 106 1HB PRO 106 -7.061 8.254 -20.863 769 HB3 PRO 106 2HB PRO 106 -7.744 6.668 -20.486 770 HG2 PRO 106 1HG PRO 106 -9.028 9.013 -21.833 771 HG3 PRO 106 2HG PRO 106 -9.119 7.293 -22.254 772 HD2 PRO 106 1HD PRO 106 -11.092 8.570 -20.908 773 HD3 PRO 106 2HD PRO 106 -10.713 6.855 -20.648 774 H SER 107 H SER 107 -6.058 8.979 -18.515 775 HA SER 107 HA SER 107 -6.769 11.747 -17.986 776 HB2 SER 107 1HB SER 107 -5.145 10.205 -16.610 777 HB3 SER 107 2HB SER 107 -3.963 10.710 -17.816 778 HG SER 107 HG SER 107 -3.992 12.692 -17.041 779 H SER 108 H SER 108 -5.406 13.505 -18.840 780 HA SER 108 HA SER 108 -4.329 12.929 -21.515 781 HB2 SER 108 1HB SER 108 -6.697 13.922 -21.522 782 HB3 SER 108 2HB SER 108 -5.948 15.408 -20.939 783 HG SER 108 HG SER 108 -6.172 15.255 -23.264 784 H GLY 109 H GLY 109 -3.093 14.905 -22.370 785 HA2 GLY 109 1HA GLY 109 -2.030 17.017 -21.305 786 HA3 GLY 109 2HA GLY 109 -1.361 15.839 -20.186 Start of MODEL 11 1 H1 GLY 1 H GLY 1 17.108 16.052 1.856 2 HA2 GLY 1 1HA GLY 1 16.591 18.057 3.874 3 HA3 GLY 1 2HA GLY 1 16.780 16.330 4.140 4 H SER 2 H SER 2 17.933 18.689 5.540 5 HA SER 2 HA SER 2 20.788 18.075 5.146 6 HB2 SER 2 1HB SER 2 21.238 20.298 6.172 7 HB3 SER 2 2HB SER 2 20.320 20.411 4.670 8 HG SER 2 HG SER 2 18.412 20.467 6.092 9 H SER 3 H SER 3 18.381 18.926 7.621 10 HA SER 3 HA SER 3 19.858 18.526 9.902 11 HB2 SER 3 1HB SER 3 17.708 17.943 11.014 12 HB3 SER 3 2HB SER 3 17.581 19.372 9.988 13 HG SER 3 HG SER 3 15.835 17.978 9.624 14 H GLY 4 H GLY 4 18.125 16.081 7.996 15 HA2 GLY 4 1HA GLY 4 19.376 13.938 7.752 16 HA3 GLY 4 2HA GLY 4 19.617 14.013 9.491 17 H SER 5 H SER 5 16.978 14.045 7.098 18 HA SER 5 HA SER 5 14.790 13.499 8.521 19 HB2 SER 5 1HB SER 5 13.944 12.135 6.676 20 HB3 SER 5 2HB SER 5 14.856 13.508 6.049 21 HG SER 5 HG SER 5 16.243 11.132 6.498 22 H SER 6 H SER 6 13.737 11.722 9.447 23 HA SER 6 HA SER 6 15.560 9.715 10.524 24 HB2 SER 6 1HB SER 6 13.650 9.175 12.044 25 HB3 SER 6 2HB SER 6 14.171 10.857 12.145 26 HG SER 6 HG SER 6 12.309 11.481 11.371 27 H GLY 7 H GLY 7 15.852 8.146 9.013 28 HA2 GLY 7 1HA GLY 7 15.100 5.973 8.342 29 HA3 GLY 7 2HA GLY 7 13.457 6.596 8.295 30 HA PRO 8 HA PRO 8 15.267 6.443 3.978 31 HB2 PRO 8 1HB PRO 8 13.330 4.863 2.920 32 HB3 PRO 8 2HB PRO 8 14.786 4.216 3.683 33 HG2 PRO 8 1HG PRO 8 12.032 4.527 4.815 34 HG3 PRO 8 2HG PRO 8 13.155 3.162 4.962 35 HD2 PRO 8 1HD PRO 8 12.822 4.993 6.929 36 HD3 PRO 8 2HD PRO 8 14.373 4.181 6.633 37 HA PRO 9 HA PRO 9 12.552 9.503 2.365 38 HB2 PRO 9 1HB PRO 9 12.633 9.007 -0.303 39 HB3 PRO 9 2HB PRO 9 13.991 9.708 0.586 40 HG2 PRO 9 1HG PRO 9 13.547 6.873 -0.269 41 HG3 PRO 9 2HG PRO 9 15.030 7.843 -0.338 42 HD2 PRO 9 1HD PRO 9 14.572 6.018 1.609 43 HD3 PRO 9 2HD PRO 9 15.508 7.500 1.891 44 H ALA 10 H ALA 10 10.423 9.832 1.922 45 HA ALA 10 HA ALA 10 8.570 7.784 2.191 46 HB1 ALA 10 1HB ALA 10 7.414 9.908 0.664 47 HB2 ALA 10 2HB ALA 10 7.186 9.508 2.368 48 HB3 ALA 10 3HB ALA 10 8.499 10.580 1.881 49 H VAL 11 H VAL 11 8.049 6.174 0.879 50 HA VAL 11 HA VAL 11 8.973 5.513 -1.535 51 HB VAL 11 HB VAL 11 6.099 5.167 -0.672 52 HG11 VAL 11 1HG1 VAL 11 6.165 3.204 -2.235 53 HG12 VAL 11 2HG1 VAL 11 6.187 4.784 -3.021 54 HG13 VAL 11 3HG1 VAL 11 7.676 3.849 -2.873 55 HG21 VAL 11 1HG2 VAL 11 7.178 3.988 0.934 56 HG22 VAL 11 2HG2 VAL 11 7.225 2.760 -0.330 57 HG23 VAL 11 3HG2 VAL 11 8.633 3.781 -0.039 58 H SER 12 H SER 12 8.454 5.801 -3.715 59 HA SER 12 HA SER 12 6.533 7.881 -4.416 60 HB2 SER 12 1HB SER 12 8.249 9.002 -5.878 61 HB3 SER 12 2HB SER 12 8.538 9.184 -4.148 62 HG SER 12 HG SER 12 10.154 8.151 -5.986 63 H ASP 13 H ASP 13 6.672 8.158 -6.964 64 HA ASP 13 HA ASP 13 5.986 7.140 -8.895 65 HB2 ASP 13 1HB ASP 13 8.637 5.928 -8.221 66 HB3 ASP 13 2HB ASP 13 7.749 5.320 -9.616 67 H ILE 14 H ILE 14 4.390 6.213 -7.004 68 HA ILE 14 HA ILE 14 4.461 3.313 -6.914 69 HB ILE 14 HB ILE 14 2.474 5.287 -5.786 70 HG12 ILE 14 1HG1 ILE 14 4.361 3.498 -4.266 71 HG13 ILE 14 2HG1 ILE 14 4.854 5.093 -4.823 72 HG21 ILE 14 1HG2 ILE 14 1.262 3.297 -6.211 73 HG22 ILE 14 2HG2 ILE 14 2.581 2.286 -5.624 74 HG23 ILE 14 3HG2 ILE 14 1.662 3.279 -4.494 75 HD11 ILE 14 1HD1 ILE 14 2.666 5.845 -3.592 76 HD12 ILE 14 2HD1 ILE 14 2.911 4.337 -2.710 77 HD13 ILE 14 3HD1 ILE 14 4.167 5.575 -2.706 78 H ARG 15 H ARG 15 3.827 2.263 -8.684 79 HA ARG 15 HA ARG 15 1.514 3.292 -10.183 80 HB2 ARG 15 1HB ARG 15 3.474 3.117 -11.570 81 HB3 ARG 15 2HB ARG 15 3.771 1.471 -11.026 82 HG2 ARG 15 1HG ARG 15 2.839 1.145 -13.106 83 HG3 ARG 15 2HG ARG 15 1.441 0.979 -12.043 84 HD2 ARG 15 1HD ARG 15 0.825 3.302 -12.487 85 HD3 ARG 15 2HD ARG 15 2.231 3.477 -13.536 86 HE ARG 15 HE ARG 15 0.420 1.354 -14.278 87 HH11 ARG 15 2HH1 ARG 15 1.267 4.709 -14.656 88 HH12 ARG 15 1HH1 ARG 15 0.472 4.872 -16.187 89 HH21 ARG 15 2HH2 ARG 15 -0.631 1.556 -16.292 90 HH22 ARG 15 1HH2 ARG 15 -0.609 3.078 -17.116 91 H VAL 16 H VAL 16 -0.196 1.941 -10.704 92 HA VAL 16 HA VAL 16 -0.649 -0.229 -8.866 93 HB VAL 16 HB VAL 16 -2.366 0.866 -11.096 94 HG11 VAL 16 1HG1 VAL 16 -4.009 -0.473 -9.328 95 HG12 VAL 16 2HG1 VAL 16 -3.509 -1.043 -10.922 96 HG13 VAL 16 3HG1 VAL 16 -2.614 -1.540 -9.486 97 HG21 VAL 16 1HG2 VAL 16 -1.756 1.967 -8.642 98 HG22 VAL 16 2HG2 VAL 16 -3.156 2.364 -9.639 99 HG23 VAL 16 3HG2 VAL 16 -3.299 1.161 -8.357 100 H THR 17 H THR 17 0.725 -1.899 -9.403 101 HA THR 17 HA THR 17 1.249 -2.859 -11.976 102 HB THR 17 HB THR 17 2.572 -3.472 -9.969 103 HG1 THR 17 1HG THR 17 1.626 -5.885 -11.080 104 HG21 THR 17 1HG2 THR 17 0.029 -4.871 -9.274 105 HG22 THR 17 2HG2 THR 17 1.139 -3.973 -8.238 106 HG23 THR 17 3HG2 THR 17 1.562 -5.595 -8.788 107 H ARG 18 H ARG 18 0.646 -5.132 -12.706 108 HA ARG 18 HA ARG 18 -1.838 -5.369 -13.620 109 HB2 ARG 18 1HB ARG 18 0.223 -7.045 -13.657 110 HB3 ARG 18 2HB ARG 18 -0.747 -7.887 -12.456 111 HG2 ARG 18 1HG ARG 18 -2.640 -7.859 -14.095 112 HG3 ARG 18 2HG ARG 18 -1.501 -7.240 -15.293 113 HD2 ARG 18 1HD ARG 18 -1.695 -9.629 -15.539 114 HD3 ARG 18 2HD ARG 18 -0.089 -9.235 -14.924 115 HE ARG 18 HE ARG 18 -1.629 -9.739 -12.703 116 HH11 ARG 18 2HH1 ARG 18 -0.687 -11.484 -15.564 117 HH12 ARG 18 1HH1 ARG 18 -0.740 -13.035 -14.794 118 HH21 ARG 18 2HH2 ARG 18 -1.703 -11.775 -11.677 119 HH22 ARG 18 1HH2 ARG 18 -1.319 -13.199 -12.583 120 H SER 19 H SER 19 -3.508 -4.625 -12.375 121 HA SER 19 HA SER 19 -3.987 -5.304 -9.694 122 HB2 SER 19 1HB SER 19 -5.604 -4.105 -11.896 123 HB3 SER 19 2HB SER 19 -6.459 -4.689 -10.468 124 HG SER 19 HG SER 19 -5.853 -2.507 -10.235 125 H SER 20 H SER 20 -6.348 -6.302 -9.225 126 HA SER 20 HA SER 20 -6.755 -8.739 -10.773 127 HB2 SER 20 1HB SER 20 -5.834 -8.658 -7.917 128 HB3 SER 20 2HB SER 20 -6.848 -9.986 -8.481 129 HG SER 20 HG SER 20 -5.105 -9.914 -10.294 130 HA PRO 21 HA PRO 21 -10.997 -8.081 -9.866 131 HB2 PRO 21 1HB PRO 21 -11.941 -10.624 -9.754 132 HB3 PRO 21 2HB PRO 21 -11.457 -9.844 -11.265 133 HG2 PRO 21 1HG PRO 21 -9.932 -11.770 -9.555 134 HG3 PRO 21 2HG PRO 21 -10.086 -11.721 -11.321 135 HD2 PRO 21 1HD PRO 21 -7.909 -10.771 -10.022 136 HD3 PRO 21 2HD PRO 21 -8.499 -10.064 -11.539 137 H SER 22 H SER 22 -9.722 -10.801 -7.933 138 HA SER 22 HA SER 22 -11.340 -9.860 -5.667 139 HB2 SER 22 1HB SER 22 -10.228 -12.550 -6.417 140 HB3 SER 22 2HB SER 22 -10.674 -12.201 -4.747 141 HG SER 22 HG SER 22 -12.722 -11.395 -5.980 142 H SER 23 H SER 23 -8.752 -8.727 -6.544 143 HA SER 23 HA SER 23 -7.554 -8.439 -3.997 144 HB2 SER 23 1HB SER 23 -5.297 -9.412 -4.685 145 HB3 SER 23 2HB SER 23 -6.561 -10.578 -4.293 146 HG SER 23 HG SER 23 -6.786 -11.068 -6.399 147 H LEU 24 H LEU 24 -5.477 -7.151 -4.151 148 HA LEU 24 HA LEU 24 -5.410 -5.529 -6.604 149 HB2 LEU 24 1HB LEU 24 -5.521 -4.591 -3.752 150 HB3 LEU 24 2HB LEU 24 -4.921 -3.566 -5.054 151 HG LEU 24 HG LEU 24 -7.664 -4.779 -5.166 152 HD11 LEU 24 1HD1 LEU 24 -6.978 -3.239 -3.070 153 HD12 LEU 24 2HD1 LEU 24 -8.580 -3.236 -3.805 154 HD13 LEU 24 3HD1 LEU 24 -7.407 -1.994 -4.242 155 HD21 LEU 24 1HD2 LEU 24 -8.111 -3.042 -6.718 156 HD22 LEU 24 2HD2 LEU 24 -6.564 -3.751 -7.183 157 HD23 LEU 24 3HD2 LEU 24 -6.606 -2.211 -6.324 158 H SER 25 H SER 25 -3.486 -5.953 -7.474 159 HA SER 25 HA SER 25 -1.180 -6.492 -5.793 160 HB2 SER 25 1HB SER 25 -1.843 -6.817 -8.675 161 HB3 SER 25 2HB SER 25 -0.144 -6.585 -8.262 162 HG SER 25 HG SER 25 -0.163 -8.427 -7.091 163 H LEU 26 H LEU 26 0.276 -5.022 -5.226 164 HA LEU 26 HA LEU 26 0.428 -2.524 -6.781 165 HB2 LEU 26 1HB LEU 26 0.908 -2.804 -3.822 166 HB3 LEU 26 2HB LEU 26 0.870 -1.311 -4.758 167 HG LEU 26 HG LEU 26 -1.580 -3.008 -4.667 168 HD11 LEU 26 1HD1 LEU 26 -0.737 -1.134 -2.461 169 HD12 LEU 26 2HD1 LEU 26 -0.855 -2.889 -2.335 170 HD13 LEU 26 3HD1 LEU 26 -2.306 -1.926 -2.613 171 HD21 LEU 26 1HD2 LEU 26 -2.529 -0.611 -4.559 172 HD22 LEU 26 2HD2 LEU 26 -1.824 -1.176 -6.074 173 HD23 LEU 26 3HD2 LEU 26 -0.900 -0.111 -5.013 174 H ALA 27 H ALA 27 2.495 -1.476 -6.836 175 HA ALA 27 HA ALA 27 4.835 -2.711 -5.780 176 HB1 ALA 27 1HB ALA 27 4.065 -3.276 -8.610 177 HB2 ALA 27 2HB ALA 27 5.768 -3.130 -8.176 178 HB3 ALA 27 3HB ALA 27 4.762 -4.352 -7.398 179 H TRP 28 H TRP 28 6.225 -1.112 -5.451 180 HA TRP 28 HA TRP 28 6.092 1.244 -7.215 181 HB2 TRP 28 1HB TRP 28 7.250 2.319 -5.098 182 HB3 TRP 28 2HB TRP 28 5.500 2.129 -5.173 183 HD1 TRP 28 HD TRP 28 8.258 1.548 -2.887 184 HE1 TRP 28 1HE TRP 28 7.625 -0.141 -1.051 185 HE3 TRP 28 3HE TRP 28 4.016 -0.383 -4.989 186 HZ2 TRP 28 2HZ TRP 28 5.596 -2.042 -0.560 187 HZ3 TRP 28 3HZ TRP 28 2.789 -2.134 -3.772 188 HH2 TRP 28 HH TRP 28 3.564 -2.945 -1.603 189 H ALA 29 H ALA 29 8.202 2.516 -7.225 190 HA ALA 29 HA ALA 29 10.314 0.698 -7.998 191 HB1 ALA 29 1HB ALA 29 9.858 2.583 -9.428 192 HB2 ALA 29 2HB ALA 29 10.141 3.706 -8.097 193 HB3 ALA 29 3HB ALA 29 11.475 2.749 -8.743 194 H VAL 30 H VAL 30 11.701 -0.070 -6.554 195 HA VAL 30 HA VAL 30 12.040 0.540 -3.950 196 HB VAL 30 HB VAL 30 13.200 -1.310 -5.164 197 HG11 VAL 30 1HG1 VAL 30 15.353 0.700 -5.766 198 HG12 VAL 30 2HG1 VAL 30 15.225 -0.971 -6.321 199 HG13 VAL 30 3HG1 VAL 30 14.117 0.254 -6.942 200 HG21 VAL 30 1HG2 VAL 30 14.952 0.382 -3.384 201 HG22 VAL 30 2HG2 VAL 30 13.736 -0.773 -2.839 202 HG23 VAL 30 3HG2 VAL 30 15.162 -1.338 -3.709 203 HA PRO 31 HA PRO 31 13.523 4.739 -3.974 204 HB2 PRO 31 1HB PRO 31 13.784 4.958 -1.280 205 HB3 PRO 31 2HB PRO 31 12.223 5.043 -2.104 206 HG2 PRO 31 1HG PRO 31 13.493 2.733 -0.685 207 HG3 PRO 31 2HG PRO 31 11.810 3.291 -0.632 208 HD2 PRO 31 1HD PRO 31 12.602 1.189 -2.145 209 HD3 PRO 31 2HD PRO 31 11.277 2.267 -2.627 210 H ARG 32 H ARG 32 15.352 5.858 -2.547 211 HA ARG 32 HA ARG 32 17.659 4.086 -2.252 212 HB2 ARG 32 1HB ARG 32 19.040 5.848 -3.493 213 HB3 ARG 32 2HB ARG 32 18.031 4.784 -4.464 214 HG2 ARG 32 1HG ARG 32 16.883 7.379 -3.594 215 HG3 ARG 32 2HG ARG 32 18.106 7.389 -4.866 216 HD2 ARG 32 1HD ARG 32 15.609 5.700 -4.909 217 HD3 ARG 32 2HD ARG 32 15.767 7.264 -5.708 218 HE ARG 32 HE ARG 32 17.819 5.435 -6.484 219 HH11 ARG 32 2HH1 ARG 32 14.504 6.346 -7.034 220 HH12 ARG 32 1HH1 ARG 32 14.466 5.727 -8.652 221 HH21 ARG 32 2HH2 ARG 32 17.781 4.615 -8.612 222 HH22 ARG 32 1HH2 ARG 32 16.330 4.741 -9.548 223 H ALA 33 H ALA 33 18.419 4.440 -0.281 224 HA ALA 33 HA ALA 33 18.146 7.119 0.895 225 HB1 ALA 33 1HB ALA 33 18.730 5.809 3.042 226 HB2 ALA 33 2HB ALA 33 17.122 5.622 2.342 227 HB3 ALA 33 3HB ALA 33 18.346 4.379 2.083 228 HA PRO 34 HA PRO 34 22.487 7.803 0.621 229 HB2 PRO 34 1HB PRO 34 22.763 9.620 2.620 230 HB3 PRO 34 2HB PRO 34 22.015 10.007 1.066 231 HG2 PRO 34 1HG PRO 34 20.716 9.338 3.679 232 HG3 PRO 34 2HG PRO 34 20.287 10.597 2.506 233 HD2 PRO 34 1HD PRO 34 18.962 8.241 2.665 234 HD3 PRO 34 2HD PRO 34 19.173 9.116 1.135 235 H SER 35 H SER 35 20.964 6.510 3.414 236 HA SER 35 HA SER 35 23.536 5.420 4.305 237 HB2 SER 35 1HB SER 35 23.076 7.313 5.784 238 HB3 SER 35 2HB SER 35 21.470 6.673 6.132 239 HG SER 35 HG SER 35 23.227 6.204 7.690 240 H GLY 36 H GLY 36 23.428 3.281 4.399 241 HA2 GLY 36 1HA GLY 36 22.619 1.159 4.785 242 HA3 GLY 36 2HA GLY 36 21.256 1.892 5.619 243 H ALA 37 H ALA 37 19.588 0.769 4.760 244 HA ALA 37 HA ALA 37 18.721 1.454 2.132 245 HB1 ALA 37 1HB ALA 37 18.824 -0.643 1.043 246 HB2 ALA 37 2HB ALA 37 20.434 -0.352 1.704 247 HB3 ALA 37 3HB ALA 37 19.335 -1.465 2.518 248 H VAL 38 H VAL 38 16.559 0.872 1.738 249 HA VAL 38 HA VAL 38 14.892 0.732 3.972 250 HB VAL 38 HB VAL 38 14.271 0.029 1.101 251 HG11 VAL 38 1HG1 VAL 38 12.411 0.562 3.415 252 HG12 VAL 38 2HG1 VAL 38 11.918 0.413 1.727 253 HG13 VAL 38 3HG1 VAL 38 12.622 -0.969 2.567 254 HG21 VAL 38 1HG2 VAL 38 14.285 2.564 2.673 255 HG22 VAL 38 2HG2 VAL 38 14.839 2.258 1.027 256 HG23 VAL 38 3HG2 VAL 38 13.112 2.362 1.371 257 H LEU 39 H LEU 39 14.436 -0.896 5.287 258 HA LEU 39 HA LEU 39 15.190 -3.596 4.617 259 HB2 LEU 39 1HB LEU 39 13.783 -2.513 7.054 260 HB3 LEU 39 2HB LEU 39 14.453 -4.135 6.885 261 HG LEU 39 HG LEU 39 16.094 -1.605 6.818 262 HD11 LEU 39 1HD1 LEU 39 16.264 -3.458 9.106 263 HD12 LEU 39 2HD1 LEU 39 14.812 -2.462 9.014 264 HD13 LEU 39 3HD1 LEU 39 16.403 -1.701 9.050 265 HD21 LEU 39 1HD2 LEU 39 16.979 -3.646 5.651 266 HD22 LEU 39 2HD2 LEU 39 16.973 -4.458 7.217 267 HD23 LEU 39 3HD2 LEU 39 17.986 -3.036 6.964 268 H ASP 40 H ASP 40 12.134 -2.064 5.642 269 HA ASP 40 HA ASP 40 10.677 -3.807 3.817 270 HB2 ASP 40 1HB ASP 40 9.660 -3.610 6.630 271 HB3 ASP 40 2HB ASP 40 9.313 -4.826 5.403 272 H TYR 41 H TYR 41 8.344 -3.183 3.691 273 HA TYR 41 HA TYR 41 8.052 -0.283 4.128 274 HB2 TYR 41 1HB TYR 41 6.719 -1.919 1.965 275 HB3 TYR 41 2HB TYR 41 6.710 -0.167 2.129 276 HD1 TYR 41 1HD TYR 41 9.018 -3.044 1.605 277 HD2 TYR 41 2HD TYR 41 8.314 1.112 1.025 278 HE1 TYR 41 1HE TYR 41 11.024 -2.909 0.188 279 HE2 TYR 41 2HE TYR 41 10.317 1.258 -0.395 280 HH TYR 41 HH TYR 41 12.255 -1.620 -1.143 281 H GLU 42 H GLU 42 5.750 0.446 4.285 282 HA GLU 42 HA GLU 42 4.088 -1.558 5.664 283 HB2 GLU 42 1HB GLU 42 5.288 0.256 7.101 284 HB3 GLU 42 2HB GLU 42 4.058 1.334 6.458 285 HG2 GLU 42 1HG GLU 42 3.463 -1.224 7.922 286 HG3 GLU 42 2HG GLU 42 3.518 0.367 8.678 287 H VAL 43 H VAL 43 2.310 -1.904 4.523 288 HA VAL 43 HA VAL 43 1.230 0.242 2.844 289 HB VAL 43 HB VAL 43 0.504 -2.691 2.883 290 HG11 VAL 43 1HG1 VAL 43 -1.350 -1.592 2.003 291 HG12 VAL 43 2HG1 VAL 43 -0.364 -0.375 1.190 292 HG13 VAL 43 3HG1 VAL 43 -0.415 -2.026 0.572 293 HG21 VAL 43 1HG2 VAL 43 1.735 -2.682 0.675 294 HG22 VAL 43 2HG2 VAL 43 2.386 -1.111 1.144 295 HG23 VAL 43 3HG2 VAL 43 2.740 -2.539 2.117 296 H LYS 44 H LYS 44 -0.234 1.480 3.814 297 HA LYS 44 HA LYS 44 -2.135 0.227 5.680 298 HB2 LYS 44 1HB LYS 44 -0.641 2.109 6.500 299 HB3 LYS 44 2HB LYS 44 -1.543 3.176 5.431 300 HG2 LYS 44 1HG LYS 44 -3.609 2.598 6.630 301 HG3 LYS 44 2HG LYS 44 -2.669 1.582 7.725 302 HD2 LYS 44 1HD LYS 44 -2.923 3.612 8.871 303 HD3 LYS 44 2HD LYS 44 -1.290 3.682 8.203 304 HE2 LYS 44 1HE LYS 44 -3.534 4.789 6.591 305 HE3 LYS 44 2HE LYS 44 -2.967 5.712 7.982 306 HZ1 LYS 44 1HZ LYS 44 -0.662 5.070 6.777 307 HZ2 LYS 44 2HZ LYS 44 -1.495 6.520 6.523 308 HZ3 LYS 44 3HZ LYS 44 -1.682 5.236 5.438 309 H TYR 45 H TYR 45 -4.103 -0.112 4.910 310 HA TYR 45 HA TYR 45 -5.222 1.813 2.987 311 HB2 TYR 45 1HB TYR 45 -6.297 -0.056 1.786 312 HB3 TYR 45 2HB TYR 45 -4.541 -0.164 1.734 313 HD1 TYR 45 2HD TYR 45 -3.544 -1.573 3.817 314 HD2 TYR 45 1HD TYR 45 -7.433 -2.023 2.151 315 HE1 TYR 45 2HE TYR 45 -3.654 -3.863 4.707 316 HE2 TYR 45 1HE TYR 45 -7.555 -4.314 3.038 317 HH TYR 45 HH TYR 45 -5.130 -5.573 5.211 318 H HIS 46 H HIS 46 -7.415 2.221 3.156 319 HA HIS 46 HA HIS 46 -9.013 0.760 5.085 320 HB2 HIS 46 1HB HIS 46 -9.529 2.627 6.488 321 HB3 HIS 46 2HB HIS 46 -7.774 2.525 6.388 322 HD1 HIS 46 1HD HIS 46 -6.548 4.409 5.097 323 HD2 HIS 46 2HD HIS 46 -10.663 4.915 5.362 324 HE1 HIS 46 1HE HIS 46 -6.979 6.788 4.404 325 HE2 HIS 46 2HE HIS 46 -9.466 7.096 4.655 326 H GLU 47 H GLU 47 -11.066 0.631 4.424 327 HA GLU 47 HA GLU 47 -11.900 1.595 1.947 328 HB2 GLU 47 1HB GLU 47 -12.870 -0.265 3.564 329 HB3 GLU 47 2HB GLU 47 -13.934 1.044 4.060 330 HG2 GLU 47 1HG GLU 47 -14.717 1.315 1.790 331 HG3 GLU 47 2HG GLU 47 -13.590 0.082 1.229 332 H LYS 48 H LYS 48 -12.060 3.676 1.427 333 HA LYS 48 HA LYS 48 -12.190 5.908 2.878 334 HB2 LYS 48 1HB LYS 48 -12.408 5.531 0.291 335 HB3 LYS 48 2HB LYS 48 -14.129 5.723 0.602 336 HG2 LYS 48 1HG LYS 48 -13.831 7.930 1.404 337 HG3 LYS 48 2HG LYS 48 -12.077 7.742 1.468 338 HD2 LYS 48 1HD LYS 48 -12.236 7.331 -1.066 339 HD3 LYS 48 2HD LYS 48 -13.856 8.020 -0.934 340 HE2 LYS 48 1HE LYS 48 -11.410 9.422 0.111 341 HE3 LYS 48 2HE LYS 48 -11.974 9.615 -1.548 342 HZ1 LYS 48 1HZ LYS 48 -14.200 10.007 -0.006 343 HZ2 LYS 48 2HZ LYS 48 -13.282 11.209 -0.763 344 HZ3 LYS 48 3HZ LYS 48 -12.971 10.797 0.848 345 H GLY 49 H GLY 49 -14.973 3.826 2.216 346 HA2 GLY 49 1HA GLY 49 -16.945 5.457 3.385 347 HA3 GLY 49 2HA GLY 49 -17.053 3.715 3.181 348 H ALA 50 H ALA 50 -15.712 2.436 4.809 349 HA ALA 50 HA ALA 50 -16.678 2.831 7.361 350 HB1 ALA 50 1HB ALA 50 -14.039 1.525 7.202 351 HB2 ALA 50 2HB ALA 50 -15.549 0.956 7.913 352 HB3 ALA 50 3HB ALA 50 -15.302 0.854 6.170 353 H GLU 51 H GLU 51 -16.334 4.418 8.759 354 HA GLU 51 HA GLU 51 -13.700 5.736 8.776 355 HB2 GLU 51 1HB GLU 51 -16.446 6.780 9.455 356 HB3 GLU 51 2HB GLU 51 -14.974 7.630 9.905 357 HG2 GLU 51 1HG GLU 51 -15.593 6.863 7.071 358 HG3 GLU 51 2HG GLU 51 -16.124 8.384 7.786 359 H GLY 52 H GLY 52 -12.511 5.724 10.593 360 HA2 GLY 52 1HA GLY 52 -12.968 5.894 13.167 361 HA3 GLY 52 2HA GLY 52 -13.607 4.279 12.896 362 HA PRO 53 HA PRO 53 -8.962 4.223 13.767 363 HB2 PRO 53 1HB PRO 53 -9.086 2.938 16.155 364 HB3 PRO 53 2HB PRO 53 -9.133 4.699 16.008 365 HG2 PRO 53 1HG PRO 53 -11.391 2.769 16.379 366 HG3 PRO 53 2HG PRO 53 -11.118 4.336 17.163 367 HD2 PRO 53 1HD PRO 53 -12.835 4.021 15.093 368 HD3 PRO 53 2HD PRO 53 -11.922 5.521 15.356 369 H SER 54 H SER 54 -11.406 1.773 14.621 370 HA SER 54 HA SER 54 -9.625 -0.379 13.850 371 HB2 SER 54 1HB SER 54 -11.295 -0.447 15.799 372 HB3 SER 54 2HB SER 54 -12.539 -0.668 14.569 373 HG SER 54 HG SER 54 -11.101 -2.466 13.834 374 H SER 55 H SER 55 -10.124 1.326 11.722 375 HA SER 55 HA SER 55 -11.818 -0.347 9.984 376 HB2 SER 55 1HB SER 55 -11.337 2.637 9.789 377 HB3 SER 55 2HB SER 55 -12.275 1.679 8.644 378 HG SER 55 HG SER 55 -12.966 1.505 11.338 379 H VAL 56 H VAL 56 -8.918 1.654 10.211 380 HA VAL 56 HA VAL 56 -7.984 0.914 7.587 381 HB VAL 56 HB VAL 56 -7.332 3.074 8.356 382 HG11 VAL 56 1HG1 VAL 56 -6.502 1.608 10.820 383 HG12 VAL 56 2HG1 VAL 56 -5.703 3.123 10.397 384 HG13 VAL 56 3HG1 VAL 56 -7.447 3.088 10.657 385 HG21 VAL 56 1HG2 VAL 56 -4.831 2.884 8.336 386 HG22 VAL 56 2HG2 VAL 56 -5.028 1.132 8.391 387 HG23 VAL 56 3HG2 VAL 56 -5.649 2.047 7.017 388 H ARG 57 H ARG 57 -6.354 -0.506 7.068 389 HA ARG 57 HA ARG 57 -5.588 -2.384 9.202 390 HB2 ARG 57 1HB ARG 57 -6.100 -2.734 6.269 391 HB3 ARG 57 2HB ARG 57 -5.050 -3.862 7.115 392 HG2 ARG 57 1HG ARG 57 -7.765 -3.260 8.198 393 HG3 ARG 57 2HG ARG 57 -7.575 -4.388 6.854 394 HD2 ARG 57 1HD ARG 57 -6.347 -5.893 8.129 395 HD3 ARG 57 2HD ARG 57 -5.909 -4.672 9.324 396 HE ARG 57 HE ARG 57 -8.704 -5.063 9.321 397 HH11 ARG 57 2HH1 ARG 57 -5.739 -6.613 10.282 398 HH12 ARG 57 1HH1 ARG 57 -6.472 -7.506 11.573 399 HH21 ARG 57 2HH2 ARG 57 -9.681 -6.234 11.017 400 HH22 ARG 57 1HH2 ARG 57 -8.715 -7.291 11.989 401 H PHE 58 H PHE 58 -3.452 -3.558 8.641 402 HA PHE 58 HA PHE 58 -1.496 -1.726 7.459 403 HB2 PHE 58 1HB PHE 58 -1.600 -2.636 10.294 404 HB3 PHE 58 2HB PHE 58 -0.019 -2.533 9.526 405 HD1 PHE 58 2HD PHE 58 -3.126 -0.501 9.898 406 HD2 PHE 58 1HD PHE 58 1.126 -0.555 9.698 407 HE1 PHE 58 2HE PHE 58 -3.078 1.920 10.334 408 HE2 PHE 58 1HE PHE 58 1.180 1.866 10.135 409 HZ PHE 58 HZ PHE 58 -0.923 3.107 10.453 410 H LEU 59 H LEU 59 -0.118 -2.750 6.161 411 HA LEU 59 HA LEU 59 0.333 -5.629 6.570 412 HB2 LEU 59 1HB LEU 59 -1.155 -5.581 4.761 413 HB3 LEU 59 2HB LEU 59 -0.376 -4.170 4.048 414 HG LEU 59 HG LEU 59 1.652 -5.873 3.832 415 HD11 LEU 59 1HD1 LEU 59 -0.780 -7.651 3.711 416 HD12 LEU 59 2HD1 LEU 59 0.479 -7.707 4.945 417 HD13 LEU 59 3HD1 LEU 59 0.867 -8.106 3.272 418 HD21 LEU 59 1HD2 LEU 59 1.015 -4.896 1.867 419 HD22 LEU 59 2HD2 LEU 59 -0.686 -5.313 2.080 420 HD23 LEU 59 3HD2 LEU 59 0.468 -6.547 1.573 421 H LYS 60 H LYS 60 2.396 -5.797 7.155 422 HA LYS 60 HA LYS 60 4.389 -4.004 5.988 423 HB2 LYS 60 1HB LYS 60 4.357 -5.819 8.379 424 HB3 LYS 60 2HB LYS 60 5.881 -5.242 7.719 425 HG2 LYS 60 1HG LYS 60 5.474 -3.060 8.321 426 HG3 LYS 60 2HG LYS 60 3.723 -3.285 8.355 427 HD2 LYS 60 1HD LYS 60 5.549 -4.657 10.309 428 HD3 LYS 60 2HD LYS 60 4.916 -3.035 10.599 429 HE2 LYS 60 1HE LYS 60 2.720 -3.787 10.746 430 HE3 LYS 60 2HE LYS 60 3.074 -5.288 9.893 431 HZ1 LYS 60 1HZ LYS 60 3.069 -6.142 11.951 432 HZ2 LYS 60 2HZ LYS 60 3.344 -4.653 12.703 433 HZ3 LYS 60 3HZ LYS 60 4.640 -5.520 12.047 434 H THR 61 H THR 61 5.595 -4.630 4.333 435 HA THR 61 HA THR 61 6.087 -7.510 3.953 436 HB THR 61 HB THR 61 4.539 -6.946 2.243 437 HG1 THR 61 1HG THR 61 5.880 -8.032 1.015 438 HG21 THR 61 1HG2 THR 61 6.272 -4.641 1.376 439 HG22 THR 61 2HG2 THR 61 4.928 -4.445 2.502 440 HG23 THR 61 3HG2 THR 61 4.629 -5.028 0.865 441 H SER 62 H SER 62 8.078 -8.078 2.968 442 HA SER 62 HA SER 62 10.233 -6.302 3.669 443 HB2 SER 62 1HB SER 62 10.427 -8.717 4.073 444 HB3 SER 62 2HB SER 62 10.289 -9.024 2.342 445 HG SER 62 HG SER 62 12.260 -8.141 2.014 446 H GLU 63 H GLU 63 8.780 -7.537 0.704 447 HA GLU 63 HA GLU 63 10.715 -6.170 -0.964 448 HB2 GLU 63 1HB GLU 63 9.492 -7.119 -2.837 449 HB3 GLU 63 2HB GLU 63 9.811 -8.363 -1.636 450 HG2 GLU 63 1HG GLU 63 7.408 -7.640 -0.793 451 HG3 GLU 63 2HG GLU 63 7.245 -7.145 -2.477 452 H ASN 64 H ASN 64 9.932 -4.730 -2.734 453 HA ASN 64 HA ASN 64 8.250 -2.668 -1.592 454 HB2 ASN 64 1HB ASN 64 8.975 -1.298 -3.456 455 HB3 ASN 64 2HB ASN 64 10.373 -2.116 -2.765 456 HD21 ASN 64 1HD2 ASN 64 11.083 -1.356 -5.006 457 HD22 ASN 64 2HD2 ASN 64 10.926 -2.515 -6.277 458 H ARG 65 H ARG 65 7.070 -5.240 -2.439 459 HA ARG 65 HA ARG 65 4.912 -4.118 -4.040 460 HB2 ARG 65 1HB ARG 65 4.887 -6.049 -5.575 461 HB3 ARG 65 2HB ARG 65 6.361 -5.100 -5.725 462 HG2 ARG 65 1HG ARG 65 7.578 -6.737 -4.412 463 HG3 ARG 65 2HG ARG 65 6.100 -7.673 -4.182 464 HD2 ARG 65 1HD ARG 65 7.260 -8.743 -5.930 465 HD3 ARG 65 2HD ARG 65 5.974 -7.823 -6.709 466 HE ARG 65 HE ARG 65 8.177 -6.171 -6.696 467 HH11 ARG 65 2HH1 ARG 65 7.371 -9.308 -7.974 468 HH12 ARG 65 1HH1 ARG 65 8.443 -9.176 -9.328 469 HH21 ARG 65 2HH2 ARG 65 9.593 -5.986 -8.474 470 HH22 ARG 65 1HH2 ARG 65 9.708 -7.286 -9.611 471 H ALA 66 H ALA 66 2.955 -4.850 -3.426 472 HA ALA 66 HA ALA 66 2.770 -7.329 -1.881 473 HB1 ALA 66 1HB ALA 66 1.126 -5.945 -0.365 474 HB2 ALA 66 2HB ALA 66 2.861 -5.968 -0.044 475 HB3 ALA 66 3HB ALA 66 2.137 -4.597 -0.885 476 H GLU 67 H GLU 67 0.839 -8.405 -2.086 477 HA GLU 67 HA GLU 67 -1.121 -7.192 -3.922 478 HB2 GLU 67 1HB GLU 67 0.122 -9.096 -4.901 479 HB3 GLU 67 2HB GLU 67 -0.458 -10.123 -3.597 480 HG2 GLU 67 1HG GLU 67 -2.744 -9.822 -4.339 481 HG3 GLU 67 2HG GLU 67 -2.206 -8.725 -5.609 482 H LEU 68 H LEU 68 -2.731 -6.483 -2.651 483 HA LEU 68 HA LEU 68 -3.511 -7.723 -0.220 484 HB2 LEU 68 1HB LEU 68 -5.177 -5.845 -1.878 485 HB3 LEU 68 2HB LEU 68 -5.268 -6.121 -0.139 486 HG LEU 68 HG LEU 68 -2.845 -4.912 -1.448 487 HD11 LEU 68 1HD1 LEU 68 -4.094 -3.132 -1.939 488 HD12 LEU 68 2HD1 LEU 68 -4.172 -2.854 -0.199 489 HD13 LEU 68 3HD1 LEU 68 -5.469 -3.731 -1.011 490 HD21 LEU 68 1HD2 LEU 68 -2.034 -4.727 0.621 491 HD22 LEU 68 2HD2 LEU 68 -3.291 -5.869 1.097 492 HD23 LEU 68 3HD2 LEU 68 -3.568 -4.134 1.259 493 H ARG 69 H ARG 69 -4.398 -9.682 -0.158 494 HA ARG 69 HA ARG 69 -6.100 -10.606 -2.326 495 HB2 ARG 69 1HB ARG 69 -5.145 -12.006 0.178 496 HB3 ARG 69 2HB ARG 69 -6.066 -12.762 -1.115 497 HG2 ARG 69 1HG ARG 69 -4.260 -12.419 -2.668 498 HG3 ARG 69 2HG ARG 69 -3.348 -11.515 -1.456 499 HD2 ARG 69 1HD ARG 69 -4.208 -14.376 -1.083 500 HD3 ARG 69 2HD ARG 69 -2.659 -13.920 -1.792 501 HE ARG 69 HE ARG 69 -2.670 -12.566 0.539 502 HH11 ARG 69 2HH1 ARG 69 -3.266 -15.899 -0.268 503 HH12 ARG 69 1HH1 ARG 69 -2.682 -16.506 1.246 504 HH21 ARG 69 2HH2 ARG 69 -1.899 -13.352 2.537 505 HH22 ARG 69 1HH2 ARG 69 -1.906 -15.056 2.841 506 H GLY 70 H GLY 70 -8.231 -11.412 -2.005 507 HA2 GLY 70 1HA GLY 70 -10.368 -11.352 -1.166 508 HA3 GLY 70 2HA GLY 70 -9.642 -11.232 0.430 509 H LEU 71 H LEU 71 -10.985 -9.476 -2.258 510 HA LEU 71 HA LEU 71 -11.389 -7.177 -0.505 511 HB2 LEU 71 1HB LEU 71 -10.127 -7.004 -3.237 512 HB3 LEU 71 2HB LEU 71 -10.706 -5.622 -2.309 513 HG LEU 71 HG LEU 71 -8.514 -7.468 -1.374 514 HD11 LEU 71 1HD1 LEU 71 -7.068 -6.417 -2.682 515 HD12 LEU 71 2HD1 LEU 71 -7.602 -4.852 -2.068 516 HD13 LEU 71 3HD1 LEU 71 -8.411 -5.576 -3.457 517 HD21 LEU 71 1HD2 LEU 71 -9.591 -6.315 0.436 518 HD22 LEU 71 2HD2 LEU 71 -9.503 -4.781 -0.430 519 HD23 LEU 71 3HD2 LEU 71 -8.025 -5.559 0.138 520 H LYS 72 H LYS 72 -12.797 -5.494 -1.735 521 HA LYS 72 HA LYS 72 -14.925 -6.989 -3.114 522 HB2 LYS 72 1HB LYS 72 -15.018 -4.547 -1.348 523 HB3 LYS 72 2HB LYS 72 -16.375 -5.033 -2.356 524 HG2 LYS 72 1HG LYS 72 -16.234 -7.285 -1.179 525 HG3 LYS 72 2HG LYS 72 -15.174 -6.480 -0.019 526 HD2 LYS 72 1HD LYS 72 -17.340 -6.358 0.908 527 HD3 LYS 72 2HD LYS 72 -17.019 -4.754 0.245 528 HE2 LYS 72 1HE LYS 72 -18.293 -5.340 -1.765 529 HE3 LYS 72 2HE LYS 72 -18.621 -6.935 -1.089 530 HZ1 LYS 72 1HZ LYS 72 -19.674 -4.317 -0.249 531 HZ2 LYS 72 2HZ LYS 72 -19.601 -5.591 0.861 532 HZ3 LYS 72 3HZ LYS 72 -20.510 -5.756 -0.556 533 H ARG 73 H ARG 73 -13.725 -6.688 -5.121 534 HA ARG 73 HA ARG 73 -12.815 -4.516 -6.367 535 HB2 ARG 73 1HB ARG 73 -13.582 -5.410 -8.488 536 HB3 ARG 73 2HB ARG 73 -13.068 -6.726 -7.441 537 HG2 ARG 73 1HG ARG 73 -15.379 -7.242 -6.912 538 HG3 ARG 73 2HG ARG 73 -15.922 -5.883 -7.899 539 HD2 ARG 73 1HD ARG 73 -14.982 -6.927 -9.885 540 HD3 ARG 73 2HD ARG 73 -14.368 -8.262 -8.911 541 HE ARG 73 HE ARG 73 -17.096 -8.147 -8.463 542 HH11 ARG 73 2HH1 ARG 73 -14.955 -8.675 -11.157 543 HH12 ARG 73 1HH1 ARG 73 -16.066 -9.697 -12.008 544 HH21 ARG 73 2HH2 ARG 73 -18.567 -9.492 -9.573 545 HH22 ARG 73 1HH2 ARG 73 -18.120 -10.160 -11.106 546 H GLY 74 H GLY 74 -13.492 -2.575 -7.084 547 HA2 GLY 74 1HA GLY 74 -15.215 -1.181 -8.068 548 HA3 GLY 74 2HA GLY 74 -16.394 -2.048 -7.095 549 H ALA 75 H ALA 75 -15.482 -1.977 -4.602 550 HA ALA 75 HA ALA 75 -16.017 0.656 -3.762 551 HB1 ALA 75 1HB ALA 75 -14.937 -0.406 -1.549 552 HB2 ALA 75 2HB ALA 75 -16.578 -0.760 -2.091 553 HB3 ALA 75 3HB ALA 75 -15.268 -1.883 -2.454 554 H SER 76 H SER 76 -14.741 2.353 -3.314 555 HA SER 76 HA SER 76 -12.108 2.475 -4.274 556 HB2 SER 76 1HB SER 76 -13.634 4.292 -2.401 557 HB3 SER 76 2HB SER 76 -12.023 4.669 -3.013 558 HG SER 76 HG SER 76 -14.393 4.995 -4.215 559 H TYR 77 H TYR 77 -10.117 2.532 -3.244 560 HA TYR 77 HA TYR 77 -10.013 1.902 -0.393 561 HB2 TYR 77 1HB TYR 77 -9.119 0.109 -2.606 562 HB3 TYR 77 2HB TYR 77 -8.152 0.165 -1.136 563 HD1 TYR 77 1HD TYR 77 -9.606 -0.030 1.100 564 HD2 TYR 77 2HD TYR 77 -10.785 -1.479 -2.723 565 HE1 TYR 77 1HE TYR 77 -11.150 -1.610 2.181 566 HE2 TYR 77 2HE TYR 77 -12.333 -3.062 -1.653 567 HH TYR 77 HH TYR 77 -12.432 -4.216 0.724 568 H LEU 78 H LEU 78 -8.809 3.512 0.368 569 HA LEU 78 HA LEU 78 -6.734 4.739 -1.217 570 HB2 LEU 78 1HB LEU 78 -7.916 5.230 1.484 571 HB3 LEU 78 2HB LEU 78 -6.388 5.989 1.042 572 HG LEU 78 HG LEU 78 -8.338 7.468 0.727 573 HD11 LEU 78 1HD1 LEU 78 -7.137 6.765 -1.935 574 HD12 LEU 78 2HD1 LEU 78 -6.222 7.571 -0.661 575 HD13 LEU 78 3HD1 LEU 78 -7.650 8.346 -1.346 576 HD21 LEU 78 1HD2 LEU 78 -10.119 6.984 -0.601 577 HD22 LEU 78 2HD2 LEU 78 -9.711 5.346 -0.089 578 HD23 LEU 78 3HD2 LEU 78 -9.185 5.935 -1.667 579 H VAL 79 H VAL 79 -4.971 3.489 -1.485 580 HA VAL 79 HA VAL 79 -3.809 2.165 0.864 581 HB VAL 79 HB VAL 79 -3.012 1.805 -2.025 582 HG11 VAL 79 1HG1 VAL 79 -2.016 -0.294 -1.174 583 HG12 VAL 79 2HG1 VAL 79 -1.286 1.150 -0.471 584 HG13 VAL 79 3HG1 VAL 79 -2.442 0.201 0.464 585 HG21 VAL 79 1HG2 VAL 79 -5.446 1.160 -1.184 586 HG22 VAL 79 2HG2 VAL 79 -4.543 0.138 -2.302 587 HG23 VAL 79 3HG2 VAL 79 -4.587 -0.259 -0.585 588 H GLN 80 H GLN 80 -2.001 2.896 1.779 589 HA GLN 80 HA GLN 80 -0.371 4.846 0.289 590 HB2 GLN 80 1HB GLN 80 -1.168 4.883 3.200 591 HB3 GLN 80 2HB GLN 80 0.114 5.889 2.537 592 HG2 GLN 80 1HG GLN 80 -1.622 6.774 0.914 593 HG3 GLN 80 2HG GLN 80 -2.822 5.983 1.934 594 HE21 GLN 80 1HE2 GLN 80 -3.540 8.283 2.048 595 HE22 GLN 80 2HE2 GLN 80 -2.879 9.261 3.309 596 H VAL 81 H VAL 81 1.636 4.177 -0.035 597 HA VAL 81 HA VAL 81 2.732 2.086 1.715 598 HB VAL 81 HB VAL 81 3.785 2.933 -0.983 599 HG11 VAL 81 1HG1 VAL 81 5.512 1.687 -0.308 600 HG12 VAL 81 2HG1 VAL 81 4.611 1.018 1.054 601 HG13 VAL 81 3HG1 VAL 81 4.446 0.304 -0.550 602 HG21 VAL 81 1HG2 VAL 81 1.569 1.116 -0.242 603 HG22 VAL 81 2HG2 VAL 81 1.806 2.080 -1.699 604 HG23 VAL 81 3HG2 VAL 81 2.675 0.559 -1.498 605 H ARG 82 H ARG 82 4.550 2.397 2.880 606 HA ARG 82 HA ARG 82 6.051 4.893 2.473 607 HB2 ARG 82 1HB ARG 82 6.155 5.298 4.841 608 HB3 ARG 82 2HB ARG 82 4.467 5.113 4.386 609 HG2 ARG 82 1HG ARG 82 4.306 3.007 5.385 610 HG3 ARG 82 2HG ARG 82 6.059 2.813 5.460 611 HD2 ARG 82 1HD ARG 82 6.184 4.612 7.114 612 HD3 ARG 82 2HD ARG 82 4.434 4.810 7.033 613 HE ARG 82 HE ARG 82 5.263 2.146 7.718 614 HH11 ARG 82 2HH1 ARG 82 4.552 5.326 8.944 615 HH12 ARG 82 1HH1 ARG 82 4.176 4.769 10.541 616 HH21 ARG 82 2HH2 ARG 82 4.770 1.400 9.817 617 HH22 ARG 82 1HH2 ARG 82 4.301 2.535 11.036 618 H ALA 83 H ALA 83 8.215 4.852 3.482 619 HA ALA 83 HA ALA 83 9.342 2.133 3.388 620 HB1 ALA 83 1HB ALA 83 10.034 3.910 1.666 621 HB2 ALA 83 2HB ALA 83 10.949 4.632 2.990 622 HB3 ALA 83 3HB ALA 83 11.305 2.986 2.467 623 H ARG 84 H ARG 84 10.840 1.485 4.933 624 HA ARG 84 HA ARG 84 11.434 3.298 7.141 625 HB2 ARG 84 1HB ARG 84 9.421 2.274 7.930 626 HB3 ARG 84 2HB ARG 84 9.968 0.678 7.435 627 HG2 ARG 84 1HG ARG 84 11.615 2.155 9.411 628 HG3 ARG 84 2HG ARG 84 10.074 1.483 9.947 629 HD2 ARG 84 1HD ARG 84 10.727 -0.712 9.424 630 HD3 ARG 84 2HD ARG 84 12.080 -0.162 8.436 631 HE ARG 84 HE ARG 84 12.687 0.769 10.906 632 HH11 ARG 84 2HH1 ARG 84 11.825 -2.366 9.661 633 HH12 ARG 84 1HH1 ARG 84 12.749 -3.233 10.843 634 HH21 ARG 84 2HH2 ARG 84 13.907 -0.362 12.467 635 HH22 ARG 84 1HH2 ARG 84 13.932 -2.092 12.439 636 H SER 85 H SER 85 13.378 2.923 8.090 637 HA SER 85 HA SER 85 14.819 0.472 7.335 638 HB2 SER 85 1HB SER 85 15.514 2.465 5.944 639 HB3 SER 85 2HB SER 85 16.101 3.210 7.431 640 HG SER 85 HG SER 85 16.945 0.615 6.808 641 H GLU 86 H GLU 86 16.887 0.262 8.696 642 HA GLU 86 HA GLU 86 16.353 -0.232 11.289 643 HB2 GLU 86 1HB GLU 86 18.767 0.010 11.767 644 HB3 GLU 86 2HB GLU 86 18.458 -0.878 10.282 645 HG2 GLU 86 1HG GLU 86 20.143 0.496 9.604 646 HG3 GLU 86 2HG GLU 86 18.742 1.476 9.175 647 H ALA 87 H ALA 87 17.148 2.900 9.926 648 HA ALA 87 HA ALA 87 17.610 4.319 12.295 649 HB1 ALA 87 1HB ALA 87 17.899 5.017 9.806 650 HB2 ALA 87 2HB ALA 87 16.245 5.609 9.972 651 HB3 ALA 87 3HB ALA 87 17.517 6.239 11.019 652 H GLY 88 H GLY 88 14.608 4.287 10.352 653 HA2 GLY 88 1HA GLY 88 12.839 3.787 12.432 654 HA3 GLY 88 2HA GLY 88 13.057 5.530 12.379 655 H TYR 89 H TYR 89 10.581 4.402 11.956 656 HA TYR 89 HA TYR 89 9.907 3.844 9.304 657 HB2 TYR 89 1HB TYR 89 8.421 4.772 11.710 658 HB3 TYR 89 2HB TYR 89 7.622 4.938 10.150 659 HD1 TYR 89 2HD TYR 89 7.195 2.906 8.767 660 HD2 TYR 89 1HD TYR 89 8.656 2.649 12.755 661 HE1 TYR 89 2HE TYR 89 6.524 0.542 8.854 662 HE2 TYR 89 1HE TYR 89 7.990 0.284 12.852 663 HH TYR 89 HH TYR 89 6.125 -1.159 11.538 664 H GLY 90 H GLY 90 9.813 5.055 7.530 665 HA2 GLY 90 1HA GLY 90 10.384 7.888 7.708 666 HA3 GLY 90 2HA GLY 90 10.248 6.939 6.236 667 HA PRO 91 HA PRO 91 6.452 9.653 6.902 668 HB2 PRO 91 1HB PRO 91 6.777 11.197 4.693 669 HB3 PRO 91 2HB PRO 91 7.474 11.610 6.264 670 HG2 PRO 91 1HG PRO 91 8.772 10.314 3.898 671 HG3 PRO 91 2HG PRO 91 9.399 11.588 4.961 672 HD2 PRO 91 1HD PRO 91 10.127 8.992 5.212 673 HD3 PRO 91 2HD PRO 91 10.014 10.091 6.602 674 H PHE 92 H PHE 92 4.525 9.306 5.862 675 HA PHE 92 HA PHE 92 4.336 7.090 4.115 676 HB2 PHE 92 1HB PHE 92 2.435 9.059 5.283 677 HB3 PHE 92 2HB PHE 92 1.898 8.162 3.866 678 HD1 PHE 92 1HD PHE 92 2.196 5.582 3.975 679 HD2 PHE 92 2HD PHE 92 2.172 8.138 7.379 680 HE1 PHE 92 1HE PHE 92 1.617 3.666 5.405 681 HE2 PHE 92 2HE PHE 92 1.594 6.225 8.815 682 HZ PHE 92 HZ PHE 92 1.316 3.986 7.828 683 H GLY 93 H GLY 93 4.783 7.043 2.020 684 HA2 GLY 93 1HA GLY 93 5.363 9.262 0.436 685 HA3 GLY 93 2HA GLY 93 4.967 7.665 -0.181 686 H GLN 94 H GLN 94 4.224 9.772 -1.670 687 HA GLN 94 HA GLN 94 1.795 11.000 -1.182 688 HB2 GLN 94 1HB GLN 94 3.358 11.454 -3.098 689 HB3 GLN 94 2HB GLN 94 2.719 10.016 -3.883 690 HG2 GLN 94 1HG GLN 94 0.441 11.079 -3.710 691 HG3 GLN 94 2HG GLN 94 1.266 12.559 -3.224 692 HE21 GLN 94 1HE2 GLN 94 0.232 13.440 -5.140 693 HE22 GLN 94 2HE2 GLN 94 0.995 13.236 -6.676 694 H GLU 95 H GLU 95 -0.145 10.191 -0.781 695 HA GLU 95 HA GLU 95 -0.879 7.547 -0.832 696 HB2 GLU 95 1HB GLU 95 -3.250 8.383 -0.890 697 HB3 GLU 95 2HB GLU 95 -2.237 9.111 0.349 698 HG2 GLU 95 1HG GLU 95 -1.934 11.086 -1.047 699 HG3 GLU 95 2HG GLU 95 -2.938 10.357 -2.300 700 H HIS 96 H HIS 96 -2.488 6.437 -2.197 701 HA HIS 96 HA HIS 96 -2.422 7.276 -5.010 702 HB2 HIS 96 1HB HIS 96 -0.697 5.421 -4.276 703 HB3 HIS 96 2HB HIS 96 -2.110 4.373 -4.363 704 HD1 HIS 96 1HD HIS 96 -1.223 7.188 -6.742 705 HD2 HIS 96 2HD HIS 96 -1.625 3.053 -6.697 706 HE1 HIS 96 1HE HIS 96 -0.974 6.462 -9.137 707 HE2 HIS 96 2HE HIS 96 -1.306 3.966 -9.096 708 H HIS 97 H HIS 97 -3.991 5.969 -6.349 709 HA HIS 97 HA HIS 97 -6.358 5.243 -4.752 710 HB2 HIS 97 1HB HIS 97 -6.216 6.876 -7.287 711 HB3 HIS 97 2HB HIS 97 -7.712 6.162 -6.692 712 HD1 HIS 97 1HD HIS 97 -5.057 8.635 -5.587 713 HD2 HIS 97 2HD HIS 97 -9.032 7.676 -4.854 714 HE1 HIS 97 1HE HIS 97 -5.918 10.449 -4.073 715 HE2 HIS 97 2HE HIS 97 -8.300 9.801 -3.574 716 H SER 98 H SER 98 -6.294 3.064 -4.900 717 HA SER 98 HA SER 98 -5.484 1.647 -7.223 718 HB2 SER 98 1HB SER 98 -6.723 0.922 -4.605 719 HB3 SER 98 2HB SER 98 -6.793 -0.259 -5.913 720 HG SER 98 HG SER 98 -4.709 0.425 -4.345 721 H GLN 99 H GLN 99 -6.727 2.492 -8.931 722 HA GLN 99 HA GLN 99 -9.576 2.456 -8.910 723 HB2 GLN 99 1HB GLN 99 -7.483 2.878 -11.012 724 HB3 GLN 99 2HB GLN 99 -9.163 2.661 -11.483 725 HG2 GLN 99 1HG GLN 99 -8.106 4.789 -9.636 726 HG3 GLN 99 2HG GLN 99 -8.584 5.014 -11.318 727 HE21 GLN 99 1HE2 GLN 99 -9.568 5.266 -8.170 728 HE22 GLN 99 2HE2 GLN 99 -11.277 5.322 -8.415 729 H THR 100 H THR 100 -10.333 0.424 -8.421 730 HA THR 100 HA THR 100 -9.399 -1.981 -9.538 731 HB THR 100 HB THR 100 -11.554 -2.958 -8.785 732 HG1 THR 100 1HG THR 100 -12.587 -0.706 -9.182 733 HG21 THR 100 1HG2 THR 100 -10.562 -3.116 -6.798 734 HG22 THR 100 2HG2 THR 100 -11.089 -1.483 -6.391 735 HG23 THR 100 3HG2 THR 100 -9.544 -1.734 -7.203 736 H GLN 101 H GLN 101 -10.002 -3.161 -11.303 737 HA GLN 101 HA GLN 101 -10.873 -1.873 -13.598 738 HB2 GLN 101 1HB GLN 101 -10.868 -4.797 -12.861 739 HB3 GLN 101 2HB GLN 101 -11.304 -4.222 -14.464 740 HG2 GLN 101 1HG GLN 101 -9.126 -3.326 -14.818 741 HG3 GLN 101 2HG GLN 101 -8.674 -3.622 -13.140 742 HE21 GLN 101 1HE2 GLN 101 -8.987 -4.947 -16.285 743 HE22 GLN 101 2HE2 GLN 101 -8.357 -6.516 -15.932 744 H LEU 102 H LEU 102 -12.802 -1.384 -14.450 745 HA LEU 102 HA LEU 102 -15.206 -2.511 -13.173 746 HB2 LEU 102 1HB LEU 102 -14.582 0.318 -13.937 747 HB3 LEU 102 2HB LEU 102 -16.248 -0.244 -13.827 748 HG LEU 102 HG LEU 102 -14.279 -0.365 -11.548 749 HD11 LEU 102 1HD1 LEU 102 -16.517 1.588 -11.625 750 HD12 LEU 102 2HD1 LEU 102 -15.049 1.958 -12.529 751 HD13 LEU 102 3HD1 LEU 102 -14.966 1.674 -10.791 752 HD21 LEU 102 1HD2 LEU 102 -16.145 -1.968 -11.462 753 HD22 LEU 102 2HD2 LEU 102 -17.283 -0.629 -11.611 754 HD23 LEU 102 3HD2 LEU 102 -16.246 -0.751 -10.189 755 H ASP 103 H ASP 103 -14.127 -0.717 -16.061 756 HA ASP 103 HA ASP 103 -15.414 -2.668 -17.773 757 HB2 ASP 103 1HB ASP 103 -17.141 -0.875 -17.115 758 HB3 ASP 103 2HB ASP 103 -16.201 0.216 -18.129 759 H SER 104 H SER 104 -14.240 -2.976 -19.555 760 HA SER 104 HA SER 104 -11.762 -1.884 -19.985 761 HB2 SER 104 1HB SER 104 -12.522 -3.917 -21.113 762 HB3 SER 104 2HB SER 104 -13.662 -2.977 -22.075 763 HG SER 104 HG SER 104 -11.540 -1.779 -22.623 764 H GLY 105 H GLY 105 -11.069 0.067 -20.541 765 HA2 GLY 105 1HA GLY 105 -12.472 1.621 -22.549 766 HA3 GLY 105 2HA GLY 105 -12.471 2.325 -20.939 767 HA PRO 106 HA PRO 106 -8.378 2.967 -23.407 768 HB2 PRO 106 1HB PRO 106 -8.946 5.207 -24.832 769 HB3 PRO 106 2HB PRO 106 -9.170 3.577 -25.476 770 HG2 PRO 106 1HG PRO 106 -11.193 5.442 -24.297 771 HG3 PRO 106 2HG PRO 106 -11.323 4.415 -25.737 772 HD2 PRO 106 1HD PRO 106 -12.405 3.726 -23.352 773 HD3 PRO 106 2HD PRO 106 -11.780 2.524 -24.500 774 H SER 107 H SER 107 -6.886 4.131 -22.346 775 HA SER 107 HA SER 107 -7.818 6.203 -20.500 776 HB2 SER 107 1HB SER 107 -6.356 4.219 -19.772 777 HB3 SER 107 2HB SER 107 -5.035 5.045 -20.598 778 HG SER 107 HG SER 107 -4.843 6.111 -18.803 779 H SER 108 H SER 108 -6.084 7.982 -20.116 780 HA SER 108 HA SER 108 -4.858 8.854 -22.624 781 HB2 SER 108 1HB SER 108 -5.821 11.128 -22.354 782 HB3 SER 108 2HB SER 108 -7.055 9.903 -22.648 783 HG SER 108 HG SER 108 -7.444 11.466 -20.883 784 H GLY 109 H GLY 109 -3.477 10.836 -22.269 785 HA2 GLY 109 1HA GLY 109 -1.410 10.467 -20.611 786 HA3 GLY 109 2HA GLY 109 -1.970 12.084 -21.012 Start of MODEL 12 1 H1 GLY 1 H GLY 1 20.920 21.660 10.739 2 HA2 GLY 1 1HA GLY 1 19.377 23.678 11.327 3 HA3 GLY 1 2HA GLY 1 18.941 22.679 9.949 4 H SER 2 H SER 2 17.782 20.528 10.810 5 HA SER 2 HA SER 2 15.680 21.417 12.676 6 HB2 SER 2 1HB SER 2 14.058 20.134 11.360 7 HB3 SER 2 2HB SER 2 14.855 21.341 10.352 8 HG SER 2 HG SER 2 14.681 18.792 9.872 9 H SER 3 H SER 3 15.263 20.125 14.356 10 HA SER 3 HA SER 3 16.674 17.555 14.483 11 HB2 SER 3 1HB SER 3 17.075 19.278 16.270 12 HB3 SER 3 2HB SER 3 15.391 19.085 16.756 13 HG SER 3 HG SER 3 15.864 16.857 17.127 14 H GLY 4 H GLY 4 15.634 15.644 14.798 15 HA2 GLY 4 1HA GLY 4 13.343 14.891 15.871 16 HA3 GLY 4 2HA GLY 4 12.734 15.688 14.428 17 H SER 5 H SER 5 12.768 12.819 15.393 18 HA SER 5 HA SER 5 14.375 11.073 14.171 19 HB2 SER 5 1HB SER 5 11.350 10.978 14.107 20 HB3 SER 5 2HB SER 5 12.402 9.604 13.765 21 HG SER 5 HG SER 5 12.797 10.989 16.156 22 H SER 6 H SER 6 14.668 10.130 12.147 23 HA SER 6 HA SER 6 13.270 11.240 9.852 24 HB2 SER 6 1HB SER 6 16.188 11.693 10.413 25 HB3 SER 6 2HB SER 6 15.602 11.608 8.752 26 HG SER 6 HG SER 6 14.903 13.564 8.979 27 H GLY 7 H GLY 7 13.059 9.794 8.231 28 HA2 GLY 7 1HA GLY 7 14.715 7.352 8.368 29 HA3 GLY 7 2HA GLY 7 12.976 7.273 8.125 30 HA PRO 8 HA PRO 8 14.867 7.106 3.941 31 HB2 PRO 8 1HB PRO 8 13.053 5.341 2.960 32 HB3 PRO 8 2HB PRO 8 14.494 4.841 3.853 33 HG2 PRO 8 1HG PRO 8 11.675 5.136 4.817 34 HG3 PRO 8 2HG PRO 8 12.844 3.846 5.155 35 HD2 PRO 8 1HD PRO 8 12.334 5.847 6.907 36 HD3 PRO 8 2HD PRO 8 13.930 5.082 6.769 37 HA PRO 9 HA PRO 9 12.109 9.809 1.837 38 HB2 PRO 9 1HB PRO 9 12.216 8.933 -0.730 39 HB3 PRO 9 2HB PRO 9 13.557 9.777 0.054 40 HG2 PRO 9 1HG PRO 9 13.161 6.842 -0.383 41 HG3 PRO 9 2HG PRO 9 14.630 7.815 -0.585 42 HD2 PRO 9 1HD PRO 9 14.187 6.284 1.604 43 HD3 PRO 9 2HD PRO 9 15.098 7.806 1.672 44 H ALA 10 H ALA 10 9.973 10.029 1.413 45 HA ALA 10 HA ALA 10 8.149 8.030 1.953 46 HB1 ALA 10 1HB ALA 10 7.102 10.029 2.051 47 HB2 ALA 10 2HB ALA 10 8.011 10.696 0.693 48 HB3 ALA 10 3HB ALA 10 6.647 9.617 0.397 49 H VAL 11 H VAL 11 7.478 6.288 0.893 50 HA VAL 11 HA VAL 11 8.497 5.280 -1.417 51 HB VAL 11 HB VAL 11 5.657 4.908 -0.454 52 HG11 VAL 11 1HG1 VAL 11 6.583 4.146 -2.865 53 HG12 VAL 11 2HG1 VAL 11 7.056 2.750 -1.894 54 HG13 VAL 11 3HG1 VAL 11 5.365 3.250 -1.957 55 HG21 VAL 11 1HG2 VAL 11 6.493 2.969 0.724 56 HG22 VAL 11 2HG2 VAL 11 8.120 3.259 0.109 57 HG23 VAL 11 3HG2 VAL 11 7.386 4.401 1.235 58 H SER 12 H SER 12 8.615 6.142 -3.377 59 HA SER 12 HA SER 12 6.281 7.617 -4.409 60 HB2 SER 12 1HB SER 12 7.938 8.780 -5.906 61 HB3 SER 12 2HB SER 12 8.140 9.127 -4.189 62 HG SER 12 HG SER 12 10.103 8.453 -4.442 63 H ASP 13 H ASP 13 6.490 7.701 -6.965 64 HA ASP 13 HA ASP 13 5.996 6.478 -8.833 65 HB2 ASP 13 1HB ASP 13 8.622 6.507 -8.533 66 HB3 ASP 13 2HB ASP 13 8.394 4.776 -8.298 67 H ILE 14 H ILE 14 4.375 5.581 -6.964 68 HA ILE 14 HA ILE 14 4.675 2.706 -6.639 69 HB ILE 14 HB ILE 14 2.409 4.492 -5.746 70 HG12 ILE 14 1HG1 ILE 14 4.533 3.360 -3.950 71 HG13 ILE 14 2HG1 ILE 14 4.811 4.871 -4.810 72 HG21 ILE 14 1HG2 ILE 14 1.818 2.644 -4.272 73 HG22 ILE 14 2HG2 ILE 14 1.792 2.136 -5.960 74 HG23 ILE 14 3HG2 ILE 14 3.147 1.686 -4.925 75 HD11 ILE 14 1HD1 ILE 14 4.027 5.479 -2.690 76 HD12 ILE 14 2HD1 ILE 14 2.648 5.683 -3.770 77 HD13 ILE 14 3HD1 ILE 14 2.747 4.267 -2.723 78 H ARG 15 H ARG 15 4.054 1.392 -8.213 79 HA ARG 15 HA ARG 15 1.702 2.142 -9.824 80 HB2 ARG 15 1HB ARG 15 4.017 0.408 -10.701 81 HB3 ARG 15 2HB ARG 15 2.669 0.946 -11.694 82 HG2 ARG 15 1HG ARG 15 3.418 3.230 -11.560 83 HG3 ARG 15 2HG ARG 15 4.701 2.776 -10.437 84 HD2 ARG 15 1HD ARG 15 5.422 3.097 -12.823 85 HD3 ARG 15 2HD ARG 15 5.845 1.541 -12.110 86 HE ARG 15 HE ARG 15 3.371 1.335 -13.443 87 HH11 ARG 15 2HH1 ARG 15 6.776 1.677 -14.084 88 HH12 ARG 15 1HH1 ARG 15 6.699 0.884 -15.623 89 HH21 ARG 15 2HH2 ARG 15 3.257 0.288 -15.467 90 HH22 ARG 15 1HH2 ARG 15 4.697 0.095 -16.408 91 H VAL 16 H VAL 16 0.030 0.772 -9.843 92 HA VAL 16 HA VAL 16 0.346 -1.792 -8.446 93 HB VAL 16 HB VAL 16 -1.364 -0.631 -7.378 94 HG11 VAL 16 1HG1 VAL 16 -3.286 0.346 -8.879 95 HG12 VAL 16 2HG1 VAL 16 -1.807 1.265 -8.591 96 HG13 VAL 16 3HG1 VAL 16 -2.017 0.381 -10.103 97 HG21 VAL 16 1HG2 VAL 16 -1.957 -2.957 -8.509 98 HG22 VAL 16 2HG2 VAL 16 -3.139 -2.050 -7.566 99 HG23 VAL 16 3HG2 VAL 16 -3.163 -1.964 -9.327 100 H THR 17 H THR 17 0.695 -3.453 -9.762 101 HA THR 17 HA THR 17 -0.730 -3.533 -12.340 102 HB THR 17 HB THR 17 1.031 -4.667 -13.326 103 HG1 THR 17 1HG THR 17 2.341 -5.239 -10.895 104 HG21 THR 17 1HG2 THR 17 3.159 -3.554 -12.572 105 HG22 THR 17 2HG2 THR 17 2.239 -2.856 -11.239 106 HG23 THR 17 3HG2 THR 17 1.821 -2.455 -12.905 107 H ARG 18 H ARG 18 -1.120 -5.828 -13.130 108 HA ARG 18 HA ARG 18 -2.193 -7.820 -12.899 109 HB2 ARG 18 1HB ARG 18 -0.714 -7.806 -10.265 110 HB3 ARG 18 2HB ARG 18 -1.647 -9.176 -10.851 111 HG2 ARG 18 1HG ARG 18 -0.144 -9.661 -12.523 112 HG3 ARG 18 2HG ARG 18 0.492 -8.016 -12.572 113 HD2 ARG 18 1HD ARG 18 1.874 -8.351 -10.772 114 HD3 ARG 18 2HD ARG 18 0.848 -9.608 -10.083 115 HE ARG 18 HE ARG 18 1.793 -10.711 -12.385 116 HH11 ARG 18 2HH1 ARG 18 3.269 -9.244 -9.594 117 HH12 ARG 18 1HH1 ARG 18 4.710 -10.201 -9.691 118 HH21 ARG 18 2HH2 ARG 18 3.685 -11.977 -12.524 119 HH22 ARG 18 1HH2 ARG 18 4.946 -11.755 -11.358 120 H SER 19 H SER 19 -3.661 -5.529 -12.327 121 HA SER 19 HA SER 19 -5.025 -5.366 -9.951 122 HB2 SER 19 1HB SER 19 -6.988 -4.568 -11.392 123 HB3 SER 19 2HB SER 19 -5.465 -3.698 -11.572 124 HG SER 19 HG SER 19 -5.974 -5.882 -13.248 125 H SER 20 H SER 20 -7.147 -6.111 -9.309 126 HA SER 20 HA SER 20 -8.201 -8.483 -10.598 127 HB2 SER 20 1HB SER 20 -6.729 -8.552 -8.001 128 HB3 SER 20 2HB SER 20 -8.149 -9.581 -8.181 129 HG SER 20 HG SER 20 -6.153 -10.586 -8.827 130 HA PRO 21 HA PRO 21 -12.033 -7.032 -9.033 131 HB2 PRO 21 1HB PRO 21 -13.375 -9.344 -8.558 132 HB3 PRO 21 2HB PRO 21 -13.040 -8.745 -10.187 133 HG2 PRO 21 1HG PRO 21 -11.597 -10.835 -8.604 134 HG3 PRO 21 2HG PRO 21 -12.053 -10.846 -10.317 135 HD2 PRO 21 1HD PRO 21 -9.546 -10.258 -9.482 136 HD3 PRO 21 2HD PRO 21 -10.264 -9.529 -10.932 137 H SER 22 H SER 22 -10.880 -9.818 -7.122 138 HA SER 22 HA SER 22 -11.768 -8.403 -4.694 139 HB2 SER 22 1HB SER 22 -11.867 -11.274 -5.487 140 HB3 SER 22 2HB SER 22 -11.575 -10.905 -3.787 141 HG SER 22 HG SER 22 -13.507 -9.807 -3.709 142 H SER 23 H SER 23 -9.244 -7.970 -5.968 143 HA SER 23 HA SER 23 -7.525 -8.177 -3.747 144 HB2 SER 23 1HB SER 23 -5.974 -9.845 -4.388 145 HB3 SER 23 2HB SER 23 -7.556 -10.586 -4.624 146 HG SER 23 HG SER 23 -6.220 -10.946 -6.422 147 H LEU 24 H LEU 24 -5.289 -7.432 -4.275 148 HA LEU 24 HA LEU 24 -4.922 -6.142 -6.838 149 HB2 LEU 24 1HB LEU 24 -5.098 -4.522 -4.301 150 HB3 LEU 24 2HB LEU 24 -4.584 -3.910 -5.872 151 HG LEU 24 HG LEU 24 -7.327 -5.050 -5.380 152 HD11 LEU 24 1HD1 LEU 24 -8.164 -2.905 -4.948 153 HD12 LEU 24 2HD1 LEU 24 -6.661 -2.124 -5.434 154 HD13 LEU 24 3HD1 LEU 24 -6.731 -3.042 -3.930 155 HD21 LEU 24 1HD2 LEU 24 -6.843 -5.022 -7.683 156 HD22 LEU 24 2HD2 LEU 24 -6.042 -3.454 -7.580 157 HD23 LEU 24 3HD2 LEU 24 -7.793 -3.565 -7.389 158 H SER 25 H SER 25 -2.790 -5.703 -7.296 159 HA SER 25 HA SER 25 -0.848 -6.494 -5.225 160 HB2 SER 25 1HB SER 25 -1.180 -7.953 -7.366 161 HB3 SER 25 2HB SER 25 -0.252 -6.682 -8.162 162 HG SER 25 HG SER 25 1.286 -8.029 -7.472 163 H LEU 26 H LEU 26 0.493 -4.955 -4.577 164 HA LEU 26 HA LEU 26 0.818 -2.570 -6.263 165 HB2 LEU 26 1HB LEU 26 1.345 -2.906 -3.314 166 HB3 LEU 26 2HB LEU 26 1.463 -1.403 -4.228 167 HG LEU 26 HG LEU 26 -1.138 -2.878 -4.081 168 HD11 LEU 26 1HD1 LEU 26 0.042 -1.071 -1.985 169 HD12 LEU 26 2HD1 LEU 26 -0.571 -2.712 -1.785 170 HD13 LEU 26 3HD1 LEU 26 -1.686 -1.391 -2.132 171 HD21 LEU 26 1HD2 LEU 26 -1.820 -1.126 -5.254 172 HD22 LEU 26 2HD2 LEU 26 -0.193 -0.447 -5.212 173 HD23 LEU 26 3HD2 LEU 26 -1.345 -0.057 -3.934 174 H ALA 27 H ALA 27 2.948 -1.502 -6.199 175 HA ALA 27 HA ALA 27 5.266 -2.910 -5.348 176 HB1 ALA 27 1HB ALA 27 5.322 -4.374 -7.059 177 HB2 ALA 27 2HB ALA 27 4.281 -3.384 -8.081 178 HB3 ALA 27 3HB ALA 27 5.997 -3.004 -7.942 179 H TRP 28 H TRP 28 6.811 -1.448 -5.018 180 HA TRP 28 HA TRP 28 6.627 1.110 -6.467 181 HB2 TRP 28 1HB TRP 28 8.125 1.793 -4.364 182 HB3 TRP 28 2HB TRP 28 6.365 1.806 -4.306 183 HD1 TRP 28 HD TRP 28 9.187 0.643 -2.353 184 HE1 TRP 28 1HE TRP 28 8.498 -1.203 -0.697 185 HE3 TRP 28 3HE TRP 28 4.621 -0.550 -4.319 186 HZ2 TRP 28 2HZ TRP 28 6.310 -2.936 -0.279 187 HZ3 TRP 28 3HZ TRP 28 3.293 -2.313 -3.232 188 HH2 TRP 28 HH TRP 28 4.122 -3.481 -1.254 189 H ALA 29 H ALA 29 8.794 2.281 -6.575 190 HA ALA 29 HA ALA 29 10.765 0.393 -7.625 191 HB1 ALA 29 1HB ALA 29 10.935 3.371 -7.903 192 HB2 ALA 29 2HB ALA 29 11.591 2.116 -8.954 193 HB3 ALA 29 3HB ALA 29 9.854 2.420 -8.922 194 H VAL 30 H VAL 30 12.301 -0.245 -6.268 195 HA VAL 30 HA VAL 30 12.974 0.504 -3.811 196 HB VAL 30 HB VAL 30 15.098 -0.023 -5.892 197 HG11 VAL 30 1HG1 VAL 30 16.165 0.639 -3.909 198 HG12 VAL 30 2HG1 VAL 30 15.023 -0.248 -2.898 199 HG13 VAL 30 3HG1 VAL 30 16.202 -1.123 -3.876 200 HG21 VAL 30 1HG2 VAL 30 14.780 -2.424 -4.959 201 HG22 VAL 30 2HG2 VAL 30 13.184 -1.843 -4.486 202 HG23 VAL 30 3HG2 VAL 30 13.663 -1.819 -6.183 203 HA PRO 31 HA PRO 31 13.932 4.881 -4.587 204 HB2 PRO 31 1HB PRO 31 13.428 5.654 -2.034 205 HB3 PRO 31 2HB PRO 31 12.155 5.436 -3.241 206 HG2 PRO 31 1HG PRO 31 13.047 3.576 -1.072 207 HG3 PRO 31 2HG PRO 31 11.401 3.983 -1.590 208 HD2 PRO 31 1HD PRO 31 12.643 1.700 -2.347 209 HD3 PRO 31 2HD PRO 31 11.473 2.540 -3.385 210 H ARG 32 H ARG 32 15.423 6.393 -3.390 211 HA ARG 32 HA ARG 32 17.747 4.875 -2.433 212 HB2 ARG 32 1HB ARG 32 17.425 7.521 -3.806 213 HB3 ARG 32 2HB ARG 32 18.873 7.192 -2.864 214 HG2 ARG 32 1HG ARG 32 19.049 5.052 -4.284 215 HG3 ARG 32 2HG ARG 32 17.911 5.861 -5.363 216 HD2 ARG 32 1HD ARG 32 20.560 6.990 -4.464 217 HD3 ARG 32 2HD ARG 32 20.267 6.205 -6.016 218 HE ARG 32 HE ARG 32 18.470 8.369 -5.568 219 HH11 ARG 32 2HH1 ARG 32 21.721 7.591 -6.537 220 HH12 ARG 32 1HH1 ARG 32 21.924 9.030 -7.481 221 HH21 ARG 32 2HH2 ARG 32 18.724 10.267 -6.807 222 HH22 ARG 32 1HH2 ARG 32 20.218 10.552 -7.632 223 H ALA 33 H ALA 33 17.762 4.720 -0.281 224 HA ALA 33 HA ALA 33 16.894 7.015 1.328 225 HB1 ALA 33 1HB ALA 33 17.576 4.618 2.816 226 HB2 ALA 33 2HB ALA 33 16.080 5.553 2.799 227 HB3 ALA 33 3HB ALA 33 16.361 4.317 1.573 228 HA PRO 34 HA PRO 34 21.090 8.031 2.261 229 HB2 PRO 34 1HB PRO 34 20.617 9.612 4.417 230 HB3 PRO 34 2HB PRO 34 20.302 10.131 2.757 231 HG2 PRO 34 1HG PRO 34 18.392 9.073 4.806 232 HG3 PRO 34 2HG PRO 34 18.190 10.432 3.684 233 HD2 PRO 34 1HD PRO 34 17.108 7.992 3.228 234 HD3 PRO 34 2HD PRO 34 17.655 9.054 1.915 235 H SER 35 H SER 35 18.982 7.166 5.004 236 HA SER 35 HA SER 35 21.236 6.204 6.542 237 HB2 SER 35 1HB SER 35 18.264 6.285 7.078 238 HB3 SER 35 2HB SER 35 19.422 5.569 8.198 239 HG SER 35 HG SER 35 18.795 7.909 8.433 240 H GLY 36 H GLY 36 22.059 4.455 5.409 241 HA2 GLY 36 1HA GLY 36 22.243 2.261 4.763 242 HA3 GLY 36 2HA GLY 36 21.027 1.930 5.988 243 H ALA 37 H ALA 37 20.929 0.312 3.918 244 HA ALA 37 HA ALA 37 19.214 1.330 1.825 245 HB1 ALA 37 1HB ALA 37 21.041 -0.544 1.704 246 HB2 ALA 37 2HB ALA 37 19.710 -1.583 2.214 247 HB3 ALA 37 3HB ALA 37 19.579 -0.650 0.723 248 H VAL 38 H VAL 38 17.053 1.116 1.663 249 HA VAL 38 HA VAL 38 15.338 0.934 3.714 250 HB VAL 38 HB VAL 38 14.773 -0.310 1.019 251 HG11 VAL 38 1HG1 VAL 38 12.655 -0.553 1.659 252 HG12 VAL 38 2HG1 VAL 38 13.202 -0.242 3.308 253 HG13 VAL 38 3HG1 VAL 38 12.594 1.083 2.314 254 HG21 VAL 38 1HG2 VAL 38 13.809 1.982 0.539 255 HG22 VAL 38 2HG2 VAL 38 14.681 2.545 1.965 256 HG23 VAL 38 3HG2 VAL 38 15.569 1.876 0.596 257 H LEU 39 H LEU 39 14.569 -0.539 5.101 258 HA LEU 39 HA LEU 39 15.596 -3.256 4.928 259 HB2 LEU 39 1HB LEU 39 14.027 -1.862 7.092 260 HB3 LEU 39 2HB LEU 39 14.683 -3.494 7.204 261 HG LEU 39 HG LEU 39 16.333 -0.985 6.907 262 HD11 LEU 39 1HD1 LEU 39 15.716 -2.670 9.328 263 HD12 LEU 39 2HD1 LEU 39 15.259 -0.988 9.060 264 HD13 LEU 39 3HD1 LEU 39 16.957 -1.418 9.261 265 HD21 LEU 39 1HD2 LEU 39 16.926 -3.798 6.639 266 HD22 LEU 39 2HD2 LEU 39 17.858 -3.068 7.946 267 HD23 LEU 39 3HD2 LEU 39 17.947 -2.396 6.317 268 H ASP 40 H ASP 40 12.422 -1.754 5.567 269 HA ASP 40 HA ASP 40 11.137 -3.722 3.866 270 HB2 ASP 40 1HB ASP 40 10.015 -3.445 6.630 271 HB3 ASP 40 2HB ASP 40 9.805 -4.751 5.467 272 H TYR 41 H TYR 41 8.563 -3.311 4.254 273 HA TYR 41 HA TYR 41 8.130 -0.408 4.334 274 HB2 TYR 41 1HB TYR 41 6.892 -2.169 2.221 275 HB3 TYR 41 2HB TYR 41 6.875 -0.411 2.307 276 HD1 TYR 41 1HD TYR 41 9.078 -3.342 1.755 277 HD2 TYR 41 2HD TYR 41 8.603 0.865 1.332 278 HE1 TYR 41 1HE TYR 41 11.094 -3.261 0.348 279 HE2 TYR 41 2HE TYR 41 10.616 0.957 -0.077 280 HH TYR 41 HH TYR 41 11.848 -1.085 -1.662 281 H GLU 42 H GLU 42 5.792 0.154 4.474 282 HA GLU 42 HA GLU 42 4.239 -1.947 5.829 283 HB2 GLU 42 1HB GLU 42 5.361 -0.021 7.258 284 HB3 GLU 42 2HB GLU 42 3.966 0.894 6.703 285 HG2 GLU 42 1HG GLU 42 3.144 0.065 8.652 286 HG3 GLU 42 2HG GLU 42 2.653 -1.218 7.548 287 H VAL 43 H VAL 43 2.697 -2.383 4.367 288 HA VAL 43 HA VAL 43 1.474 -0.262 2.809 289 HB VAL 43 HB VAL 43 0.985 -3.242 2.845 290 HG11 VAL 43 1HG1 VAL 43 -0.466 -2.970 0.981 291 HG12 VAL 43 2HG1 VAL 43 -1.022 -1.857 2.233 292 HG13 VAL 43 3HG1 VAL 43 -0.093 -1.251 0.861 293 HG21 VAL 43 1HG2 VAL 43 2.584 -1.403 1.105 294 HG22 VAL 43 2HG2 VAL 43 3.064 -2.926 1.854 295 HG23 VAL 43 3HG2 VAL 43 1.966 -2.930 0.475 296 H LYS 44 H LYS 44 -0.276 0.809 3.424 297 HA LYS 44 HA LYS 44 -2.092 -0.457 5.371 298 HB2 LYS 44 1HB LYS 44 -0.653 1.567 6.118 299 HB3 LYS 44 2HB LYS 44 -1.754 2.520 5.132 300 HG2 LYS 44 1HG LYS 44 -3.636 1.783 6.462 301 HG3 LYS 44 2HG LYS 44 -2.580 0.736 7.414 302 HD2 LYS 44 1HD LYS 44 -2.740 2.590 8.776 303 HD3 LYS 44 2HD LYS 44 -1.270 2.949 7.867 304 HE2 LYS 44 1HE LYS 44 -2.392 4.944 7.684 305 HE3 LYS 44 2HE LYS 44 -2.941 4.121 6.225 306 HZ1 LYS 44 1HZ LYS 44 -4.566 3.610 8.551 307 HZ2 LYS 44 2HZ LYS 44 -5.028 4.025 6.977 308 HZ3 LYS 44 3HZ LYS 44 -4.559 5.232 8.066 309 H TYR 45 H TYR 45 -3.949 -0.970 4.434 310 HA TYR 45 HA TYR 45 -5.073 0.887 2.440 311 HB2 TYR 45 1HB TYR 45 -6.067 -1.043 1.297 312 HB3 TYR 45 2HB TYR 45 -4.314 -1.181 1.362 313 HD1 TYR 45 2HD TYR 45 -3.347 -2.608 3.309 314 HD2 TYR 45 1HD TYR 45 -7.387 -2.825 1.993 315 HE1 TYR 45 2HE TYR 45 -3.555 -4.835 4.333 316 HE2 TYR 45 1HE TYR 45 -7.607 -5.052 3.014 317 HH TYR 45 HH TYR 45 -5.630 -6.997 3.629 318 H HIS 46 H HIS 46 -7.364 1.062 2.378 319 HA HIS 46 HA HIS 46 -9.106 -0.273 4.139 320 HB2 HIS 46 1HB HIS 46 -9.442 1.243 5.895 321 HB3 HIS 46 2HB HIS 46 -7.690 1.188 5.725 322 HD1 HIS 46 1HD HIS 46 -7.318 3.168 3.410 323 HD2 HIS 46 2HD HIS 46 -9.836 3.826 6.649 324 HE1 HIS 46 1HE HIS 46 -7.591 5.663 3.553 325 HE2 HIS 46 2HE HIS 46 -9.049 6.042 5.572 326 H GLU 47 H GLU 47 -11.280 0.423 3.933 327 HA GLU 47 HA GLU 47 -11.848 1.664 1.425 328 HB2 GLU 47 1HB GLU 47 -13.163 -0.169 2.815 329 HB3 GLU 47 2HB GLU 47 -13.979 1.244 3.471 330 HG2 GLU 47 1HG GLU 47 -14.865 1.844 1.401 331 HG3 GLU 47 2HG GLU 47 -13.725 0.832 0.517 332 H LYS 48 H LYS 48 -11.637 3.786 1.155 333 HA LYS 48 HA LYS 48 -11.406 5.798 2.926 334 HB2 LYS 48 1HB LYS 48 -11.545 5.768 0.279 335 HB3 LYS 48 2HB LYS 48 -13.177 6.346 0.586 336 HG2 LYS 48 1HG LYS 48 -10.934 7.704 1.977 337 HG3 LYS 48 2HG LYS 48 -11.150 7.999 0.250 338 HD2 LYS 48 1HD LYS 48 -13.541 8.163 2.012 339 HD3 LYS 48 2HD LYS 48 -12.365 9.477 2.084 340 HE2 LYS 48 1HE LYS 48 -12.545 9.481 -0.487 341 HE3 LYS 48 2HE LYS 48 -14.021 8.550 -0.238 342 HZ1 LYS 48 1HZ LYS 48 -14.359 10.989 -0.423 343 HZ2 LYS 48 2HZ LYS 48 -13.504 11.186 1.023 344 HZ3 LYS 48 3HZ LYS 48 -14.960 10.324 1.012 345 H GLY 49 H GLY 49 -12.655 7.026 4.250 346 HA2 GLY 49 1HA GLY 49 -14.469 7.653 5.510 347 HA3 GLY 49 2HA GLY 49 -15.448 7.297 4.095 348 H ALA 50 H ALA 50 -13.530 5.340 6.379 349 HA ALA 50 HA ALA 50 -15.838 3.529 6.606 350 HB1 ALA 50 1HB ALA 50 -12.886 3.086 6.865 351 HB2 ALA 50 2HB ALA 50 -14.043 1.952 7.563 352 HB3 ALA 50 3HB ALA 50 -14.049 2.262 5.827 353 H GLU 51 H GLU 51 -15.445 2.217 8.870 354 HA GLU 51 HA GLU 51 -16.468 3.761 10.873 355 HB2 GLU 51 1HB GLU 51 -14.745 1.295 11.025 356 HB3 GLU 51 2HB GLU 51 -15.450 2.030 12.457 357 HG2 GLU 51 1HG GLU 51 -16.966 0.955 10.090 358 HG3 GLU 51 2HG GLU 51 -16.804 0.181 11.665 359 H GLY 52 H GLY 52 -13.063 2.686 10.894 360 HA2 GLY 52 1HA GLY 52 -12.017 5.277 11.388 361 HA3 GLY 52 2HA GLY 52 -12.188 4.397 12.900 362 HA PRO 53 HA PRO 53 -7.992 3.379 11.384 363 HB2 PRO 53 1HB PRO 53 -6.919 3.178 13.869 364 HB3 PRO 53 2HB PRO 53 -7.096 4.718 13.021 365 HG2 PRO 53 1HG PRO 53 -8.832 3.513 15.141 366 HG3 PRO 53 2HG PRO 53 -8.279 5.188 14.967 367 HD2 PRO 53 1HD PRO 53 -10.760 4.389 14.233 368 HD3 PRO 53 2HD PRO 53 -9.888 5.688 13.395 369 H SER 54 H SER 54 -10.461 1.721 12.787 370 HA SER 54 HA SER 54 -8.914 -0.667 13.445 371 HB2 SER 54 1HB SER 54 -10.650 -0.152 15.023 372 HB3 SER 54 2HB SER 54 -11.849 0.003 13.739 373 HG SER 54 HG SER 54 -12.069 -2.095 13.692 374 H SER 55 H SER 55 -11.125 0.568 11.034 375 HA SER 55 HA SER 55 -11.632 -1.923 9.752 376 HB2 SER 55 1HB SER 55 -12.101 0.952 9.093 377 HB3 SER 55 2HB SER 55 -12.196 -0.230 7.788 378 HG SER 55 HG SER 55 -14.115 0.349 9.355 379 H VAL 56 H VAL 56 -9.070 0.396 9.610 380 HA VAL 56 HA VAL 56 -8.025 -0.521 7.081 381 HB VAL 56 HB VAL 56 -7.630 1.777 7.641 382 HG11 VAL 56 1HG1 VAL 56 -7.646 2.111 9.887 383 HG12 VAL 56 2HG1 VAL 56 -6.742 0.634 10.225 384 HG13 VAL 56 3HG1 VAL 56 -5.900 2.072 9.647 385 HG21 VAL 56 1HG2 VAL 56 -5.628 1.727 6.672 386 HG22 VAL 56 2HG2 VAL 56 -4.880 1.048 8.117 387 HG23 VAL 56 3HG2 VAL 56 -5.619 -0.018 6.922 388 H ARG 57 H ARG 57 -6.520 -2.045 6.740 389 HA ARG 57 HA ARG 57 -5.469 -3.454 9.093 390 HB2 ARG 57 1HB ARG 57 -5.862 -4.325 6.230 391 HB3 ARG 57 2HB ARG 57 -4.978 -5.282 7.411 392 HG2 ARG 57 1HG ARG 57 -7.070 -5.205 8.836 393 HG3 ARG 57 2HG ARG 57 -7.892 -4.563 7.412 394 HD2 ARG 57 1HD ARG 57 -6.865 -6.624 6.211 395 HD3 ARG 57 2HD ARG 57 -6.676 -7.263 7.844 396 HE ARG 57 HE ARG 57 -9.325 -6.301 7.265 397 HH11 ARG 57 2HH1 ARG 57 -7.156 -9.020 7.103 398 HH12 ARG 57 1HH1 ARG 57 -8.426 -10.197 7.063 399 HH21 ARG 57 2HH2 ARG 57 -11.006 -7.842 7.213 400 HH22 ARG 57 1HH2 ARG 57 -10.616 -9.526 7.125 401 H PHE 58 H PHE 58 -3.264 -4.390 8.861 402 HA PHE 58 HA PHE 58 -1.498 -2.595 7.330 403 HB2 PHE 58 1HB PHE 58 -1.357 -3.480 10.183 404 HB3 PHE 58 2HB PHE 58 0.143 -3.186 9.310 405 HD1 PHE 58 2HD PHE 58 -3.171 -1.522 9.758 406 HD2 PHE 58 1HD PHE 58 1.061 -1.108 9.564 407 HE1 PHE 58 2HE PHE 58 -3.389 0.887 10.205 408 HE2 PHE 58 1HE PHE 58 0.849 1.302 10.012 409 HZ PHE 58 HZ PHE 58 -1.378 2.303 10.332 410 H LEU 59 H LEU 59 0.004 -3.540 6.084 411 HA LEU 59 HA LEU 59 0.442 -6.435 6.414 412 HB2 LEU 59 1HB LEU 59 -0.847 -6.222 4.462 413 HB3 LEU 59 2HB LEU 59 0.049 -4.802 3.927 414 HG LEU 59 HG LEU 59 2.034 -6.575 3.842 415 HD11 LEU 59 1HD1 LEU 59 1.426 -8.750 3.401 416 HD12 LEU 59 2HD1 LEU 59 -0.225 -8.314 2.962 417 HD13 LEU 59 3HD1 LEU 59 0.267 -8.309 4.656 418 HD21 LEU 59 1HD2 LEU 59 0.272 -5.349 1.992 419 HD22 LEU 59 2HD2 LEU 59 0.549 -7.007 1.457 420 HD23 LEU 59 3HD2 LEU 59 1.918 -5.926 1.725 421 H LYS 60 H LYS 60 2.430 -6.707 7.182 422 HA LYS 60 HA LYS 60 4.552 -4.839 6.501 423 HB2 LYS 60 1HB LYS 60 4.210 -7.031 8.504 424 HB3 LYS 60 2HB LYS 60 5.839 -6.543 8.054 425 HG2 LYS 60 1HG LYS 60 5.600 -4.431 8.961 426 HG3 LYS 60 2HG LYS 60 3.837 -4.489 8.889 427 HD2 LYS 60 1HD LYS 60 5.295 -6.436 10.621 428 HD3 LYS 60 2HD LYS 60 5.090 -4.773 11.175 429 HE2 LYS 60 1HE LYS 60 2.752 -4.945 11.176 430 HE3 LYS 60 2HE LYS 60 2.772 -6.393 10.170 431 HZ1 LYS 60 1HZ LYS 60 3.299 -6.122 13.045 432 HZ2 LYS 60 2HZ LYS 60 4.061 -7.368 12.193 433 HZ3 LYS 60 3HZ LYS 60 2.372 -7.277 12.226 434 H THR 61 H THR 61 6.043 -5.182 4.990 435 HA THR 61 HA THR 61 6.670 -7.913 4.155 436 HB THR 61 HB THR 61 4.984 -7.314 2.555 437 HG1 THR 61 1HG THR 61 6.850 -8.329 1.684 438 HG21 THR 61 1HG2 THR 61 4.754 -5.288 1.514 439 HG22 THR 61 2HG2 THR 61 6.483 -4.943 1.562 440 HG23 THR 61 3HG2 THR 61 5.506 -4.756 3.017 441 H SER 62 H SER 62 8.727 -8.175 3.296 442 HA SER 62 HA SER 62 10.509 -5.870 3.678 443 HB2 SER 62 1HB SER 62 12.284 -7.426 4.075 444 HB3 SER 62 2HB SER 62 10.897 -7.988 5.008 445 HG SER 62 HG SER 62 10.460 -9.391 3.155 446 H GLU 63 H GLU 63 8.945 -6.181 1.288 447 HA GLU 63 HA GLU 63 11.137 -6.258 -0.648 448 HB2 GLU 63 1HB GLU 63 8.499 -7.667 -1.090 449 HB3 GLU 63 2HB GLU 63 9.822 -7.555 -2.242 450 HG2 GLU 63 1HG GLU 63 9.962 -8.937 0.428 451 HG3 GLU 63 2HG GLU 63 9.712 -9.736 -1.123 452 H ASN 64 H ASN 64 9.972 -5.659 -2.933 453 HA ASN 64 HA ASN 64 8.564 -3.138 -2.374 454 HB2 ASN 64 1HB ASN 64 9.528 -2.228 -4.343 455 HB3 ASN 64 2HB ASN 64 10.831 -3.088 -3.528 456 HD21 ASN 64 1HD2 ASN 64 11.108 -2.496 -6.137 457 HD22 ASN 64 2HD2 ASN 64 10.981 -3.924 -7.101 458 H ARG 65 H ARG 65 7.293 -5.766 -2.592 459 HA ARG 65 HA ARG 65 5.233 -5.033 -4.471 460 HB2 ARG 65 1HB ARG 65 5.312 -7.255 -5.640 461 HB3 ARG 65 2HB ARG 65 6.644 -6.173 -6.024 462 HG2 ARG 65 1HG ARG 65 7.816 -7.494 -4.061 463 HG3 ARG 65 2HG ARG 65 6.645 -8.731 -4.523 464 HD2 ARG 65 1HD ARG 65 8.373 -7.361 -6.557 465 HD3 ARG 65 2HD ARG 65 8.947 -8.763 -5.655 466 HE ARG 65 HE ARG 65 7.177 -8.789 -7.859 467 HH11 ARG 65 2HH1 ARG 65 7.746 -10.326 -4.788 468 HH12 ARG 65 1HH1 ARG 65 6.997 -11.819 -5.249 469 HH21 ARG 65 2HH2 ARG 65 6.188 -10.749 -8.478 470 HH22 ARG 65 1HH2 ARG 65 6.112 -12.059 -7.348 471 H ALA 66 H ALA 66 3.320 -5.569 -3.641 472 HA ALA 66 HA ALA 66 3.161 -7.852 -1.795 473 HB1 ALA 66 1HB ALA 66 1.630 -6.524 -0.358 474 HB2 ALA 66 2HB ALA 66 3.285 -5.913 -0.386 475 HB3 ALA 66 3HB ALA 66 2.029 -5.100 -1.319 476 H GLU 67 H GLU 67 0.911 -8.595 -1.440 477 HA GLU 67 HA GLU 67 -0.858 -7.982 -3.708 478 HB2 GLU 67 1HB GLU 67 0.276 -10.066 -4.233 479 HB3 GLU 67 2HB GLU 67 -0.158 -10.730 -2.664 480 HG2 GLU 67 1HG GLU 67 -2.458 -10.824 -3.247 481 HG3 GLU 67 2HG GLU 67 -2.185 -9.891 -4.717 482 H LEU 68 H LEU 68 -2.399 -6.874 -2.620 483 HA LEU 68 HA LEU 68 -3.353 -7.704 -0.040 484 HB2 LEU 68 1HB LEU 68 -4.592 -5.695 -1.908 485 HB3 LEU 68 2HB LEU 68 -4.836 -5.831 -0.168 486 HG LEU 68 HG LEU 68 -2.171 -5.141 -1.383 487 HD11 LEU 68 1HD1 LEU 68 -4.144 -3.158 -0.288 488 HD12 LEU 68 2HD1 LEU 68 -4.022 -3.528 -2.008 489 HD13 LEU 68 3HD1 LEU 68 -2.639 -2.846 -1.152 490 HD21 LEU 68 1HD2 LEU 68 -2.851 -4.103 1.241 491 HD22 LEU 68 2HD2 LEU 68 -1.434 -5.013 0.716 492 HD23 LEU 68 3HD2 LEU 68 -2.908 -5.865 1.179 493 H ARG 69 H ARG 69 -4.812 -9.229 0.318 494 HA ARG 69 HA ARG 69 -6.648 -9.961 -1.864 495 HB2 ARG 69 1HB ARG 69 -5.598 -11.596 0.450 496 HB3 ARG 69 2HB ARG 69 -6.850 -12.148 -0.655 497 HG2 ARG 69 1HG ARG 69 -5.358 -12.210 -2.477 498 HG3 ARG 69 2HG ARG 69 -4.133 -11.290 -1.600 499 HD2 ARG 69 1HD ARG 69 -5.092 -13.990 -0.690 500 HD3 ARG 69 2HD ARG 69 -3.752 -13.793 -1.818 501 HE ARG 69 HE ARG 69 -3.148 -12.186 0.327 502 HH11 ARG 69 2HH1 ARG 69 -3.799 -15.569 -0.175 503 HH12 ARG 69 1HH1 ARG 69 -2.793 -16.091 1.135 504 HH21 ARG 69 2HH2 ARG 69 -1.820 -12.861 2.055 505 HH22 ARG 69 1HH2 ARG 69 -1.669 -14.549 2.403 506 H GLY 70 H GLY 70 -8.833 -10.132 -1.487 507 HA2 GLY 70 1HA GLY 70 -10.810 -10.108 -0.231 508 HA3 GLY 70 2HA GLY 70 -9.865 -9.746 1.207 509 H LEU 71 H LEU 71 -10.929 -8.301 -1.862 510 HA LEU 71 HA LEU 71 -11.557 -5.840 -0.436 511 HB2 LEU 71 1HB LEU 71 -9.915 -5.743 -2.951 512 HB3 LEU 71 2HB LEU 71 -10.321 -4.414 -1.866 513 HG LEU 71 HG LEU 71 -8.668 -6.670 -0.828 514 HD11 LEU 71 1HD1 LEU 71 -6.635 -5.549 -1.603 515 HD12 LEU 71 2HD1 LEU 71 -7.616 -4.416 -2.532 516 HD13 LEU 71 3HD1 LEU 71 -7.614 -6.130 -2.951 517 HD21 LEU 71 1HD2 LEU 71 -9.016 -3.745 -0.266 518 HD22 LEU 71 2HD2 LEU 71 -7.610 -4.634 0.322 519 HD23 LEU 71 3HD2 LEU 71 -9.232 -5.118 0.820 520 H LYS 72 H LYS 72 -12.471 -4.205 -2.193 521 HA LYS 72 HA LYS 72 -14.367 -5.749 -3.836 522 HB2 LYS 72 1HB LYS 72 -14.673 -3.203 -2.274 523 HB3 LYS 72 2HB LYS 72 -15.744 -3.555 -3.625 524 HG2 LYS 72 1HG LYS 72 -16.607 -5.481 -2.561 525 HG3 LYS 72 2HG LYS 72 -15.345 -5.449 -1.326 526 HD2 LYS 72 1HD LYS 72 -17.114 -4.532 -0.174 527 HD3 LYS 72 2HD LYS 72 -16.337 -3.080 -0.808 528 HE2 LYS 72 1HE LYS 72 -18.706 -2.906 -1.161 529 HE3 LYS 72 2HE LYS 72 -17.916 -3.133 -2.721 530 HZ1 LYS 72 1HZ LYS 72 -19.913 -4.497 -2.487 531 HZ2 LYS 72 2HZ LYS 72 -19.238 -5.279 -1.148 532 HZ3 LYS 72 3HZ LYS 72 -18.530 -5.454 -2.675 533 H ARG 73 H ARG 73 -14.879 -5.013 -5.911 534 HA ARG 73 HA ARG 73 -12.861 -3.220 -7.071 535 HB2 ARG 73 1HB ARG 73 -13.711 -4.259 -9.259 536 HB3 ARG 73 2HB ARG 73 -12.757 -5.278 -8.189 537 HG2 ARG 73 1HG ARG 73 -14.523 -6.614 -7.653 538 HG3 ARG 73 2HG ARG 73 -15.709 -5.330 -7.894 539 HD2 ARG 73 1HD ARG 73 -14.210 -6.794 -10.064 540 HD3 ARG 73 2HD ARG 73 -15.898 -7.046 -9.620 541 HE ARG 73 HE ARG 73 -14.864 -4.993 -11.296 542 HH11 ARG 73 2HH1 ARG 73 -17.340 -5.688 -8.950 543 HH12 ARG 73 1HH1 ARG 73 -18.438 -4.496 -9.563 544 HH21 ARG 73 2HH2 ARG 73 -16.300 -3.421 -12.113 545 HH22 ARG 73 1HH2 ARG 73 -17.846 -3.208 -11.363 546 H GLY 74 H GLY 74 -13.662 -1.189 -6.945 547 HA2 GLY 74 1HA GLY 74 -15.003 0.299 -8.437 548 HA3 GLY 74 2HA GLY 74 -16.363 -0.748 -8.061 549 H ALA 75 H ALA 75 -14.152 -0.096 -5.513 550 HA ALA 75 HA ALA 75 -16.061 1.837 -4.364 551 HB1 ALA 75 1HB ALA 75 -15.458 -0.668 -3.384 552 HB2 ALA 75 2HB ALA 75 -14.453 0.406 -2.410 553 HB3 ALA 75 3HB ALA 75 -16.198 0.653 -2.480 554 H SER 76 H SER 76 -14.963 3.060 -2.460 555 HA SER 76 HA SER 76 -12.670 4.407 -3.588 556 HB2 SER 76 1HB SER 76 -14.281 4.908 -1.077 557 HB3 SER 76 2HB SER 76 -12.938 5.923 -1.604 558 HG SER 76 HG SER 76 -14.091 6.499 -3.406 559 H TYR 77 H TYR 77 -10.885 3.123 -3.418 560 HA TYR 77 HA TYR 77 -10.074 2.354 -0.690 561 HB2 TYR 77 1HB TYR 77 -9.836 0.928 -3.302 562 HB3 TYR 77 2HB TYR 77 -8.564 0.698 -2.108 563 HD1 TYR 77 2HD TYR 77 -12.193 0.312 -2.716 564 HD2 TYR 77 1HD TYR 77 -8.900 -0.684 -0.212 565 HE1 TYR 77 2HE TYR 77 -13.578 -1.368 -1.572 566 HE2 TYR 77 1HE TYR 77 -10.276 -2.367 0.938 567 HH TYR 77 HH TYR 77 -12.674 -2.820 1.343 568 H LEU 78 H LEU 78 -8.490 3.585 0.052 569 HA LEU 78 HA LEU 78 -6.572 4.737 -1.860 570 HB2 LEU 78 1HB LEU 78 -7.534 5.658 0.832 571 HB3 LEU 78 2HB LEU 78 -6.077 6.311 0.085 572 HG LEU 78 HG LEU 78 -7.620 6.892 -1.899 573 HD11 LEU 78 1HD1 LEU 78 -9.956 7.336 -1.208 574 HD12 LEU 78 2HD1 LEU 78 -9.645 6.462 0.291 575 HD13 LEU 78 3HD1 LEU 78 -9.556 5.619 -1.256 576 HD21 LEU 78 1HD2 LEU 78 -8.097 8.401 0.660 577 HD22 LEU 78 2HD2 LEU 78 -8.046 9.032 -0.987 578 HD23 LEU 78 3HD2 LEU 78 -6.567 8.456 -0.216 579 H VAL 79 H VAL 79 -4.865 3.406 -1.974 580 HA VAL 79 HA VAL 79 -3.867 2.080 0.419 581 HB VAL 79 HB VAL 79 -2.918 1.899 -2.444 582 HG11 VAL 79 1HG1 VAL 79 -1.254 0.543 -1.796 583 HG12 VAL 79 2HG1 VAL 79 -1.476 1.284 -0.210 584 HG13 VAL 79 3HG1 VAL 79 -2.250 -0.257 -0.580 585 HG21 VAL 79 1HG2 VAL 79 -5.260 1.016 -1.723 586 HG22 VAL 79 2HG2 VAL 79 -4.206 -0.002 -2.704 587 HG23 VAL 79 3HG2 VAL 79 -4.333 -0.281 -0.968 588 H GLN 80 H GLN 80 -2.076 2.647 1.507 589 HA GLN 80 HA GLN 80 -0.387 4.773 0.365 590 HB2 GLN 80 1HB GLN 80 -1.444 4.470 3.168 591 HB3 GLN 80 2HB GLN 80 -0.039 5.464 2.808 592 HG2 GLN 80 1HG GLN 80 -1.295 6.963 1.511 593 HG3 GLN 80 2HG GLN 80 -2.664 5.856 1.415 594 HE21 GLN 80 1HE2 GLN 80 -3.899 5.484 3.337 595 HE22 GLN 80 2HE2 GLN 80 -3.983 6.699 4.562 596 H VAL 81 H VAL 81 1.635 4.139 0.067 597 HA VAL 81 HA VAL 81 2.669 1.905 1.679 598 HB VAL 81 HB VAL 81 3.640 2.922 -0.996 599 HG11 VAL 81 1HG1 VAL 81 5.515 1.809 -0.578 600 HG12 VAL 81 2HG1 VAL 81 4.891 1.277 0.985 601 HG13 VAL 81 3HG1 VAL 81 4.575 0.322 -0.464 602 HG21 VAL 81 1HG2 VAL 81 1.373 1.653 -0.764 603 HG22 VAL 81 2HG2 VAL 81 2.514 1.191 -2.027 604 HG23 VAL 81 3HG2 VAL 81 2.405 0.239 -0.546 605 H ARG 82 H ARG 82 4.599 2.066 2.756 606 HA ARG 82 HA ARG 82 5.993 4.653 2.648 607 HB2 ARG 82 1HB ARG 82 6.142 4.784 5.020 608 HB3 ARG 82 2HB ARG 82 4.454 4.475 4.637 609 HG2 ARG 82 1HG ARG 82 4.572 2.258 5.370 610 HG3 ARG 82 2HG ARG 82 6.336 2.251 5.336 611 HD2 ARG 82 1HD ARG 82 6.001 2.497 7.580 612 HD3 ARG 82 2HD ARG 82 6.022 4.193 7.099 613 HE ARG 82 HE ARG 82 3.392 3.414 6.929 614 HH11 ARG 82 2HH1 ARG 82 5.829 3.517 9.413 615 HH12 ARG 82 1HH1 ARG 82 4.694 3.759 10.699 616 HH21 ARG 82 2HH2 ARG 82 1.888 3.731 8.613 617 HH22 ARG 82 1HH2 ARG 82 2.452 3.879 10.243 618 H ALA 83 H ALA 83 8.134 4.449 3.966 619 HA ALA 83 HA ALA 83 9.362 1.836 3.378 620 HB1 ALA 83 1HB ALA 83 9.956 3.633 1.725 621 HB2 ALA 83 2HB ALA 83 10.768 4.476 3.044 622 HB3 ALA 83 3HB ALA 83 11.325 2.880 2.543 623 H ARG 84 H ARG 84 10.994 1.137 4.774 624 HA ARG 84 HA ARG 84 11.367 2.732 7.219 625 HB2 ARG 84 1HB ARG 84 9.733 0.880 7.572 626 HB3 ARG 84 2HB ARG 84 10.993 -0.265 7.136 627 HG2 ARG 84 1HG ARG 84 12.321 0.912 9.053 628 HG3 ARG 84 2HG ARG 84 10.711 1.400 9.588 629 HD2 ARG 84 1HD ARG 84 10.026 -0.982 9.532 630 HD3 ARG 84 2HD ARG 84 11.686 -1.416 9.126 631 HE ARG 84 HE ARG 84 11.524 0.148 11.511 632 HH11 ARG 84 2HH1 ARG 84 11.177 -3.068 10.224 633 HH12 ARG 84 1HH1 ARG 84 11.531 -3.849 11.729 634 HH21 ARG 84 2HH2 ARG 84 11.992 -0.868 13.498 635 HH22 ARG 84 1HH2 ARG 84 11.994 -2.597 13.591 636 H SER 85 H SER 85 13.417 2.926 7.896 637 HA SER 85 HA SER 85 15.437 1.103 6.776 638 HB2 SER 85 1HB SER 85 16.849 2.838 6.130 639 HB3 SER 85 2HB SER 85 15.263 3.494 5.725 640 HG SER 85 HG SER 85 17.024 4.634 7.216 641 H GLU 86 H GLU 86 17.589 1.389 7.980 642 HA GLU 86 HA GLU 86 17.411 0.535 10.549 643 HB2 GLU 86 1HB GLU 86 19.567 2.165 9.220 644 HB3 GLU 86 2HB GLU 86 19.741 1.554 10.859 645 HG2 GLU 86 1HG GLU 86 19.261 -0.743 9.893 646 HG3 GLU 86 2HG GLU 86 19.498 -0.006 8.310 647 H ALA 87 H ALA 87 17.695 3.917 9.513 648 HA ALA 87 HA ALA 87 17.860 5.143 11.991 649 HB1 ALA 87 1HB ALA 87 17.911 6.945 10.702 650 HB2 ALA 87 2HB ALA 87 17.441 5.957 9.319 651 HB3 ALA 87 3HB ALA 87 16.205 6.736 10.306 652 H GLY 88 H GLY 88 14.859 4.814 10.075 653 HA2 GLY 88 1HA GLY 88 13.274 3.783 12.131 654 HA3 GLY 88 2HA GLY 88 13.155 5.534 12.208 655 H TYR 89 H TYR 89 10.854 5.030 11.776 656 HA TYR 89 HA TYR 89 10.165 4.108 9.133 657 HB2 TYR 89 1HB TYR 89 8.677 4.920 11.577 658 HB3 TYR 89 2HB TYR 89 7.834 5.056 10.038 659 HD1 TYR 89 2HD TYR 89 7.648 2.985 8.583 660 HD2 TYR 89 1HD TYR 89 8.913 2.837 12.643 661 HE1 TYR 89 2HE TYR 89 7.124 0.583 8.653 662 HE2 TYR 89 1HE TYR 89 8.394 0.434 12.723 663 HH TYR 89 HH TYR 89 6.770 -1.143 11.406 664 H GLY 90 H GLY 90 9.334 5.314 7.447 665 HA2 GLY 90 1HA GLY 90 9.871 8.204 7.629 666 HA3 GLY 90 2HA GLY 90 9.881 7.263 6.145 667 HA PRO 91 HA PRO 91 5.714 9.411 6.964 668 HB2 PRO 91 1HB PRO 91 5.936 11.404 5.134 669 HB3 PRO 91 2HB PRO 91 6.450 11.582 6.815 670 HG2 PRO 91 1HG PRO 91 8.095 10.996 4.383 671 HG3 PRO 91 2HG PRO 91 8.438 12.103 5.726 672 HD2 PRO 91 1HD PRO 91 9.552 9.641 5.546 673 HD3 PRO 91 2HD PRO 91 9.172 10.406 7.102 674 H PHE 92 H PHE 92 3.924 9.304 5.552 675 HA PHE 92 HA PHE 92 4.182 7.370 3.466 676 HB2 PHE 92 1HB PHE 92 1.912 8.933 4.640 677 HB3 PHE 92 2HB PHE 92 1.678 8.070 3.123 678 HD1 PHE 92 1HD PHE 92 2.498 5.560 3.163 679 HD2 PHE 92 2HD PHE 92 1.446 7.838 6.601 680 HE1 PHE 92 1HE PHE 92 2.081 3.480 4.409 681 HE2 PHE 92 2HE PHE 92 1.028 5.762 7.853 682 HZ PHE 92 HZ PHE 92 1.346 3.579 6.757 683 H GLY 93 H GLY 93 4.276 7.636 1.306 684 HA2 GLY 93 1HA GLY 93 4.775 10.298 0.297 685 HA3 GLY 93 2HA GLY 93 4.890 8.797 -0.610 686 H GLN 94 H GLN 94 3.852 10.486 -2.147 687 HA GLN 94 HA GLN 94 1.340 11.477 -2.027 688 HB2 GLN 94 1HB GLN 94 2.772 11.727 -3.989 689 HB3 GLN 94 2HB GLN 94 2.557 10.027 -4.385 690 HG2 GLN 94 1HG GLN 94 0.137 10.448 -4.679 691 HG3 GLN 94 2HG GLN 94 0.439 12.163 -4.405 692 HE21 GLN 94 1HE2 GLN 94 0.550 13.301 -6.189 693 HE22 GLN 94 2HE2 GLN 94 1.131 12.753 -7.721 694 H GLU 95 H GLU 95 -0.601 10.690 -1.579 695 HA GLU 95 HA GLU 95 -1.089 7.940 -1.182 696 HB2 GLU 95 1HB GLU 95 -3.084 10.188 -1.521 697 HB3 GLU 95 2HB GLU 95 -3.432 8.599 -0.854 698 HG2 GLU 95 1HG GLU 95 -3.207 9.966 1.010 699 HG3 GLU 95 2HG GLU 95 -1.656 9.136 0.897 700 H HIS 96 H HIS 96 -2.297 6.457 -2.358 701 HA HIS 96 HA HIS 96 -2.875 7.200 -5.150 702 HB2 HIS 96 1HB HIS 96 -0.803 5.709 -4.715 703 HB3 HIS 96 2HB HIS 96 -1.973 4.440 -4.368 704 HD1 HIS 96 1HD HIS 96 -0.991 6.772 -7.191 705 HD2 HIS 96 2HD HIS 96 -2.935 3.153 -6.570 706 HE1 HIS 96 1HE HIS 96 -1.422 5.838 -9.486 707 HE2 HIS 96 2HE HIS 96 -2.674 3.689 -9.087 708 H HIS 97 H HIS 97 -4.758 6.452 -6.024 709 HA HIS 97 HA HIS 97 -6.556 5.024 -4.182 710 HB2 HIS 97 1HB HIS 97 -7.238 6.862 -6.487 711 HB3 HIS 97 2HB HIS 97 -8.408 6.047 -5.452 712 HD1 HIS 97 1HD HIS 97 -9.397 8.236 -4.560 713 HD2 HIS 97 2HD HIS 97 -5.323 7.835 -3.853 714 HE1 HIS 97 1HE HIS 97 -8.816 10.057 -2.926 715 HE2 HIS 97 2HE HIS 97 -6.330 9.847 -2.579 716 H SER 98 H SER 98 -6.431 2.913 -4.670 717 HA SER 98 HA SER 98 -5.706 1.647 -6.948 718 HB2 SER 98 1HB SER 98 -7.011 -0.276 -6.224 719 HB3 SER 98 2HB SER 98 -6.294 0.509 -4.817 720 HG SER 98 HG SER 98 -8.835 1.349 -5.583 721 H GLN 99 H GLN 99 -6.375 1.636 -8.981 722 HA GLN 99 HA GLN 99 -8.584 3.056 -9.917 723 HB2 GLN 99 1HB GLN 99 -8.193 1.891 -12.065 724 HB3 GLN 99 2HB GLN 99 -6.716 2.538 -11.365 725 HG2 GLN 99 1HG GLN 99 -6.113 0.327 -10.554 726 HG3 GLN 99 2HG GLN 99 -7.609 -0.332 -11.214 727 HE21 GLN 99 1HE2 GLN 99 -7.901 0.238 -13.618 728 HE22 GLN 99 2HE2 GLN 99 -6.515 -0.022 -14.615 729 H THR 100 H THR 100 -8.212 -0.390 -9.218 730 HA THR 100 HA THR 100 -9.738 -2.122 -9.384 731 HB THR 100 HB THR 100 -11.507 -1.917 -7.755 732 HG1 THR 100 1HG THR 100 -11.180 0.813 -8.282 733 HG21 THR 100 1HG2 THR 100 -10.125 -0.690 -5.881 734 HG22 THR 100 2HG2 THR 100 -8.864 -0.688 -7.114 735 HG23 THR 100 3HG2 THR 100 -9.559 -2.213 -6.565 736 H GLN 101 H GLN 101 -9.903 -0.563 -11.710 737 HA GLN 101 HA GLN 101 -11.330 0.171 -13.369 738 HB2 GLN 101 1HB GLN 101 -12.264 -2.549 -12.515 739 HB3 GLN 101 2HB GLN 101 -13.079 -1.703 -13.824 740 HG2 GLN 101 1HG GLN 101 -11.108 -1.665 -15.142 741 HG3 GLN 101 2HG GLN 101 -10.121 -2.222 -13.792 742 HE21 GLN 101 1HE2 GLN 101 -11.578 -3.151 -16.578 743 HE22 GLN 101 2HE2 GLN 101 -11.705 -4.850 -16.291 744 H LEU 102 H LEU 102 -12.005 1.654 -11.263 745 HA LEU 102 HA LEU 102 -14.925 1.447 -10.992 746 HB2 LEU 102 1HB LEU 102 -14.778 2.651 -8.997 747 HB3 LEU 102 2HB LEU 102 -13.413 1.537 -8.952 748 HG LEU 102 HG LEU 102 -12.112 3.613 -9.920 749 HD11 LEU 102 1HD1 LEU 102 -12.987 5.676 -9.586 750 HD12 LEU 102 2HD1 LEU 102 -13.953 5.167 -8.202 751 HD13 LEU 102 3HD1 LEU 102 -14.497 4.801 -9.839 752 HD21 LEU 102 1HD2 LEU 102 -12.274 4.319 -7.238 753 HD22 LEU 102 2HD2 LEU 102 -11.146 3.175 -7.965 754 HD23 LEU 102 3HD2 LEU 102 -12.661 2.599 -7.268 755 H ASP 103 H ASP 103 -12.417 3.273 -12.427 756 HA ASP 103 HA ASP 103 -14.348 5.041 -13.652 757 HB2 ASP 103 1HB ASP 103 -13.238 7.112 -12.992 758 HB3 ASP 103 2HB ASP 103 -13.796 6.239 -11.568 759 H SER 104 H SER 104 -13.850 4.865 -15.727 760 HA SER 104 HA SER 104 -11.122 4.311 -16.552 761 HB2 SER 104 1HB SER 104 -12.072 3.952 -18.772 762 HB3 SER 104 2HB SER 104 -13.012 3.072 -17.567 763 HG SER 104 HG SER 104 -13.792 5.672 -18.254 764 H GLY 105 H GLY 105 -9.779 5.983 -16.735 765 HA2 GLY 105 1HA GLY 105 -10.619 8.265 -18.360 766 HA3 GLY 105 2HA GLY 105 -10.058 8.601 -16.729 767 HA PRO 106 HA PRO 106 -6.338 6.902 -19.371 768 HB2 PRO 106 1HB PRO 106 -6.628 7.249 -22.048 769 HB3 PRO 106 2HB PRO 106 -7.110 5.767 -21.214 770 HG2 PRO 106 1HG PRO 106 -8.795 8.079 -22.095 771 HG3 PRO 106 2HG PRO 106 -9.127 6.341 -22.219 772 HD2 PRO 106 1HD PRO 106 -10.208 7.896 -20.283 773 HD3 PRO 106 2HD PRO 106 -9.807 6.187 -20.022 774 H SER 107 H SER 107 -8.249 9.672 -20.409 775 HA SER 107 HA SER 107 -6.534 11.336 -21.629 776 HB2 SER 107 1HB SER 107 -8.363 12.092 -19.337 777 HB3 SER 107 2HB SER 107 -7.644 13.236 -20.471 778 HG SER 107 HG SER 107 -9.559 12.814 -21.372 779 H SER 108 H SER 108 -4.885 12.762 -21.110 780 HA SER 108 HA SER 108 -3.694 12.440 -18.435 781 HB2 SER 108 1HB SER 108 -2.543 11.232 -20.444 782 HB3 SER 108 2HB SER 108 -1.984 12.849 -20.870 783 HG SER 108 HG SER 108 -1.150 12.961 -18.678 784 H GLY 109 H GLY 109 -3.595 14.449 -21.381 785 HA2 GLY 109 1HA GLY 109 -4.378 16.842 -20.520 786 HA3 GLY 109 2HA GLY 109 -2.777 16.756 -19.801 Start of MODEL 13 1 H1 GLY 1 H GLY 1 17.645 19.386 5.575 2 HA2 GLY 1 1HA GLY 1 18.352 17.170 4.711 3 HA3 GLY 1 2HA GLY 1 19.866 17.942 4.262 4 H SER 2 H SER 2 18.124 16.343 6.720 5 HA SER 2 HA SER 2 20.225 16.951 8.690 6 HB2 SER 2 1HB SER 2 17.343 16.155 8.971 7 HB3 SER 2 2HB SER 2 18.479 15.850 10.285 8 HG SER 2 HG SER 2 18.873 18.034 10.432 9 H SER 3 H SER 3 18.543 14.389 6.997 10 HA SER 3 HA SER 3 18.776 12.092 7.089 11 HB2 SER 3 1HB SER 3 21.627 13.057 6.767 12 HB3 SER 3 2HB SER 3 21.074 11.419 6.418 13 HG SER 3 HG SER 3 20.651 13.784 5.014 14 H GLY 4 H GLY 4 18.399 12.851 9.650 15 HA2 GLY 4 1HA GLY 4 20.437 11.311 11.138 16 HA3 GLY 4 2HA GLY 4 19.585 12.689 11.820 17 H SER 5 H SER 5 17.823 12.297 12.995 18 HA SER 5 HA SER 5 17.031 9.694 13.651 19 HB2 SER 5 1HB SER 5 15.615 12.339 14.030 20 HB3 SER 5 2HB SER 5 15.054 10.822 14.731 21 HG SER 5 HG SER 5 16.440 12.183 16.094 22 H SER 6 H SER 6 15.847 11.940 11.240 23 HA SER 6 HA SER 6 13.408 10.701 10.633 24 HB2 SER 6 1HB SER 6 15.276 12.485 9.108 25 HB3 SER 6 2HB SER 6 13.893 11.761 8.288 26 HG SER 6 HG SER 6 13.978 13.803 10.104 27 H GLY 7 H GLY 7 12.828 9.034 9.325 28 HA2 GLY 7 1HA GLY 7 14.866 7.110 8.669 29 HA3 GLY 7 2HA GLY 7 13.137 6.930 8.412 30 HA PRO 8 HA PRO 8 15.062 7.330 4.248 31 HB2 PRO 8 1HB PRO 8 13.457 5.471 3.090 32 HB3 PRO 8 2HB PRO 8 14.945 5.055 3.949 33 HG2 PRO 8 1HG PRO 8 12.110 4.943 4.905 34 HG3 PRO 8 2HG PRO 8 13.416 3.766 5.137 35 HD2 PRO 8 1HD PRO 8 12.685 5.528 7.059 36 HD3 PRO 8 2HD PRO 8 14.357 4.962 6.869 37 HA PRO 9 HA PRO 9 12.021 9.892 2.373 38 HB2 PRO 9 1HB PRO 9 12.227 9.276 -0.263 39 HB3 PRO 9 2HB PRO 9 13.465 10.187 0.610 40 HG2 PRO 9 1HG PRO 9 13.401 7.280 -0.099 41 HG3 PRO 9 2HG PRO 9 14.751 8.425 -0.194 42 HD2 PRO 9 1HD PRO 9 14.481 6.658 1.839 43 HD3 PRO 9 2HD PRO 9 15.215 8.260 2.057 44 H ALA 10 H ALA 10 9.875 9.914 1.928 45 HA ALA 10 HA ALA 10 8.302 7.651 2.243 46 HB1 ALA 10 1HB ALA 10 7.534 10.180 0.792 47 HB2 ALA 10 2HB ALA 10 6.434 9.005 1.515 48 HB3 ALA 10 3HB ALA 10 7.503 9.961 2.542 49 H VAL 11 H VAL 11 7.633 6.061 0.941 50 HA VAL 11 HA VAL 11 8.787 5.462 -1.481 51 HB VAL 11 HB VAL 11 6.033 4.649 -0.541 52 HG11 VAL 11 1HG1 VAL 11 7.779 3.187 -2.505 53 HG12 VAL 11 2HG1 VAL 11 6.081 2.896 -2.119 54 HG13 VAL 11 3HG1 VAL 11 6.549 4.347 -3.006 55 HG21 VAL 11 1HG2 VAL 11 8.646 3.166 -0.301 56 HG22 VAL 11 2HG2 VAL 11 7.923 4.117 0.997 57 HG23 VAL 11 3HG2 VAL 11 7.084 2.697 0.371 58 H SER 12 H SER 12 8.570 6.147 -3.510 59 HA SER 12 HA SER 12 6.168 7.702 -4.214 60 HB2 SER 12 1HB SER 12 7.433 9.322 -5.330 61 HB3 SER 12 2HB SER 12 8.407 8.990 -3.897 62 HG SER 12 HG SER 12 9.253 8.898 -6.312 63 H ASP 13 H ASP 13 6.190 7.992 -6.762 64 HA ASP 13 HA ASP 13 5.610 6.891 -8.681 65 HB2 ASP 13 1HB ASP 13 8.413 6.026 -8.074 66 HB3 ASP 13 2HB ASP 13 7.577 5.337 -9.463 67 H ILE 14 H ILE 14 4.166 5.764 -6.807 68 HA ILE 14 HA ILE 14 4.631 2.886 -6.769 69 HB ILE 14 HB ILE 14 2.425 4.486 -5.467 70 HG12 ILE 14 1HG1 ILE 14 4.671 3.202 -3.967 71 HG13 ILE 14 2HG1 ILE 14 4.958 4.746 -4.762 72 HG21 ILE 14 1HG2 ILE 14 1.641 2.285 -5.710 73 HG22 ILE 14 2HG2 ILE 14 3.215 1.593 -5.322 74 HG23 ILE 14 3HG2 ILE 14 2.259 2.371 -4.061 75 HD11 ILE 14 1HD1 ILE 14 4.360 5.103 -2.462 76 HD12 ILE 14 2HD1 ILE 14 3.071 5.704 -3.506 77 HD13 ILE 14 3HD1 ILE 14 2.881 4.166 -2.666 78 H ARG 15 H ARG 15 3.976 1.796 -8.503 79 HA ARG 15 HA ARG 15 1.544 2.653 -9.901 80 HB2 ARG 15 1HB ARG 15 3.694 2.324 -11.174 81 HB3 ARG 15 2HB ARG 15 3.575 0.609 -10.804 82 HG2 ARG 15 1HG ARG 15 1.551 0.409 -12.059 83 HG3 ARG 15 2HG ARG 15 1.464 2.157 -12.285 84 HD2 ARG 15 1HD ARG 15 3.893 0.707 -13.216 85 HD3 ARG 15 2HD ARG 15 2.415 0.581 -14.168 86 HE ARG 15 HE ARG 15 4.165 2.797 -14.066 87 HH11 ARG 15 2HH1 ARG 15 0.780 1.994 -14.203 88 HH12 ARG 15 1HH1 ARG 15 0.331 3.463 -15.004 89 HH21 ARG 15 2HH2 ARG 15 3.586 4.734 -15.121 90 HH22 ARG 15 1HH2 ARG 15 1.927 5.021 -15.526 91 H VAL 16 H VAL 16 0.008 1.025 -10.603 92 HA VAL 16 HA VAL 16 -0.148 -1.236 -8.717 93 HB VAL 16 HB VAL 16 -2.434 0.247 -10.023 94 HG11 VAL 16 1HG1 VAL 16 -3.790 -1.098 -8.370 95 HG12 VAL 16 2HG1 VAL 16 -3.099 -2.005 -9.717 96 HG13 VAL 16 3HG1 VAL 16 -2.350 -2.084 -8.122 97 HG21 VAL 16 1HG2 VAL 16 -1.074 0.506 -7.400 98 HG22 VAL 16 2HG2 VAL 16 -1.844 1.736 -8.404 99 HG23 VAL 16 3HG2 VAL 16 -2.831 0.651 -7.425 100 H THR 17 H THR 17 0.261 -3.106 -9.679 101 HA THR 17 HA THR 17 -0.446 -3.440 -12.513 102 HB THR 17 HB THR 17 1.956 -3.844 -11.619 103 HG1 THR 17 1HG THR 17 0.750 -4.663 -13.669 104 HG21 THR 17 1HG2 THR 17 2.447 -5.857 -10.566 105 HG22 THR 17 2HG2 THR 17 0.912 -6.590 -11.032 106 HG23 THR 17 3HG2 THR 17 0.955 -5.363 -9.766 107 H ARG 18 H ARG 18 -1.119 -5.684 -13.142 108 HA ARG 18 HA ARG 18 -2.857 -7.177 -13.087 109 HB2 ARG 18 1HB ARG 18 -1.410 -7.711 -10.493 110 HB3 ARG 18 2HB ARG 18 -2.690 -8.750 -11.106 111 HG2 ARG 18 1HG ARG 18 -1.380 -9.187 -13.119 112 HG3 ARG 18 2HG ARG 18 -0.097 -8.139 -12.510 113 HD2 ARG 18 1HD ARG 18 -1.101 -10.604 -11.095 114 HD3 ARG 18 2HD ARG 18 0.313 -10.569 -12.148 115 HE ARG 18 HE ARG 18 0.751 -8.601 -10.289 116 HH11 ARG 18 2HH1 ARG 18 0.142 -12.027 -10.204 117 HH12 ARG 18 1HH1 ARG 18 1.048 -12.284 -8.750 118 HH21 ARG 18 2HH2 ARG 18 1.948 -8.926 -8.375 119 HH22 ARG 18 1HH2 ARG 18 2.075 -10.520 -7.710 120 H SER 19 H SER 19 -3.766 -4.670 -12.376 121 HA SER 19 HA SER 19 -5.121 -4.490 -9.937 122 HB2 SER 19 1HB SER 19 -6.368 -2.686 -10.919 123 HB3 SER 19 2HB SER 19 -4.732 -2.614 -11.575 124 HG SER 19 HG SER 19 -5.791 -4.024 -13.315 125 H SER 20 H SER 20 -6.275 -6.262 -9.330 126 HA SER 20 HA SER 20 -8.424 -7.160 -11.130 127 HB2 SER 20 1HB SER 20 -6.856 -8.569 -8.985 128 HB3 SER 20 2HB SER 20 -8.433 -9.175 -9.492 129 HG SER 20 HG SER 20 -7.400 -8.929 -11.717 130 HA PRO 21 HA PRO 21 -11.545 -5.708 -8.410 131 HB2 PRO 21 1HB PRO 21 -13.429 -7.649 -8.640 132 HB3 PRO 21 2HB PRO 21 -13.081 -6.490 -9.929 133 HG2 PRO 21 1HG PRO 21 -12.143 -9.316 -9.619 134 HG3 PRO 21 2HG PRO 21 -12.728 -8.485 -11.071 135 HD2 PRO 21 1HD PRO 21 -10.095 -8.871 -10.576 136 HD3 PRO 21 2HD PRO 21 -10.704 -7.450 -11.448 137 H SER 22 H SER 22 -10.825 -9.170 -8.011 138 HA SER 22 HA SER 22 -11.742 -9.174 -5.276 139 HB2 SER 22 1HB SER 22 -10.216 -11.310 -6.785 140 HB3 SER 22 2HB SER 22 -11.081 -11.519 -5.262 141 HG SER 22 HG SER 22 -12.985 -11.334 -6.299 142 H SER 23 H SER 23 -8.636 -9.250 -6.961 143 HA SER 23 HA SER 23 -7.320 -8.664 -4.390 144 HB2 SER 23 1HB SER 23 -5.416 -9.962 -5.032 145 HB3 SER 23 2HB SER 23 -6.835 -10.968 -5.325 146 HG SER 23 HG SER 23 -6.402 -10.957 -7.383 147 H LEU 24 H LEU 24 -5.269 -7.464 -4.610 148 HA LEU 24 HA LEU 24 -5.000 -5.900 -7.060 149 HB2 LEU 24 1HB LEU 24 -5.718 -4.819 -4.370 150 HB3 LEU 24 2HB LEU 24 -4.733 -3.851 -5.465 151 HG LEU 24 HG LEU 24 -7.388 -4.956 -6.325 152 HD11 LEU 24 1HD1 LEU 24 -8.575 -3.310 -5.327 153 HD12 LEU 24 2HD1 LEU 24 -7.237 -2.163 -5.371 154 HD13 LEU 24 3HD1 LEU 24 -7.278 -3.423 -4.138 155 HD21 LEU 24 1HD2 LEU 24 -7.274 -3.379 -8.029 156 HD22 LEU 24 2HD2 LEU 24 -5.610 -3.948 -7.895 157 HD23 LEU 24 3HD2 LEU 24 -6.075 -2.403 -7.180 158 H SER 25 H SER 25 -2.954 -6.277 -7.598 159 HA SER 25 HA SER 25 -0.926 -6.758 -5.602 160 HB2 SER 25 1HB SER 25 -1.123 -7.896 -7.908 161 HB3 SER 25 2HB SER 25 -0.417 -6.414 -8.552 162 HG SER 25 HG SER 25 0.721 -8.355 -6.880 163 H LEU 26 H LEU 26 0.900 -5.500 -5.210 164 HA LEU 26 HA LEU 26 0.881 -2.780 -6.324 165 HB2 LEU 26 1HB LEU 26 1.393 -3.449 -3.431 166 HB3 LEU 26 2HB LEU 26 1.381 -1.842 -4.155 167 HG LEU 26 HG LEU 26 -1.077 -3.562 -4.171 168 HD11 LEU 26 1HD1 LEU 26 -0.208 -3.379 -1.842 169 HD12 LEU 26 2HD1 LEU 26 -1.783 -2.626 -2.091 170 HD13 LEU 26 3HD1 LEU 26 -0.335 -1.625 -1.987 171 HD21 LEU 26 1HD2 LEU 26 -2.184 -1.372 -4.261 172 HD22 LEU 26 2HD2 LEU 26 -1.069 -1.604 -5.608 173 HD23 LEU 26 3HD2 LEU 26 -0.607 -0.583 -4.245 174 H ALA 27 H ALA 27 2.936 -1.687 -6.245 175 HA ALA 27 HA ALA 27 5.313 -2.991 -5.403 176 HB1 ALA 27 1HB ALA 27 6.075 -2.973 -7.996 177 HB2 ALA 27 2HB ALA 27 5.485 -4.403 -7.146 178 HB3 ALA 27 3HB ALA 27 4.387 -3.461 -8.154 179 H TRP 28 H TRP 28 6.742 -1.441 -4.983 180 HA TRP 28 HA TRP 28 6.464 1.125 -6.403 181 HB2 TRP 28 1HB TRP 28 7.844 1.858 -4.236 182 HB3 TRP 28 2HB TRP 28 6.085 1.773 -4.245 183 HD1 TRP 28 HD TRP 28 8.892 0.737 -2.201 184 HE1 TRP 28 1HE TRP 28 8.245 -1.169 -0.597 185 HE3 TRP 28 3HE TRP 28 4.476 -0.675 -4.356 186 HZ2 TRP 28 2HZ TRP 28 6.142 -3.026 -0.287 187 HZ3 TRP 28 3HZ TRP 28 3.208 -2.525 -3.344 188 HH2 TRP 28 HH TRP 28 4.026 -3.675 -1.352 189 H ALA 29 H ALA 29 8.563 2.418 -6.415 190 HA ALA 29 HA ALA 29 10.674 0.663 -7.423 191 HB1 ALA 29 1HB ALA 29 11.424 2.429 -8.714 192 HB2 ALA 29 2HB ALA 29 9.681 2.700 -8.682 193 HB3 ALA 29 3HB ALA 29 10.739 3.645 -7.635 194 H VAL 30 H VAL 30 12.253 0.112 -6.083 195 HA VAL 30 HA VAL 30 12.753 0.930 -3.555 196 HB VAL 30 HB VAL 30 14.857 0.177 -5.589 197 HG11 VAL 30 1HG1 VAL 30 15.078 -0.131 -2.610 198 HG12 VAL 30 2HG1 VAL 30 16.349 -0.239 -3.829 199 HG13 VAL 30 3HG1 VAL 30 15.628 1.324 -3.440 200 HG21 VAL 30 1HG2 VAL 30 13.635 -1.621 -3.522 201 HG22 VAL 30 2HG2 VAL 30 12.893 -1.406 -5.108 202 HG23 VAL 30 3HG2 VAL 30 14.527 -2.055 -4.980 203 HA PRO 31 HA PRO 31 13.844 5.237 -4.243 204 HB2 PRO 31 1HB PRO 31 13.774 5.911 -1.614 205 HB3 PRO 31 2HB PRO 31 12.318 5.755 -2.605 206 HG2 PRO 31 1HG PRO 31 13.520 3.799 -0.684 207 HG3 PRO 31 2HG PRO 31 11.818 4.244 -0.911 208 HD2 PRO 31 1HD PRO 31 12.883 1.981 -1.948 209 HD3 PRO 31 2HD PRO 31 11.575 2.874 -2.748 210 H ARG 32 H ARG 32 15.451 6.699 -2.904 211 HA ARG 32 HA ARG 32 17.867 5.105 -2.350 212 HB2 ARG 32 1HB ARG 32 19.060 7.267 -3.174 213 HB3 ARG 32 2HB ARG 32 18.423 6.129 -4.353 214 HG2 ARG 32 1HG ARG 32 16.490 7.509 -4.720 215 HG3 ARG 32 2HG ARG 32 16.982 8.603 -3.426 216 HD2 ARG 32 1HD ARG 32 17.631 9.671 -5.417 217 HD3 ARG 32 2HD ARG 32 19.112 8.977 -4.759 218 HE ARG 32 HE ARG 32 19.278 7.727 -6.652 219 HH11 ARG 32 2HH1 ARG 32 15.946 8.643 -6.231 220 HH12 ARG 32 1HH1 ARG 32 15.426 7.934 -7.724 221 HH21 ARG 32 2HH2 ARG 32 18.606 6.789 -8.620 222 HH22 ARG 32 1HH2 ARG 32 16.940 6.878 -9.081 223 H ALA 33 H ALA 33 17.636 5.124 -0.127 224 HA ALA 33 HA ALA 33 17.208 7.598 1.298 225 HB1 ALA 33 1HB ALA 33 17.581 4.742 2.098 226 HB2 ALA 33 2HB ALA 33 17.715 6.027 3.300 227 HB3 ALA 33 3HB ALA 33 16.217 5.820 2.393 228 HA PRO 34 HA PRO 34 21.427 8.781 1.727 229 HB2 PRO 34 1HB PRO 34 21.231 10.275 3.985 230 HB3 PRO 34 2HB PRO 34 20.628 10.822 2.416 231 HG2 PRO 34 1HG PRO 34 19.126 9.609 4.704 232 HG3 PRO 34 2HG PRO 34 18.681 10.984 3.677 233 HD2 PRO 34 1HD PRO 34 17.658 8.504 3.313 234 HD3 PRO 34 2HD PRO 34 17.935 9.630 1.969 235 H SER 35 H SER 35 19.747 7.417 4.523 236 HA SER 35 HA SER 35 21.926 6.962 6.191 237 HB2 SER 35 1HB SER 35 19.358 5.403 5.853 238 HB3 SER 35 2HB SER 35 20.520 5.090 7.142 239 HG SER 35 HG SER 35 18.970 7.409 6.690 240 H GLY 36 H GLY 36 20.463 4.735 3.819 241 HA2 GLY 36 1HA GLY 36 22.868 3.722 2.842 242 HA3 GLY 36 2HA GLY 36 22.380 2.684 4.175 243 H ALA 37 H ALA 37 20.029 1.942 4.047 244 HA ALA 37 HA ALA 37 18.843 1.774 1.442 245 HB1 ALA 37 1HB ALA 37 20.494 0.142 0.995 246 HB2 ALA 37 2HB ALA 37 20.270 -0.622 2.569 247 HB3 ALA 37 3HB ALA 37 19.008 -0.743 1.343 248 H VAL 38 H VAL 38 16.847 0.481 1.456 249 HA VAL 38 HA VAL 38 15.504 0.751 4.017 250 HB VAL 38 HB VAL 38 14.361 -0.109 1.356 251 HG11 VAL 38 1HG1 VAL 38 12.302 -0.124 2.298 252 HG12 VAL 38 2HG1 VAL 38 13.228 -0.495 3.753 253 HG13 VAL 38 3HG1 VAL 38 12.696 1.158 3.443 254 HG21 VAL 38 1HG2 VAL 38 15.025 2.532 2.469 255 HG22 VAL 38 2HG2 VAL 38 14.832 2.022 0.792 256 HG23 VAL 38 3HG2 VAL 38 13.411 2.390 1.771 257 H LEU 39 H LEU 39 14.702 -0.886 5.243 258 HA LEU 39 HA LEU 39 15.674 -3.564 4.627 259 HB2 LEU 39 1HB LEU 39 14.350 -2.468 7.104 260 HB3 LEU 39 2HB LEU 39 15.013 -4.092 6.934 261 HG LEU 39 HG LEU 39 16.754 -1.675 6.584 262 HD11 LEU 39 1HD1 LEU 39 17.358 -1.889 8.968 263 HD12 LEU 39 2HD1 LEU 39 16.024 -3.022 9.180 264 HD13 LEU 39 3HD1 LEU 39 15.697 -1.349 8.726 265 HD21 LEU 39 1HD2 LEU 39 17.247 -4.275 6.128 266 HD22 LEU 39 2HD2 LEU 39 17.676 -4.185 7.836 267 HD23 LEU 39 3HD2 LEU 39 18.477 -3.133 6.668 268 H ASP 40 H ASP 40 12.623 -2.257 5.941 269 HA ASP 40 HA ASP 40 11.167 -4.132 4.209 270 HB2 ASP 40 1HB ASP 40 10.171 -3.580 6.980 271 HB3 ASP 40 2HB ASP 40 9.838 -4.954 5.930 272 H TYR 41 H TYR 41 8.660 -3.560 4.520 273 HA TYR 41 HA TYR 41 8.347 -0.642 4.503 274 HB2 TYR 41 1HB TYR 41 7.072 -2.393 2.405 275 HB3 TYR 41 2HB TYR 41 7.167 -0.636 2.440 276 HD1 TYR 41 1HD TYR 41 9.268 -3.692 2.148 277 HD2 TYR 41 2HD TYR 41 8.917 0.474 1.358 278 HE1 TYR 41 1HE TYR 41 11.318 -3.783 0.792 279 HE2 TYR 41 2HE TYR 41 10.966 0.394 -0.001 280 HH TYR 41 HH TYR 41 13.158 -1.974 0.116 281 H GLU 42 H GLU 42 5.919 -0.086 4.335 282 HA GLU 42 HA GLU 42 4.288 -2.055 5.776 283 HB2 GLU 42 1HB GLU 42 5.420 -0.142 7.207 284 HB3 GLU 42 2HB GLU 42 4.094 0.819 6.566 285 HG2 GLU 42 1HG GLU 42 3.148 0.079 8.494 286 HG3 GLU 42 2HG GLU 42 2.651 -1.211 7.401 287 H VAL 43 H VAL 43 2.462 -2.384 4.712 288 HA VAL 43 HA VAL 43 1.486 -0.313 2.878 289 HB VAL 43 HB VAL 43 0.907 -3.268 3.052 290 HG11 VAL 43 1HG1 VAL 43 -1.068 -2.900 2.103 291 HG12 VAL 43 2HG1 VAL 43 -0.753 -1.166 2.012 292 HG13 VAL 43 3HG1 VAL 43 -0.223 -2.230 0.708 293 HG21 VAL 43 1HG2 VAL 43 2.589 -1.531 1.360 294 HG22 VAL 43 2HG2 VAL 43 2.810 -3.217 1.830 295 HG23 VAL 43 3HG2 VAL 43 1.699 -2.803 0.524 296 H LYS 44 H LYS 44 -0.282 0.824 3.325 297 HA LYS 44 HA LYS 44 -2.145 -0.214 5.358 298 HB2 LYS 44 1HB LYS 44 -0.675 1.704 6.126 299 HB3 LYS 44 2HB LYS 44 -1.504 2.706 4.942 300 HG2 LYS 44 1HG LYS 44 -3.516 2.627 6.093 301 HG3 LYS 44 2HG LYS 44 -3.054 1.183 6.997 302 HD2 LYS 44 1HD LYS 44 -2.772 2.762 8.625 303 HD3 LYS 44 2HD LYS 44 -1.161 2.792 7.904 304 HE2 LYS 44 1HE LYS 44 -1.533 4.805 6.837 305 HE3 LYS 44 2HE LYS 44 -3.285 4.603 6.843 306 HZ1 LYS 44 1HZ LYS 44 -3.293 5.006 9.220 307 HZ2 LYS 44 2HZ LYS 44 -2.573 6.303 8.409 308 HZ3 LYS 44 3HZ LYS 44 -1.610 5.179 9.228 309 H TYR 45 H TYR 45 -3.983 -0.728 4.374 310 HA TYR 45 HA TYR 45 -5.014 1.097 2.302 311 HB2 TYR 45 1HB TYR 45 -6.069 -0.842 1.226 312 HB3 TYR 45 2HB TYR 45 -4.322 -1.037 1.316 313 HD1 TYR 45 2HD TYR 45 -3.427 -2.417 3.331 314 HD2 TYR 45 1HD TYR 45 -7.458 -2.546 1.977 315 HE1 TYR 45 2HE TYR 45 -3.724 -4.591 4.442 316 HE2 TYR 45 1HE TYR 45 -7.767 -4.720 3.085 317 HH TYR 45 HH TYR 45 -5.991 -6.696 3.789 318 H HIS 46 H HIS 46 -6.837 2.076 2.846 319 HA HIS 46 HA HIS 46 -8.720 0.691 4.629 320 HB2 HIS 46 1HB HIS 46 -8.971 2.508 6.043 321 HB3 HIS 46 2HB HIS 46 -7.250 2.591 5.678 322 HD1 HIS 46 1HD HIS 46 -7.052 4.116 3.167 323 HD2 HIS 46 2HD HIS 46 -9.910 5.031 6.041 324 HE1 HIS 46 1HE HIS 46 -7.697 6.508 2.737 325 HE2 HIS 46 2HE HIS 46 -9.364 7.066 4.540 326 H GLU 47 H GLU 47 -10.926 1.282 4.382 327 HA GLU 47 HA GLU 47 -11.657 1.835 1.684 328 HB2 GLU 47 1HB GLU 47 -12.860 0.420 3.564 329 HB3 GLU 47 2HB GLU 47 -13.653 1.952 3.903 330 HG2 GLU 47 1HG GLU 47 -14.207 1.998 1.404 331 HG3 GLU 47 2HG GLU 47 -13.772 0.290 1.417 332 H LYS 48 H LYS 48 -12.986 3.563 0.925 333 HA LYS 48 HA LYS 48 -12.227 6.112 2.050 334 HB2 LYS 48 1HB LYS 48 -12.362 5.519 -0.444 335 HB3 LYS 48 2HB LYS 48 -14.103 5.688 -0.267 336 HG2 LYS 48 1HG LYS 48 -13.361 7.753 -1.079 337 HG3 LYS 48 2HG LYS 48 -13.637 8.010 0.646 338 HD2 LYS 48 1HD LYS 48 -11.315 7.934 1.120 339 HD3 LYS 48 2HD LYS 48 -10.936 7.314 -0.489 340 HE2 LYS 48 1HE LYS 48 -10.347 9.587 -0.554 341 HE3 LYS 48 2HE LYS 48 -11.901 9.494 -1.381 342 HZ1 LYS 48 1HZ LYS 48 -12.799 10.855 0.101 343 HZ2 LYS 48 2HZ LYS 48 -11.255 11.123 0.736 344 HZ3 LYS 48 3HZ LYS 48 -12.248 9.928 1.405 345 H GLY 49 H GLY 49 -13.856 4.647 3.800 346 HA2 GLY 49 1HA GLY 49 -15.725 6.548 4.591 347 HA3 GLY 49 2HA GLY 49 -16.593 5.364 3.626 348 H ALA 50 H ALA 50 -13.853 4.696 5.737 349 HA ALA 50 HA ALA 50 -15.224 2.562 7.024 350 HB1 ALA 50 1HB ALA 50 -12.884 2.340 6.800 351 HB2 ALA 50 2HB ALA 50 -12.587 3.907 7.555 352 HB3 ALA 50 3HB ALA 50 -13.187 2.560 8.524 353 H GLU 51 H GLU 51 -15.023 2.495 9.567 354 HA GLU 51 HA GLU 51 -16.804 4.535 10.527 355 HB2 GLU 51 1HB GLU 51 -15.620 2.037 11.682 356 HB3 GLU 51 2HB GLU 51 -16.395 3.204 12.743 357 HG2 GLU 51 1HG GLU 51 -17.789 2.124 10.323 358 HG3 GLU 51 2HG GLU 51 -17.795 1.261 11.859 359 H GLY 52 H GLY 52 -13.591 3.393 11.593 360 HA2 GLY 52 1HA GLY 52 -12.890 6.154 12.263 361 HA3 GLY 52 2HA GLY 52 -12.855 4.975 13.566 362 HA PRO 53 HA PRO 53 -8.637 5.082 11.689 363 HB2 PRO 53 1HB PRO 53 -7.334 5.007 14.069 364 HB3 PRO 53 2HB PRO 53 -7.895 6.511 13.329 365 HG2 PRO 53 1HG PRO 53 -9.157 4.882 15.501 366 HG3 PRO 53 2HG PRO 53 -8.976 6.642 15.384 367 HD2 PRO 53 1HD PRO 53 -11.295 5.373 14.796 368 HD3 PRO 53 2HD PRO 53 -10.784 6.860 13.971 369 H SER 54 H SER 54 -10.145 3.075 14.140 370 HA SER 54 HA SER 54 -8.198 0.950 13.824 371 HB2 SER 54 1HB SER 54 -9.423 1.566 16.005 372 HB3 SER 54 2HB SER 54 -10.810 0.728 15.311 373 HG SER 54 HG SER 54 -8.316 -0.552 15.343 374 H SER 55 H SER 55 -9.722 1.769 11.490 375 HA SER 55 HA SER 55 -11.275 -0.683 10.983 376 HB2 SER 55 1HB SER 55 -12.437 1.594 10.807 377 HB3 SER 55 2HB SER 55 -11.461 1.855 9.362 378 HG SER 55 HG SER 55 -12.513 0.258 8.339 379 H VAL 56 H VAL 56 -8.640 1.326 9.930 380 HA VAL 56 HA VAL 56 -8.268 0.070 7.389 381 HB VAL 56 HB VAL 56 -7.429 2.325 7.787 382 HG11 VAL 56 1HG1 VAL 56 -6.795 2.434 10.016 383 HG12 VAL 56 2HG1 VAL 56 -5.830 0.960 9.918 384 HG13 VAL 56 3HG1 VAL 56 -5.247 2.449 9.172 385 HG21 VAL 56 1HG2 VAL 56 -6.290 0.603 6.227 386 HG22 VAL 56 2HG2 VAL 56 -5.456 2.116 6.583 387 HG23 VAL 56 3HG2 VAL 56 -4.987 0.634 7.416 388 H ARG 57 H ARG 57 -6.548 -1.326 6.774 389 HA ARG 57 HA ARG 57 -5.685 -3.099 8.954 390 HB2 ARG 57 1HB ARG 57 -6.298 -3.539 6.058 391 HB3 ARG 57 2HB ARG 57 -5.173 -4.620 6.870 392 HG2 ARG 57 1HG ARG 57 -7.441 -5.514 6.860 393 HG3 ARG 57 2HG ARG 57 -6.873 -5.201 8.502 394 HD2 ARG 57 1HD ARG 57 -8.227 -3.305 8.730 395 HD3 ARG 57 2HD ARG 57 -8.485 -3.172 6.991 396 HE ARG 57 HE ARG 57 -9.910 -4.878 8.843 397 HH11 ARG 57 2HH1 ARG 57 -9.130 -4.192 5.520 398 HH12 ARG 57 1HH1 ARG 57 -10.514 -5.021 4.888 399 HH21 ARG 57 2HH2 ARG 57 -11.736 -5.973 8.023 400 HH22 ARG 57 1HH2 ARG 57 -11.996 -6.033 6.312 401 H PHE 58 H PHE 58 -3.540 -4.118 8.706 402 HA PHE 58 HA PHE 58 -1.617 -2.380 7.315 403 HB2 PHE 58 1HB PHE 58 -1.664 -3.221 10.182 404 HB3 PHE 58 2HB PHE 58 -0.106 -3.038 9.383 405 HD1 PHE 58 2HD PHE 58 -3.244 -1.254 10.208 406 HD2 PHE 58 1HD PHE 58 0.844 -0.925 9.070 407 HE1 PHE 58 2HE PHE 58 -3.332 1.173 10.603 408 HE2 PHE 58 1HE PHE 58 0.762 1.502 9.464 409 HZ PHE 58 HZ PHE 58 -1.328 2.554 10.230 410 H LEU 59 H LEU 59 -0.079 -3.408 6.177 411 HA LEU 59 HA LEU 59 0.209 -6.314 6.565 412 HB2 LEU 59 1HB LEU 59 -1.008 -6.109 4.570 413 HB3 LEU 59 2HB LEU 59 -0.054 -4.729 4.032 414 HG LEU 59 HG LEU 59 1.890 -6.497 3.982 415 HD11 LEU 59 1HD1 LEU 59 -0.582 -8.202 3.731 416 HD12 LEU 59 2HD1 LEU 59 0.679 -8.334 4.956 417 HD13 LEU 59 3HD1 LEU 59 1.044 -8.709 3.272 418 HD21 LEU 59 1HD2 LEU 59 1.563 -6.715 1.673 419 HD22 LEU 59 2HD2 LEU 59 0.767 -5.198 2.093 420 HD23 LEU 59 3HD2 LEU 59 -0.193 -6.654 1.826 421 H LYS 60 H LYS 60 2.180 -6.763 7.266 422 HA LYS 60 HA LYS 60 4.386 -4.945 6.702 423 HB2 LYS 60 1HB LYS 60 4.032 -7.279 8.568 424 HB3 LYS 60 2HB LYS 60 5.617 -6.581 8.263 425 HG2 LYS 60 1HG LYS 60 5.120 -4.626 9.353 426 HG3 LYS 60 2HG LYS 60 3.384 -4.789 9.082 427 HD2 LYS 60 1HD LYS 60 3.322 -6.641 10.698 428 HD3 LYS 60 2HD LYS 60 5.052 -6.438 10.983 429 HE2 LYS 60 1HE LYS 60 4.731 -4.295 11.944 430 HE3 LYS 60 2HE LYS 60 3.058 -4.222 11.392 431 HZ1 LYS 60 1HZ LYS 60 4.031 -6.241 13.331 432 HZ2 LYS 60 2HZ LYS 60 2.428 -5.864 12.948 433 HZ3 LYS 60 3HZ LYS 60 3.376 -4.753 13.801 434 H THR 61 H THR 61 5.732 -5.267 5.069 435 HA THR 61 HA THR 61 6.252 -8.019 4.172 436 HB THR 61 HB THR 61 4.659 -6.993 2.598 437 HG1 THR 61 1HG THR 61 5.713 -7.928 1.007 438 HG21 THR 61 1HG2 THR 61 5.515 -4.635 3.020 439 HG22 THR 61 2HG2 THR 61 5.149 -5.048 1.345 440 HG23 THR 61 3HG2 THR 61 6.822 -5.019 1.900 441 H SER 62 H SER 62 8.304 -8.389 3.270 442 HA SER 62 HA SER 62 10.283 -6.324 3.954 443 HB2 SER 62 1HB SER 62 11.826 -8.014 4.430 444 HB3 SER 62 2HB SER 62 10.309 -8.707 5.002 445 HG SER 62 HG SER 62 10.332 -9.489 2.603 446 H GLU 63 H GLU 63 8.772 -6.327 1.481 447 HA GLU 63 HA GLU 63 11.029 -6.301 -0.362 448 HB2 GLU 63 1HB GLU 63 8.454 -7.753 -0.995 449 HB3 GLU 63 2HB GLU 63 9.797 -7.508 -2.102 450 HG2 GLU 63 1HG GLU 63 9.876 -9.110 0.444 451 HG3 GLU 63 2HG GLU 63 9.797 -9.760 -1.192 452 H ASN 64 H ASN 64 10.142 -5.454 -2.602 453 HA ASN 64 HA ASN 64 8.670 -3.009 -1.969 454 HB2 ASN 64 1HB ASN 64 9.662 -2.033 -3.862 455 HB3 ASN 64 2HB ASN 64 10.935 -3.053 -3.197 456 HD21 ASN 64 1HD2 ASN 64 10.970 -2.186 -5.810 457 HD22 ASN 64 2HD2 ASN 64 10.746 -3.539 -6.861 458 H ARG 65 H ARG 65 7.439 -5.713 -2.371 459 HA ARG 65 HA ARG 65 5.320 -4.828 -4.140 460 HB2 ARG 65 1HB ARG 65 5.338 -6.950 -5.436 461 HB3 ARG 65 2HB ARG 65 6.749 -5.942 -5.729 462 HG2 ARG 65 1HG ARG 65 7.769 -7.451 -3.809 463 HG3 ARG 65 2HG ARG 65 6.539 -8.577 -4.388 464 HD2 ARG 65 1HD ARG 65 8.429 -7.198 -6.269 465 HD3 ARG 65 2HD ARG 65 8.872 -8.693 -5.446 466 HE ARG 65 HE ARG 65 6.405 -9.122 -6.643 467 HH11 ARG 65 2HH1 ARG 65 9.667 -8.395 -7.618 468 HH12 ARG 65 1HH1 ARG 65 9.529 -9.203 -9.144 469 HH21 ARG 65 2HH2 ARG 65 6.211 -10.189 -8.649 470 HH22 ARG 65 1HH2 ARG 65 7.563 -10.223 -9.730 471 H ALA 66 H ALA 66 3.376 -5.480 -3.428 472 HA ALA 66 HA ALA 66 3.262 -7.728 -1.534 473 HB1 ALA 66 1HB ALA 66 3.113 -5.966 -0.046 474 HB2 ALA 66 2HB ALA 66 2.215 -4.951 -1.175 475 HB3 ALA 66 3HB ALA 66 1.417 -6.311 -0.386 476 H GLU 67 H GLU 67 0.964 -8.483 -1.193 477 HA GLU 67 HA GLU 67 -0.701 -8.088 -3.578 478 HB2 GLU 67 1HB GLU 67 0.668 -10.152 -3.852 479 HB3 GLU 67 2HB GLU 67 -0.067 -10.794 -2.390 480 HG2 GLU 67 1HG GLU 67 -2.141 -11.055 -3.391 481 HG3 GLU 67 2HG GLU 67 -1.770 -9.916 -4.684 482 H LEU 68 H LEU 68 -2.738 -7.653 -3.062 483 HA LEU 68 HA LEU 68 -3.680 -8.370 -0.367 484 HB2 LEU 68 1HB LEU 68 -4.796 -6.223 -2.154 485 HB3 LEU 68 2HB LEU 68 -5.138 -6.487 -0.446 486 HG LEU 68 HG LEU 68 -2.499 -5.562 -1.579 487 HD11 LEU 68 1HD1 LEU 68 -3.045 -3.411 -0.620 488 HD12 LEU 68 2HD1 LEU 68 -4.590 -4.031 -0.040 489 HD13 LEU 68 3HD1 LEU 68 -4.291 -3.888 -1.772 490 HD21 LEU 68 1HD2 LEU 68 -2.925 -5.114 1.233 491 HD22 LEU 68 2HD2 LEU 68 -1.598 -5.940 0.415 492 HD23 LEU 68 3HD2 LEU 68 -3.059 -6.830 0.845 493 H ARG 69 H ARG 69 -4.727 -10.267 -0.585 494 HA ARG 69 HA ARG 69 -6.585 -10.619 -2.822 495 HB2 ARG 69 1HB ARG 69 -5.303 -12.511 -0.870 496 HB3 ARG 69 2HB ARG 69 -6.710 -12.997 -1.806 497 HG2 ARG 69 1HG ARG 69 -5.521 -12.639 -3.869 498 HG3 ARG 69 2HG ARG 69 -4.131 -11.997 -2.992 499 HD2 ARG 69 1HD ARG 69 -3.825 -14.343 -3.705 500 HD3 ARG 69 2HD ARG 69 -3.740 -14.138 -1.956 501 HE ARG 69 HE ARG 69 -6.356 -14.846 -2.908 502 HH11 ARG 69 2HH1 ARG 69 -3.253 -16.058 -1.899 503 HH12 ARG 69 1HH1 ARG 69 -3.863 -17.615 -1.445 504 HH21 ARG 69 2HH2 ARG 69 -7.171 -16.892 -2.315 505 HH22 ARG 69 1HH2 ARG 69 -6.092 -18.089 -1.683 506 H GLY 70 H GLY 70 -8.764 -10.987 -2.546 507 HA2 GLY 70 1HA GLY 70 -10.783 -11.215 -1.412 508 HA3 GLY 70 2HA GLY 70 -9.900 -11.202 0.107 509 H LEU 71 H LEU 71 -10.986 -9.102 -2.535 510 HA LEU 71 HA LEU 71 -11.438 -6.987 -0.550 511 HB2 LEU 71 1HB LEU 71 -10.271 -6.489 -3.282 512 HB3 LEU 71 2HB LEU 71 -10.554 -5.300 -2.012 513 HG LEU 71 HG LEU 71 -8.691 -7.558 -1.457 514 HD11 LEU 71 1HD1 LEU 71 -6.845 -6.114 -2.382 515 HD12 LEU 71 2HD1 LEU 71 -8.094 -5.203 -3.230 516 HD13 LEU 71 3HD1 LEU 71 -7.863 -6.916 -3.578 517 HD21 LEU 71 1HD2 LEU 71 -9.417 -5.005 -0.318 518 HD22 LEU 71 2HD2 LEU 71 -7.677 -5.114 -0.590 519 HD23 LEU 71 3HD2 LEU 71 -8.495 -6.333 0.388 520 H LYS 72 H LYS 72 -12.650 -5.089 -1.815 521 HA LYS 72 HA LYS 72 -14.818 -6.363 -3.354 522 HB2 LYS 72 1HB LYS 72 -15.003 -4.082 -1.378 523 HB3 LYS 72 2HB LYS 72 -16.336 -4.667 -2.365 524 HG2 LYS 72 1HG LYS 72 -15.933 -6.932 -1.266 525 HG3 LYS 72 2HG LYS 72 -14.936 -6.052 -0.104 526 HD2 LYS 72 1HD LYS 72 -17.011 -6.084 0.931 527 HD3 LYS 72 2HD LYS 72 -17.008 -4.511 0.131 528 HE2 LYS 72 1HE LYS 72 -19.095 -5.361 -0.414 529 HE3 LYS 72 2HE LYS 72 -18.127 -5.770 -1.829 530 HZ1 LYS 72 1HZ LYS 72 -18.299 -7.728 0.341 531 HZ2 LYS 72 2HZ LYS 72 -18.151 -7.976 -1.326 532 HZ3 LYS 72 3HZ LYS 72 -19.646 -7.539 -0.665 533 H ARG 73 H ARG 73 -14.353 -5.821 -5.413 534 HA ARG 73 HA ARG 73 -13.048 -3.576 -6.345 535 HB2 ARG 73 1HB ARG 73 -14.046 -4.049 -8.518 536 HB3 ARG 73 2HB ARG 73 -13.555 -5.543 -7.730 537 HG2 ARG 73 1HG ARG 73 -15.814 -6.066 -7.158 538 HG3 ARG 73 2HG ARG 73 -16.370 -4.483 -7.705 539 HD2 ARG 73 1HD ARG 73 -15.656 -5.051 -9.993 540 HD3 ARG 73 2HD ARG 73 -15.169 -6.648 -9.427 541 HE ARG 73 HE ARG 73 -17.877 -6.138 -8.774 542 HH11 ARG 73 2HH1 ARG 73 -15.797 -6.936 -11.448 543 HH12 ARG 73 1HH1 ARG 73 -17.040 -7.746 -12.343 544 HH21 ARG 73 2HH2 ARG 73 -19.522 -7.202 -9.942 545 HH22 ARG 73 1HH2 ARG 73 -19.159 -7.896 -11.485 546 H GLY 74 H GLY 74 -13.881 -1.705 -7.526 547 HA2 GLY 74 1HA GLY 74 -15.390 0.026 -7.902 548 HA3 GLY 74 2HA GLY 74 -16.599 -0.864 -6.989 549 H ALA 75 H ALA 75 -15.455 -1.208 -4.562 550 HA ALA 75 HA ALA 75 -15.870 1.250 -3.297 551 HB1 ALA 75 1HB ALA 75 -14.509 -1.253 -2.323 552 HB2 ALA 75 2HB ALA 75 -14.878 0.128 -1.291 553 HB3 ALA 75 3HB ALA 75 -16.185 -0.766 -2.067 554 H SER 76 H SER 76 -14.642 3.004 -3.311 555 HA SER 76 HA SER 76 -12.057 3.164 -4.332 556 HB2 SER 76 1HB SER 76 -13.653 4.983 -2.540 557 HB3 SER 76 2HB SER 76 -12.004 5.389 -3.018 558 HG SER 76 HG SER 76 -12.753 5.979 -4.879 559 H TYR 77 H TYR 77 -10.225 2.374 -3.563 560 HA TYR 77 HA TYR 77 -9.885 2.188 -0.641 561 HB2 TYR 77 1HB TYR 77 -9.081 0.326 -2.851 562 HB3 TYR 77 2HB TYR 77 -8.162 0.353 -1.350 563 HD1 TYR 77 1HD TYR 77 -9.501 0.024 0.838 564 HD2 TYR 77 2HD TYR 77 -11.004 -0.978 -3.015 565 HE1 TYR 77 1HE TYR 77 -11.146 -1.481 1.877 566 HE2 TYR 77 2HE TYR 77 -12.653 -2.484 -1.986 567 HH TYR 77 HH TYR 77 -13.263 -3.519 -0.078 568 H LEU 78 H LEU 78 -8.426 3.545 0.135 569 HA LEU 78 HA LEU 78 -6.409 4.673 -1.652 570 HB2 LEU 78 1HB LEU 78 -7.450 5.443 1.055 571 HB3 LEU 78 2HB LEU 78 -5.981 6.156 0.392 572 HG LEU 78 HG LEU 78 -8.188 7.447 0.152 573 HD11 LEU 78 1HD1 LEU 78 -7.430 8.472 -1.816 574 HD12 LEU 78 2HD1 LEU 78 -6.707 6.981 -2.418 575 HD13 LEU 78 3HD1 LEU 78 -5.979 7.826 -1.052 576 HD21 LEU 78 1HD2 LEU 78 -9.483 6.863 -1.859 577 HD22 LEU 78 2HD2 LEU 78 -9.582 5.621 -0.610 578 HD23 LEU 78 3HD2 LEU 78 -8.542 5.379 -2.014 579 H VAL 79 H VAL 79 -4.769 3.223 -1.817 580 HA VAL 79 HA VAL 79 -3.693 1.961 0.577 581 HB VAL 79 HB VAL 79 -2.868 1.678 -2.316 582 HG11 VAL 79 1HG1 VAL 79 -0.959 1.039 -1.215 583 HG12 VAL 79 2HG1 VAL 79 -1.836 0.495 0.217 584 HG13 VAL 79 3HG1 VAL 79 -1.840 -0.488 -1.248 585 HG21 VAL 79 1HG2 VAL 79 -5.176 0.842 -1.509 586 HG22 VAL 79 2HG2 VAL 79 -4.149 -0.257 -2.430 587 HG23 VAL 79 3HG2 VAL 79 -4.254 -0.410 -0.676 588 H GLN 80 H GLN 80 -1.797 2.471 1.532 589 HA GLN 80 HA GLN 80 -0.107 4.509 0.253 590 HB2 GLN 80 1HB GLN 80 -1.248 4.499 3.028 591 HB3 GLN 80 2HB GLN 80 0.273 5.317 2.697 592 HG2 GLN 80 1HG GLN 80 -1.101 6.441 0.775 593 HG3 GLN 80 2HG GLN 80 -2.477 5.980 1.777 594 HE21 GLN 80 1HE2 GLN 80 -1.806 8.623 1.194 595 HE22 GLN 80 2HE2 GLN 80 -1.330 9.407 2.658 596 H VAL 81 H VAL 81 1.875 3.752 -0.022 597 HA VAL 81 HA VAL 81 2.859 1.658 1.795 598 HB VAL 81 HB VAL 81 3.923 2.363 -0.942 599 HG11 VAL 81 1HG1 VAL 81 4.434 0.027 0.896 600 HG12 VAL 81 2HG1 VAL 81 5.019 0.152 -0.764 601 HG13 VAL 81 3HG1 VAL 81 5.576 1.298 0.457 602 HG21 VAL 81 1HG2 VAL 81 2.776 0.350 -1.732 603 HG22 VAL 81 2HG2 VAL 81 2.057 0.131 -0.137 604 HG23 VAL 81 3HG2 VAL 81 1.632 1.539 -1.110 605 H ARG 82 H ARG 82 4.695 1.934 2.948 606 HA ARG 82 HA ARG 82 6.284 4.360 2.468 607 HB2 ARG 82 1HB ARG 82 6.429 4.776 4.863 608 HB3 ARG 82 2HB ARG 82 4.748 4.778 4.345 609 HG2 ARG 82 1HG ARG 82 4.387 2.607 5.271 610 HG3 ARG 82 2HG ARG 82 6.108 2.410 5.607 611 HD2 ARG 82 1HD ARG 82 5.916 4.437 7.104 612 HD3 ARG 82 2HD ARG 82 4.168 4.304 6.914 613 HE ARG 82 HE ARG 82 5.327 1.845 7.762 614 HH11 ARG 82 2HH1 ARG 82 4.316 4.986 8.872 615 HH12 ARG 82 1HH1 ARG 82 4.025 4.462 10.498 616 HH21 ARG 82 2HH2 ARG 82 4.948 1.143 9.899 617 HH22 ARG 82 1HH2 ARG 82 4.386 2.276 11.081 618 H ALA 83 H ALA 83 8.447 4.276 3.440 619 HA ALA 83 HA ALA 83 9.466 1.513 3.493 620 HB1 ALA 83 1HB ALA 83 11.342 2.167 2.372 621 HB2 ALA 83 2HB ALA 83 10.191 3.335 1.721 622 HB3 ALA 83 3HB ALA 83 11.291 3.808 3.016 623 H ARG 84 H ARG 84 10.994 0.912 5.042 624 HA ARG 84 HA ARG 84 11.473 2.819 7.225 625 HB2 ARG 84 1HB ARG 84 9.666 1.498 8.041 626 HB3 ARG 84 2HB ARG 84 10.405 0.010 7.465 627 HG2 ARG 84 1HG ARG 84 11.893 1.627 9.461 628 HG3 ARG 84 2HG ARG 84 10.485 0.711 10.003 629 HD2 ARG 84 1HD ARG 84 11.543 -1.281 8.803 630 HD3 ARG 84 2HD ARG 84 13.012 -0.309 8.741 631 HE ARG 84 HE ARG 84 12.214 -0.264 11.369 632 HH11 ARG 84 2HH1 ARG 84 13.070 -2.709 9.043 633 HH12 ARG 84 1HH1 ARG 84 13.689 -3.808 10.231 634 HH21 ARG 84 2HH2 ARG 84 13.025 -1.703 12.943 635 HH22 ARG 84 1HH2 ARG 84 13.662 -3.235 12.449 636 H SER 85 H SER 85 13.552 2.952 7.735 637 HA SER 85 HA SER 85 15.333 0.754 6.917 638 HB2 SER 85 1HB SER 85 15.642 3.055 5.867 639 HB3 SER 85 2HB SER 85 16.174 3.603 7.457 640 HG SER 85 HG SER 85 18.047 2.909 6.797 641 H GLU 86 H GLU 86 17.533 1.060 8.293 642 HA GLU 86 HA GLU 86 17.191 -0.076 10.724 643 HB2 GLU 86 1HB GLU 86 19.338 1.814 9.786 644 HB3 GLU 86 2HB GLU 86 19.406 1.050 11.367 645 HG2 GLU 86 1HG GLU 86 19.009 -0.646 8.953 646 HG3 GLU 86 2HG GLU 86 20.614 -0.012 9.311 647 H ALA 87 H ALA 87 17.565 3.430 10.206 648 HA ALA 87 HA ALA 87 17.314 4.313 12.798 649 HB1 ALA 87 1HB ALA 87 17.058 5.462 10.171 650 HB2 ALA 87 2HB ALA 87 15.890 6.177 11.284 651 HB3 ALA 87 3HB ALA 87 17.610 6.205 11.673 652 H GLY 88 H GLY 88 14.612 4.136 10.462 653 HA2 GLY 88 1HA GLY 88 12.795 2.833 12.102 654 HA3 GLY 88 2HA GLY 88 12.623 4.547 12.448 655 H TYR 89 H TYR 89 10.395 3.803 11.614 656 HA TYR 89 HA TYR 89 10.086 3.427 8.805 657 HB2 TYR 89 1HB TYR 89 8.133 4.133 10.996 658 HB3 TYR 89 2HB TYR 89 7.649 3.905 9.319 659 HD1 TYR 89 1HD TYR 89 9.275 2.184 12.185 660 HD2 TYR 89 2HD TYR 89 7.212 1.757 8.488 661 HE1 TYR 89 1HE TYR 89 9.088 -0.237 12.576 662 HE2 TYR 89 2HE TYR 89 7.018 -0.664 8.869 663 HH TYR 89 HH TYR 89 8.505 -2.205 11.691 664 H GLY 90 H GLY 90 9.315 4.872 7.248 665 HA2 GLY 90 1HA GLY 90 9.812 7.700 7.911 666 HA3 GLY 90 2HA GLY 90 9.964 6.996 6.309 667 HA PRO 91 HA PRO 91 5.775 9.088 6.919 668 HB2 PRO 91 1HB PRO 91 6.130 11.071 5.100 669 HB3 PRO 91 2HB PRO 91 6.571 11.240 6.803 670 HG2 PRO 91 1HG PRO 91 8.310 10.609 4.450 671 HG3 PRO 91 2HG PRO 91 8.618 11.709 5.806 672 HD2 PRO 91 1HD PRO 91 9.679 9.221 5.679 673 HD3 PRO 91 2HD PRO 91 9.247 9.997 7.216 674 H PHE 92 H PHE 92 4.045 8.898 5.489 675 HA PHE 92 HA PHE 92 4.372 7.007 3.387 676 HB2 PHE 92 1HB PHE 92 2.049 8.604 4.429 677 HB3 PHE 92 2HB PHE 92 1.893 7.647 2.960 678 HD1 PHE 92 1HD PHE 92 2.869 5.160 3.244 679 HD2 PHE 92 2HD PHE 92 1.374 7.621 6.379 680 HE1 PHE 92 1HE PHE 92 2.417 3.156 4.597 681 HE2 PHE 92 2HE PHE 92 0.921 5.620 7.738 682 HZ PHE 92 HZ PHE 92 1.444 3.384 6.848 683 H GLY 93 H GLY 93 3.871 7.289 1.150 684 HA2 GLY 93 1HA GLY 93 4.742 9.902 0.164 685 HA3 GLY 93 2HA GLY 93 4.677 8.412 -0.766 686 H GLN 94 H GLN 94 3.726 10.648 -1.927 687 HA GLN 94 HA GLN 94 1.219 11.569 -1.627 688 HB2 GLN 94 1HB GLN 94 2.794 10.859 -4.054 689 HB3 GLN 94 2HB GLN 94 1.101 11.283 -4.266 690 HG2 GLN 94 1HG GLN 94 1.415 13.453 -3.525 691 HG3 GLN 94 2HG GLN 94 2.916 13.055 -2.690 692 HE21 GLN 94 1HE2 GLN 94 3.250 15.163 -4.051 693 HE22 GLN 94 2HE2 GLN 94 4.012 14.909 -5.581 694 H GLU 95 H GLU 95 -0.650 10.623 -1.187 695 HA GLU 95 HA GLU 95 -1.264 7.977 -1.186 696 HB2 GLU 95 1HB GLU 95 -3.575 8.570 -1.085 697 HB3 GLU 95 2HB GLU 95 -2.674 9.846 -0.278 698 HG2 GLU 95 1HG GLU 95 -2.810 11.189 -2.355 699 HG3 GLU 95 2HG GLU 95 -3.831 9.934 -3.054 700 H HIS 96 H HIS 96 -2.401 6.551 -2.564 701 HA HIS 96 HA HIS 96 -2.312 7.279 -5.418 702 HB2 HIS 96 1HB HIS 96 -0.579 5.553 -4.435 703 HB3 HIS 96 2HB HIS 96 -1.940 4.441 -4.545 704 HD1 HIS 96 1HD HIS 96 -0.143 6.889 -6.846 705 HD2 HIS 96 2HD HIS 96 -2.086 3.218 -6.947 706 HE1 HIS 96 1HE HIS 96 0.092 6.069 -9.211 707 HE2 HIS 96 2HE HIS 96 -1.164 3.887 -9.269 708 H HIS 97 H HIS 97 -3.748 5.894 -6.783 709 HA HIS 97 HA HIS 97 -6.188 5.133 -5.317 710 HB2 HIS 97 1HB HIS 97 -6.094 6.419 -8.052 711 HB3 HIS 97 2HB HIS 97 -7.536 6.023 -7.122 712 HD1 HIS 97 1HD HIS 97 -5.533 8.812 -7.956 713 HD2 HIS 97 2HD HIS 97 -7.403 7.535 -4.472 714 HE1 HIS 97 1HE HIS 97 -5.724 10.858 -6.506 715 HE2 HIS 97 2HE HIS 97 -6.781 10.044 -4.370 716 H SER 98 H SER 98 -6.430 3.006 -5.446 717 HA SER 98 HA SER 98 -5.316 1.507 -7.658 718 HB2 SER 98 1HB SER 98 -6.651 0.761 -5.068 719 HB3 SER 98 2HB SER 98 -6.382 -0.447 -6.325 720 HG SER 98 HG SER 98 -4.684 0.141 -4.549 721 H GLN 99 H GLN 99 -6.405 1.340 -9.496 722 HA GLN 99 HA GLN 99 -9.270 1.673 -9.586 723 HB2 GLN 99 1HB GLN 99 -7.400 2.391 -11.323 724 HB3 GLN 99 2HB GLN 99 -7.707 0.783 -11.965 725 HG2 GLN 99 1HG GLN 99 -9.210 1.932 -13.197 726 HG3 GLN 99 2HG GLN 99 -10.220 1.610 -11.789 727 HE21 GLN 99 1HE2 GLN 99 -8.934 3.476 -10.059 728 HE22 GLN 99 2HE2 GLN 99 -9.376 5.059 -10.590 729 H THR 100 H THR 100 -10.789 0.132 -9.879 730 HA THR 100 HA THR 100 -9.878 -2.641 -10.268 731 HB THR 100 HB THR 100 -11.745 -3.352 -8.732 732 HG1 THR 100 1HG THR 100 -11.662 -0.784 -7.595 733 HG21 THR 100 1HG2 THR 100 -9.869 -3.652 -7.526 734 HG22 THR 100 2HG2 THR 100 -10.372 -2.195 -6.670 735 HG23 THR 100 3HG2 THR 100 -9.208 -2.085 -7.989 736 H GLN 101 H GLN 101 -12.981 -0.904 -9.958 737 HA GLN 101 HA GLN 101 -13.741 -1.971 -12.593 738 HB2 GLN 101 1HB GLN 101 -14.798 -3.202 -10.643 739 HB3 GLN 101 2HB GLN 101 -15.653 -1.710 -10.275 740 HG2 GLN 101 1HG GLN 101 -16.436 -1.848 -12.741 741 HG3 GLN 101 2HG GLN 101 -15.968 -3.543 -12.609 742 HE21 GLN 101 1HE2 GLN 101 -18.591 -2.575 -13.066 743 HE22 GLN 101 2HE2 GLN 101 -19.569 -3.053 -11.725 744 H LEU 102 H LEU 102 -12.740 0.399 -12.741 745 HA LEU 102 HA LEU 102 -15.055 2.170 -13.028 746 HB2 LEU 102 1HB LEU 102 -12.463 2.849 -11.661 747 HB3 LEU 102 2HB LEU 102 -13.572 4.075 -12.271 748 HG LEU 102 HG LEU 102 -14.119 2.076 -10.079 749 HD11 LEU 102 1HD1 LEU 102 -14.147 5.063 -9.858 750 HD12 LEU 102 2HD1 LEU 102 -12.652 4.147 -9.672 751 HD13 LEU 102 3HD1 LEU 102 -14.007 3.852 -8.583 752 HD21 LEU 102 1HD2 LEU 102 -16.158 2.353 -11.256 753 HD22 LEU 102 2HD2 LEU 102 -15.905 4.090 -11.427 754 HD23 LEU 102 3HD2 LEU 102 -16.248 3.400 -9.840 755 H ASP 103 H ASP 103 -15.168 2.491 -15.150 756 HA ASP 103 HA ASP 103 -12.806 2.467 -16.812 757 HB2 ASP 103 1HB ASP 103 -15.230 1.599 -17.352 758 HB3 ASP 103 2HB ASP 103 -15.505 3.273 -17.825 759 H SER 104 H SER 104 -11.547 4.228 -16.584 760 HA SER 104 HA SER 104 -12.650 6.782 -17.423 761 HB2 SER 104 1HB SER 104 -11.669 7.992 -15.497 762 HB3 SER 104 2HB SER 104 -12.940 6.874 -15.000 763 HG SER 104 HG SER 104 -10.845 6.893 -13.789 764 H GLY 105 H GLY 105 -11.060 8.280 -18.132 765 HA2 GLY 105 1HA GLY 105 -8.344 7.157 -18.397 766 HA3 GLY 105 2HA GLY 105 -9.186 7.821 -19.790 767 HA PRO 106 HA PRO 106 -8.034 11.448 -16.752 768 HB2 PRO 106 1HB PRO 106 -5.944 10.899 -15.109 769 HB3 PRO 106 2HB PRO 106 -7.628 10.635 -14.642 770 HG2 PRO 106 1HG PRO 106 -5.610 8.665 -15.647 771 HG3 PRO 106 2HG PRO 106 -6.779 8.493 -14.325 772 HD2 PRO 106 1HD PRO 106 -7.195 7.436 -16.783 773 HD3 PRO 106 2HD PRO 106 -8.521 8.021 -15.758 774 H SER 107 H SER 107 -5.996 12.832 -16.613 775 HA SER 107 HA SER 107 -3.721 12.052 -18.159 776 HB2 SER 107 1HB SER 107 -5.103 12.408 -20.066 777 HB3 SER 107 2HB SER 107 -5.781 13.888 -19.387 778 HG SER 107 HG SER 107 -4.219 14.899 -20.338 779 H SER 108 H SER 108 -2.371 14.134 -18.677 780 HA SER 108 HA SER 108 -2.753 16.430 -17.063 781 HB2 SER 108 1HB SER 108 -0.943 16.072 -15.436 782 HB3 SER 108 2HB SER 108 -2.215 14.866 -15.244 783 HG SER 108 HG SER 108 0.207 14.267 -15.392 784 H GLY 109 H GLY 109 -0.734 17.813 -17.017 785 HA2 GLY 109 1HA GLY 109 0.266 18.113 -19.620 786 HA3 GLY 109 2HA GLY 109 0.913 18.900 -18.188 Start of MODEL 14 1 H1 GLY 1 H GLY 1 17.579 21.264 4.021 2 HA2 GLY 1 1HA GLY 1 18.478 20.959 6.165 3 HA3 GLY 1 2HA GLY 1 17.734 22.470 6.667 4 H SER 2 H SER 2 17.479 19.075 6.623 5 HA SER 2 HA SER 2 14.655 18.973 7.206 6 HB2 SER 2 1HB SER 2 16.856 16.927 7.081 7 HB3 SER 2 2HB SER 2 15.280 16.516 7.757 8 HG SER 2 HG SER 2 14.499 17.505 5.656 9 H SER 3 H SER 3 13.690 18.704 9.166 10 HA SER 3 HA SER 3 15.321 19.328 11.495 11 HB2 SER 3 1HB SER 3 12.356 19.289 10.968 12 HB3 SER 3 2HB SER 3 12.992 19.411 12.608 13 HG SER 3 HG SER 3 13.998 21.141 10.654 14 H GLY 4 H GLY 4 16.396 17.270 11.618 15 HA2 GLY 4 1HA GLY 4 16.597 15.390 13.014 16 HA3 GLY 4 2HA GLY 4 14.849 15.356 13.185 17 H SER 5 H SER 5 16.525 13.110 12.648 18 HA SER 5 HA SER 5 15.899 12.470 9.854 19 HB2 SER 5 1HB SER 5 17.717 11.092 11.844 20 HB3 SER 5 2HB SER 5 17.420 10.522 10.202 21 HG SER 5 HG SER 5 18.979 11.815 9.669 22 H SER 6 H SER 6 13.722 11.990 9.985 23 HA SER 6 HA SER 6 12.624 10.264 11.969 24 HB2 SER 6 1HB SER 6 11.633 11.556 9.470 25 HB3 SER 6 2HB SER 6 10.724 10.184 10.105 26 HG SER 6 HG SER 6 9.851 11.770 11.232 27 H GLY 7 H GLY 7 13.479 9.826 8.544 28 HA2 GLY 7 1HA GLY 7 14.420 7.223 8.808 29 HA3 GLY 7 2HA GLY 7 12.711 7.101 8.418 30 HA PRO 8 HA PRO 8 14.971 7.219 4.410 31 HB2 PRO 8 1HB PRO 8 13.365 5.391 3.205 32 HB3 PRO 8 2HB PRO 8 14.756 4.942 4.199 33 HG2 PRO 8 1HG PRO 8 11.854 5.015 4.926 34 HG3 PRO 8 2HG PRO 8 13.073 3.787 5.312 35 HD2 PRO 8 1HD PRO 8 12.288 5.669 7.093 36 HD3 PRO 8 2HD PRO 8 13.937 5.013 7.062 37 HA PRO 9 HA PRO 9 12.226 9.846 2.196 38 HB2 PRO 9 1HB PRO 9 12.621 9.114 -0.388 39 HB3 PRO 9 2HB PRO 9 13.825 10.002 0.553 40 HG2 PRO 9 1HG PRO 9 13.677 7.074 -0.052 41 HG3 PRO 9 2HG PRO 9 15.085 8.151 -0.074 42 HD2 PRO 9 1HD PRO 9 14.560 6.483 1.993 43 HD3 PRO 9 2HD PRO 9 15.351 8.056 2.214 44 H ALA 10 H ALA 10 10.126 9.946 1.584 45 HA ALA 10 HA ALA 10 8.395 7.827 1.876 46 HB1 ALA 10 1HB ALA 10 6.895 9.445 1.659 47 HB2 ALA 10 2HB ALA 10 8.188 10.542 1.172 48 HB3 ALA 10 3HB ALA 10 7.296 9.634 -0.048 49 H VAL 11 H VAL 11 7.556 6.259 0.595 50 HA VAL 11 HA VAL 11 8.993 5.363 -1.639 51 HB VAL 11 HB VAL 11 6.161 4.656 -0.858 52 HG11 VAL 11 1HG1 VAL 11 6.995 4.075 -3.207 53 HG12 VAL 11 2HG1 VAL 11 8.074 2.934 -2.402 54 HG13 VAL 11 3HG1 VAL 11 6.326 2.768 -2.231 55 HG21 VAL 11 1HG2 VAL 11 8.496 4.257 0.581 56 HG22 VAL 11 2HG2 VAL 11 6.968 3.403 0.800 57 HG23 VAL 11 3HG2 VAL 11 8.221 2.716 -0.233 58 H SER 12 H SER 12 8.916 5.871 -3.729 59 HA SER 12 HA SER 12 6.691 7.560 -4.663 60 HB2 SER 12 1HB SER 12 8.257 8.441 -6.350 61 HB3 SER 12 2HB SER 12 8.865 8.697 -4.714 62 HG SER 12 HG SER 12 10.442 7.866 -6.218 63 H ASP 13 H ASP 13 6.599 7.416 -7.218 64 HA ASP 13 HA ASP 13 5.730 6.150 -8.910 65 HB2 ASP 13 1HB ASP 13 8.164 4.481 -8.238 66 HB3 ASP 13 2HB ASP 13 7.249 4.389 -9.741 67 H ILE 14 H ILE 14 4.185 5.673 -6.855 68 HA ILE 14 HA ILE 14 4.074 2.801 -6.337 69 HB ILE 14 HB ILE 14 2.286 4.977 -5.248 70 HG12 ILE 14 1HG1 ILE 14 4.588 3.628 -3.835 71 HG13 ILE 14 2HG1 ILE 14 4.755 5.167 -4.673 72 HG21 ILE 14 1HG2 ILE 14 1.514 3.380 -3.683 73 HG22 ILE 14 2HG2 ILE 14 1.446 2.597 -5.261 74 HG23 ILE 14 3HG2 ILE 14 2.758 2.219 -4.145 75 HD11 ILE 14 1HD1 ILE 14 3.811 4.646 -2.038 76 HD12 ILE 14 2HD1 ILE 14 4.101 6.193 -2.833 77 HD13 ILE 14 3HD1 ILE 14 2.527 5.410 -2.976 78 H ARG 15 H ARG 15 3.463 2.117 -8.439 79 HA ARG 15 HA ARG 15 0.737 2.874 -9.250 80 HB2 ARG 15 1HB ARG 15 3.147 1.967 -10.774 81 HB3 ARG 15 2HB ARG 15 1.547 1.644 -11.428 82 HG2 ARG 15 1HG ARG 15 1.076 4.104 -11.192 83 HG3 ARG 15 2HG ARG 15 2.791 4.312 -10.832 84 HD2 ARG 15 1HD ARG 15 2.425 4.738 -13.171 85 HD3 ARG 15 2HD ARG 15 3.328 3.234 -12.996 86 HE ARG 15 HE ARG 15 0.601 2.619 -13.122 87 HH11 ARG 15 2HH1 ARG 15 3.131 3.893 -15.146 88 HH12 ARG 15 1HH1 ARG 15 2.432 3.301 -16.616 89 HH21 ARG 15 2HH2 ARG 15 -0.329 1.835 -15.052 90 HH22 ARG 15 1HH2 ARG 15 0.463 2.131 -16.562 91 H VAL 16 H VAL 16 -0.694 1.211 -9.997 92 HA VAL 16 HA VAL 16 -0.234 -1.340 -8.619 93 HB VAL 16 HB VAL 16 -2.785 -0.050 -9.588 94 HG11 VAL 16 1HG1 VAL 16 -3.515 -2.171 -8.007 95 HG12 VAL 16 2HG1 VAL 16 -3.573 -2.135 -9.770 96 HG13 VAL 16 3HG1 VAL 16 -2.176 -2.829 -8.946 97 HG21 VAL 16 1HG2 VAL 16 -2.381 1.009 -7.611 98 HG22 VAL 16 2HG2 VAL 16 -3.187 -0.432 -6.992 99 HG23 VAL 16 3HG2 VAL 16 -1.427 -0.325 -6.962 100 H THR 17 H THR 17 0.215 -3.098 -9.759 101 HA THR 17 HA THR 17 -0.472 -3.128 -12.626 102 HB THR 17 HB THR 17 1.974 -3.079 -12.157 103 HG1 THR 17 1HG THR 17 1.426 -5.627 -13.213 104 HG21 THR 17 1HG2 THR 17 1.290 -5.607 -10.692 105 HG22 THR 17 2HG2 THR 17 2.285 -4.250 -10.162 106 HG23 THR 17 3HG2 THR 17 2.893 -5.366 -11.384 107 H ARG 18 H ARG 18 -0.678 -5.387 -13.527 108 HA ARG 18 HA ARG 18 -2.017 -7.238 -13.620 109 HB2 ARG 18 1HB ARG 18 -0.443 -7.672 -11.085 110 HB3 ARG 18 2HB ARG 18 -1.506 -8.900 -11.758 111 HG2 ARG 18 1HG ARG 18 -0.195 -9.023 -13.761 112 HG3 ARG 18 2HG ARG 18 0.797 -7.658 -13.243 113 HD2 ARG 18 1HD ARG 18 2.119 -9.492 -12.718 114 HD3 ARG 18 2HD ARG 18 1.329 -9.121 -11.186 115 HE ARG 18 HE ARG 18 0.360 -11.178 -11.269 116 HH11 ARG 18 2HH1 ARG 18 1.253 -10.252 -14.504 117 HH12 ARG 18 1HH1 ARG 18 0.780 -11.763 -15.207 118 HH21 ARG 18 2HH2 ARG 18 -0.267 -13.172 -12.183 119 HH22 ARG 18 1HH2 ARG 18 -0.085 -13.423 -13.886 120 H SER 19 H SER 19 -3.322 -4.963 -12.528 121 HA SER 19 HA SER 19 -4.667 -5.110 -10.197 122 HB2 SER 19 1HB SER 19 -6.611 -4.056 -11.347 123 HB3 SER 19 2HB SER 19 -5.071 -3.313 -11.779 124 HG SER 19 HG SER 19 -5.142 -4.811 -13.644 125 H SER 20 H SER 20 -6.284 -6.265 -9.268 126 HA SER 20 HA SER 20 -7.386 -8.515 -10.821 127 HB2 SER 20 1HB SER 20 -6.988 -8.661 -7.846 128 HB3 SER 20 2HB SER 20 -7.136 -9.977 -9.012 129 HG SER 20 HG SER 20 -4.926 -8.308 -8.490 130 HA PRO 21 HA PRO 21 -11.409 -7.116 -9.759 131 HB2 PRO 21 1HB PRO 21 -12.759 -9.469 -9.661 132 HB3 PRO 21 2HB PRO 21 -12.209 -8.739 -11.175 133 HG2 PRO 21 1HG PRO 21 -10.963 -10.937 -9.570 134 HG3 PRO 21 2HG PRO 21 -11.173 -10.815 -11.327 135 HD2 PRO 21 1HD PRO 21 -8.820 -10.275 -10.100 136 HD3 PRO 21 2HD PRO 21 -9.341 -9.438 -11.576 137 H SER 22 H SER 22 -10.378 -9.980 -7.903 138 HA SER 22 HA SER 22 -11.844 -8.930 -5.580 139 HB2 SER 22 1HB SER 22 -11.778 -11.187 -4.681 140 HB3 SER 22 2HB SER 22 -12.406 -11.237 -6.328 141 HG SER 22 HG SER 22 -9.968 -11.577 -6.774 142 H SER 23 H SER 23 -9.152 -8.085 -6.585 143 HA SER 23 HA SER 23 -7.874 -7.824 -4.078 144 HB2 SER 23 1HB SER 23 -5.727 -9.082 -5.008 145 HB3 SER 23 2HB SER 23 -6.977 -9.945 -4.112 146 HG SER 23 HG SER 23 -7.694 -10.848 -5.939 147 H LEU 24 H LEU 24 -5.654 -6.810 -4.333 148 HA LEU 24 HA LEU 24 -5.284 -5.464 -6.900 149 HB2 LEU 24 1HB LEU 24 -5.456 -3.980 -4.283 150 HB3 LEU 24 2HB LEU 24 -5.114 -3.278 -5.863 151 HG LEU 24 HG LEU 24 -7.713 -4.660 -5.250 152 HD11 LEU 24 1HD1 LEU 24 -7.192 -1.702 -5.049 153 HD12 LEU 24 2HD1 LEU 24 -7.283 -2.782 -3.658 154 HD13 LEU 24 3HD1 LEU 24 -8.692 -2.561 -4.695 155 HD21 LEU 24 1HD2 LEU 24 -6.863 -2.659 -7.340 156 HD22 LEU 24 2HD2 LEU 24 -8.501 -3.277 -7.127 157 HD23 LEU 24 3HD2 LEU 24 -7.199 -4.370 -7.600 158 H SER 25 H SER 25 -3.244 -5.795 -7.453 159 HA SER 25 HA SER 25 -1.243 -6.396 -5.447 160 HB2 SER 25 1HB SER 25 -1.536 -7.523 -7.775 161 HB3 SER 25 2HB SER 25 -0.668 -6.114 -8.384 162 HG SER 25 HG SER 25 0.219 -8.132 -6.633 163 H LEU 26 H LEU 26 0.470 -5.144 -4.874 164 HA LEU 26 HA LEU 26 0.613 -2.455 -6.071 165 HB2 LEU 26 1HB LEU 26 1.249 -3.153 -3.212 166 HB3 LEU 26 2HB LEU 26 1.179 -1.545 -3.929 167 HG LEU 26 HG LEU 26 -1.267 -3.272 -3.842 168 HD11 LEU 26 1HD1 LEU 26 -1.777 -2.746 -1.674 169 HD12 LEU 26 2HD1 LEU 26 -0.727 -1.330 -1.651 170 HD13 LEU 26 3HD1 LEU 26 -0.029 -2.946 -1.549 171 HD21 LEU 26 1HD2 LEU 26 -0.787 -0.294 -3.840 172 HD22 LEU 26 2HD2 LEU 26 -2.369 -1.070 -3.768 173 HD23 LEU 26 3HD2 LEU 26 -1.353 -1.267 -5.197 174 H ALA 27 H ALA 27 2.724 -1.425 -5.978 175 HA ALA 27 HA ALA 27 5.074 -2.808 -5.249 176 HB1 ALA 27 1HB ALA 27 3.979 -3.517 -7.805 177 HB2 ALA 27 2HB ALA 27 5.546 -2.733 -8.011 178 HB3 ALA 27 3HB ALA 27 5.401 -4.157 -6.980 179 H TRP 28 H TRP 28 6.512 -1.268 -4.849 180 HA TRP 28 HA TRP 28 6.324 1.250 -6.368 181 HB2 TRP 28 1HB TRP 28 7.654 2.069 -4.223 182 HB3 TRP 28 2HB TRP 28 5.896 1.961 -4.228 183 HD1 TRP 28 HD TRP 28 8.723 1.040 -2.150 184 HE1 TRP 28 1HE TRP 28 8.099 -0.802 -0.464 185 HE3 TRP 28 3HE TRP 28 4.311 -0.499 -4.225 186 HZ2 TRP 28 2HZ TRP 28 6.013 -2.661 -0.066 187 HZ3 TRP 28 3HZ TRP 28 3.063 -2.315 -3.130 188 HH2 TRP 28 HH TRP 28 3.898 -3.373 -1.094 189 H ALA 29 H ALA 29 8.455 2.485 -6.392 190 HA ALA 29 HA ALA 29 10.504 0.676 -7.386 191 HB1 ALA 29 1HB ALA 29 11.131 2.347 -8.737 192 HB2 ALA 29 2HB ALA 29 9.601 3.092 -8.273 193 HB3 ALA 29 3HB ALA 29 11.089 3.542 -7.440 194 H VAL 30 H VAL 30 12.427 0.291 -6.442 195 HA VAL 30 HA VAL 30 12.823 0.730 -3.720 196 HB VAL 30 HB VAL 30 14.972 0.218 -5.781 197 HG11 VAL 30 1HG1 VAL 30 14.870 -0.109 -2.793 198 HG12 VAL 30 2HG1 VAL 30 16.063 -0.928 -3.803 199 HG13 VAL 30 3HG1 VAL 30 16.011 0.834 -3.752 200 HG21 VAL 30 1HG2 VAL 30 14.618 -2.127 -5.408 201 HG22 VAL 30 2HG2 VAL 30 13.400 -1.795 -4.176 202 HG23 VAL 30 3HG2 VAL 30 13.079 -1.397 -5.864 203 HA PRO 31 HA PRO 31 13.954 5.072 -4.012 204 HB2 PRO 31 1HB PRO 31 13.913 5.497 -1.331 205 HB3 PRO 31 2HB PRO 31 12.448 5.450 -2.319 206 HG2 PRO 31 1HG PRO 31 13.644 3.310 -0.601 207 HG3 PRO 31 2HG PRO 31 11.945 3.791 -0.769 208 HD2 PRO 31 1HD PRO 31 12.976 1.625 -2.023 209 HD3 PRO 31 2HD PRO 31 11.671 2.603 -2.724 210 H ARG 32 H ARG 32 15.657 6.403 -2.852 211 HA ARG 32 HA ARG 32 18.028 4.730 -2.335 212 HB2 ARG 32 1HB ARG 32 17.906 7.504 -3.534 213 HB3 ARG 32 2HB ARG 32 19.376 6.595 -3.213 214 HG2 ARG 32 1HG ARG 32 18.994 5.110 -4.939 215 HG3 ARG 32 2HG ARG 32 17.261 5.439 -4.974 216 HD2 ARG 32 1HD ARG 32 18.220 6.448 -6.907 217 HD3 ARG 32 2HD ARG 32 17.803 7.743 -5.786 218 HE ARG 32 HE ARG 32 20.461 7.023 -5.328 219 HH11 ARG 32 2HH1 ARG 32 18.513 8.473 -7.822 220 HH12 ARG 32 1HH1 ARG 32 19.811 9.425 -8.464 221 HH21 ARG 32 2HH2 ARG 32 22.178 8.271 -6.163 222 HH22 ARG 32 1HH2 ARG 32 21.895 9.309 -7.519 223 H ALA 33 H ALA 33 18.042 4.641 -0.140 224 HA ALA 33 HA ALA 33 17.597 7.026 1.446 225 HB1 ALA 33 1HB ALA 33 17.401 4.233 1.885 226 HB2 ALA 33 2HB ALA 33 18.568 4.882 3.037 227 HB3 ALA 33 3HB ALA 33 16.938 5.550 2.963 228 HA PRO 34 HA PRO 34 21.820 8.234 1.756 229 HB2 PRO 34 1HB PRO 34 21.704 9.611 4.092 230 HB3 PRO 34 2HB PRO 34 21.032 10.229 2.579 231 HG2 PRO 34 1HG PRO 34 19.637 8.886 4.862 232 HG3 PRO 34 2HG PRO 34 19.137 10.307 3.925 233 HD2 PRO 34 1HD PRO 34 18.122 7.836 3.478 234 HD3 PRO 34 2HD PRO 34 18.333 9.031 2.182 235 H SER 35 H SER 35 20.382 7.073 4.809 236 HA SER 35 HA SER 35 22.659 6.433 6.198 237 HB2 SER 35 1HB SER 35 20.148 6.203 6.858 238 HB3 SER 35 2HB SER 35 20.312 4.556 6.248 239 HG SER 35 HG SER 35 21.844 4.143 7.786 240 H GLY 36 H GLY 36 20.846 4.224 4.058 241 HA2 GLY 36 1HA GLY 36 23.168 3.088 2.919 242 HA3 GLY 36 2HA GLY 36 22.603 2.059 4.227 243 H ALA 37 H ALA 37 20.606 0.996 4.034 244 HA ALA 37 HA ALA 37 19.240 1.188 1.453 245 HB1 ALA 37 1HB ALA 37 20.659 -1.214 2.506 246 HB2 ALA 37 2HB ALA 37 19.189 -1.427 1.555 247 HB3 ALA 37 3HB ALA 37 20.574 -0.586 0.860 248 H VAL 38 H VAL 38 17.122 0.185 1.445 249 HA VAL 38 HA VAL 38 15.718 0.642 3.890 250 HB VAL 38 HB VAL 38 14.728 -0.577 1.308 251 HG11 VAL 38 1HG1 VAL 38 13.246 0.495 3.704 252 HG12 VAL 38 2HG1 VAL 38 12.493 0.112 2.155 253 HG13 VAL 38 3HG1 VAL 38 13.251 -1.164 3.108 254 HG21 VAL 38 1HG2 VAL 38 14.369 2.249 2.280 255 HG22 VAL 38 2HG2 VAL 38 15.670 1.761 1.194 256 HG23 VAL 38 3HG2 VAL 38 13.989 1.590 0.688 257 H LEU 39 H LEU 39 14.975 -0.772 5.372 258 HA LEU 39 HA LEU 39 15.904 -3.522 5.183 259 HB2 LEU 39 1HB LEU 39 14.517 -2.100 7.450 260 HB3 LEU 39 2HB LEU 39 15.275 -3.690 7.526 261 HG LEU 39 HG LEU 39 16.892 -1.267 6.825 262 HD11 LEU 39 1HD1 LEU 39 16.113 -2.186 9.585 263 HD12 LEU 39 2HD1 LEU 39 15.810 -0.611 8.854 264 HD13 LEU 39 3HD1 LEU 39 17.459 -1.100 9.244 265 HD21 LEU 39 1HD2 LEU 39 18.711 -2.574 7.661 266 HD22 LEU 39 2HD2 LEU 39 17.789 -3.578 6.542 267 HD23 LEU 39 3HD2 LEU 39 17.611 -3.805 8.283 268 H ASP 40 H ASP 40 12.861 -2.107 6.387 269 HA ASP 40 HA ASP 40 11.402 -4.168 4.875 270 HB2 ASP 40 1HB ASP 40 9.795 -4.278 6.809 271 HB3 ASP 40 2HB ASP 40 11.395 -4.935 7.144 272 H TYR 41 H TYR 41 8.909 -3.577 5.053 273 HA TYR 41 HA TYR 41 8.596 -0.683 4.646 274 HB2 TYR 41 1HB TYR 41 7.516 -2.852 2.834 275 HB3 TYR 41 2HB TYR 41 7.151 -1.136 2.692 276 HD1 TYR 41 1HD TYR 41 9.907 -3.612 2.511 277 HD2 TYR 41 2HD TYR 41 8.594 0.313 1.522 278 HE1 TYR 41 1HE TYR 41 11.885 -3.317 1.078 279 HE2 TYR 41 2HE TYR 41 10.567 0.618 0.086 280 HH TYR 41 HH TYR 41 12.510 -0.245 -0.581 281 H GLU 42 H GLU 42 6.192 -0.110 4.486 282 HA GLU 42 HA GLU 42 4.515 -1.862 6.122 283 HB2 GLU 42 1HB GLU 42 5.805 0.029 7.435 284 HB3 GLU 42 2HB GLU 42 4.537 1.054 6.778 285 HG2 GLU 42 1HG GLU 42 3.681 0.449 8.827 286 HG3 GLU 42 2HG GLU 42 2.926 -0.716 7.741 287 H VAL 43 H VAL 43 2.790 -2.205 4.892 288 HA VAL 43 HA VAL 43 1.829 -0.095 3.110 289 HB VAL 43 HB VAL 43 1.034 -3.004 3.301 290 HG11 VAL 43 1HG1 VAL 43 0.323 -1.731 0.834 291 HG12 VAL 43 2HG1 VAL 43 -0.710 -2.566 1.997 292 HG13 VAL 43 3HG1 VAL 43 -0.378 -0.844 2.188 293 HG21 VAL 43 1HG2 VAL 43 3.328 -2.574 2.463 294 HG22 VAL 43 2HG2 VAL 43 2.270 -3.303 1.255 295 HG23 VAL 43 3HG2 VAL 43 2.637 -1.580 1.180 296 H LYS 44 H LYS 44 0.273 1.208 3.786 297 HA LYS 44 HA LYS 44 -1.692 0.175 5.726 298 HB2 LYS 44 1HB LYS 44 -0.307 1.895 6.735 299 HB3 LYS 44 2HB LYS 44 -0.630 2.986 5.394 300 HG2 LYS 44 1HG LYS 44 -3.083 2.811 6.058 301 HG3 LYS 44 2HG LYS 44 -2.500 2.079 7.555 302 HD2 LYS 44 1HD LYS 44 -0.922 4.212 7.541 303 HD3 LYS 44 2HD LYS 44 -2.240 4.872 6.570 304 HE2 LYS 44 1HE LYS 44 -3.767 4.711 8.300 305 HE3 LYS 44 2HE LYS 44 -2.844 3.462 9.135 306 HZ1 LYS 44 1HZ LYS 44 -1.677 4.979 10.250 307 HZ2 LYS 44 2HZ LYS 44 -2.865 6.088 9.782 308 HZ3 LYS 44 3HZ LYS 44 -1.435 5.955 8.889 309 H TYR 45 H TYR 45 -3.685 -0.013 4.967 310 HA TYR 45 HA TYR 45 -4.634 1.893 2.949 311 HB2 TYR 45 1HB TYR 45 -5.760 0.016 1.748 312 HB3 TYR 45 2HB TYR 45 -4.003 -0.051 1.671 313 HD1 TYR 45 2HD TYR 45 -2.844 -1.556 3.461 314 HD2 TYR 45 1HD TYR 45 -6.948 -1.874 2.383 315 HE1 TYR 45 2HE TYR 45 -2.890 -3.855 4.335 316 HE2 TYR 45 1HE TYR 45 -7.005 -4.173 3.255 317 HH TYR 45 HH TYR 45 -5.355 -5.436 5.221 318 H HIS 46 H HIS 46 -6.787 2.423 3.078 319 HA HIS 46 HA HIS 46 -8.548 0.981 4.871 320 HB2 HIS 46 1HB HIS 46 -8.824 2.582 6.501 321 HB3 HIS 46 2HB HIS 46 -7.118 2.814 6.132 322 HD1 HIS 46 1HD HIS 46 -10.007 4.727 6.712 323 HD2 HIS 46 2HD HIS 46 -6.945 4.937 3.911 324 HE1 HIS 46 1HE HIS 46 -10.048 7.088 5.846 325 HE2 HIS 46 2HE HIS 46 -8.243 7.167 4.091 326 H GLU 47 H GLU 47 -10.578 1.026 4.132 327 HA GLU 47 HA GLU 47 -11.342 1.922 1.690 328 HB2 GLU 47 1HB GLU 47 -12.624 0.553 3.547 329 HB3 GLU 47 2HB GLU 47 -13.356 2.114 3.889 330 HG2 GLU 47 1HG GLU 47 -13.916 2.213 1.409 331 HG3 GLU 47 2HG GLU 47 -13.500 0.501 1.368 332 H LYS 48 H LYS 48 -12.698 3.683 0.962 333 HA LYS 48 HA LYS 48 -11.857 6.209 2.131 334 HB2 LYS 48 1HB LYS 48 -11.816 5.663 -0.369 335 HB3 LYS 48 2HB LYS 48 -13.564 5.850 -0.326 336 HG2 LYS 48 1HG LYS 48 -12.560 7.893 -1.086 337 HG3 LYS 48 2HG LYS 48 -13.266 8.151 0.511 338 HD2 LYS 48 1HD LYS 48 -11.101 8.006 1.551 339 HD3 LYS 48 2HD LYS 48 -10.351 7.551 0.019 340 HE2 LYS 48 1HE LYS 48 -10.442 9.680 -0.813 341 HE3 LYS 48 2HE LYS 48 -11.868 10.105 0.132 342 HZ1 LYS 48 1HZ LYS 48 -9.161 10.595 0.722 343 HZ2 LYS 48 2HZ LYS 48 -9.807 9.602 1.929 344 HZ3 LYS 48 3HZ LYS 48 -10.534 11.089 1.578 345 H GLY 49 H GLY 49 -13.818 4.534 3.526 346 HA2 GLY 49 1HA GLY 49 -15.548 6.464 4.488 347 HA3 GLY 49 2HA GLY 49 -16.417 5.653 3.193 348 H ALA 50 H ALA 50 -14.624 5.019 6.190 349 HA ALA 50 HA ALA 50 -16.603 2.966 6.853 350 HB1 ALA 50 1HB ALA 50 -14.770 1.470 7.663 351 HB2 ALA 50 2HB ALA 50 -14.835 1.668 5.911 352 HB3 ALA 50 3HB ALA 50 -13.621 2.535 6.852 353 H GLU 51 H GLU 51 -17.456 3.581 8.722 354 HA GLU 51 HA GLU 51 -16.030 5.304 10.538 355 HB2 GLU 51 1HB GLU 51 -18.742 3.998 10.822 356 HB3 GLU 51 2HB GLU 51 -18.099 5.263 11.859 357 HG2 GLU 51 1HG GLU 51 -19.553 6.350 10.388 358 HG3 GLU 51 2HG GLU 51 -17.936 6.694 9.777 359 H GLY 52 H GLY 52 -14.717 4.630 12.092 360 HA2 GLY 52 1HA GLY 52 -14.631 3.278 14.175 361 HA3 GLY 52 2HA GLY 52 -15.137 1.916 13.186 362 HA PRO 53 HA PRO 53 -10.391 2.493 13.395 363 HB2 PRO 53 1HB PRO 53 -9.807 0.688 15.338 364 HB3 PRO 53 2HB PRO 53 -10.105 2.398 15.673 365 HG2 PRO 53 1HG PRO 53 -11.960 0.064 15.940 366 HG3 PRO 53 2HG PRO 53 -11.714 1.429 17.044 367 HD2 PRO 53 1HD PRO 53 -13.804 1.302 15.327 368 HD3 PRO 53 2HD PRO 53 -13.049 2.838 15.801 369 H SER 54 H SER 54 -12.729 0.053 13.044 370 HA SER 54 HA SER 54 -10.839 -1.978 12.166 371 HB2 SER 54 1HB SER 54 -13.856 -1.964 12.379 372 HB3 SER 54 2HB SER 54 -12.926 -3.331 11.766 373 HG SER 54 HG SER 54 -13.132 -3.760 13.883 374 H SER 55 H SER 55 -10.516 0.173 10.594 375 HA SER 55 HA SER 55 -11.719 -0.687 8.051 376 HB2 SER 55 1HB SER 55 -12.902 1.286 8.355 377 HB3 SER 55 2HB SER 55 -11.578 2.069 9.217 378 HG SER 55 HG SER 55 -11.147 1.366 6.554 379 H VAL 56 H VAL 56 -9.073 1.044 9.641 380 HA VAL 56 HA VAL 56 -7.414 0.855 7.259 381 HB VAL 56 HB VAL 56 -7.325 2.910 8.595 382 HG11 VAL 56 1HG1 VAL 56 -7.743 1.774 10.786 383 HG12 VAL 56 2HG1 VAL 56 -6.056 1.256 10.770 384 HG13 VAL 56 3HG1 VAL 56 -6.453 2.975 10.814 385 HG21 VAL 56 1HG2 VAL 56 -5.083 1.313 7.796 386 HG22 VAL 56 2HG2 VAL 56 -5.282 3.064 7.734 387 HG23 VAL 56 3HG2 VAL 56 -4.648 2.299 9.192 388 H ARG 57 H ARG 57 -6.158 -0.832 6.859 389 HA ARG 57 HA ARG 57 -5.400 -2.587 9.097 390 HB2 ARG 57 1HB ARG 57 -5.904 -3.114 6.182 391 HB3 ARG 57 2HB ARG 57 -4.939 -4.228 7.143 392 HG2 ARG 57 1HG ARG 57 -7.605 -3.417 8.176 393 HG3 ARG 57 2HG ARG 57 -7.528 -4.561 6.835 394 HD2 ARG 57 1HD ARG 57 -5.975 -5.951 8.198 395 HD3 ARG 57 2HD ARG 57 -6.246 -4.850 9.548 396 HE ARG 57 HE ARG 57 -8.701 -5.845 8.524 397 HH11 ARG 57 2HH1 ARG 57 -5.963 -6.713 10.492 398 HH12 ARG 57 1HH1 ARG 57 -6.841 -7.874 11.431 399 HH21 ARG 57 2HH2 ARG 57 -9.868 -7.372 9.754 400 HH22 ARG 57 1HH2 ARG 57 -9.061 -8.249 11.010 401 H PHE 58 H PHE 58 -3.282 -3.707 8.839 402 HA PHE 58 HA PHE 58 -1.301 -2.021 7.464 403 HB2 PHE 58 1HB PHE 58 -1.350 -2.916 10.322 404 HB3 PHE 58 2HB PHE 58 0.197 -2.690 9.512 405 HD1 PHE 58 2HD PHE 58 -2.972 -0.964 10.365 406 HD2 PHE 58 1HD PHE 58 1.130 -0.566 9.299 407 HE1 PHE 58 2HE PHE 58 -3.089 1.450 10.826 408 HE2 PHE 58 1HE PHE 58 1.019 1.849 9.759 409 HZ PHE 58 HZ PHE 58 -1.093 2.860 10.522 410 H LEU 59 H LEU 59 0.135 -3.101 6.262 411 HA LEU 59 HA LEU 59 0.442 -5.993 6.714 412 HB2 LEU 59 1HB LEU 59 -0.944 -5.858 4.819 413 HB3 LEU 59 2HB LEU 59 -0.022 -4.518 4.141 414 HG LEU 59 HG LEU 59 1.894 -6.328 4.042 415 HD11 LEU 59 1HD1 LEU 59 -0.259 -8.218 3.393 416 HD12 LEU 59 2HD1 LEU 59 -0.026 -7.903 5.112 417 HD13 LEU 59 3HD1 LEU 59 1.317 -8.496 4.135 418 HD21 LEU 59 1HD2 LEU 59 0.279 -7.025 1.843 419 HD22 LEU 59 2HD2 LEU 59 1.574 -5.830 1.904 420 HD23 LEU 59 3HD2 LEU 59 -0.090 -5.345 2.233 421 H LYS 60 H LYS 60 2.477 -6.538 7.092 422 HA LYS 60 HA LYS 60 4.614 -4.708 6.259 423 HB2 LYS 60 1HB LYS 60 4.460 -6.839 8.385 424 HB3 LYS 60 2HB LYS 60 5.988 -6.124 7.888 425 HG2 LYS 60 1HG LYS 60 5.466 -4.060 8.779 426 HG3 LYS 60 2HG LYS 60 3.728 -4.366 8.737 427 HD2 LYS 60 1HD LYS 60 3.758 -5.577 10.683 428 HD3 LYS 60 2HD LYS 60 5.429 -6.100 10.459 429 HE2 LYS 60 1HE LYS 60 5.962 -3.567 10.792 430 HE3 LYS 60 2HE LYS 60 4.372 -3.527 11.552 431 HZ1 LYS 60 1HZ LYS 60 5.903 -3.929 13.266 432 HZ2 LYS 60 2HZ LYS 60 6.744 -5.095 12.375 433 HZ3 LYS 60 3HZ LYS 60 5.192 -5.433 12.957 434 H THR 61 H THR 61 6.095 -5.273 4.787 435 HA THR 61 HA THR 61 6.559 -8.072 4.150 436 HB THR 61 HB THR 61 4.740 -7.593 2.640 437 HG1 THR 61 1HG THR 61 5.763 -8.339 0.888 438 HG21 THR 61 1HG2 THR 61 5.357 -5.030 2.732 439 HG22 THR 61 2HG2 THR 61 4.518 -5.712 1.338 440 HG23 THR 61 3HG2 THR 61 6.256 -5.424 1.267 441 H SER 62 H SER 62 8.687 -8.304 4.096 442 HA SER 62 HA SER 62 10.533 -6.214 4.075 443 HB2 SER 62 1HB SER 62 12.222 -7.871 3.979 444 HB3 SER 62 2HB SER 62 10.876 -8.643 4.817 445 HG SER 62 HG SER 62 10.287 -9.468 2.666 446 H GLU 63 H GLU 63 8.848 -7.699 1.488 447 HA GLU 63 HA GLU 63 10.748 -6.859 -0.540 448 HB2 GLU 63 1HB GLU 63 8.201 -8.415 -0.523 449 HB3 GLU 63 2HB GLU 63 8.704 -7.648 -2.023 450 HG2 GLU 63 1HG GLU 63 10.511 -9.012 -2.283 451 HG3 GLU 63 2HG GLU 63 10.695 -9.284 -0.552 452 H ASN 64 H ASN 64 10.065 -5.494 -2.350 453 HA ASN 64 HA ASN 64 8.632 -3.167 -1.369 454 HB2 ASN 64 1HB ASN 64 9.604 -1.972 -3.147 455 HB3 ASN 64 2HB ASN 64 10.851 -3.120 -2.670 456 HD21 ASN 64 1HD2 ASN 64 10.056 -1.700 -5.244 457 HD22 ASN 64 2HD2 ASN 64 10.055 -2.964 -6.422 458 H ARG 65 H ARG 65 7.211 -5.680 -2.034 459 HA ARG 65 HA ARG 65 5.125 -4.474 -3.646 460 HB2 ARG 65 1HB ARG 65 4.963 -6.448 -5.149 461 HB3 ARG 65 2HB ARG 65 6.438 -5.519 -5.377 462 HG2 ARG 65 1HG ARG 65 7.678 -7.157 -4.056 463 HG3 ARG 65 2HG ARG 65 6.197 -8.089 -3.827 464 HD2 ARG 65 1HD ARG 65 7.144 -7.411 -6.582 465 HD3 ARG 65 2HD ARG 65 7.864 -8.760 -5.705 466 HE ARG 65 HE ARG 65 5.094 -9.044 -5.581 467 HH11 ARG 65 2HH1 ARG 65 7.634 -9.089 -7.961 468 HH12 ARG 65 1HH1 ARG 65 6.803 -10.183 -9.017 469 HH21 ARG 65 2HH2 ARG 65 3.990 -10.484 -6.962 470 HH22 ARG 65 1HH2 ARG 65 4.730 -10.975 -8.449 471 H ALA 66 H ALA 66 3.090 -5.457 -3.379 472 HA ALA 66 HA ALA 66 2.871 -7.752 -1.606 473 HB1 ALA 66 1HB ALA 66 2.246 -4.981 -0.791 474 HB2 ALA 66 2HB ALA 66 1.076 -6.222 -0.340 475 HB3 ALA 66 3HB ALA 66 2.756 -6.365 0.177 476 H GLU 67 H GLU 67 0.510 -8.349 -1.288 477 HA GLU 67 HA GLU 67 -1.187 -7.487 -3.512 478 HB2 GLU 67 1HB GLU 67 0.038 -9.506 -4.259 479 HB3 GLU 67 2HB GLU 67 -0.613 -10.388 -2.885 480 HG2 GLU 67 1HG GLU 67 -2.827 -10.236 -3.730 481 HG3 GLU 67 2HG GLU 67 -2.333 -9.101 -4.985 482 H LEU 68 H LEU 68 -3.055 -6.872 -2.669 483 HA LEU 68 HA LEU 68 -3.894 -7.852 -0.072 484 HB2 LEU 68 1HB LEU 68 -5.153 -5.829 -1.918 485 HB3 LEU 68 2HB LEU 68 -5.687 -6.185 -0.276 486 HG LEU 68 HG LEU 68 -3.054 -4.941 -1.069 487 HD11 LEU 68 1HD1 LEU 68 -5.505 -3.747 -0.926 488 HD12 LEU 68 2HD1 LEU 68 -3.959 -2.932 -0.693 489 HD13 LEU 68 3HD1 LEU 68 -4.876 -3.499 0.703 490 HD21 LEU 68 1HD2 LEU 68 -3.078 -4.552 1.519 491 HD22 LEU 68 2HD2 LEU 68 -2.486 -6.073 0.849 492 HD23 LEU 68 3HD2 LEU 68 -4.115 -5.978 1.519 493 H ARG 69 H ARG 69 -5.578 -9.186 0.333 494 HA ARG 69 HA ARG 69 -7.014 -10.260 -2.005 495 HB2 ARG 69 1HB ARG 69 -5.971 -11.560 0.482 496 HB3 ARG 69 2HB ARG 69 -7.372 -12.247 -0.329 497 HG2 ARG 69 1HG ARG 69 -6.168 -12.925 -2.141 498 HG3 ARG 69 2HG ARG 69 -4.975 -11.636 -1.968 499 HD2 ARG 69 1HD ARG 69 -3.948 -13.751 -1.436 500 HD3 ARG 69 2HD ARG 69 -4.082 -12.782 0.031 501 HE ARG 69 HE ARG 69 -6.329 -14.300 0.062 502 HH11 ARG 69 2HH1 ARG 69 -2.937 -15.017 -0.253 503 HH12 ARG 69 1HH1 ARG 69 -3.062 -16.572 0.500 504 HH21 ARG 69 2HH2 ARG 69 -6.507 -16.346 1.054 505 HH22 ARG 69 1HH2 ARG 69 -5.094 -17.328 1.242 506 H GLY 70 H GLY 70 -9.221 -11.045 -1.580 507 HA2 GLY 70 1HA GLY 70 -11.377 -10.613 -0.920 508 HA3 GLY 70 2HA GLY 70 -10.709 -10.522 0.703 509 H LEU 71 H LEU 71 -11.420 -8.651 -2.200 510 HA LEU 71 HA LEU 71 -11.810 -6.298 -0.498 511 HB2 LEU 71 1HB LEU 71 -10.253 -6.335 -3.079 512 HB3 LEU 71 2HB LEU 71 -10.748 -4.876 -2.223 513 HG LEU 71 HG LEU 71 -8.932 -6.960 -1.026 514 HD11 LEU 71 1HD1 LEU 71 -7.707 -4.443 -1.805 515 HD12 LEU 71 2HD1 LEU 71 -8.299 -5.369 -3.183 516 HD13 LEU 71 3HD1 LEU 71 -7.155 -6.099 -2.057 517 HD21 LEU 71 1HD2 LEU 71 -10.185 -4.516 -0.088 518 HD22 LEU 71 2HD2 LEU 71 -8.429 -4.476 0.079 519 HD23 LEU 71 3HD2 LEU 71 -9.356 -5.783 0.818 520 H LYS 72 H LYS 72 -12.770 -4.464 -2.019 521 HA LYS 72 HA LYS 72 -15.062 -5.705 -3.363 522 HB2 LYS 72 1HB LYS 72 -14.649 -2.938 -2.227 523 HB3 LYS 72 2HB LYS 72 -16.074 -3.407 -3.146 524 HG2 LYS 72 1HG LYS 72 -16.746 -4.956 -1.487 525 HG3 LYS 72 2HG LYS 72 -15.199 -4.827 -0.646 526 HD2 LYS 72 1HD LYS 72 -15.752 -2.383 -0.284 527 HD3 LYS 72 2HD LYS 72 -17.380 -2.761 -0.852 528 HE2 LYS 72 1HE LYS 72 -16.199 -4.439 1.304 529 HE3 LYS 72 2HE LYS 72 -16.759 -2.819 1.715 530 HZ1 LYS 72 1HZ LYS 72 -18.800 -3.630 1.818 531 HZ2 LYS 72 2HZ LYS 72 -18.279 -5.156 1.306 532 HZ3 LYS 72 3HZ LYS 72 -18.741 -3.994 0.167 533 H ARG 73 H ARG 73 -15.258 -5.627 -5.501 534 HA ARG 73 HA ARG 73 -13.295 -4.218 -7.075 535 HB2 ARG 73 1HB ARG 73 -14.381 -5.299 -8.996 536 HB3 ARG 73 2HB ARG 73 -13.990 -6.460 -7.734 537 HG2 ARG 73 1HG ARG 73 -16.471 -5.956 -6.989 538 HG3 ARG 73 2HG ARG 73 -16.633 -5.508 -8.689 539 HD2 ARG 73 1HD ARG 73 -15.587 -7.741 -9.243 540 HD3 ARG 73 2HD ARG 73 -15.790 -8.159 -7.542 541 HE ARG 73 HE ARG 73 -18.264 -7.321 -8.390 542 HH11 ARG 73 2HH1 ARG 73 -16.001 -9.801 -9.309 543 HH12 ARG 73 1HH1 ARG 73 -17.225 -10.895 -9.864 544 HH21 ARG 73 2HH2 ARG 73 -19.885 -8.752 -9.117 545 HH22 ARG 73 1HH2 ARG 73 -19.433 -10.297 -9.755 546 H GLY 74 H GLY 74 -15.626 -2.911 -5.492 547 HA2 GLY 74 1HA GLY 74 -16.192 -0.930 -7.558 548 HA3 GLY 74 2HA GLY 74 -17.580 -1.729 -6.836 549 H ALA 75 H ALA 75 -14.532 -0.392 -5.555 550 HA ALA 75 HA ALA 75 -15.908 1.687 -4.132 551 HB1 ALA 75 1HB ALA 75 -16.483 0.069 -2.547 552 HB2 ALA 75 2HB ALA 75 -14.918 -0.737 -2.667 553 HB3 ALA 75 3HB ALA 75 -15.042 0.835 -1.878 554 H SER 76 H SER 76 -14.436 3.087 -2.948 555 HA SER 76 HA SER 76 -11.866 3.234 -4.272 556 HB2 SER 76 1HB SER 76 -13.486 5.064 -2.550 557 HB3 SER 76 2HB SER 76 -11.751 5.349 -2.687 558 HG SER 76 HG SER 76 -13.407 5.004 -4.953 559 H TYR 77 H TYR 77 -9.868 3.083 -3.314 560 HA TYR 77 HA TYR 77 -9.733 2.438 -0.464 561 HB2 TYR 77 1HB TYR 77 -9.053 0.615 -2.714 562 HB3 TYR 77 2HB TYR 77 -7.971 0.619 -1.325 563 HD1 TYR 77 1HD TYR 77 -9.196 0.432 1.016 564 HD2 TYR 77 2HD TYR 77 -10.856 -0.829 -2.693 565 HE1 TYR 77 1HE TYR 77 -10.726 -1.071 2.219 566 HE2 TYR 77 2HE TYR 77 -12.391 -2.335 -1.500 567 HH TYR 77 HH TYR 77 -12.025 -3.110 1.783 568 H LEU 78 H LEU 78 -8.354 3.859 0.352 569 HA LEU 78 HA LEU 78 -6.281 5.044 -1.281 570 HB2 LEU 78 1HB LEU 78 -6.984 5.458 1.621 571 HB3 LEU 78 2HB LEU 78 -5.818 6.412 0.707 572 HG LEU 78 HG LEU 78 -8.775 6.271 0.122 573 HD11 LEU 78 1HD1 LEU 78 -7.183 7.940 1.940 574 HD12 LEU 78 2HD1 LEU 78 -8.908 7.573 1.947 575 HD13 LEU 78 3HD1 LEU 78 -8.277 8.822 0.874 576 HD21 LEU 78 1HD2 LEU 78 -7.319 6.735 -1.825 577 HD22 LEU 78 2HD2 LEU 78 -6.654 8.122 -0.960 578 HD23 LEU 78 3HD2 LEU 78 -8.362 8.092 -1.400 579 H VAL 79 H VAL 79 -4.465 3.940 -1.600 580 HA VAL 79 HA VAL 79 -3.398 2.281 0.577 581 HB VAL 79 HB VAL 79 -2.644 2.289 -2.349 582 HG11 VAL 79 1HG1 VAL 79 -0.990 1.545 -0.439 583 HG12 VAL 79 2HG1 VAL 79 -1.970 0.077 -0.474 584 HG13 VAL 79 3HG1 VAL 79 -1.137 0.618 -1.932 585 HG21 VAL 79 1HG2 VAL 79 -4.820 1.045 -0.923 586 HG22 VAL 79 2HG2 VAL 79 -4.492 1.087 -2.655 587 HG23 VAL 79 3HG2 VAL 79 -3.765 -0.167 -1.650 588 H GLN 80 H GLN 80 -1.466 2.692 1.503 589 HA GLN 80 HA GLN 80 0.241 4.771 0.333 590 HB2 GLN 80 1HB GLN 80 -0.927 4.719 3.097 591 HB3 GLN 80 2HB GLN 80 0.611 5.516 2.797 592 HG2 GLN 80 1HG GLN 80 -1.075 7.173 2.698 593 HG3 GLN 80 2HG GLN 80 -0.529 6.883 1.047 594 HE21 GLN 80 1HE2 GLN 80 -2.826 5.222 3.180 595 HE22 GLN 80 2HE2 GLN 80 -4.160 5.297 2.085 596 H VAL 81 H VAL 81 2.201 3.962 0.050 597 HA VAL 81 HA VAL 81 3.122 1.815 1.837 598 HB VAL 81 HB VAL 81 4.107 2.541 -0.925 599 HG11 VAL 81 1HG1 VAL 81 4.817 -0.075 0.134 600 HG12 VAL 81 2HG1 VAL 81 5.826 1.142 -0.650 601 HG13 VAL 81 3HG1 VAL 81 5.490 1.253 1.079 602 HG21 VAL 81 1HG2 VAL 81 2.034 1.555 -1.280 603 HG22 VAL 81 2HG2 VAL 81 3.141 0.186 -1.381 604 HG23 VAL 81 3HG2 VAL 81 2.209 0.459 0.091 605 H ARG 82 H ARG 82 4.915 2.056 3.047 606 HA ARG 82 HA ARG 82 6.519 4.495 2.649 607 HB2 ARG 82 1HB ARG 82 6.747 4.718 5.056 608 HB3 ARG 82 2HB ARG 82 5.044 4.705 4.617 609 HG2 ARG 82 1HG ARG 82 4.674 2.643 5.561 610 HG3 ARG 82 2HG ARG 82 6.365 2.156 5.417 611 HD2 ARG 82 1HD ARG 82 6.285 2.561 7.659 612 HD3 ARG 82 2HD ARG 82 6.709 4.176 7.090 613 HE ARG 82 HE ARG 82 3.885 3.799 7.252 614 HH11 ARG 82 2HH1 ARG 82 6.737 4.496 9.124 615 HH12 ARG 82 1HH1 ARG 82 5.874 5.345 10.364 616 HH21 ARG 82 2HH2 ARG 82 2.738 4.914 8.878 617 HH22 ARG 82 1HH2 ARG 82 3.600 5.581 10.224 618 H ALA 83 H ALA 83 8.677 4.320 3.846 619 HA ALA 83 HA ALA 83 9.740 1.585 3.562 620 HB1 ALA 83 1HB ALA 83 10.443 3.048 1.708 621 HB2 ALA 83 2HB ALA 83 11.186 4.141 2.877 622 HB3 ALA 83 3HB ALA 83 11.801 2.498 2.690 623 H ARG 84 H ARG 84 11.576 1.066 4.892 624 HA ARG 84 HA ARG 84 11.944 2.821 7.220 625 HB2 ARG 84 1HB ARG 84 10.330 0.972 7.733 626 HB3 ARG 84 2HB ARG 84 11.618 -0.177 7.397 627 HG2 ARG 84 1HG ARG 84 12.132 1.961 9.394 628 HG3 ARG 84 2HG ARG 84 11.076 0.621 9.846 629 HD2 ARG 84 1HD ARG 84 12.816 -0.974 9.301 630 HD3 ARG 84 2HD ARG 84 13.864 0.326 8.734 631 HE ARG 84 HE ARG 84 14.410 0.790 10.910 632 HH11 ARG 84 2HH1 ARG 84 11.592 -1.253 10.844 633 HH12 ARG 84 1HH1 ARG 84 11.586 -1.523 12.555 634 HH21 ARG 84 2HH2 ARG 84 14.414 0.442 13.164 635 HH22 ARG 84 1HH2 ARG 84 13.192 -0.557 13.874 636 H SER 85 H SER 85 14.014 3.198 7.650 637 HA SER 85 HA SER 85 16.022 1.276 6.670 638 HB2 SER 85 1HB SER 85 17.382 2.979 5.864 639 HB3 SER 85 2HB SER 85 15.777 3.611 5.495 640 HG SER 85 HG SER 85 16.084 4.552 7.781 641 H GLU 86 H GLU 86 18.244 1.828 7.773 642 HA GLU 86 HA GLU 86 18.189 1.044 10.379 643 HB2 GLU 86 1HB GLU 86 20.225 2.923 9.169 644 HB3 GLU 86 2HB GLU 86 20.460 1.935 10.604 645 HG2 GLU 86 1HG GLU 86 19.930 -0.048 9.038 646 HG3 GLU 86 2HG GLU 86 20.285 1.094 7.744 647 H ALA 87 H ALA 87 18.114 4.375 9.184 648 HA ALA 87 HA ALA 87 18.298 5.724 11.609 649 HB1 ALA 87 1HB ALA 87 17.344 7.615 10.492 650 HB2 ALA 87 2HB ALA 87 18.382 6.763 9.348 651 HB3 ALA 87 3HB ALA 87 16.630 6.584 9.252 652 H GLY 88 H GLY 88 15.283 5.004 9.825 653 HA2 GLY 88 1HA GLY 88 13.851 3.967 11.971 654 HA3 GLY 88 2HA GLY 88 13.595 5.705 11.992 655 H TYR 89 H TYR 89 11.478 5.774 11.410 656 HA TYR 89 HA TYR 89 10.733 4.495 8.868 657 HB2 TYR 89 1HB TYR 89 9.244 5.105 11.370 658 HB3 TYR 89 2HB TYR 89 8.352 5.209 9.856 659 HD1 TYR 89 2HD TYR 89 7.996 3.211 8.484 660 HD2 TYR 89 1HD TYR 89 10.004 2.982 12.228 661 HE1 TYR 89 2HE TYR 89 7.685 0.771 8.495 662 HE2 TYR 89 1HE TYR 89 9.699 0.542 12.249 663 HH TYR 89 HH TYR 89 9.041 -1.251 9.692 664 H GLY 90 H GLY 90 9.860 5.673 7.210 665 HA2 GLY 90 1HA GLY 90 10.053 8.599 7.509 666 HA3 GLY 90 2HA GLY 90 10.223 7.723 5.994 667 HA PRO 91 HA PRO 91 5.851 9.411 6.562 668 HB2 PRO 91 1HB PRO 91 5.908 11.164 4.490 669 HB3 PRO 91 2HB PRO 91 6.395 11.601 6.132 670 HG2 PRO 91 1HG PRO 91 8.099 10.855 3.786 671 HG3 PRO 91 2HG PRO 91 8.335 12.150 4.974 672 HD2 PRO 91 1HD PRO 91 9.663 9.794 5.105 673 HD3 PRO 91 2HD PRO 91 9.208 10.715 6.553 674 H PHE 92 H PHE 92 4.130 8.688 5.369 675 HA PHE 92 HA PHE 92 4.483 6.583 3.581 676 HB2 PHE 92 1HB PHE 92 2.160 8.311 4.333 677 HB3 PHE 92 2HB PHE 92 1.997 7.214 2.965 678 HD1 PHE 92 1HD PHE 92 2.741 4.742 3.432 679 HD2 PHE 92 2HD PHE 92 1.642 7.548 6.438 680 HE1 PHE 92 1HE PHE 92 2.246 2.891 4.975 681 HE2 PHE 92 2HE PHE 92 1.146 5.701 7.985 682 HZ PHE 92 HZ PHE 92 1.448 3.369 7.255 683 H GLY 93 H GLY 93 4.296 6.384 1.351 684 HA2 GLY 93 1HA GLY 93 5.353 8.520 -0.181 685 HA3 GLY 93 2HA GLY 93 4.718 7.011 -0.819 686 H GLN 94 H GLN 94 4.237 9.039 -2.382 687 HA GLN 94 HA GLN 94 2.095 10.730 -1.888 688 HB2 GLN 94 1HB GLN 94 3.680 10.684 -3.896 689 HB3 GLN 94 2HB GLN 94 2.607 9.467 -4.574 690 HG2 GLN 94 1HG GLN 94 0.764 11.257 -4.080 691 HG3 GLN 94 2HG GLN 94 2.133 12.366 -4.108 692 HE21 GLN 94 1HE2 GLN 94 0.364 9.973 -5.967 693 HE22 GLN 94 2HE2 GLN 94 0.840 10.553 -7.523 694 H GLU 95 H GLU 95 0.098 10.247 -1.285 695 HA GLU 95 HA GLU 95 -1.105 7.803 -1.178 696 HB2 GLU 95 1HB GLU 95 -3.248 8.959 -1.037 697 HB3 GLU 95 2HB GLU 95 -2.020 9.821 -0.121 698 HG2 GLU 95 1HG GLU 95 -1.759 11.396 -1.989 699 HG3 GLU 95 2HG GLU 95 -3.040 10.551 -2.856 700 H HIS 96 H HIS 96 -2.121 6.438 -2.531 701 HA HIS 96 HA HIS 96 -2.455 7.301 -5.330 702 HB2 HIS 96 1HB HIS 96 -0.661 5.657 -5.116 703 HB3 HIS 96 2HB HIS 96 -1.748 4.555 -4.275 704 HD1 HIS 96 1HD HIS 96 -2.133 6.441 -7.564 705 HD2 HIS 96 2HD HIS 96 -2.330 2.587 -6.025 706 HE1 HIS 96 1HE HIS 96 -2.812 4.980 -9.495 707 HE2 HIS 96 2HE HIS 96 -3.008 2.666 -8.520 708 H HIS 97 H HIS 97 -4.216 6.362 -6.510 709 HA HIS 97 HA HIS 97 -6.399 5.392 -4.784 710 HB2 HIS 97 1HB HIS 97 -6.787 7.072 -7.261 711 HB3 HIS 97 2HB HIS 97 -7.983 6.665 -6.035 712 HD1 HIS 97 1HD HIS 97 -7.113 9.599 -6.938 713 HD2 HIS 97 2HD HIS 97 -5.908 7.607 -3.497 714 HE1 HIS 97 1HE HIS 97 -6.444 11.402 -5.317 715 HE2 HIS 97 2HE HIS 97 -5.637 10.170 -3.273 716 H SER 98 H SER 98 -6.384 3.252 -5.214 717 HA SER 98 HA SER 98 -5.940 2.220 -7.858 718 HB2 SER 98 1HB SER 98 -5.159 0.815 -6.132 719 HB3 SER 98 2HB SER 98 -6.656 0.966 -5.213 720 HG SER 98 HG SER 98 -6.673 -0.182 -7.782 721 H GLN 99 H GLN 99 -7.400 1.634 -9.352 722 HA GLN 99 HA GLN 99 -10.243 1.951 -8.657 723 HB2 GLN 99 1HB GLN 99 -10.637 2.483 -11.002 724 HB3 GLN 99 2HB GLN 99 -9.419 3.556 -10.327 725 HG2 GLN 99 1HG GLN 99 -8.534 3.017 -12.383 726 HG3 GLN 99 2HG GLN 99 -7.725 1.878 -11.308 727 HE21 GLN 99 1HE2 GLN 99 -7.344 0.623 -13.223 728 HE22 GLN 99 2HE2 GLN 99 -8.584 -0.413 -13.836 729 H THR 100 H THR 100 -11.567 0.258 -8.835 730 HA THR 100 HA THR 100 -10.470 -2.232 -9.927 731 HB THR 100 HB THR 100 -12.317 -3.355 -8.722 732 HG1 THR 100 1HG THR 100 -13.742 -1.484 -8.751 733 HG21 THR 100 1HG2 THR 100 -10.168 -1.819 -7.482 734 HG22 THR 100 2HG2 THR 100 -10.658 -3.493 -7.219 735 HG23 THR 100 3HG2 THR 100 -11.486 -2.187 -6.370 736 H GLN 101 H GLN 101 -11.016 -2.729 -11.940 737 HA GLN 101 HA GLN 101 -12.975 -1.455 -13.459 738 HB2 GLN 101 1HB GLN 101 -12.601 -3.157 -15.125 739 HB3 GLN 101 2HB GLN 101 -11.061 -2.743 -14.382 740 HG2 GLN 101 1HG GLN 101 -11.447 -4.758 -12.868 741 HG3 GLN 101 2HG GLN 101 -12.711 -5.216 -14.008 742 HE21 GLN 101 1HE2 GLN 101 -9.417 -3.917 -14.286 743 HE22 GLN 101 2HE2 GLN 101 -8.859 -5.109 -15.404 744 H LEU 102 H LEU 102 -15.113 -1.599 -13.475 745 HA LEU 102 HA LEU 102 -16.426 -3.674 -11.930 746 HB2 LEU 102 1HB LEU 102 -17.386 -1.186 -13.311 747 HB3 LEU 102 2HB LEU 102 -18.500 -2.356 -12.608 748 HG LEU 102 HG LEU 102 -16.995 -1.927 -10.461 749 HD11 LEU 102 1HD1 LEU 102 -16.511 0.548 -10.387 750 HD12 LEU 102 2HD1 LEU 102 -16.672 0.544 -12.143 751 HD13 LEU 102 3HD1 LEU 102 -15.416 -0.424 -11.370 752 HD21 LEU 102 1HD2 LEU 102 -18.748 -0.686 -9.627 753 HD22 LEU 102 2HD2 LEU 102 -19.506 -1.484 -11.005 754 HD23 LEU 102 3HD2 LEU 102 -18.983 0.196 -11.136 755 H ASP 103 H ASP 103 -15.147 -4.694 -14.179 756 HA ASP 103 HA ASP 103 -17.354 -6.004 -15.471 757 HB2 ASP 103 1HB ASP 103 -16.724 -5.415 -17.768 758 HB3 ASP 103 2HB ASP 103 -17.192 -3.984 -16.854 759 H SER 104 H SER 104 -16.527 -7.642 -17.104 760 HA SER 104 HA SER 104 -13.936 -8.695 -16.172 761 HB2 SER 104 1HB SER 104 -15.765 -10.129 -15.461 762 HB3 SER 104 2HB SER 104 -16.394 -10.196 -17.107 763 HG SER 104 HG SER 104 -13.750 -10.989 -16.664 764 H GLY 105 H GLY 105 -12.398 -8.524 -17.655 765 HA2 GLY 105 1HA GLY 105 -12.264 -9.697 -20.089 766 HA3 GLY 105 2HA GLY 105 -13.046 -8.165 -20.448 767 HA PRO 106 HA PRO 106 -8.376 -7.708 -20.528 768 HB2 PRO 106 1HB PRO 106 -8.213 -6.859 -23.101 769 HB3 PRO 106 2HB PRO 106 -8.152 -8.566 -22.647 770 HG2 PRO 106 1HG PRO 106 -10.459 -6.963 -23.682 771 HG3 PRO 106 2HG PRO 106 -9.950 -8.603 -24.122 772 HD2 PRO 106 1HD PRO 106 -11.992 -8.121 -22.411 773 HD3 PRO 106 2HD PRO 106 -10.941 -9.544 -22.266 774 H SER 107 H SER 107 -7.223 -5.736 -20.581 775 HA SER 107 HA SER 107 -8.950 -3.351 -20.541 776 HB2 SER 107 1HB SER 107 -7.954 -3.791 -18.373 777 HB3 SER 107 2HB SER 107 -6.348 -3.901 -19.094 778 HG SER 107 HG SER 107 -7.998 -1.618 -18.826 779 H SER 108 H SER 108 -8.105 -1.370 -21.374 780 HA SER 108 HA SER 108 -5.785 -1.604 -23.148 781 HB2 SER 108 1HB SER 108 -8.488 -0.553 -24.019 782 HB3 SER 108 2HB SER 108 -7.016 -0.516 -24.988 783 HG SER 108 HG SER 108 -7.108 -2.949 -24.440 784 H GLY 109 H GLY 109 -4.667 0.303 -23.500 785 HA2 GLY 109 1HA GLY 109 -3.785 2.296 -22.722 786 HA3 GLY 109 2HA GLY 109 -5.374 2.894 -23.177 Start of MODEL 15 1 H1 GLY 1 H GLY 1 18.225 25.499 9.998 2 HA2 GLY 1 1HA GLY 1 15.448 26.408 9.552 3 HA3 GLY 1 2HA GLY 1 16.369 25.509 8.356 4 H SER 2 H SER 2 13.976 25.229 10.558 5 HA SER 2 HA SER 2 14.442 22.924 12.007 6 HB2 SER 2 1HB SER 2 11.871 23.895 10.742 7 HB3 SER 2 2HB SER 2 11.957 22.590 11.925 8 HG SER 2 HG SER 2 12.339 23.996 13.473 9 H SER 3 H SER 3 15.583 21.355 10.925 10 HA SER 3 HA SER 3 14.080 19.911 8.850 11 HB2 SER 3 1HB SER 3 17.067 20.407 8.841 12 HB3 SER 3 2HB SER 3 16.182 19.432 7.667 13 HG SER 3 HG SER 3 15.441 21.195 6.739 14 H GLY 4 H GLY 4 14.852 17.632 8.587 15 HA2 GLY 4 1HA GLY 4 16.476 16.170 10.173 16 HA3 GLY 4 2HA GLY 4 15.078 16.428 11.207 17 H SER 5 H SER 5 16.141 15.068 8.131 18 HA SER 5 HA SER 5 13.681 13.822 7.482 19 HB2 SER 5 1HB SER 5 16.482 13.071 6.610 20 HB3 SER 5 2HB SER 5 14.984 12.546 5.840 21 HG SER 5 HG SER 5 15.542 14.273 4.670 22 H SER 6 H SER 6 12.741 12.360 8.745 23 HA SER 6 HA SER 6 14.367 10.517 10.315 24 HB2 SER 6 1HB SER 6 11.359 10.849 10.297 25 HB3 SER 6 2HB SER 6 12.316 9.969 11.488 26 HG SER 6 HG SER 6 11.999 12.721 11.129 27 H GLY 7 H GLY 7 14.913 8.617 9.489 28 HA2 GLY 7 1HA GLY 7 14.738 6.581 8.431 29 HA3 GLY 7 2HA GLY 7 13.004 6.850 8.337 30 HA PRO 8 HA PRO 8 14.785 6.968 4.042 31 HB2 PRO 8 1HB PRO 8 12.973 5.248 2.979 32 HB3 PRO 8 2HB PRO 8 14.473 4.711 3.745 33 HG2 PRO 8 1HG PRO 8 11.701 4.813 4.872 34 HG3 PRO 8 2HG PRO 8 12.923 3.536 5.020 35 HD2 PRO 8 1HD PRO 8 12.449 5.335 6.988 36 HD3 PRO 8 2HD PRO 8 14.057 4.642 6.694 37 HA PRO 9 HA PRO 9 11.850 9.809 2.415 38 HB2 PRO 9 1HB PRO 9 11.951 9.300 -0.250 39 HB3 PRO 9 2HB PRO 9 13.261 10.102 0.625 40 HG2 PRO 9 1HG PRO 9 13.013 7.237 -0.207 41 HG3 PRO 9 2HG PRO 9 14.423 8.308 -0.292 42 HD2 PRO 9 1HD PRO 9 14.107 6.470 1.671 43 HD3 PRO 9 2HD PRO 9 14.937 8.016 1.936 44 H ALA 10 H ALA 10 9.737 10.042 1.638 45 HA ALA 10 HA ALA 10 7.962 7.946 2.113 46 HB1 ALA 10 1HB ALA 10 6.378 9.502 1.841 47 HB2 ALA 10 2HB ALA 10 7.722 10.633 1.679 48 HB3 ALA 10 3HB ALA 10 6.963 9.954 0.240 49 H VAL 11 H VAL 11 7.464 6.201 0.971 50 HA VAL 11 HA VAL 11 8.579 5.299 -1.309 51 HB VAL 11 HB VAL 11 5.696 4.883 -0.506 52 HG11 VAL 11 1HG1 VAL 11 7.410 3.199 -2.329 53 HG12 VAL 11 2HG1 VAL 11 5.731 2.897 -1.878 54 HG13 VAL 11 3HG1 VAL 11 6.141 4.298 -2.867 55 HG21 VAL 11 1HG2 VAL 11 7.719 4.276 1.043 56 HG22 VAL 11 2HG2 VAL 11 6.384 3.142 0.833 57 HG23 VAL 11 3HG2 VAL 11 7.888 2.909 -0.059 58 H SER 12 H SER 12 8.212 5.369 -3.513 59 HA SER 12 HA SER 12 6.238 7.312 -4.488 60 HB2 SER 12 1HB SER 12 7.882 8.253 -6.050 61 HB3 SER 12 2HB SER 12 8.415 8.460 -4.381 62 HG SER 12 HG SER 12 9.705 7.279 -6.359 63 H ASP 13 H ASP 13 6.320 7.201 -7.050 64 HA ASP 13 HA ASP 13 5.538 5.934 -8.790 65 HB2 ASP 13 1HB ASP 13 7.963 4.268 -8.085 66 HB3 ASP 13 2HB ASP 13 7.159 4.337 -9.651 67 H ILE 14 H ILE 14 3.991 5.346 -6.715 68 HA ILE 14 HA ILE 14 3.917 2.427 -6.451 69 HB ILE 14 HB ILE 14 2.205 4.428 -4.981 70 HG12 ILE 14 1HG1 ILE 14 4.601 3.081 -3.777 71 HG13 ILE 14 2HG1 ILE 14 4.801 4.567 -4.699 72 HG21 ILE 14 1HG2 ILE 14 2.633 2.127 -3.458 73 HG22 ILE 14 2HG2 ILE 14 1.151 2.601 -4.286 74 HG23 ILE 14 3HG2 ILE 14 2.317 1.555 -5.096 75 HD11 ILE 14 1HD1 ILE 14 4.519 5.513 -2.683 76 HD12 ILE 14 2HD1 ILE 14 2.808 5.302 -3.056 77 HD13 ILE 14 3HD1 ILE 14 3.640 4.129 -2.035 78 H ARG 15 H ARG 15 3.080 1.889 -8.480 79 HA ARG 15 HA ARG 15 0.371 2.873 -9.067 80 HB2 ARG 15 1HB ARG 15 2.409 1.544 -10.861 81 HB3 ARG 15 2HB ARG 15 0.781 1.983 -11.359 82 HG2 ARG 15 1HG ARG 15 1.255 4.318 -11.026 83 HG3 ARG 15 2HG ARG 15 2.846 3.934 -10.365 84 HD2 ARG 15 1HD ARG 15 3.273 4.553 -12.579 85 HD3 ARG 15 2HD ARG 15 3.298 2.791 -12.607 86 HE ARG 15 HE ARG 15 0.718 3.856 -13.218 87 HH11 ARG 15 2HH1 ARG 15 3.858 3.143 -14.540 88 HH12 ARG 15 1HH1 ARG 15 3.281 2.977 -16.165 89 HH21 ARG 15 2HH2 ARG 15 -0.055 3.641 -15.354 90 HH22 ARG 15 1HH2 ARG 15 1.055 3.261 -16.627 91 H VAL 16 H VAL 16 -1.137 1.274 -10.023 92 HA VAL 16 HA VAL 16 -0.905 -1.285 -8.597 93 HB VAL 16 HB VAL 16 -3.366 0.034 -9.754 94 HG11 VAL 16 1HG1 VAL 16 -2.947 -2.640 -9.191 95 HG12 VAL 16 2HG1 VAL 16 -3.766 -2.029 -7.752 96 HG13 VAL 16 3HG1 VAL 16 -4.508 -1.835 -9.341 97 HG21 VAL 16 1HG2 VAL 16 -2.007 0.252 -7.166 98 HG22 VAL 16 2HG2 VAL 16 -3.170 1.335 -7.933 99 HG23 VAL 16 3HG2 VAL 16 -3.734 -0.089 -7.058 100 H THR 17 H THR 17 0.296 -2.479 -10.055 101 HA THR 17 HA THR 17 -0.778 -2.795 -12.766 102 HB THR 17 HB THR 17 1.652 -2.287 -12.509 103 HG1 THR 17 1HG THR 17 1.707 -3.318 -14.347 104 HG21 THR 17 1HG2 THR 17 3.167 -3.933 -11.655 105 HG22 THR 17 2HG2 THR 17 1.861 -5.094 -11.423 106 HG23 THR 17 3HG2 THR 17 1.942 -3.646 -10.421 107 H ARG 18 H ARG 18 -1.070 -4.903 -13.663 108 HA ARG 18 HA ARG 18 -1.739 -7.081 -13.673 109 HB2 ARG 18 1HB ARG 18 0.396 -7.285 -12.220 110 HB3 ARG 18 2HB ARG 18 -0.720 -7.412 -10.867 111 HG2 ARG 18 1HG ARG 18 -1.820 -9.278 -12.319 112 HG3 ARG 18 2HG ARG 18 -0.246 -9.306 -13.116 113 HD2 ARG 18 1HD ARG 18 -0.371 -9.379 -10.138 114 HD3 ARG 18 2HD ARG 18 -0.739 -10.845 -11.047 115 HE ARG 18 HE ARG 18 1.824 -9.779 -10.563 116 HH11 ARG 18 2HH1 ARG 18 -0.061 -11.268 -13.083 117 HH12 ARG 18 1HH1 ARG 18 1.314 -11.952 -13.886 118 HH21 ARG 18 2HH2 ARG 18 3.641 -10.675 -11.611 119 HH22 ARG 18 1HH2 ARG 18 3.419 -11.615 -13.047 120 H SER 19 H SER 19 -3.665 -5.300 -13.168 121 HA SER 19 HA SER 19 -5.100 -5.386 -10.822 122 HB2 SER 19 1HB SER 19 -7.088 -4.846 -12.175 123 HB3 SER 19 2HB SER 19 -5.684 -3.917 -12.701 124 HG SER 19 HG SER 19 -7.185 -5.688 -14.087 125 H SER 20 H SER 20 -6.967 -6.583 -10.163 126 HA SER 20 HA SER 20 -7.690 -9.026 -11.465 127 HB2 SER 20 1HB SER 20 -6.064 -9.162 -8.916 128 HB3 SER 20 2HB SER 20 -6.983 -10.515 -9.577 129 HG SER 20 HG SER 20 -4.808 -10.593 -10.241 130 HA PRO 21 HA PRO 21 -11.375 -8.328 -9.183 131 HB2 PRO 21 1HB PRO 21 -12.397 -10.842 -9.099 132 HB3 PRO 21 2HB PRO 21 -12.371 -9.864 -10.571 133 HG2 PRO 21 1HG PRO 21 -10.508 -12.044 -9.713 134 HG3 PRO 21 2HG PRO 21 -11.214 -11.740 -11.311 135 HD2 PRO 21 1HD PRO 21 -8.679 -11.028 -10.679 136 HD3 PRO 21 2HD PRO 21 -9.676 -10.100 -11.818 137 H SER 22 H SER 22 -11.708 -8.012 -7.079 138 HA SER 22 HA SER 22 -11.590 -8.202 -4.815 139 HB2 SER 22 1HB SER 22 -11.425 -11.171 -5.386 140 HB3 SER 22 2HB SER 22 -11.890 -10.426 -3.857 141 HG SER 22 HG SER 22 -13.567 -9.355 -5.313 142 H SER 23 H SER 23 -9.123 -7.954 -6.383 143 HA SER 23 HA SER 23 -7.261 -8.368 -4.257 144 HB2 SER 23 1HB SER 23 -5.734 -9.740 -5.944 145 HB3 SER 23 2HB SER 23 -6.884 -10.553 -4.882 146 HG SER 23 HG SER 23 -7.206 -11.336 -6.932 147 H LEU 24 H LEU 24 -5.468 -7.086 -4.466 148 HA LEU 24 HA LEU 24 -5.039 -5.731 -7.032 149 HB2 LEU 24 1HB LEU 24 -5.190 -4.339 -4.362 150 HB3 LEU 24 2HB LEU 24 -4.797 -3.583 -5.905 151 HG LEU 24 HG LEU 24 -7.449 -4.902 -5.365 152 HD11 LEU 24 1HD1 LEU 24 -6.717 -2.878 -3.856 153 HD12 LEU 24 2HD1 LEU 24 -8.340 -2.965 -4.539 154 HD13 LEU 24 3HD1 LEU 24 -7.117 -1.946 -5.299 155 HD21 LEU 24 1HD2 LEU 24 -8.152 -3.422 -7.232 156 HD22 LEU 24 2HD2 LEU 24 -6.954 -4.630 -7.699 157 HD23 LEU 24 3HD2 LEU 24 -6.464 -2.954 -7.445 158 H SER 25 H SER 25 -2.985 -5.871 -7.620 159 HA SER 25 HA SER 25 -0.976 -6.576 -5.620 160 HB2 SER 25 1HB SER 25 -0.682 -6.480 -8.630 161 HB3 SER 25 2HB SER 25 0.424 -7.232 -7.480 162 HG SER 25 HG SER 25 -2.266 -8.040 -7.572 163 H LEU 26 H LEU 26 0.464 -5.168 -4.870 164 HA LEU 26 HA LEU 26 0.744 -2.590 -6.265 165 HB2 LEU 26 1HB LEU 26 1.403 -3.108 -3.380 166 HB3 LEU 26 2HB LEU 26 1.181 -1.556 -4.186 167 HG LEU 26 HG LEU 26 -1.126 -3.441 -4.014 168 HD11 LEU 26 1HD1 LEU 26 -1.497 -3.188 -1.820 169 HD12 LEU 26 2HD1 LEU 26 -0.910 -1.526 -1.808 170 HD13 LEU 26 3HD1 LEU 26 0.235 -2.866 -1.733 171 HD21 LEU 26 1HD2 LEU 26 -2.415 -1.489 -4.170 172 HD22 LEU 26 2HD2 LEU 26 -1.078 -1.235 -5.293 173 HD23 LEU 26 3HD2 LEU 26 -1.062 -0.454 -3.711 174 H ALA 27 H ALA 27 2.835 -1.591 -6.290 175 HA ALA 27 HA ALA 27 5.181 -2.924 -5.417 176 HB1 ALA 27 1HB ALA 27 4.290 -4.257 -7.490 177 HB2 ALA 27 2HB ALA 27 5.036 -2.938 -8.394 178 HB3 ALA 27 3HB ALA 27 6.013 -3.925 -7.307 179 H TRP 28 H TRP 28 6.615 -1.365 -5.079 180 HA TRP 28 HA TRP 28 6.460 1.063 -6.742 181 HB2 TRP 28 1HB TRP 28 7.703 2.044 -4.636 182 HB3 TRP 28 2HB TRP 28 5.951 1.862 -4.638 183 HD1 TRP 28 HD TRP 28 8.808 1.185 -2.505 184 HE1 TRP 28 1HE TRP 28 8.251 -0.572 -0.708 185 HE3 TRP 28 3HE TRP 28 4.465 -0.650 -4.482 186 HZ2 TRP 28 2HZ TRP 28 6.237 -2.483 -0.197 187 HZ3 TRP 28 3HZ TRP 28 3.285 -2.442 -3.277 188 HH2 TRP 28 HH TRP 28 4.155 -3.339 -1.180 189 H ALA 29 H ALA 29 8.592 2.298 -6.778 190 HA ALA 29 HA ALA 29 10.676 0.423 -7.571 191 HB1 ALA 29 1HB ALA 29 10.587 3.420 -7.898 192 HB2 ALA 29 2HB ALA 29 11.725 2.307 -8.660 193 HB3 ALA 29 3HB ALA 29 10.016 2.253 -9.091 194 H VAL 30 H VAL 30 12.453 0.030 -6.417 195 HA VAL 30 HA VAL 30 12.808 0.743 -3.790 196 HB VAL 30 HB VAL 30 15.033 0.140 -5.742 197 HG11 VAL 30 1HG1 VAL 30 16.200 -0.716 -3.741 198 HG12 VAL 30 2HG1 VAL 30 15.878 1.017 -3.654 199 HG13 VAL 30 3HG1 VAL 30 14.878 -0.114 -2.741 200 HG21 VAL 30 1HG2 VAL 30 14.750 -2.195 -5.039 201 HG22 VAL 30 2HG2 VAL 30 13.346 -1.729 -4.079 202 HG23 VAL 30 3HG2 VAL 30 13.305 -1.570 -5.835 203 HA PRO 31 HA PRO 31 13.823 5.091 -4.422 204 HB2 PRO 31 1HB PRO 31 13.548 5.761 -1.805 205 HB3 PRO 31 2HB PRO 31 12.172 5.580 -2.900 206 HG2 PRO 31 1HG PRO 31 13.265 3.644 -0.895 207 HG3 PRO 31 2HG PRO 31 11.577 4.058 -1.246 208 HD2 PRO 31 1HD PRO 31 12.755 1.815 -2.202 209 HD3 PRO 31 2HD PRO 31 11.492 2.686 -3.096 210 H ARG 32 H ARG 32 15.333 6.582 -3.069 211 HA ARG 32 HA ARG 32 17.695 5.033 -2.232 212 HB2 ARG 32 1HB ARG 32 19.076 6.890 -3.175 213 HB3 ARG 32 2HB ARG 32 18.182 5.977 -4.383 214 HG2 ARG 32 1HG ARG 32 16.453 7.768 -4.361 215 HG3 ARG 32 2HG ARG 32 17.507 8.698 -3.294 216 HD2 ARG 32 1HD ARG 32 18.417 7.663 -5.966 217 HD3 ARG 32 2HD ARG 32 17.626 9.228 -5.778 218 HE ARG 32 HE ARG 32 20.328 8.585 -5.128 219 HH11 ARG 32 2HH1 ARG 32 17.631 10.598 -4.235 220 HH12 ARG 32 1HH1 ARG 32 18.621 11.844 -3.548 221 HH21 ARG 32 2HH2 ARG 32 21.641 10.218 -4.227 222 HH22 ARG 32 1HH2 ARG 32 20.901 11.627 -3.544 223 H ALA 33 H ALA 33 18.535 5.534 -0.304 224 HA ALA 33 HA ALA 33 17.625 8.020 0.994 225 HB1 ALA 33 1HB ALA 33 17.619 5.237 1.943 226 HB2 ALA 33 2HB ALA 33 18.202 6.431 3.103 227 HB3 ALA 33 3HB ALA 33 16.593 6.597 2.399 228 HA PRO 34 HA PRO 34 21.871 9.089 1.449 229 HB2 PRO 34 1HB PRO 34 21.669 10.790 3.555 230 HB3 PRO 34 2HB PRO 34 21.131 11.212 1.925 231 HG2 PRO 34 1HG PRO 34 19.522 10.266 4.266 232 HG3 PRO 34 2HG PRO 34 19.157 11.557 3.105 233 HD2 PRO 34 1HD PRO 34 18.052 9.091 2.936 234 HD3 PRO 34 2HD PRO 34 18.408 10.078 1.504 235 H SER 35 H SER 35 20.071 7.503 3.907 236 HA SER 35 HA SER 35 22.566 6.853 5.338 237 HB2 SER 35 1HB SER 35 21.393 6.741 7.382 238 HB3 SER 35 2HB SER 35 20.746 8.178 6.589 239 HG SER 35 HG SER 35 19.209 6.576 7.537 240 H GLY 36 H GLY 36 23.192 4.801 5.239 241 HA2 GLY 36 1HA GLY 36 23.166 2.595 4.530 242 HA3 GLY 36 2HA GLY 36 21.837 2.512 5.676 243 H ALA 37 H ALA 37 20.293 1.321 4.767 244 HA ALA 37 HA ALA 37 19.053 2.252 2.331 245 HB1 ALA 37 1HB ALA 37 19.195 0.049 1.200 246 HB2 ALA 37 2HB ALA 37 20.755 0.857 1.363 247 HB3 ALA 37 3HB ALA 37 20.334 -0.474 2.441 248 H VAL 38 H VAL 38 16.971 1.340 1.972 249 HA VAL 38 HA VAL 38 15.476 0.858 4.278 250 HB VAL 38 HB VAL 38 14.755 0.115 1.439 251 HG11 VAL 38 1HG1 VAL 38 12.419 0.372 2.272 252 HG12 VAL 38 2HG1 VAL 38 13.286 -0.997 2.971 253 HG13 VAL 38 3HG1 VAL 38 13.066 0.481 3.909 254 HG21 VAL 38 1HG2 VAL 38 15.389 2.497 1.773 255 HG22 VAL 38 2HG2 VAL 38 13.711 2.272 1.279 256 HG23 VAL 38 3HG2 VAL 38 14.094 2.632 2.963 257 H LEU 39 H LEU 39 14.554 -0.988 5.162 258 HA LEU 39 HA LEU 39 15.820 -3.520 4.348 259 HB2 LEU 39 1HB LEU 39 14.677 -2.880 7.057 260 HB3 LEU 39 2HB LEU 39 15.677 -4.260 6.608 261 HG LEU 39 HG LEU 39 16.682 -1.422 6.552 262 HD11 LEU 39 1HD1 LEU 39 17.590 -1.709 8.714 263 HD12 LEU 39 2HD1 LEU 39 17.136 -3.412 8.760 264 HD13 LEU 39 3HD1 LEU 39 15.890 -2.166 8.829 265 HD21 LEU 39 1HD2 LEU 39 18.208 -4.007 6.764 266 HD22 LEU 39 2HD2 LEU 39 18.837 -2.396 6.418 267 HD23 LEU 39 3HD2 LEU 39 17.840 -3.229 5.224 268 H ASP 40 H ASP 40 12.875 -2.341 5.985 269 HA ASP 40 HA ASP 40 11.351 -4.356 4.470 270 HB2 ASP 40 1HB ASP 40 11.703 -4.757 7.016 271 HB3 ASP 40 2HB ASP 40 10.518 -3.469 7.216 272 H TYR 41 H TYR 41 8.858 -3.763 4.802 273 HA TYR 41 HA TYR 41 8.462 -0.876 4.572 274 HB2 TYR 41 1HB TYR 41 7.536 -2.830 2.456 275 HB3 TYR 41 2HB TYR 41 7.216 -1.100 2.480 276 HD1 TYR 41 1HD TYR 41 9.937 -3.611 2.228 277 HD2 TYR 41 2HD TYR 41 8.756 0.422 1.559 278 HE1 TYR 41 1HE TYR 41 12.015 -3.217 0.972 279 HE2 TYR 41 2HE TYR 41 10.830 0.826 0.300 280 HH TYR 41 HH TYR 41 12.830 -1.644 -0.792 281 H GLU 42 H GLU 42 6.029 -0.416 4.280 282 HA GLU 42 HA GLU 42 4.369 -2.413 5.631 283 HB2 GLU 42 1HB GLU 42 5.443 -0.557 7.179 284 HB3 GLU 42 2HB GLU 42 4.136 0.424 6.532 285 HG2 GLU 42 1HG GLU 42 3.122 -0.399 8.389 286 HG3 GLU 42 2HG GLU 42 2.677 -1.649 7.229 287 H VAL 43 H VAL 43 2.253 -2.411 5.017 288 HA VAL 43 HA VAL 43 1.469 -0.388 3.019 289 HB VAL 43 HB VAL 43 0.707 -3.306 3.165 290 HG11 VAL 43 1HG1 VAL 43 -0.341 -2.503 0.837 291 HG12 VAL 43 2HG1 VAL 43 -1.255 -2.520 2.346 292 HG13 VAL 43 3HG1 VAL 43 -0.537 -1.017 1.766 293 HG21 VAL 43 1HG2 VAL 43 2.364 -1.680 1.254 294 HG22 VAL 43 2HG2 VAL 43 2.842 -3.104 2.178 295 HG23 VAL 43 3HG2 VAL 43 1.711 -3.263 0.835 296 H LYS 44 H LYS 44 -0.417 0.666 3.289 297 HA LYS 44 HA LYS 44 -2.270 -0.281 5.362 298 HB2 LYS 44 1HB LYS 44 -1.010 1.424 6.465 299 HB3 LYS 44 2HB LYS 44 -1.128 2.497 5.077 300 HG2 LYS 44 1HG LYS 44 -3.653 2.444 5.488 301 HG3 LYS 44 2HG LYS 44 -3.246 1.761 7.064 302 HD2 LYS 44 1HD LYS 44 -1.820 4.221 6.193 303 HD3 LYS 44 2HD LYS 44 -3.506 4.372 6.695 304 HE2 LYS 44 1HE LYS 44 -3.042 3.554 8.854 305 HE3 LYS 44 2HE LYS 44 -1.462 2.940 8.369 306 HZ1 LYS 44 1HZ LYS 44 -2.185 5.537 9.303 307 HZ2 LYS 44 2HZ LYS 44 -1.358 5.619 7.831 308 HZ3 LYS 44 3HZ LYS 44 -0.652 4.838 9.155 309 H TYR 45 H TYR 45 -4.111 -0.696 4.337 310 HA TYR 45 HA TYR 45 -5.068 1.255 2.349 311 HB2 TYR 45 1HB TYR 45 -6.131 -0.616 1.136 312 HB3 TYR 45 2HB TYR 45 -4.380 -0.777 1.197 313 HD1 TYR 45 2HD TYR 45 -3.375 -2.376 2.886 314 HD2 TYR 45 1HD TYR 45 -7.531 -2.312 1.976 315 HE1 TYR 45 2HE TYR 45 -3.610 -4.635 3.830 316 HE2 TYR 45 1HE TYR 45 -7.778 -4.570 2.920 317 HH TYR 45 HH TYR 45 -6.766 -6.162 4.176 318 H HIS 46 H HIS 46 -7.144 1.925 2.531 319 HA HIS 46 HA HIS 46 -9.063 0.490 4.136 320 HB2 HIS 46 1HB HIS 46 -9.274 1.927 5.923 321 HB3 HIS 46 2HB HIS 46 -7.539 2.037 5.640 322 HD1 HIS 46 1HD HIS 46 -10.575 4.057 5.820 323 HD2 HIS 46 2HD HIS 46 -6.772 4.442 4.192 324 HE1 HIS 46 1HE HIS 46 -10.290 6.511 5.352 325 HE2 HIS 46 2HE HIS 46 -8.015 6.709 4.289 326 H GLU 47 H GLU 47 -11.059 0.804 3.362 327 HA GLU 47 HA GLU 47 -11.612 2.081 1.008 328 HB2 GLU 47 1HB GLU 47 -13.063 0.486 2.484 329 HB3 GLU 47 2HB GLU 47 -13.717 1.980 3.139 330 HG2 GLU 47 1HG GLU 47 -14.468 2.664 0.958 331 HG3 GLU 47 2HG GLU 47 -13.699 1.262 0.217 332 H LYS 48 H LYS 48 -12.070 4.099 0.345 333 HA LYS 48 HA LYS 48 -11.265 6.351 1.615 334 HB2 LYS 48 1HB LYS 48 -12.079 6.133 -0.770 335 HB3 LYS 48 2HB LYS 48 -13.716 6.298 -0.147 336 HG2 LYS 48 1HG LYS 48 -13.339 8.511 0.552 337 HG3 LYS 48 2HG LYS 48 -11.590 8.353 0.374 338 HD2 LYS 48 1HD LYS 48 -12.195 7.864 -2.128 339 HD3 LYS 48 2HD LYS 48 -13.692 8.704 -1.719 340 HE2 LYS 48 1HE LYS 48 -10.953 9.841 -1.197 341 HE3 LYS 48 2HE LYS 48 -11.862 10.144 -2.677 342 HZ1 LYS 48 1HZ LYS 48 -13.618 11.138 -1.372 343 HZ2 LYS 48 2HZ LYS 48 -12.151 11.914 -1.043 344 HZ3 LYS 48 3HZ LYS 48 -12.789 10.808 0.066 345 H GLY 49 H GLY 49 -14.746 5.595 1.366 346 HA2 GLY 49 1HA GLY 49 -15.390 7.345 3.538 347 HA3 GLY 49 2HA GLY 49 -16.498 6.259 2.711 348 H ALA 50 H ALA 50 -13.954 6.386 5.166 349 HA ALA 50 HA ALA 50 -15.418 4.446 6.754 350 HB1 ALA 50 1HB ALA 50 -12.685 3.907 5.637 351 HB2 ALA 50 2HB ALA 50 -13.255 3.133 7.117 352 HB3 ALA 50 3HB ALA 50 -14.118 2.879 5.600 353 H GLU 51 H GLU 51 -14.668 4.323 8.961 354 HA GLU 51 HA GLU 51 -12.698 6.279 9.819 355 HB2 GLU 51 1HB GLU 51 -15.633 6.500 10.405 356 HB3 GLU 51 2HB GLU 51 -14.451 7.110 11.553 357 HG2 GLU 51 1HG GLU 51 -13.487 8.465 9.661 358 HG3 GLU 51 2HG GLU 51 -14.908 8.006 8.725 359 H GLY 52 H GLY 52 -11.616 5.610 11.581 360 HA2 GLY 52 1HA GLY 52 -11.958 4.569 13.864 361 HA3 GLY 52 2HA GLY 52 -12.680 3.235 12.977 362 HA PRO 53 HA PRO 53 -7.916 2.932 13.413 363 HB2 PRO 53 1HB PRO 53 -7.753 1.330 15.598 364 HB3 PRO 53 2HB PRO 53 -7.725 3.094 15.696 365 HG2 PRO 53 1HG PRO 53 -10.004 1.208 16.153 366 HG3 PRO 53 2HG PRO 53 -9.532 2.639 17.087 367 HD2 PRO 53 1HD PRO 53 -11.553 2.677 15.285 368 HD3 PRO 53 2HD PRO 53 -10.530 4.093 15.602 369 H SER 54 H SER 54 -10.571 0.671 13.861 370 HA SER 54 HA SER 54 -9.021 -1.600 12.971 371 HB2 SER 54 1HB SER 54 -11.795 -1.153 13.956 372 HB3 SER 54 2HB SER 54 -11.517 -2.559 12.927 373 HG SER 54 HG SER 54 -11.051 -2.387 15.481 374 H SER 55 H SER 55 -11.289 0.690 11.623 375 HA SER 55 HA SER 55 -12.146 -0.558 9.335 376 HB2 SER 55 1HB SER 55 -11.517 2.293 9.990 377 HB3 SER 55 2HB SER 55 -11.902 1.868 8.322 378 HG SER 55 HG SER 55 -13.854 0.924 9.140 379 H VAL 56 H VAL 56 -9.031 0.998 9.917 380 HA VAL 56 HA VAL 56 -8.120 0.397 7.222 381 HB VAL 56 HB VAL 56 -7.436 2.523 8.156 382 HG11 VAL 56 1HG1 VAL 56 -6.686 0.842 10.461 383 HG12 VAL 56 2HG1 VAL 56 -5.588 2.170 10.077 384 HG13 VAL 56 3HG1 VAL 56 -7.289 2.498 10.410 385 HG21 VAL 56 1HG2 VAL 56 -5.257 2.473 7.432 386 HG22 VAL 56 2HG2 VAL 56 -4.907 0.946 8.241 387 HG23 VAL 56 3HG2 VAL 56 -5.859 0.959 6.757 388 H ARG 57 H ARG 57 -6.468 -1.027 6.706 389 HA ARG 57 HA ARG 57 -5.807 -2.985 8.807 390 HB2 ARG 57 1HB ARG 57 -6.340 -3.307 5.868 391 HB3 ARG 57 2HB ARG 57 -5.386 -4.499 6.741 392 HG2 ARG 57 1HG ARG 57 -8.095 -3.683 7.718 393 HG3 ARG 57 2HG ARG 57 -7.906 -4.900 6.454 394 HD2 ARG 57 1HD ARG 57 -6.725 -6.350 7.882 395 HD3 ARG 57 2HD ARG 57 -6.439 -5.078 9.069 396 HE ARG 57 HE ARG 57 -8.552 -5.427 9.926 397 HH11 ARG 57 2HH1 ARG 57 -8.152 -7.203 6.958 398 HH12 ARG 57 1HH1 ARG 57 -9.600 -8.131 7.165 399 HH21 ARG 57 2HH2 ARG 57 -10.461 -6.642 10.210 400 HH22 ARG 57 1HH2 ARG 57 -10.914 -7.810 9.015 401 H PHE 58 H PHE 58 -3.718 -4.162 8.403 402 HA PHE 58 HA PHE 58 -1.709 -2.464 7.102 403 HB2 PHE 58 1HB PHE 58 -1.672 -3.467 9.942 404 HB3 PHE 58 2HB PHE 58 -0.191 -3.033 9.096 405 HD1 PHE 58 2HD PHE 58 -3.341 -1.765 10.484 406 HD2 PHE 58 1HD PHE 58 0.368 -0.751 8.659 407 HE1 PHE 58 2HE PHE 58 -3.688 0.593 11.097 408 HE2 PHE 58 1HE PHE 58 0.028 1.608 9.270 409 HZ PHE 58 HZ PHE 58 -2.003 2.283 10.490 410 H LEU 59 H LEU 59 0.018 -3.541 6.200 411 HA LEU 59 HA LEU 59 0.123 -6.455 6.514 412 HB2 LEU 59 1HB LEU 59 -1.100 -6.321 4.540 413 HB3 LEU 59 2HB LEU 59 -0.215 -4.905 3.977 414 HG LEU 59 HG LEU 59 1.794 -6.566 3.835 415 HD11 LEU 59 1HD1 LEU 59 -0.431 -8.527 3.398 416 HD12 LEU 59 2HD1 LEU 59 0.365 -8.364 4.963 417 HD13 LEU 59 3HD1 LEU 59 1.301 -8.827 3.543 418 HD21 LEU 59 1HD2 LEU 59 -0.424 -5.981 1.999 419 HD22 LEU 59 2HD2 LEU 59 0.558 -7.381 1.566 420 HD23 LEU 59 3HD2 LEU 59 1.316 -5.801 1.776 421 H LYS 60 H LYS 60 2.099 -6.957 7.160 422 HA LYS 60 HA LYS 60 4.330 -5.183 6.588 423 HB2 LYS 60 1HB LYS 60 4.014 -7.612 8.345 424 HB3 LYS 60 2HB LYS 60 5.574 -6.849 8.069 425 HG2 LYS 60 1HG LYS 60 5.038 -4.990 9.287 426 HG3 LYS 60 2HG LYS 60 3.306 -5.159 8.989 427 HD2 LYS 60 1HD LYS 60 3.151 -6.974 10.545 428 HD3 LYS 60 2HD LYS 60 4.906 -7.039 10.721 429 HE2 LYS 60 1HE LYS 60 3.323 -4.580 11.412 430 HE3 LYS 60 2HE LYS 60 3.570 -5.886 12.571 431 HZ1 LYS 60 1HZ LYS 60 5.634 -4.183 11.298 432 HZ2 LYS 60 2HZ LYS 60 6.008 -5.598 12.145 433 HZ3 LYS 60 3HZ LYS 60 5.263 -4.306 12.944 434 H THR 61 H THR 61 5.827 -5.529 5.077 435 HA THR 61 HA THR 61 6.299 -8.223 4.066 436 HB THR 61 HB THR 61 4.508 -7.089 2.639 437 HG1 THR 61 1HG THR 61 5.244 -8.316 1.056 438 HG21 THR 61 1HG2 THR 61 6.861 -5.564 1.534 439 HG22 THR 61 2HG2 THR 61 5.707 -4.861 2.668 440 HG23 THR 61 3HG2 THR 61 5.162 -5.416 1.085 441 H SER 62 H SER 62 8.396 -8.573 3.659 442 HA SER 62 HA SER 62 10.250 -6.364 3.996 443 HB2 SER 62 1HB SER 62 10.595 -8.556 5.149 444 HB3 SER 62 2HB SER 62 10.857 -9.299 3.571 445 HG SER 62 HG SER 62 12.646 -7.929 3.291 446 H GLU 63 H GLU 63 8.827 -6.054 1.675 447 HA GLU 63 HA GLU 63 10.936 -5.973 -0.266 448 HB2 GLU 63 1HB GLU 63 9.851 -7.308 -1.985 449 HB3 GLU 63 2HB GLU 63 10.158 -8.291 -0.560 450 HG2 GLU 63 1HG GLU 63 7.693 -7.571 0.038 451 HG3 GLU 63 2HG GLU 63 7.586 -7.359 -1.708 452 H ASN 64 H ASN 64 10.238 -4.888 -2.283 453 HA ASN 64 HA ASN 64 8.388 -2.757 -1.642 454 HB2 ASN 64 1HB ASN 64 9.206 -1.678 -3.641 455 HB3 ASN 64 2HB ASN 64 10.582 -2.327 -2.755 456 HD21 ASN 64 1HD2 ASN 64 10.731 -1.666 -5.426 457 HD22 ASN 64 2HD2 ASN 64 10.940 -3.106 -6.357 458 H ARG 65 H ARG 65 7.400 -5.511 -2.118 459 HA ARG 65 HA ARG 65 5.340 -4.800 -4.058 460 HB2 ARG 65 1HB ARG 65 5.504 -7.122 -5.050 461 HB3 ARG 65 2HB ARG 65 6.806 -6.018 -5.470 462 HG2 ARG 65 1HG ARG 65 8.179 -7.067 -3.672 463 HG3 ARG 65 2HG ARG 65 6.894 -8.259 -3.467 464 HD2 ARG 65 1HD ARG 65 7.165 -8.636 -6.011 465 HD3 ARG 65 2HD ARG 65 8.718 -7.827 -5.803 466 HE ARG 65 HE ARG 65 8.708 -9.757 -3.882 467 HH11 ARG 65 2HH1 ARG 65 8.257 -9.737 -7.334 468 HH12 ARG 65 1HH1 ARG 65 8.901 -11.330 -7.559 469 HH21 ARG 65 2HH2 ARG 65 9.558 -11.855 -4.165 470 HH22 ARG 65 1HH2 ARG 65 9.640 -12.534 -5.755 471 H ALA 66 H ALA 66 3.348 -5.579 -3.555 472 HA ALA 66 HA ALA 66 3.064 -7.706 -1.591 473 HB1 ALA 66 1HB ALA 66 2.706 -6.371 0.143 474 HB2 ALA 66 2HB ALA 66 2.845 -4.939 -0.879 475 HB3 ALA 66 3HB ALA 66 1.283 -5.735 -0.683 476 H GLU 67 H GLU 67 0.865 -8.490 -1.408 477 HA GLU 67 HA GLU 67 -0.870 -7.686 -3.645 478 HB2 GLU 67 1HB GLU 67 0.399 -9.826 -4.084 479 HB3 GLU 67 2HB GLU 67 -0.486 -10.540 -2.743 480 HG2 GLU 67 1HG GLU 67 -2.570 -10.254 -3.880 481 HG3 GLU 67 2HG GLU 67 -1.793 -9.334 -5.168 482 H LEU 68 H LEU 68 -2.789 -7.047 -2.947 483 HA LEU 68 HA LEU 68 -3.677 -7.822 -0.275 484 HB2 LEU 68 1HB LEU 68 -4.814 -5.789 -2.188 485 HB3 LEU 68 2HB LEU 68 -5.331 -6.045 -0.523 486 HG LEU 68 HG LEU 68 -2.607 -5.058 -1.368 487 HD11 LEU 68 1HD1 LEU 68 -3.276 -2.898 -0.816 488 HD12 LEU 68 2HD1 LEU 68 -4.713 -3.457 0.040 489 HD13 LEU 68 3HD1 LEU 68 -4.648 -3.539 -1.721 490 HD21 LEU 68 1HD2 LEU 68 -3.367 -4.544 1.356 491 HD22 LEU 68 2HD2 LEU 68 -1.945 -5.377 0.727 492 HD23 LEU 68 3HD2 LEU 68 -3.438 -6.273 1.013 493 H ARG 69 H ARG 69 -5.530 -8.944 0.143 494 HA ARG 69 HA ARG 69 -7.042 -9.930 -2.186 495 HB2 ARG 69 1HB ARG 69 -6.172 -11.454 0.272 496 HB3 ARG 69 2HB ARG 69 -7.356 -12.056 -0.880 497 HG2 ARG 69 1HG ARG 69 -5.760 -12.243 -2.590 498 HG3 ARG 69 2HG ARG 69 -4.591 -11.250 -1.717 499 HD2 ARG 69 1HD ARG 69 -3.737 -13.327 -1.294 500 HD3 ARG 69 2HD ARG 69 -4.827 -13.160 0.082 501 HE ARG 69 HE ARG 69 -6.316 -14.342 -1.905 502 HH11 ARG 69 2HH1 ARG 69 -3.392 -15.080 -0.165 503 HH12 ARG 69 1HH1 ARG 69 -3.601 -16.796 -0.282 504 HH21 ARG 69 2HH2 ARG 69 -6.602 -16.599 -2.066 505 HH22 ARG 69 1HH2 ARG 69 -5.427 -17.659 -1.364 506 H GLY 70 H GLY 70 -9.258 -10.596 -1.714 507 HA2 GLY 70 1HA GLY 70 -11.346 -10.198 -0.849 508 HA3 GLY 70 2HA GLY 70 -10.561 -10.100 0.720 509 H LEU 71 H LEU 71 -11.402 -8.240 -2.162 510 HA LEU 71 HA LEU 71 -11.817 -5.900 -0.475 511 HB2 LEU 71 1HB LEU 71 -10.214 -5.671 -3.007 512 HB3 LEU 71 2HB LEU 71 -10.498 -4.433 -1.786 513 HG LEU 71 HG LEU 71 -8.972 -6.918 -1.100 514 HD11 LEU 71 1HD1 LEU 71 -7.438 -4.525 -1.892 515 HD12 LEU 71 2HD1 LEU 71 -8.153 -5.467 -3.201 516 HD13 LEU 71 3HD1 LEU 71 -7.048 -6.237 -2.062 517 HD21 LEU 71 1HD2 LEU 71 -9.523 -5.633 0.788 518 HD22 LEU 71 2HD2 LEU 71 -9.165 -4.114 -0.035 519 HD23 LEU 71 3HD2 LEU 71 -7.853 -5.205 0.414 520 H LYS 72 H LYS 72 -13.265 -4.385 -1.336 521 HA LYS 72 HA LYS 72 -15.203 -5.474 -3.127 522 HB2 LYS 72 1HB LYS 72 -14.938 -2.701 -1.950 523 HB3 LYS 72 2HB LYS 72 -16.337 -3.280 -2.844 524 HG2 LYS 72 1HG LYS 72 -15.367 -4.706 -0.397 525 HG3 LYS 72 2HG LYS 72 -16.427 -3.299 -0.283 526 HD2 LYS 72 1HD LYS 72 -17.885 -4.593 -2.007 527 HD3 LYS 72 2HD LYS 72 -16.976 -6.000 -1.450 528 HE2 LYS 72 1HE LYS 72 -18.216 -4.169 0.554 529 HE3 LYS 72 2HE LYS 72 -19.235 -5.324 -0.304 530 HZ1 LYS 72 1HZ LYS 72 -18.354 -6.157 1.835 531 HZ2 LYS 72 2HZ LYS 72 -16.788 -6.067 1.203 532 HZ3 LYS 72 3HZ LYS 72 -17.919 -7.121 0.514 533 H ARG 73 H ARG 73 -14.590 -5.706 -5.204 534 HA ARG 73 HA ARG 73 -12.843 -4.009 -6.602 535 HB2 ARG 73 1HB ARG 73 -13.520 -5.192 -8.588 536 HB3 ARG 73 2HB ARG 73 -13.404 -6.341 -7.262 537 HG2 ARG 73 1HG ARG 73 -15.377 -7.015 -8.148 538 HG3 ARG 73 2HG ARG 73 -15.984 -5.779 -7.044 539 HD2 ARG 73 1HD ARG 73 -15.890 -4.150 -8.927 540 HD3 ARG 73 2HD ARG 73 -15.460 -5.484 -9.997 541 HE ARG 73 HE ARG 73 -17.808 -6.178 -8.660 542 HH11 ARG 73 2HH1 ARG 73 -16.697 -3.841 -10.990 543 HH12 ARG 73 1HH1 ARG 73 -18.238 -3.689 -11.766 544 HH21 ARG 73 2HH2 ARG 73 -19.842 -5.986 -9.674 545 HH22 ARG 73 1HH2 ARG 73 -20.027 -4.908 -11.017 546 H GLY 74 H GLY 74 -16.024 -3.501 -5.619 547 HA2 GLY 74 1HA GLY 74 -16.400 -1.423 -7.686 548 HA3 GLY 74 2HA GLY 74 -17.724 -2.269 -6.898 549 H ALA 75 H ALA 75 -14.799 -0.634 -5.683 550 HA ALA 75 HA ALA 75 -16.347 1.461 -4.463 551 HB1 ALA 75 1HB ALA 75 -16.114 -0.858 -2.987 552 HB2 ALA 75 2HB ALA 75 -14.832 0.171 -2.347 553 HB3 ALA 75 3HB ALA 75 -16.500 0.744 -2.358 554 H SER 76 H SER 76 -14.747 2.653 -2.804 555 HA SER 76 HA SER 76 -12.324 3.150 -4.369 556 HB2 SER 76 1HB SER 76 -13.894 4.775 -2.389 557 HB3 SER 76 2HB SER 76 -12.224 5.198 -2.764 558 HG SER 76 HG SER 76 -13.115 4.972 -5.072 559 H TYR 77 H TYR 77 -10.282 3.029 -3.524 560 HA TYR 77 HA TYR 77 -9.943 2.320 -0.714 561 HB2 TYR 77 1HB TYR 77 -9.244 0.545 -3.034 562 HB3 TYR 77 2HB TYR 77 -8.315 0.466 -1.541 563 HD1 TYR 77 2HD TYR 77 -11.767 0.171 -2.890 564 HD2 TYR 77 1HD TYR 77 -9.094 -0.790 0.277 565 HE1 TYR 77 2HE TYR 77 -13.459 -1.331 -1.926 566 HE2 TYR 77 1HE TYR 77 -10.778 -2.295 1.250 567 HH TYR 77 HH TYR 77 -13.194 -2.623 1.214 568 H LEU 78 H LEU 78 -8.468 3.677 0.033 569 HA LEU 78 HA LEU 78 -6.396 4.688 -1.778 570 HB2 LEU 78 1HB LEU 78 -7.317 5.664 0.921 571 HB3 LEU 78 2HB LEU 78 -6.023 6.397 -0.025 572 HG LEU 78 HG LEU 78 -7.949 6.586 -1.835 573 HD11 LEU 78 1HD1 LEU 78 -10.048 7.265 -0.554 574 HD12 LEU 78 2HD1 LEU 78 -9.378 6.344 0.792 575 HD13 LEU 78 3HD1 LEU 78 -9.731 5.540 -0.737 576 HD21 LEU 78 1HD2 LEU 78 -6.621 8.312 -0.185 577 HD22 LEU 78 2HD2 LEU 78 -8.307 8.637 0.218 578 HD23 LEU 78 3HD2 LEU 78 -7.755 8.782 -1.451 579 H VAL 79 H VAL 79 -4.790 3.192 -1.778 580 HA VAL 79 HA VAL 79 -3.853 2.035 0.716 581 HB VAL 79 HB VAL 79 -2.761 1.660 -2.076 582 HG11 VAL 79 1HG1 VAL 79 -2.265 -0.594 -0.518 583 HG12 VAL 79 2HG1 VAL 79 -1.092 0.620 -1.034 584 HG13 VAL 79 3HG1 VAL 79 -1.892 0.773 0.531 585 HG21 VAL 79 1HG2 VAL 79 -4.321 0.104 -2.495 586 HG22 VAL 79 2HG2 VAL 79 -4.274 -0.527 -0.849 587 HG23 VAL 79 3HG2 VAL 79 -5.239 0.901 -1.218 588 H GLN 80 H GLN 80 -1.875 2.403 1.659 589 HA GLN 80 HA GLN 80 -0.183 4.494 0.479 590 HB2 GLN 80 1HB GLN 80 -1.094 4.360 3.358 591 HB3 GLN 80 2HB GLN 80 0.136 5.459 2.748 592 HG2 GLN 80 1HG GLN 80 -1.526 6.480 1.265 593 HG3 GLN 80 2HG GLN 80 -2.755 5.396 1.915 594 HE21 GLN 80 1HE2 GLN 80 -3.966 6.212 3.455 595 HE22 GLN 80 2HE2 GLN 80 -3.528 7.492 4.530 596 H VAL 81 H VAL 81 1.793 3.725 0.200 597 HA VAL 81 HA VAL 81 2.752 1.594 1.989 598 HB VAL 81 HB VAL 81 3.875 2.332 -0.713 599 HG11 VAL 81 1HG1 VAL 81 4.169 -0.342 0.554 600 HG12 VAL 81 2HG1 VAL 81 5.261 0.524 -0.529 601 HG13 VAL 81 3HG1 VAL 81 5.149 0.989 1.169 602 HG21 VAL 81 1HG2 VAL 81 1.921 1.508 -1.482 603 HG22 VAL 81 2HG2 VAL 81 2.668 -0.048 -1.121 604 HG23 VAL 81 3HG2 VAL 81 1.550 0.682 0.031 605 H ARG 82 H ARG 82 4.550 1.863 3.189 606 HA ARG 82 HA ARG 82 6.122 4.320 2.781 607 HB2 ARG 82 1HB ARG 82 6.232 4.719 5.119 608 HB3 ARG 82 2HB ARG 82 4.538 4.420 4.751 609 HG2 ARG 82 1HG ARG 82 4.559 2.325 5.761 610 HG3 ARG 82 2HG ARG 82 6.319 2.211 5.701 611 HD2 ARG 82 1HD ARG 82 6.604 3.629 7.504 612 HD3 ARG 82 2HD ARG 82 5.026 4.386 7.288 613 HE ARG 82 HE ARG 82 4.641 1.691 7.945 614 HH11 ARG 82 2HH1 ARG 82 5.818 4.637 9.379 615 HH12 ARG 82 1HH1 ARG 82 5.372 4.184 10.991 616 HH21 ARG 82 2HH2 ARG 82 4.049 1.084 10.062 617 HH22 ARG 82 1HH2 ARG 82 4.367 2.162 11.378 618 H ALA 83 H ALA 83 8.304 4.219 3.752 619 HA ALA 83 HA ALA 83 9.387 1.484 3.575 620 HB1 ALA 83 1HB ALA 83 11.347 2.324 2.615 621 HB2 ALA 83 2HB ALA 83 10.055 3.235 1.833 622 HB3 ALA 83 3HB ALA 83 10.998 3.976 3.126 623 H ARG 84 H ARG 84 11.269 1.008 4.906 624 HA ARG 84 HA ARG 84 11.528 2.685 7.298 625 HB2 ARG 84 1HB ARG 84 9.992 1.011 8.012 626 HB3 ARG 84 2HB ARG 84 10.918 -0.266 7.233 627 HG2 ARG 84 1HG ARG 84 11.458 -0.553 9.451 628 HG3 ARG 84 2HG ARG 84 12.796 0.442 8.873 629 HD2 ARG 84 1HD ARG 84 11.581 2.448 9.693 630 HD3 ARG 84 2HD ARG 84 10.357 1.379 10.377 631 HE ARG 84 HE ARG 84 12.921 1.973 11.475 632 HH11 ARG 84 2HH1 ARG 84 10.485 -0.500 11.220 633 HH12 ARG 84 1HH1 ARG 84 10.938 -1.282 12.698 634 HH21 ARG 84 2HH2 ARG 84 13.527 0.954 13.424 635 HH22 ARG 84 1HH2 ARG 84 12.667 -0.453 13.952 636 H SER 85 H SER 85 13.578 2.999 7.894 637 HA SER 85 HA SER 85 15.625 1.118 6.927 638 HB2 SER 85 1HB SER 85 15.383 3.447 5.714 639 HB3 SER 85 2HB SER 85 16.255 4.038 7.128 640 HG SER 85 HG SER 85 18.008 3.195 6.351 641 H GLU 86 H GLU 86 17.731 1.391 8.114 642 HA GLU 86 HA GLU 86 17.616 0.778 10.718 643 HB2 GLU 86 1HB GLU 86 19.711 2.490 9.375 644 HB3 GLU 86 2HB GLU 86 19.901 1.802 10.981 645 HG2 GLU 86 1HG GLU 86 19.504 -0.457 9.909 646 HG3 GLU 86 2HG GLU 86 19.694 0.360 8.359 647 H ALA 87 H ALA 87 17.715 4.094 9.467 648 HA ALA 87 HA ALA 87 17.856 5.496 11.847 649 HB1 ALA 87 1HB ALA 87 17.442 6.124 9.168 650 HB2 ALA 87 2HB ALA 87 16.039 6.784 10.009 651 HB3 ALA 87 3HB ALA 87 17.665 7.256 10.502 652 H GLY 88 H GLY 88 14.825 4.920 10.041 653 HA2 GLY 88 1HA GLY 88 13.321 3.850 12.101 654 HA3 GLY 88 2HA GLY 88 13.189 5.594 12.274 655 H TYR 89 H TYR 89 10.866 4.635 11.908 656 HA TYR 89 HA TYR 89 10.095 3.986 9.260 657 HB2 TYR 89 1HB TYR 89 8.685 4.686 11.785 658 HB3 TYR 89 2HB TYR 89 7.781 4.840 10.283 659 HD1 TYR 89 2HD TYR 89 8.081 2.712 8.665 660 HD2 TYR 89 1HD TYR 89 8.531 2.675 12.896 661 HE1 TYR 89 2HE TYR 89 7.625 0.295 8.687 662 HE2 TYR 89 1HE TYR 89 8.077 0.258 12.930 663 HH TYR 89 HH TYR 89 6.943 -1.437 10.131 664 H GLY 90 H GLY 90 9.533 5.232 7.569 665 HA2 GLY 90 1HA GLY 90 9.839 8.132 7.894 666 HA3 GLY 90 2HA GLY 90 9.921 7.251 6.376 667 HA PRO 91 HA PRO 91 5.686 9.247 7.050 668 HB2 PRO 91 1HB PRO 91 5.853 11.080 5.055 669 HB3 PRO 91 2HB PRO 91 6.376 11.412 6.710 670 HG2 PRO 91 1HG PRO 91 8.014 10.654 4.322 671 HG3 PRO 91 2HG PRO 91 8.344 11.878 5.562 672 HD2 PRO 91 1HD PRO 91 9.508 9.433 5.582 673 HD3 PRO 91 2HD PRO 91 9.124 10.320 7.072 674 H PHE 92 H PHE 92 4.103 8.146 6.096 675 HA PHE 92 HA PHE 92 4.295 6.309 4.118 676 HB2 PHE 92 1HB PHE 92 2.031 8.010 5.060 677 HB3 PHE 92 2HB PHE 92 1.793 7.032 3.615 678 HD1 PHE 92 1HD PHE 92 1.820 4.603 3.738 679 HD2 PHE 92 2HD PHE 92 2.258 7.002 7.226 680 HE1 PHE 92 1HE PHE 92 1.344 2.640 5.143 681 HE2 PHE 92 2HE PHE 92 1.783 5.043 8.637 682 HZ PHE 92 HZ PHE 92 1.326 2.859 7.596 683 H GLY 93 H GLY 93 4.497 6.250 1.958 684 HA2 GLY 93 1HA GLY 93 5.367 8.424 0.479 685 HA3 GLY 93 2HA GLY 93 4.700 6.956 -0.218 686 H GLN 94 H GLN 94 4.096 8.783 -1.802 687 HA GLN 94 HA GLN 94 2.003 10.562 -1.147 688 HB2 GLN 94 1HB GLN 94 3.557 10.709 -3.139 689 HB3 GLN 94 2HB GLN 94 2.591 9.445 -3.888 690 HG2 GLN 94 1HG GLN 94 1.681 11.351 -4.789 691 HG3 GLN 94 2HG GLN 94 0.602 11.032 -3.432 692 HE21 GLN 94 1HE2 GLN 94 3.808 12.529 -3.660 693 HE22 GLN 94 2HE2 GLN 94 3.358 14.015 -2.903 694 H GLU 95 H GLU 95 -0.059 10.148 -0.743 695 HA GLU 95 HA GLU 95 -1.242 7.672 -0.680 696 HB2 GLU 95 1HB GLU 95 -3.396 8.827 -0.592 697 HB3 GLU 95 2HB GLU 95 -2.200 9.649 0.400 698 HG2 GLU 95 1HG GLU 95 -1.884 11.324 -1.325 699 HG3 GLU 95 2HG GLU 95 -3.026 10.483 -2.372 700 H HIS 96 H HIS 96 -2.475 6.432 -2.044 701 HA HIS 96 HA HIS 96 -2.728 7.346 -4.829 702 HB2 HIS 96 1HB HIS 96 -0.800 5.766 -4.546 703 HB3 HIS 96 2HB HIS 96 -1.949 4.539 -4.020 704 HD1 HIS 96 1HD HIS 96 -1.572 6.823 -7.051 705 HD2 HIS 96 2HD HIS 96 -2.692 2.946 -6.061 706 HE1 HIS 96 1HE HIS 96 -2.088 5.693 -9.237 707 HE2 HIS 96 2HE HIS 96 -2.845 3.375 -8.607 708 H HIS 97 H HIS 97 -4.489 6.496 -5.996 709 HA HIS 97 HA HIS 97 -6.589 5.327 -4.293 710 HB2 HIS 97 1HB HIS 97 -7.384 7.431 -4.958 711 HB3 HIS 97 2HB HIS 97 -6.708 7.277 -6.577 712 HD1 HIS 97 1HD HIS 97 -8.538 7.095 -8.214 713 HD2 HIS 97 2HD HIS 97 -9.431 5.088 -4.687 714 HE1 HIS 97 1HE HIS 97 -10.798 6.055 -8.585 715 HE2 HIS 97 2HE HIS 97 -11.355 4.918 -6.408 716 H SER 98 H SER 98 -6.456 3.178 -4.648 717 HA SER 98 HA SER 98 -5.659 1.878 -6.959 718 HB2 SER 98 1HB SER 98 -7.302 1.107 -4.593 719 HB3 SER 98 2HB SER 98 -7.317 0.029 -5.988 720 HG SER 98 HG SER 98 -5.219 0.697 -4.267 721 H GLN 99 H GLN 99 -6.473 2.069 -8.932 722 HA GLN 99 HA GLN 99 -9.270 2.735 -9.326 723 HB2 GLN 99 1HB GLN 99 -6.946 2.440 -11.227 724 HB3 GLN 99 2HB GLN 99 -8.586 2.781 -11.762 725 HG2 GLN 99 1HG GLN 99 -8.604 4.871 -10.617 726 HG3 GLN 99 2HG GLN 99 -7.071 4.510 -9.825 727 HE21 GLN 99 1HE2 GLN 99 -8.052 6.646 -11.743 728 HE22 GLN 99 2HE2 GLN 99 -6.841 6.686 -12.975 729 H THR 100 H THR 100 -10.045 0.681 -8.455 730 HA THR 100 HA THR 100 -9.477 -1.818 -9.583 731 HB THR 100 HB THR 100 -11.477 -2.633 -8.526 732 HG1 THR 100 1HG THR 100 -13.041 -1.178 -7.715 733 HG21 THR 100 1HG2 THR 100 -11.244 -1.169 -6.273 734 HG22 THR 100 2HG2 THR 100 -9.756 -0.705 -7.097 735 HG23 THR 100 3HG2 THR 100 -10.082 -2.404 -6.756 736 H GLN 101 H GLN 101 -10.924 -3.160 -10.901 737 HA GLN 101 HA GLN 101 -11.427 -2.100 -13.399 738 HB2 GLN 101 1HB GLN 101 -12.281 -4.568 -11.975 739 HB3 GLN 101 2HB GLN 101 -13.127 -4.157 -13.460 740 HG2 GLN 101 1HG GLN 101 -10.946 -4.062 -14.623 741 HG3 GLN 101 2HG GLN 101 -10.170 -4.604 -13.137 742 HE21 GLN 101 1HE2 GLN 101 -9.610 -6.175 -15.070 743 HE22 GLN 101 2HE2 GLN 101 -10.560 -7.618 -15.094 744 H LEU 102 H LEU 102 -12.605 -0.228 -13.446 745 HA LEU 102 HA LEU 102 -15.474 -0.528 -13.205 746 HB2 LEU 102 1HB LEU 102 -13.897 1.381 -11.500 747 HB3 LEU 102 2HB LEU 102 -15.607 1.619 -11.853 748 HG LEU 102 HG LEU 102 -14.476 -0.801 -10.451 749 HD11 LEU 102 1HD1 LEU 102 -15.198 0.140 -8.399 750 HD12 LEU 102 2HD1 LEU 102 -15.979 1.494 -9.215 751 HD13 LEU 102 3HD1 LEU 102 -14.220 1.368 -9.204 752 HD21 LEU 102 1HD2 LEU 102 -16.532 -1.338 -11.525 753 HD22 LEU 102 2HD2 LEU 102 -17.280 0.164 -10.981 754 HD23 LEU 102 3HD2 LEU 102 -16.881 -1.097 -9.813 755 H ASP 103 H ASP 103 -16.400 0.455 -14.873 756 HA ASP 103 HA ASP 103 -14.839 2.419 -16.386 757 HB2 ASP 103 1HB ASP 103 -15.561 0.705 -17.821 758 HB3 ASP 103 2HB ASP 103 -17.157 0.632 -17.079 759 H SER 104 H SER 104 -15.294 4.508 -16.262 760 HA SER 104 HA SER 104 -17.592 5.414 -14.778 761 HB2 SER 104 1HB SER 104 -15.362 6.911 -16.170 762 HB3 SER 104 2HB SER 104 -16.638 7.691 -15.236 763 HG SER 104 HG SER 104 -15.160 5.622 -14.058 764 H GLY 105 H GLY 105 -16.377 5.932 -18.092 765 HA2 GLY 105 1HA GLY 105 -18.763 5.580 -19.426 766 HA3 GLY 105 2HA GLY 105 -18.748 7.272 -18.951 767 HA PRO 106 HA PRO 106 -16.582 6.765 -23.057 768 HB2 PRO 106 1HB PRO 106 -18.074 8.612 -24.371 769 HB3 PRO 106 2HB PRO 106 -18.536 6.910 -24.256 770 HG2 PRO 106 1HG PRO 106 -19.500 9.247 -22.652 771 HG3 PRO 106 2HG PRO 106 -20.430 7.906 -23.347 772 HD2 PRO 106 1HD PRO 106 -19.727 7.992 -20.733 773 HD3 PRO 106 2HD PRO 106 -19.876 6.468 -21.633 774 H SER 107 H SER 107 -14.850 7.762 -21.791 775 HA SER 107 HA SER 107 -14.744 10.685 -22.164 776 HB2 SER 107 1HB SER 107 -14.805 9.857 -19.763 777 HB3 SER 107 2HB SER 107 -13.219 9.146 -20.058 778 HG SER 107 HG SER 107 -12.950 11.192 -19.184 779 H SER 108 H SER 108 -12.408 11.489 -22.230 780 HA SER 108 HA SER 108 -10.792 9.641 -23.863 781 HB2 SER 108 1HB SER 108 -11.690 11.370 -25.297 782 HB3 SER 108 2HB SER 108 -11.160 12.628 -24.182 783 HG SER 108 HG SER 108 -9.419 12.630 -25.355 784 H GLY 109 H GLY 109 -10.679 12.456 -21.699 785 HA2 GLY 109 1HA GLY 109 -8.022 12.835 -21.318 786 HA3 GLY 109 2HA GLY 109 -9.183 12.928 -20.002 Start of MODEL 16 1 H1 GLY 1 H GLY 1 17.016 25.186 7.535 2 HA2 GLY 1 1HA GLY 1 17.355 23.632 9.820 3 HA3 GLY 1 2HA GLY 1 16.305 25.037 9.712 4 H SER 2 H SER 2 16.486 21.584 9.703 5 HA SER 2 HA SER 2 13.580 21.375 9.348 6 HB2 SER 2 1HB SER 2 15.625 19.146 9.422 7 HB3 SER 2 2HB SER 2 13.930 19.010 8.954 8 HG SER 2 HG SER 2 16.088 19.866 7.501 9 H SER 3 H SER 3 12.368 19.987 10.795 10 HA SER 3 HA SER 3 13.174 20.397 13.547 11 HB2 SER 3 1HB SER 3 10.641 19.372 12.264 12 HB3 SER 3 2HB SER 3 10.878 19.388 14.011 13 HG SER 3 HG SER 3 11.131 21.633 13.904 14 H GLY 4 H GLY 4 12.114 17.608 11.586 15 HA2 GLY 4 1HA GLY 4 13.679 15.889 13.413 16 HA3 GLY 4 2HA GLY 4 12.138 15.393 12.728 17 H SER 5 H SER 5 12.239 15.866 10.148 18 HA SER 5 HA SER 5 12.916 14.801 8.235 19 HB2 SER 5 1HB SER 5 14.473 16.882 8.633 20 HB3 SER 5 2HB SER 5 15.716 15.655 8.877 21 HG SER 5 HG SER 5 15.777 16.010 6.741 22 H SER 6 H SER 6 12.742 12.982 10.293 23 HA SER 6 HA SER 6 15.146 11.312 10.013 24 HB2 SER 6 1HB SER 6 12.971 11.419 12.093 25 HB3 SER 6 2HB SER 6 14.024 10.012 11.940 26 HG SER 6 HG SER 6 14.721 11.696 13.452 27 H GLY 7 H GLY 7 14.841 8.994 9.724 28 HA2 GLY 7 1HA GLY 7 13.701 7.110 8.942 29 HA3 GLY 7 2HA GLY 7 12.268 8.101 8.714 30 HA PRO 8 HA PRO 8 14.553 7.220 4.647 31 HB2 PRO 8 1HB PRO 8 12.761 5.478 3.587 32 HB3 PRO 8 2HB PRO 8 14.136 4.962 4.570 33 HG2 PRO 8 1HG PRO 8 11.273 5.331 5.363 34 HG3 PRO 8 2HG PRO 8 12.392 4.022 5.788 35 HD2 PRO 8 1HD PRO 8 11.826 6.061 7.478 36 HD3 PRO 8 2HD PRO 8 13.410 5.260 7.444 37 HA PRO 9 HA PRO 9 11.984 9.960 2.361 38 HB2 PRO 9 1HB PRO 9 12.252 9.068 -0.189 39 HB3 PRO 9 2HB PRO 9 13.549 9.898 0.680 40 HG2 PRO 9 1HG PRO 9 13.142 6.966 0.231 41 HG3 PRO 9 2HG PRO 9 14.634 7.918 0.125 42 HD2 PRO 9 1HD PRO 9 14.023 6.405 2.286 43 HD3 PRO 9 2HD PRO 9 14.948 7.915 2.408 44 H ALA 10 H ALA 10 9.925 10.224 1.556 45 HA ALA 10 HA ALA 10 8.042 8.189 2.022 46 HB1 ALA 10 1HB ALA 10 7.980 10.934 1.463 47 HB2 ALA 10 2HB ALA 10 7.012 10.161 0.207 48 HB3 ALA 10 3HB ALA 10 6.626 9.895 1.907 49 H VAL 11 H VAL 11 7.562 6.468 0.841 50 HA VAL 11 HA VAL 11 8.686 5.755 -1.563 51 HB VAL 11 HB VAL 11 5.894 4.906 -0.831 52 HG11 VAL 11 1HG1 VAL 11 7.254 4.209 -2.970 53 HG12 VAL 11 2HG1 VAL 11 8.036 3.100 -1.841 54 HG13 VAL 11 3HG1 VAL 11 6.290 3.028 -2.083 55 HG21 VAL 11 1HG2 VAL 11 6.750 4.438 1.206 56 HG22 VAL 11 2HG2 VAL 11 7.414 3.036 0.368 57 HG23 VAL 11 3HG2 VAL 11 8.417 4.462 0.631 58 H SER 12 H SER 12 8.509 6.496 -3.564 59 HA SER 12 HA SER 12 6.071 7.976 -4.305 60 HB2 SER 12 1HB SER 12 7.418 9.269 -5.849 61 HB3 SER 12 2HB SER 12 8.171 9.324 -4.255 62 HG SER 12 HG SER 12 9.675 8.906 -5.953 63 H ASP 13 H ASP 13 5.945 8.046 -6.865 64 HA ASP 13 HA ASP 13 5.214 6.833 -8.658 65 HB2 ASP 13 1HB ASP 13 7.800 6.825 -8.784 66 HB3 ASP 13 2HB ASP 13 7.671 5.136 -8.302 67 H ILE 14 H ILE 14 3.766 6.006 -6.644 68 HA ILE 14 HA ILE 14 3.967 3.084 -6.489 69 HB ILE 14 HB ILE 14 2.088 4.842 -4.921 70 HG12 ILE 14 1HG1 ILE 14 4.632 3.741 -3.782 71 HG13 ILE 14 2HG1 ILE 14 4.669 5.253 -4.683 72 HG21 ILE 14 1HG2 ILE 14 3.077 2.315 -3.808 73 HG22 ILE 14 2HG2 ILE 14 1.447 2.987 -3.831 74 HG23 ILE 14 3HG2 ILE 14 2.075 2.148 -5.250 75 HD11 ILE 14 1HD1 ILE 14 2.630 5.012 -2.560 76 HD12 ILE 14 2HD1 ILE 14 4.314 5.147 -2.054 77 HD13 ILE 14 3HD1 ILE 14 3.593 6.401 -3.063 78 H ARG 15 H ARG 15 3.087 2.375 -8.392 79 HA ARG 15 HA ARG 15 0.309 3.186 -8.947 80 HB2 ARG 15 1HB ARG 15 2.003 3.708 -10.719 81 HB3 ARG 15 2HB ARG 15 2.284 1.980 -10.889 82 HG2 ARG 15 1HG ARG 15 0.115 1.607 -11.731 83 HG3 ARG 15 2HG ARG 15 -0.430 3.213 -11.241 84 HD2 ARG 15 1HD ARG 15 1.294 4.140 -12.844 85 HD3 ARG 15 2HD ARG 15 1.484 2.495 -13.449 86 HE ARG 15 HE ARG 15 -1.232 3.116 -13.507 87 HH11 ARG 15 2HH1 ARG 15 1.728 4.138 -15.028 88 HH12 ARG 15 1HH1 ARG 15 0.957 4.620 -16.503 89 HH21 ARG 15 2HH2 ARG 15 -2.259 3.748 -15.443 90 HH22 ARG 15 1HH2 ARG 15 -1.312 4.399 -16.737 91 H VAL 16 H VAL 16 -1.030 1.462 -9.987 92 HA VAL 16 HA VAL 16 -0.495 -1.120 -8.679 93 HB VAL 16 HB VAL 16 -3.145 0.003 -9.600 94 HG11 VAL 16 1HG1 VAL 16 -3.455 -2.067 -7.710 95 HG12 VAL 16 2HG1 VAL 16 -3.914 -2.072 -9.414 96 HG13 VAL 16 3HG1 VAL 16 -2.320 -2.648 -8.927 97 HG21 VAL 16 1HG2 VAL 16 -1.911 1.054 -7.574 98 HG22 VAL 16 2HG2 VAL 16 -3.613 0.623 -7.418 99 HG23 VAL 16 3HG2 VAL 16 -2.371 -0.432 -6.743 100 H THR 17 H THR 17 0.249 -2.622 -10.015 101 HA THR 17 HA THR 17 -0.752 -2.663 -12.788 102 HB THR 17 HB THR 17 1.672 -2.178 -12.621 103 HG1 THR 17 1HG THR 17 0.852 -3.333 -14.437 104 HG21 THR 17 1HG2 THR 17 3.225 -3.820 -11.818 105 HG22 THR 17 2HG2 THR 17 1.929 -4.981 -11.533 106 HG23 THR 17 3HG2 THR 17 2.042 -3.526 -10.544 107 H ARG 18 H ARG 18 -0.751 -4.851 -13.797 108 HA ARG 18 HA ARG 18 -1.608 -6.958 -13.868 109 HB2 ARG 18 1HB ARG 18 0.090 -7.099 -11.382 110 HB3 ARG 18 2HB ARG 18 -0.766 -8.501 -12.011 111 HG2 ARG 18 1HG ARG 18 0.450 -8.272 -14.132 112 HG3 ARG 18 2HG ARG 18 1.334 -6.901 -13.459 113 HD2 ARG 18 1HD ARG 18 2.822 -8.591 -13.046 114 HD3 ARG 18 2HD ARG 18 1.892 -8.617 -11.549 115 HE ARG 18 HE ARG 18 1.304 -10.746 -12.079 116 HH11 ARG 18 2HH1 ARG 18 1.951 -9.031 -15.038 117 HH12 ARG 18 1HH1 ARG 18 1.658 -10.406 -16.052 118 HH21 ARG 18 2HH2 ARG 18 0.915 -12.563 -13.402 119 HH22 ARG 18 1HH2 ARG 18 1.068 -12.413 -15.120 120 H SER 19 H SER 19 -3.480 -5.230 -13.061 121 HA SER 19 HA SER 19 -4.685 -5.523 -10.595 122 HB2 SER 19 1HB SER 19 -6.818 -4.925 -11.766 123 HB3 SER 19 2HB SER 19 -5.470 -3.858 -12.158 124 HG SER 19 HG SER 19 -5.190 -5.422 -14.011 125 H SER 20 H SER 20 -6.890 -6.608 -10.254 126 HA SER 20 HA SER 20 -7.536 -8.992 -11.615 127 HB2 SER 20 1HB SER 20 -5.742 -9.233 -9.218 128 HB3 SER 20 2HB SER 20 -6.911 -10.502 -9.582 129 HG SER 20 HG SER 20 -4.786 -10.794 -10.530 130 HA PRO 21 HA PRO 21 -11.234 -8.490 -9.309 131 HB2 PRO 21 1HB PRO 21 -12.166 -11.037 -9.199 132 HB3 PRO 21 2HB PRO 21 -12.175 -10.074 -10.681 133 HG2 PRO 21 1HG PRO 21 -10.235 -12.178 -9.801 134 HG3 PRO 21 2HG PRO 21 -10.951 -11.916 -11.402 135 HD2 PRO 21 1HD PRO 21 -8.444 -11.108 -10.777 136 HD3 PRO 21 2HD PRO 21 -9.473 -10.227 -11.926 137 H SER 22 H SER 22 -11.460 -8.093 -7.207 138 HA SER 22 HA SER 22 -11.363 -8.273 -4.942 139 HB2 SER 22 1HB SER 22 -12.643 -10.360 -5.378 140 HB3 SER 22 2HB SER 22 -11.121 -11.245 -5.465 141 HG SER 22 HG SER 22 -11.157 -11.346 -3.378 142 H SER 23 H SER 23 -8.904 -8.052 -6.579 143 HA SER 23 HA SER 23 -7.015 -8.283 -4.462 144 HB2 SER 23 1HB SER 23 -5.468 -9.859 -5.658 145 HB3 SER 23 2HB SER 23 -6.944 -10.617 -5.060 146 HG SER 23 HG SER 23 -7.104 -11.277 -7.054 147 H LEU 24 H LEU 24 -5.244 -7.005 -4.805 148 HA LEU 24 HA LEU 24 -4.804 -5.932 -7.495 149 HB2 LEU 24 1HB LEU 24 -5.414 -4.371 -5.012 150 HB3 LEU 24 2HB LEU 24 -4.452 -3.665 -6.310 151 HG LEU 24 HG LEU 24 -6.545 -4.431 -7.758 152 HD11 LEU 24 1HD1 LEU 24 -7.604 -5.419 -5.684 153 HD12 LEU 24 2HD1 LEU 24 -8.606 -4.311 -6.621 154 HD13 LEU 24 3HD1 LEU 24 -7.841 -3.762 -5.130 155 HD21 LEU 24 1HD2 LEU 24 -5.852 -2.195 -7.813 156 HD22 LEU 24 2HD2 LEU 24 -6.183 -1.956 -6.097 157 HD23 LEU 24 3HD2 LEU 24 -7.518 -2.126 -7.238 158 H SER 25 H SER 25 -2.737 -6.140 -8.007 159 HA SER 25 HA SER 25 -0.767 -6.646 -5.943 160 HB2 SER 25 1HB SER 25 -0.751 -8.019 -7.975 161 HB3 SER 25 2HB SER 25 -0.492 -6.578 -8.958 162 HG SER 25 HG SER 25 1.523 -6.340 -8.061 163 H LEU 26 H LEU 26 0.398 -5.101 -5.031 164 HA LEU 26 HA LEU 26 0.650 -2.516 -6.396 165 HB2 LEU 26 1HB LEU 26 1.230 -3.179 -3.516 166 HB3 LEU 26 2HB LEU 26 1.149 -1.573 -4.239 167 HG LEU 26 HG LEU 26 -1.266 -3.335 -4.268 168 HD11 LEU 26 1HD1 LEU 26 -0.513 -3.402 -1.962 169 HD12 LEU 26 2HD1 LEU 26 -1.949 -2.390 -2.112 170 HD13 LEU 26 3HD1 LEU 26 -0.360 -1.645 -1.941 171 HD21 LEU 26 1HD2 LEU 26 -0.755 -0.874 -5.293 172 HD22 LEU 26 2HD2 LEU 26 -1.435 -0.457 -3.720 173 HD23 LEU 26 3HD2 LEU 26 -2.357 -1.459 -4.843 174 H ALA 27 H ALA 27 2.677 -1.418 -6.427 175 HA ALA 27 HA ALA 27 5.090 -2.708 -5.610 176 HB1 ALA 27 1HB ALA 27 5.876 -2.678 -8.147 177 HB2 ALA 27 2HB ALA 27 5.126 -4.095 -7.411 178 HB3 ALA 27 3HB ALA 27 4.163 -3.007 -8.410 179 H TRP 28 H TRP 28 6.483 -1.143 -5.142 180 HA TRP 28 HA TRP 28 6.190 1.444 -6.522 181 HB2 TRP 28 1HB TRP 28 7.488 2.204 -4.338 182 HB3 TRP 28 2HB TRP 28 5.736 2.015 -4.343 183 HD1 TRP 28 HD TRP 28 8.616 1.115 -2.328 184 HE1 TRP 28 1HE TRP 28 8.086 -0.841 -0.741 185 HE3 TRP 28 3HE TRP 28 4.265 -0.510 -4.465 186 HZ2 TRP 28 2HZ TRP 28 6.089 -2.812 -0.435 187 HZ3 TRP 28 3HZ TRP 28 3.107 -2.437 -3.465 188 HH2 TRP 28 HH TRP 28 4.002 -3.563 -1.492 189 H ALA 29 H ALA 29 8.271 2.763 -6.479 190 HA ALA 29 HA ALA 29 10.398 1.078 -7.539 191 HB1 ALA 29 1HB ALA 29 11.230 2.974 -8.611 192 HB2 ALA 29 2HB ALA 29 9.480 3.192 -8.669 193 HB3 ALA 29 3HB ALA 29 10.440 4.075 -7.482 194 H VAL 30 H VAL 30 11.895 0.354 -6.183 195 HA VAL 30 HA VAL 30 12.367 0.997 -3.596 196 HB VAL 30 HB VAL 30 14.516 0.279 -5.596 197 HG11 VAL 30 1HG1 VAL 30 14.431 0.096 -2.589 198 HG12 VAL 30 2HG1 VAL 30 15.643 -0.699 -3.595 199 HG13 VAL 30 3HG1 VAL 30 15.530 1.061 -3.574 200 HG21 VAL 30 1HG2 VAL 30 14.099 -2.039 -4.820 201 HG22 VAL 30 2HG2 VAL 30 12.705 -1.451 -3.913 202 HG23 VAL 30 3HG2 VAL 30 12.726 -1.333 -5.672 203 HA PRO 31 HA PRO 31 13.700 5.272 -4.018 204 HB2 PRO 31 1HB PRO 31 13.592 5.805 -1.359 205 HB3 PRO 31 2HB PRO 31 12.158 5.782 -2.393 206 HG2 PRO 31 1HG PRO 31 13.201 3.663 -0.553 207 HG3 PRO 31 2HG PRO 31 11.533 4.211 -0.797 208 HD2 PRO 31 1HD PRO 31 12.505 1.952 -1.931 209 HD3 PRO 31 2HD PRO 31 11.268 2.957 -2.713 210 H ARG 32 H ARG 32 15.578 6.430 -3.457 211 HA ARG 32 HA ARG 32 17.811 4.724 -2.663 212 HB2 ARG 32 1HB ARG 32 17.638 7.420 -3.997 213 HB3 ARG 32 2HB ARG 32 19.160 6.773 -3.398 214 HG2 ARG 32 1HG ARG 32 19.237 5.111 -4.987 215 HG3 ARG 32 2HG ARG 32 17.491 5.130 -5.242 216 HD2 ARG 32 1HD ARG 32 17.577 6.977 -6.618 217 HD3 ARG 32 2HD ARG 32 19.096 7.549 -5.928 218 HE ARG 32 HE ARG 32 18.776 5.775 -8.142 219 HH11 ARG 32 2HH1 ARG 32 20.858 6.597 -5.476 220 HH12 ARG 32 1HH1 ARG 32 22.289 5.981 -6.234 221 HH21 ARG 32 2HH2 ARG 32 20.653 4.961 -9.151 222 HH22 ARG 32 1HH2 ARG 32 22.171 5.051 -8.325 223 H ALA 33 H ALA 33 18.122 4.625 -0.529 224 HA ALA 33 HA ALA 33 17.759 7.045 1.087 225 HB1 ALA 33 1HB ALA 33 18.269 4.296 2.175 226 HB2 ALA 33 2HB ALA 33 17.498 5.673 2.963 227 HB3 ALA 33 3HB ALA 33 16.659 4.812 1.672 228 HA PRO 34 HA PRO 34 22.112 7.646 1.436 229 HB2 PRO 34 1HB PRO 34 22.134 9.152 3.695 230 HB3 PRO 34 2HB PRO 34 21.604 9.777 2.129 231 HG2 PRO 34 1HG PRO 34 19.962 8.780 4.424 232 HG3 PRO 34 2HG PRO 34 19.704 10.205 3.400 233 HD2 PRO 34 1HD PRO 34 18.349 7.888 3.041 234 HD3 PRO 34 2HD PRO 34 18.771 8.966 1.695 235 H SER 35 H SER 35 20.215 6.041 3.815 236 HA SER 35 HA SER 35 22.639 5.114 5.204 237 HB2 SER 35 1HB SER 35 19.751 5.183 6.101 238 HB3 SER 35 2HB SER 35 21.037 4.384 7.005 239 HG SER 35 HG SER 35 21.951 6.308 7.439 240 H GLY 36 H GLY 36 23.355 3.272 4.344 241 HA2 GLY 36 1HA GLY 36 23.310 1.237 3.230 242 HA3 GLY 36 2HA GLY 36 22.288 0.819 4.597 243 H ALA 37 H ALA 37 20.602 -0.300 3.888 244 HA ALA 37 HA ALA 37 19.218 0.660 1.468 245 HB1 ALA 37 1HB ALA 37 18.698 -1.550 0.848 246 HB2 ALA 37 2HB ALA 37 20.401 -1.580 1.306 247 HB3 ALA 37 3HB ALA 37 19.178 -2.190 2.420 248 H VAL 38 H VAL 38 16.908 0.355 1.414 249 HA VAL 38 HA VAL 38 15.655 1.073 3.866 250 HB VAL 38 HB VAL 38 14.366 0.230 1.267 251 HG11 VAL 38 1HG1 VAL 38 13.111 2.038 3.284 252 HG12 VAL 38 2HG1 VAL 38 12.351 1.016 2.062 253 HG13 VAL 38 3HG1 VAL 38 13.042 0.291 3.515 254 HG21 VAL 38 1HG2 VAL 38 14.846 3.036 2.238 255 HG22 VAL 38 2HG2 VAL 38 15.969 2.188 1.176 256 HG23 VAL 38 3HG2 VAL 38 14.321 2.510 0.639 257 H LEU 39 H LEU 39 14.432 -0.101 5.259 258 HA LEU 39 HA LEU 39 14.695 -2.979 5.130 259 HB2 LEU 39 1HB LEU 39 13.353 -1.240 7.195 260 HB3 LEU 39 2HB LEU 39 13.700 -2.961 7.357 261 HG LEU 39 HG LEU 39 15.925 -1.003 6.925 262 HD11 LEU 39 1HD1 LEU 39 15.500 -1.704 9.701 263 HD12 LEU 39 2HD1 LEU 39 14.161 -0.764 9.044 264 HD13 LEU 39 3HD1 LEU 39 15.805 -0.130 8.966 265 HD21 LEU 39 1HD2 LEU 39 16.821 -2.893 8.617 266 HD22 LEU 39 2HD2 LEU 39 16.910 -3.032 6.861 267 HD23 LEU 39 3HD2 LEU 39 15.598 -3.817 7.743 268 H ASP 40 H ASP 40 12.517 -4.038 6.210 269 HA ASP 40 HA ASP 40 10.742 -4.465 4.196 270 HB2 ASP 40 1HB ASP 40 9.054 -4.964 6.110 271 HB3 ASP 40 2HB ASP 40 10.529 -5.920 6.003 272 H TYR 41 H TYR 41 8.573 -3.771 3.766 273 HA TYR 41 HA TYR 41 8.138 -0.945 4.471 274 HB2 TYR 41 1HB TYR 41 7.098 -2.431 2.051 275 HB3 TYR 41 2HB TYR 41 6.944 -0.707 2.371 276 HD1 TYR 41 1HD TYR 41 9.589 -3.324 2.012 277 HD2 TYR 41 2HD TYR 41 8.459 0.729 1.379 278 HE1 TYR 41 1HE TYR 41 11.708 -2.924 0.829 279 HE2 TYR 41 2HE TYR 41 10.574 1.140 0.194 280 HH TYR 41 HH TYR 41 12.760 0.250 -0.033 281 H GLU 42 H GLU 42 5.764 -0.300 4.344 282 HA GLU 42 HA GLU 42 4.006 -2.433 5.331 283 HB2 GLU 42 1HB GLU 42 5.103 -0.913 7.154 284 HB3 GLU 42 2HB GLU 42 3.925 0.275 6.612 285 HG2 GLU 42 1HG GLU 42 2.982 -2.460 7.297 286 HG3 GLU 42 2HG GLU 42 3.407 -1.352 8.600 287 H VAL 43 H VAL 43 2.167 -2.478 4.234 288 HA VAL 43 HA VAL 43 1.364 -0.091 2.723 289 HB VAL 43 HB VAL 43 0.707 -3.009 2.362 290 HG11 VAL 43 1HG1 VAL 43 -0.651 -0.586 1.260 291 HG12 VAL 43 2HG1 VAL 43 -0.545 -2.056 0.289 292 HG13 VAL 43 3HG1 VAL 43 -1.352 -2.090 1.858 293 HG21 VAL 43 1HG2 VAL 43 1.548 -1.671 -0.003 294 HG22 VAL 43 2HG2 VAL 43 2.677 -1.273 1.292 295 HG23 VAL 43 3HG2 VAL 43 2.364 -2.960 0.884 296 H LYS 44 H LYS 44 -0.243 1.093 3.493 297 HA LYS 44 HA LYS 44 -2.194 -0.172 5.298 298 HB2 LYS 44 1HB LYS 44 -0.798 1.687 6.232 299 HB3 LYS 44 2HB LYS 44 -1.535 2.768 5.057 300 HG2 LYS 44 1HG LYS 44 -3.562 2.774 6.124 301 HG3 LYS 44 2HG LYS 44 -3.300 1.193 6.864 302 HD2 LYS 44 1HD LYS 44 -3.042 2.572 8.685 303 HD3 LYS 44 2HD LYS 44 -1.373 2.449 8.125 304 HE2 LYS 44 1HE LYS 44 -1.569 4.719 8.407 305 HE3 LYS 44 2HE LYS 44 -2.015 4.556 6.709 306 HZ1 LYS 44 1HZ LYS 44 -4.388 4.398 7.589 307 HZ2 LYS 44 2HZ LYS 44 -3.649 5.919 7.603 308 HZ3 LYS 44 3HZ LYS 44 -3.773 5.026 9.034 309 H TYR 45 H TYR 45 -4.095 -0.580 4.400 310 HA TYR 45 HA TYR 45 -5.164 1.336 2.438 311 HB2 TYR 45 1HB TYR 45 -6.135 -0.511 1.174 312 HB3 TYR 45 2HB TYR 45 -4.390 -0.707 1.293 313 HD1 TYR 45 2HD TYR 45 -3.602 -2.183 3.355 314 HD2 TYR 45 1HD TYR 45 -7.468 -2.349 1.588 315 HE1 TYR 45 2HE TYR 45 -3.914 -4.446 4.266 316 HE2 TYR 45 1HE TYR 45 -7.792 -4.612 2.495 317 HH TYR 45 HH TYR 45 -6.057 -5.892 4.904 318 H HIS 46 H HIS 46 -7.173 2.038 2.822 319 HA HIS 46 HA HIS 46 -8.945 0.484 4.553 320 HB2 HIS 46 1HB HIS 46 -9.299 2.161 6.125 321 HB3 HIS 46 2HB HIS 46 -7.567 2.287 5.832 322 HD1 HIS 46 1HD HIS 46 -6.755 4.346 4.430 323 HD2 HIS 46 2HD HIS 46 -10.796 4.375 5.394 324 HE1 HIS 46 1HE HIS 46 -7.537 6.692 3.976 325 HE2 HIS 46 2HE HIS 46 -9.965 6.708 4.647 326 H GLU 47 H GLU 47 -11.109 0.748 4.130 327 HA GLU 47 HA GLU 47 -11.907 1.504 1.589 328 HB2 GLU 47 1HB GLU 47 -13.124 0.148 3.493 329 HB3 GLU 47 2HB GLU 47 -13.846 1.710 3.855 330 HG2 GLU 47 1HG GLU 47 -14.390 1.738 1.310 331 HG3 GLU 47 2HG GLU 47 -14.157 -0.004 1.437 332 H LYS 48 H LYS 48 -12.654 3.338 0.655 333 HA LYS 48 HA LYS 48 -11.864 5.826 1.538 334 HB2 LYS 48 1HB LYS 48 -12.466 5.482 -0.764 335 HB3 LYS 48 2HB LYS 48 -14.119 5.071 -0.325 336 HG2 LYS 48 1HG LYS 48 -14.416 7.219 -1.013 337 HG3 LYS 48 2HG LYS 48 -14.094 7.496 0.700 338 HD2 LYS 48 1HD LYS 48 -11.917 8.230 0.295 339 HD3 LYS 48 2HD LYS 48 -11.863 7.485 -1.304 340 HE2 LYS 48 1HE LYS 48 -13.779 9.706 -0.674 341 HE3 LYS 48 2HE LYS 48 -12.117 10.038 -1.157 342 HZ1 LYS 48 1HZ LYS 48 -14.345 9.227 -2.755 343 HZ2 LYS 48 2HZ LYS 48 -12.997 8.236 -3.001 344 HZ3 LYS 48 3HZ LYS 48 -12.870 9.907 -3.230 345 H GLY 49 H GLY 49 -14.982 4.214 2.011 346 HA2 GLY 49 1HA GLY 49 -15.898 6.469 3.648 347 HA3 GLY 49 2HA GLY 49 -16.899 5.152 3.055 348 H ALA 50 H ALA 50 -14.119 5.714 5.210 349 HA ALA 50 HA ALA 50 -15.362 4.552 7.455 350 HB1 ALA 50 1HB ALA 50 -13.807 2.732 5.711 351 HB2 ALA 50 2HB ALA 50 -13.570 2.581 7.453 352 HB3 ALA 50 3HB ALA 50 -15.183 2.398 6.764 353 H GLU 51 H GLU 51 -14.197 4.907 9.312 354 HA GLU 51 HA GLU 51 -11.411 5.773 9.055 355 HB2 GLU 51 1HB GLU 51 -13.580 7.362 10.435 356 HB3 GLU 51 2HB GLU 51 -11.861 7.716 10.535 357 HG2 GLU 51 1HG GLU 51 -13.257 7.583 7.892 358 HG3 GLU 51 2HG GLU 51 -13.303 9.043 8.879 359 H GLY 52 H GLY 52 -10.324 5.955 11.194 360 HA2 GLY 52 1HA GLY 52 -10.734 5.405 13.641 361 HA3 GLY 52 2HA GLY 52 -11.402 3.902 13.021 362 HA PRO 53 HA PRO 53 -6.657 3.797 13.664 363 HB2 PRO 53 1HB PRO 53 -6.556 2.634 16.115 364 HB3 PRO 53 2HB PRO 53 -6.561 4.386 15.883 365 HG2 PRO 53 1HG PRO 53 -8.826 2.564 16.599 366 HG3 PRO 53 2HG PRO 53 -8.416 4.155 17.266 367 HD2 PRO 53 1HD PRO 53 -10.362 3.808 15.415 368 HD3 PRO 53 2HD PRO 53 -9.377 5.282 15.500 369 H SER 54 H SER 54 -9.340 1.645 14.224 370 HA SER 54 HA SER 54 -7.646 -0.684 13.639 371 HB2 SER 54 1HB SER 54 -9.106 -0.711 15.694 372 HB3 SER 54 2HB SER 54 -10.507 -0.692 14.623 373 HG SER 54 HG SER 54 -9.594 -2.814 15.410 374 H SER 55 H SER 55 -10.484 1.087 12.560 375 HA SER 55 HA SER 55 -11.642 -0.514 10.718 376 HB2 SER 55 1HB SER 55 -12.622 1.577 10.808 377 HB3 SER 55 2HB SER 55 -11.076 2.422 10.733 378 HG SER 55 HG SER 55 -11.045 2.219 8.587 379 H VAL 56 H VAL 56 -8.766 1.489 10.079 380 HA VAL 56 HA VAL 56 -8.356 0.430 7.465 381 HB VAL 56 HB VAL 56 -7.450 2.571 7.820 382 HG11 VAL 56 1HG1 VAL 56 -5.430 2.354 9.734 383 HG12 VAL 56 2HG1 VAL 56 -6.968 3.203 9.897 384 HG13 VAL 56 3HG1 VAL 56 -6.822 1.528 10.432 385 HG21 VAL 56 1HG2 VAL 56 -4.897 1.089 8.115 386 HG22 VAL 56 2HG2 VAL 56 -5.945 0.650 6.766 387 HG23 VAL 56 3HG2 VAL 56 -5.369 2.308 6.931 388 H ARG 57 H ARG 57 -6.833 -1.050 6.741 389 HA ARG 57 HA ARG 57 -5.983 -2.993 8.754 390 HB2 ARG 57 1HB ARG 57 -6.236 -3.121 5.752 391 HB3 ARG 57 2HB ARG 57 -5.457 -4.390 6.688 392 HG2 ARG 57 1HG ARG 57 -8.276 -3.471 7.184 393 HG3 ARG 57 2HG ARG 57 -7.859 -4.794 6.094 394 HD2 ARG 57 1HD ARG 57 -6.744 -5.946 7.968 395 HD3 ARG 57 2HD ARG 57 -7.246 -4.642 9.043 396 HE ARG 57 HE ARG 57 -9.530 -5.625 7.793 397 HH11 ARG 57 2HH1 ARG 57 -7.083 -6.731 10.009 398 HH12 ARG 57 1HH1 ARG 57 -8.132 -7.852 10.812 399 HH21 ARG 57 2HH2 ARG 57 -10.921 -7.097 8.843 400 HH22 ARG 57 1HH2 ARG 57 -10.315 -8.059 10.148 401 H PHE 58 H PHE 58 -3.836 -4.130 8.182 402 HA PHE 58 HA PHE 58 -1.830 -2.254 7.179 403 HB2 PHE 58 1HB PHE 58 -2.006 -3.320 9.967 404 HB3 PHE 58 2HB PHE 58 -0.416 -3.081 9.250 405 HD1 PHE 58 2HD PHE 58 -3.641 -1.254 9.675 406 HD2 PHE 58 1HD PHE 58 0.609 -1.054 9.564 407 HE1 PHE 58 2HE PHE 58 -3.741 1.133 10.262 408 HE2 PHE 58 1HE PHE 58 0.516 1.333 10.152 409 HZ PHE 58 HZ PHE 58 -1.661 2.430 10.500 410 H LEU 59 H LEU 59 -0.301 -3.221 5.990 411 HA LEU 59 HA LEU 59 0.016 -6.137 6.231 412 HB2 LEU 59 1HB LEU 59 -1.270 -5.843 4.275 413 HB3 LEU 59 2HB LEU 59 -0.298 -4.469 3.753 414 HG LEU 59 HG LEU 59 1.606 -6.296 3.646 415 HD11 LEU 59 1HD1 LEU 59 0.618 -8.432 2.791 416 HD12 LEU 59 2HD1 LEU 59 -0.941 -7.882 3.404 417 HD13 LEU 59 3HD1 LEU 59 0.399 -8.151 4.518 418 HD21 LEU 59 1HD2 LEU 59 0.263 -6.826 1.281 419 HD22 LEU 59 2HD2 LEU 59 1.399 -5.509 1.574 420 HD23 LEU 59 3HD2 LEU 59 -0.333 -5.240 1.770 421 H LYS 60 H LYS 60 2.063 -6.883 6.252 422 HA LYS 60 HA LYS 60 4.216 -4.918 5.814 423 HB2 LYS 60 1HB LYS 60 3.869 -7.079 7.858 424 HB3 LYS 60 2HB LYS 60 5.491 -6.599 7.374 425 HG2 LYS 60 1HG LYS 60 5.150 -4.376 8.137 426 HG3 LYS 60 2HG LYS 60 3.423 -4.656 8.371 427 HD2 LYS 60 1HD LYS 60 4.041 -6.394 10.078 428 HD3 LYS 60 2HD LYS 60 5.711 -5.840 9.937 429 HE2 LYS 60 1HE LYS 60 4.906 -3.545 10.527 430 HE3 LYS 60 2HE LYS 60 3.322 -4.247 10.853 431 HZ1 LYS 60 1HZ LYS 60 4.144 -4.435 12.918 432 HZ2 LYS 60 2HZ LYS 60 5.758 -4.374 12.416 433 HZ3 LYS 60 3HZ LYS 60 4.896 -5.826 12.316 434 H THR 61 H THR 61 5.843 -5.425 4.454 435 HA THR 61 HA THR 61 6.217 -8.179 3.581 436 HB THR 61 HB THR 61 4.565 -7.341 1.990 437 HG1 THR 61 1HG THR 61 5.650 -8.106 0.279 438 HG21 THR 61 1HG2 THR 61 5.527 -4.900 2.323 439 HG22 THR 61 2HG2 THR 61 4.721 -5.370 0.826 440 HG23 THR 61 3HG2 THR 61 6.482 -5.336 0.906 441 H SER 62 H SER 62 8.320 -8.593 3.552 442 HA SER 62 HA SER 62 10.293 -6.655 4.001 443 HB2 SER 62 1HB SER 62 11.894 -8.424 3.717 444 HB3 SER 62 2HB SER 62 10.476 -9.119 4.502 445 HG SER 62 HG SER 62 11.153 -9.282 1.750 446 H GLU 63 H GLU 63 8.914 -7.909 1.064 447 HA GLU 63 HA GLU 63 10.986 -6.770 -0.614 448 HB2 GLU 63 1HB GLU 63 8.370 -8.116 -1.312 449 HB3 GLU 63 2HB GLU 63 9.572 -7.593 -2.484 450 HG2 GLU 63 1HG GLU 63 9.760 -9.798 -0.468 451 HG3 GLU 63 2HG GLU 63 9.941 -9.881 -2.219 452 H ASN 64 H ASN 64 10.144 -5.456 -2.571 453 HA ASN 64 HA ASN 64 8.735 -3.158 -1.471 454 HB2 ASN 64 1HB ASN 64 9.619 -1.906 -3.280 455 HB3 ASN 64 2HB ASN 64 10.915 -2.991 -2.783 456 HD21 ASN 64 1HD2 ASN 64 10.436 -1.663 -5.340 457 HD22 ASN 64 2HD2 ASN 64 10.364 -2.922 -6.521 458 H ARG 65 H ARG 65 7.467 -5.781 -2.376 459 HA ARG 65 HA ARG 65 5.284 -4.525 -3.849 460 HB2 ARG 65 1HB ARG 65 5.152 -6.328 -5.477 461 HB3 ARG 65 2HB ARG 65 6.723 -5.543 -5.567 462 HG2 ARG 65 1HG ARG 65 7.667 -7.380 -4.200 463 HG3 ARG 65 2HG ARG 65 6.097 -8.183 -4.264 464 HD2 ARG 65 1HD ARG 65 7.470 -7.344 -6.786 465 HD3 ARG 65 2HD ARG 65 7.947 -8.832 -5.970 466 HE ARG 65 HE ARG 65 5.233 -9.011 -6.175 467 HH11 ARG 65 2HH1 ARG 65 7.841 -8.513 -8.427 468 HH12 ARG 65 1HH1 ARG 65 7.023 -9.284 -9.746 469 HH21 ARG 65 2HH2 ARG 65 4.146 -10.029 -7.903 470 HH22 ARG 65 1HH2 ARG 65 4.921 -10.145 -9.447 471 H ALA 66 H ALA 66 3.272 -5.508 -3.543 472 HA ALA 66 HA ALA 66 3.089 -7.904 -1.916 473 HB1 ALA 66 1HB ALA 66 2.931 -6.797 0.012 474 HB2 ALA 66 2HB ALA 66 2.770 -5.240 -0.801 475 HB3 ALA 66 3HB ALA 66 1.350 -6.255 -0.552 476 H GLU 67 H GLU 67 0.635 -8.289 -1.400 477 HA GLU 67 HA GLU 67 -1.045 -7.364 -3.615 478 HB2 GLU 67 1HB GLU 67 -0.021 -9.532 -4.270 479 HB3 GLU 67 2HB GLU 67 -0.748 -10.274 -2.851 480 HG2 GLU 67 1HG GLU 67 -2.946 -9.912 -3.694 481 HG3 GLU 67 2HG GLU 67 -2.333 -8.925 -5.020 482 H LEU 68 H LEU 68 -3.072 -6.901 -3.014 483 HA LEU 68 HA LEU 68 -3.829 -7.448 -0.246 484 HB2 LEU 68 1HB LEU 68 -5.184 -5.685 -2.279 485 HB3 LEU 68 2HB LEU 68 -5.533 -5.761 -0.553 486 HG LEU 68 HG LEU 68 -3.041 -4.673 -1.858 487 HD11 LEU 68 1HD1 LEU 68 -3.805 -2.595 -0.657 488 HD12 LEU 68 2HD1 LEU 68 -5.337 -3.420 -0.373 489 HD13 LEU 68 3HD1 LEU 68 -4.801 -3.100 -2.022 490 HD21 LEU 68 1HD2 LEU 68 -3.699 -4.906 1.077 491 HD22 LEU 68 2HD2 LEU 68 -2.268 -4.146 0.380 492 HD23 LEU 68 3HD2 LEU 68 -2.512 -5.885 0.215 493 H ARG 69 H ARG 69 -5.478 -8.745 0.335 494 HA ARG 69 HA ARG 69 -6.986 -10.050 -1.834 495 HB2 ARG 69 1HB ARG 69 -6.354 -11.146 0.912 496 HB3 ARG 69 2HB ARG 69 -7.188 -11.996 -0.382 497 HG2 ARG 69 1HG ARG 69 -5.083 -12.855 -0.593 498 HG3 ARG 69 2HG ARG 69 -4.990 -11.495 -1.713 499 HD2 ARG 69 1HD ARG 69 -3.019 -11.390 -0.431 500 HD3 ARG 69 2HD ARG 69 -4.078 -10.145 0.230 501 HE ARG 69 HE ARG 69 -4.579 -12.348 1.760 502 HH11 ARG 69 2HH1 ARG 69 -1.730 -10.534 0.916 503 HH12 ARG 69 1HH1 ARG 69 -0.911 -10.879 2.403 504 HH21 ARG 69 2HH2 ARG 69 -3.511 -12.810 3.722 505 HH22 ARG 69 1HH2 ARG 69 -1.924 -12.174 3.998 506 H GLY 70 H GLY 70 -9.199 -10.646 -1.386 507 HA2 GLY 70 1HA GLY 70 -11.324 -10.236 -0.620 508 HA3 GLY 70 2HA GLY 70 -10.595 -9.797 0.918 509 H LEU 71 H LEU 71 -11.913 -8.645 -2.062 510 HA LEU 71 HA LEU 71 -12.012 -5.950 -0.944 511 HB2 LEU 71 1HB LEU 71 -11.008 -6.553 -3.722 512 HB3 LEU 71 2HB LEU 71 -11.318 -4.946 -3.069 513 HG LEU 71 HG LEU 71 -9.332 -6.750 -1.741 514 HD11 LEU 71 1HD1 LEU 71 -8.000 -4.946 -3.480 515 HD12 LEU 71 2HD1 LEU 71 -9.144 -5.889 -4.435 516 HD13 LEU 71 3HD1 LEU 71 -7.929 -6.708 -3.454 517 HD21 LEU 71 1HD2 LEU 71 -8.719 -4.904 -0.619 518 HD22 LEU 71 2HD2 LEU 71 -10.308 -4.303 -1.095 519 HD23 LEU 71 3HD2 LEU 71 -8.881 -3.863 -2.034 520 H LYS 72 H LYS 72 -13.368 -4.513 -2.515 521 HA LYS 72 HA LYS 72 -15.777 -6.056 -3.161 522 HB2 LYS 72 1HB LYS 72 -15.330 -3.123 -2.606 523 HB3 LYS 72 2HB LYS 72 -16.859 -3.761 -3.198 524 HG2 LYS 72 1HG LYS 72 -15.667 -4.975 -0.759 525 HG3 LYS 72 2HG LYS 72 -16.429 -3.387 -0.634 526 HD2 LYS 72 1HD LYS 72 -18.409 -4.482 -1.868 527 HD3 LYS 72 2HD LYS 72 -17.653 -6.012 -1.418 528 HE2 LYS 72 1HE LYS 72 -18.215 -3.873 0.612 529 HE3 LYS 72 2HE LYS 72 -19.445 -5.045 0.143 530 HZ1 LYS 72 1HZ LYS 72 -17.174 -6.513 0.662 531 HZ2 LYS 72 2HZ LYS 72 -18.557 -6.406 1.629 532 HZ3 LYS 72 3HZ LYS 72 -17.249 -5.370 1.908 533 H ARG 73 H ARG 73 -13.234 -5.519 -4.830 534 HA ARG 73 HA ARG 73 -12.670 -4.828 -6.958 535 HB2 ARG 73 1HB ARG 73 -13.990 -7.051 -7.058 536 HB3 ARG 73 2HB ARG 73 -15.294 -6.077 -7.724 537 HG2 ARG 73 1HG ARG 73 -13.722 -5.318 -9.504 538 HG3 ARG 73 2HG ARG 73 -12.547 -6.477 -8.880 539 HD2 ARG 73 1HD ARG 73 -13.966 -8.315 -9.397 540 HD3 ARG 73 2HD ARG 73 -15.323 -7.246 -9.750 541 HE ARG 73 HE ARG 73 -13.120 -6.697 -11.453 542 HH11 ARG 73 2HH1 ARG 73 -15.715 -8.957 -10.927 543 HH12 ARG 73 1HH1 ARG 73 -15.815 -9.430 -12.591 544 HH21 ARG 73 2HH2 ARG 73 -13.241 -7.311 -13.646 545 HH22 ARG 73 1HH2 ARG 73 -14.407 -8.494 -14.136 546 H GLY 74 H GLY 74 -13.600 -2.612 -5.813 547 HA2 GLY 74 1HA GLY 74 -14.335 -0.931 -7.839 548 HA3 GLY 74 2HA GLY 74 -15.864 -1.492 -7.179 549 H ALA 75 H ALA 75 -15.492 -1.563 -4.527 550 HA ALA 75 HA ALA 75 -15.881 0.997 -3.648 551 HB1 ALA 75 1HB ALA 75 -14.657 -1.265 -2.073 552 HB2 ALA 75 2HB ALA 75 -15.399 0.184 -1.392 553 HB3 ALA 75 3HB ALA 75 -16.381 -0.967 -2.298 554 H SER 76 H SER 76 -14.604 2.710 -3.861 555 HA SER 76 HA SER 76 -11.977 2.865 -4.493 556 HB2 SER 76 1HB SER 76 -13.446 4.726 -2.608 557 HB3 SER 76 2HB SER 76 -11.942 5.107 -3.448 558 HG SER 76 HG SER 76 -13.820 5.898 -4.534 559 H TYR 77 H TYR 77 -10.115 2.299 -3.593 560 HA TYR 77 HA TYR 77 -10.018 1.948 -0.668 561 HB2 TYR 77 1HB TYR 77 -9.007 0.204 -2.878 562 HB3 TYR 77 2HB TYR 77 -8.141 0.230 -1.346 563 HD1 TYR 77 1HD TYR 77 -9.600 -0.163 0.787 564 HD2 TYR 77 2HD TYR 77 -10.791 -1.253 -3.150 565 HE1 TYR 77 1HE TYR 77 -11.202 -1.775 1.725 566 HE2 TYR 77 2HE TYR 77 -12.398 -2.868 -2.222 567 HH TYR 77 HH TYR 77 -12.374 -3.820 1.035 568 H LEU 78 H LEU 78 -8.714 3.367 0.258 569 HA LEU 78 HA LEU 78 -6.689 4.745 -1.295 570 HB2 LEU 78 1HB LEU 78 -7.606 5.048 1.559 571 HB3 LEU 78 2HB LEU 78 -6.359 6.043 0.810 572 HG LEU 78 HG LEU 78 -8.585 7.138 0.955 573 HD11 LEU 78 1HD1 LEU 78 -7.685 6.652 -1.878 574 HD12 LEU 78 2HD1 LEU 78 -6.872 7.734 -0.748 575 HD13 LEU 78 3HD1 LEU 78 -8.530 8.067 -1.249 576 HD21 LEU 78 1HD2 LEU 78 -9.435 5.191 -1.177 577 HD22 LEU 78 2HD2 LEU 78 -10.412 6.417 -0.369 578 HD23 LEU 78 3HD2 LEU 78 -9.856 5.002 0.526 579 H VAL 79 H VAL 79 -4.891 3.577 -1.629 580 HA VAL 79 HA VAL 79 -3.758 2.015 0.573 581 HB VAL 79 HB VAL 79 -2.712 2.118 -2.249 582 HG11 VAL 79 1HG1 VAL 79 -1.116 0.944 -1.178 583 HG12 VAL 79 2HG1 VAL 79 -2.173 0.536 0.175 584 HG13 VAL 79 3HG1 VAL 79 -2.268 -0.382 -1.329 585 HG21 VAL 79 1HG2 VAL 79 -4.096 0.266 -2.837 586 HG22 VAL 79 2HG2 VAL 79 -4.716 0.131 -1.192 587 HG23 VAL 79 3HG2 VAL 79 -5.147 1.523 -2.185 588 H GLN 80 H GLN 80 -1.715 2.361 1.393 589 HA GLN 80 HA GLN 80 -0.177 4.631 0.377 590 HB2 GLN 80 1HB GLN 80 -1.121 4.330 3.230 591 HB3 GLN 80 2HB GLN 80 0.146 5.443 2.732 592 HG2 GLN 80 1HG GLN 80 -1.306 6.869 1.716 593 HG3 GLN 80 2HG GLN 80 -2.458 5.594 1.325 594 HE21 GLN 80 1HE2 GLN 80 -4.063 5.101 2.744 595 HE22 GLN 80 2HE2 GLN 80 -4.367 5.989 4.194 596 H VAL 81 H VAL 81 1.811 3.923 0.026 597 HA VAL 81 HA VAL 81 2.835 1.677 1.607 598 HB VAL 81 HB VAL 81 3.921 2.880 -0.944 599 HG11 VAL 81 1HG1 VAL 81 4.993 0.954 0.958 600 HG12 VAL 81 2HG1 VAL 81 4.922 0.329 -0.691 601 HG13 VAL 81 3HG1 VAL 81 5.796 1.823 -0.350 602 HG21 VAL 81 1HG2 VAL 81 1.668 1.654 -0.999 603 HG22 VAL 81 2HG2 VAL 81 2.917 1.132 -2.129 604 HG23 VAL 81 3HG2 VAL 81 2.605 0.197 -0.666 605 H ARG 82 H ARG 82 4.416 1.918 3.056 606 HA ARG 82 HA ARG 82 5.898 4.465 3.083 607 HB2 ARG 82 1HB ARG 82 5.892 4.443 5.477 608 HB3 ARG 82 2HB ARG 82 4.234 4.212 4.939 609 HG2 ARG 82 1HG ARG 82 4.160 2.032 5.649 610 HG3 ARG 82 2HG ARG 82 5.909 1.823 5.532 611 HD2 ARG 82 1HD ARG 82 5.705 1.954 7.798 612 HD3 ARG 82 2HD ARG 82 5.887 3.668 7.428 613 HE ARG 82 HE ARG 82 3.159 2.723 7.486 614 HH11 ARG 82 2HH1 ARG 82 5.791 4.101 9.301 615 HH12 ARG 82 1HH1 ARG 82 4.766 4.773 10.525 616 HH21 ARG 82 2HH2 ARG 82 1.800 3.604 9.091 617 HH22 ARG 82 1HH2 ARG 82 2.496 4.490 10.406 618 H ALA 83 H ALA 83 8.012 4.317 4.247 619 HA ALA 83 HA ALA 83 9.258 1.674 3.868 620 HB1 ALA 83 1HB ALA 83 10.675 4.271 3.332 621 HB2 ALA 83 2HB ALA 83 11.180 2.637 2.898 622 HB3 ALA 83 3HB ALA 83 9.807 3.382 2.080 623 H ARG 84 H ARG 84 10.884 1.092 5.313 624 HA ARG 84 HA ARG 84 11.162 2.845 7.666 625 HB2 ARG 84 1HB ARG 84 9.805 0.972 8.299 626 HB3 ARG 84 2HB ARG 84 10.914 -0.160 7.538 627 HG2 ARG 84 1HG ARG 84 11.486 -0.413 9.734 628 HG3 ARG 84 2HG ARG 84 12.626 0.843 9.246 629 HD2 ARG 84 1HD ARG 84 10.997 2.539 10.081 630 HD3 ARG 84 2HD ARG 84 10.017 1.214 10.708 631 HE ARG 84 HE ARG 84 12.752 1.196 11.614 632 HH11 ARG 84 2HH1 ARG 84 9.528 2.369 12.205 633 HH12 ARG 84 1HH1 ARG 84 9.791 2.624 13.898 634 HH21 ARG 84 2HH2 ARG 84 13.110 1.527 13.842 635 HH22 ARG 84 1HH2 ARG 84 11.829 2.145 14.828 636 H SER 85 H SER 85 13.176 3.128 8.512 637 HA SER 85 HA SER 85 15.395 1.635 7.291 638 HB2 SER 85 1HB SER 85 16.606 3.547 6.760 639 HB3 SER 85 2HB SER 85 14.960 4.056 6.387 640 HG SER 85 HG SER 85 16.393 5.464 7.771 641 H GLU 86 H GLU 86 17.475 1.989 8.541 642 HA GLU 86 HA GLU 86 17.340 1.016 11.069 643 HB2 GLU 86 1HB GLU 86 19.376 2.745 9.714 644 HB3 GLU 86 2HB GLU 86 19.583 2.333 11.411 645 HG2 GLU 86 1HG GLU 86 19.687 0.014 10.923 646 HG3 GLU 86 2HG GLU 86 19.178 0.279 9.256 647 H ALA 87 H ALA 87 17.000 4.366 10.096 648 HA ALA 87 HA ALA 87 17.146 5.489 12.702 649 HB1 ALA 87 1HB ALA 87 17.520 6.801 10.662 650 HB2 ALA 87 2HB ALA 87 15.819 6.607 10.235 651 HB3 ALA 87 3HB ALA 87 16.268 7.509 11.682 652 H GLY 88 H GLY 88 14.289 5.302 10.566 653 HA2 GLY 88 1HA GLY 88 12.603 3.984 12.364 654 HA3 GLY 88 2HA GLY 88 12.438 5.709 12.657 655 H TYR 89 H TYR 89 10.197 4.569 11.941 656 HA TYR 89 HA TYR 89 9.673 4.147 9.235 657 HB2 TYR 89 1HB TYR 89 8.028 4.844 11.617 658 HB3 TYR 89 2HB TYR 89 7.292 5.053 10.032 659 HD1 TYR 89 2HD TYR 89 8.138 2.847 8.456 660 HD2 TYR 89 1HD TYR 89 7.258 2.919 12.619 661 HE1 TYR 89 2HE TYR 89 7.613 0.446 8.381 662 HE2 TYR 89 1HE TYR 89 6.732 0.517 12.555 663 HH TYR 89 HH TYR 89 6.758 -1.289 9.510 664 H GLY 90 H GLY 90 8.871 5.461 7.591 665 HA2 GLY 90 1HA GLY 90 9.437 8.331 7.968 666 HA3 GLY 90 2HA GLY 90 9.545 7.478 6.435 667 HA PRO 91 HA PRO 91 5.391 9.667 6.940 668 HB2 PRO 91 1HB PRO 91 5.724 11.468 4.936 669 HB3 PRO 91 2HB PRO 91 6.205 11.790 6.606 670 HG2 PRO 91 1HG PRO 91 7.884 10.922 4.284 671 HG3 PRO 91 2HG PRO 91 8.234 12.140 5.524 672 HD2 PRO 91 1HD PRO 91 9.267 9.638 5.607 673 HD3 PRO 91 2HD PRO 91 8.878 10.560 7.074 674 H PHE 92 H PHE 92 3.781 8.654 5.935 675 HA PHE 92 HA PHE 92 4.035 6.832 3.892 676 HB2 PHE 92 1HB PHE 92 1.741 8.370 5.013 677 HB3 PHE 92 2HB PHE 92 1.487 7.497 3.505 678 HD1 PHE 92 1HD PHE 92 2.265 5.001 3.513 679 HD2 PHE 92 2HD PHE 92 1.420 7.276 7.010 680 HE1 PHE 92 1HE PHE 92 1.909 2.920 4.777 681 HE2 PHE 92 2HE PHE 92 1.064 5.198 8.279 682 HZ PHE 92 HZ PHE 92 1.309 3.017 7.163 683 H GLY 93 H GLY 93 4.712 7.096 1.874 684 HA2 GLY 93 1HA GLY 93 5.051 9.491 0.533 685 HA3 GLY 93 2HA GLY 93 4.909 7.928 -0.258 686 H GLN 94 H GLN 94 3.998 9.916 -1.702 687 HA GLN 94 HA GLN 94 1.503 10.979 -1.364 688 HB2 GLN 94 1HB GLN 94 2.794 11.605 -3.270 689 HB3 GLN 94 2HB GLN 94 2.827 9.953 -3.871 690 HG2 GLN 94 1HG GLN 94 0.417 10.058 -4.279 691 HG3 GLN 94 2HG GLN 94 0.398 11.721 -3.695 692 HE21 GLN 94 1HE2 GLN 94 -0.327 10.629 -6.308 693 HE22 GLN 94 2HE2 GLN 94 0.661 11.456 -7.459 694 H GLU 95 H GLU 95 -0.376 10.083 -0.868 695 HA GLU 95 HA GLU 95 -0.941 7.367 -0.869 696 HB2 GLU 95 1HB GLU 95 -3.282 7.997 -0.553 697 HB3 GLU 95 2HB GLU 95 -2.223 9.005 0.424 698 HG2 GLU 95 1HG GLU 95 -2.362 10.695 -1.482 699 HG3 GLU 95 2HG GLU 95 -3.716 9.731 -2.070 700 H HIS 96 H HIS 96 -2.605 6.212 -2.132 701 HA HIS 96 HA HIS 96 -2.781 7.115 -4.922 702 HB2 HIS 96 1HB HIS 96 -0.955 5.509 -4.837 703 HB3 HIS 96 2HB HIS 96 -1.980 4.346 -4.002 704 HD1 HIS 96 1HD HIS 96 -2.236 6.281 -7.281 705 HD2 HIS 96 2HD HIS 96 -2.857 2.477 -5.729 706 HE1 HIS 96 1HE HIS 96 -3.011 4.881 -9.221 707 HE2 HIS 96 2HE HIS 96 -3.462 2.606 -8.240 708 H HIS 97 H HIS 97 -4.469 5.977 -6.161 709 HA HIS 97 HA HIS 97 -6.693 5.149 -4.412 710 HB2 HIS 97 1HB HIS 97 -7.032 7.339 -5.549 711 HB3 HIS 97 2HB HIS 97 -6.892 6.519 -7.102 712 HD1 HIS 97 1HD HIS 97 -8.802 4.665 -7.571 713 HD2 HIS 97 2HD HIS 97 -9.544 7.358 -4.495 714 HE1 HIS 97 1HE HIS 97 -11.276 4.528 -7.140 715 HE2 HIS 97 2HE HIS 97 -11.715 6.229 -5.335 716 H SER 98 H SER 98 -6.856 3.002 -4.529 717 HA SER 98 HA SER 98 -5.896 1.199 -6.247 718 HB2 SER 98 1HB SER 98 -7.874 -0.246 -5.767 719 HB3 SER 98 2HB SER 98 -7.202 0.513 -4.324 720 HG SER 98 HG SER 98 -9.532 1.249 -5.758 721 H GLN 99 H GLN 99 -5.979 0.803 -8.353 722 HA GLN 99 HA GLN 99 -8.183 1.971 -9.910 723 HB2 GLN 99 1HB GLN 99 -5.307 1.409 -10.538 724 HB3 GLN 99 2HB GLN 99 -6.484 1.499 -11.842 725 HG2 GLN 99 1HG GLN 99 -7.071 3.758 -11.195 726 HG3 GLN 99 2HG GLN 99 -5.963 3.673 -9.827 727 HE21 GLN 99 1HE2 GLN 99 -6.325 4.620 -12.993 728 HE22 GLN 99 2HE2 GLN 99 -4.661 4.826 -13.407 729 H THR 100 H THR 100 -9.593 0.202 -9.499 730 HA THR 100 HA THR 100 -8.987 -2.141 -11.168 731 HB THR 100 HB THR 100 -8.674 -3.085 -9.055 732 HG1 THR 100 1HG THR 100 -10.529 -4.402 -8.777 733 HG21 THR 100 1HG2 THR 100 -9.542 -1.047 -7.838 734 HG22 THR 100 2HG2 THR 100 -9.922 -2.599 -7.089 735 HG23 THR 100 3HG2 THR 100 -11.156 -1.736 -8.006 736 H GLN 101 H GLN 101 -10.415 -2.149 -12.769 737 HA GLN 101 HA GLN 101 -12.349 -1.952 -13.952 738 HB2 GLN 101 1HB GLN 101 -13.557 -2.542 -11.245 739 HB3 GLN 101 2HB GLN 101 -14.441 -2.579 -12.765 740 HG2 GLN 101 1HG GLN 101 -11.992 -4.246 -12.475 741 HG3 GLN 101 2HG GLN 101 -13.488 -4.769 -11.705 742 HE21 GLN 101 1HE2 GLN 101 -15.402 -4.895 -13.116 743 HE22 GLN 101 2HE2 GLN 101 -15.180 -5.413 -14.749 744 H LEU 102 H LEU 102 -11.255 0.458 -13.266 745 HA LEU 102 HA LEU 102 -13.655 2.117 -12.988 746 HB2 LEU 102 1HB LEU 102 -11.057 2.553 -11.525 747 HB3 LEU 102 2HB LEU 102 -12.371 3.724 -11.604 748 HG LEU 102 HG LEU 102 -12.731 0.978 -10.430 749 HD11 LEU 102 1HD1 LEU 102 -10.985 1.958 -9.139 750 HD12 LEU 102 2HD1 LEU 102 -12.481 2.119 -8.221 751 HD13 LEU 102 3HD1 LEU 102 -11.820 3.510 -9.079 752 HD21 LEU 102 1HD2 LEU 102 -14.815 1.929 -10.884 753 HD22 LEU 102 2HD2 LEU 102 -14.283 3.546 -10.420 754 HD23 LEU 102 3HD2 LEU 102 -14.532 2.310 -9.186 755 H ASP 103 H ASP 103 -13.798 3.047 -14.925 756 HA ASP 103 HA ASP 103 -12.062 3.379 -16.920 757 HB2 ASP 103 1HB ASP 103 -13.985 5.515 -15.974 758 HB3 ASP 103 2HB ASP 103 -13.247 5.456 -17.572 759 H SER 104 H SER 104 -12.306 5.641 -14.187 760 HA SER 104 HA SER 104 -10.916 7.295 -13.453 761 HB2 SER 104 1HB SER 104 -8.965 5.158 -14.311 762 HB3 SER 104 2HB SER 104 -8.449 6.633 -13.494 763 HG SER 104 HG SER 104 -9.194 5.876 -11.677 764 H GLY 105 H GLY 105 -11.856 7.640 -16.118 765 HA2 GLY 105 1HA GLY 105 -11.320 9.634 -17.391 766 HA3 GLY 105 2HA GLY 105 -9.620 9.231 -17.200 767 HA PRO 106 HA PRO 106 -11.701 7.317 -21.106 768 HB2 PRO 106 1HB PRO 106 -11.422 9.328 -22.908 769 HB3 PRO 106 2HB PRO 106 -12.878 9.110 -21.930 770 HG2 PRO 106 1HG PRO 106 -10.578 10.980 -21.512 771 HG3 PRO 106 2HG PRO 106 -12.315 11.288 -21.339 772 HD2 PRO 106 1HD PRO 106 -10.702 10.815 -19.217 773 HD3 PRO 106 2HD PRO 106 -12.407 10.321 -19.249 774 H SER 107 H SER 107 -9.036 9.673 -20.982 775 HA SER 107 HA SER 107 -7.091 7.732 -21.705 776 HB2 SER 107 1HB SER 107 -8.293 8.279 -23.917 777 HB3 SER 107 2HB SER 107 -7.495 9.848 -23.811 778 HG SER 107 HG SER 107 -5.551 8.891 -24.030 779 H SER 108 H SER 108 -4.934 8.586 -21.708 780 HA SER 108 HA SER 108 -4.740 11.035 -20.126 781 HB2 SER 108 1HB SER 108 -3.576 8.701 -19.650 782 HB3 SER 108 2HB SER 108 -2.356 9.343 -20.750 783 HG SER 108 HG SER 108 -2.671 11.310 -19.234 784 H GLY 109 H GLY 109 -3.209 9.564 -22.989 785 HA2 GLY 109 1HA GLY 109 -2.307 10.528 -24.869 786 HA3 GLY 109 2HA GLY 109 -3.199 11.984 -24.454 Start of MODEL 17 1 H1 GLY 1 H GLY 1 5.094 25.524 12.489 2 HA2 GLY 1 1HA GLY 1 5.255 23.576 11.261 3 HA3 GLY 1 2HA GLY 1 6.283 24.433 10.122 4 H SER 2 H SER 2 6.168 22.340 12.859 5 HA SER 2 HA SER 2 8.975 22.471 13.454 6 HB2 SER 2 1HB SER 2 6.930 20.393 14.274 7 HB3 SER 2 2HB SER 2 8.530 20.612 14.982 8 HG SER 2 HG SER 2 7.867 22.665 15.694 9 H SER 3 H SER 3 10.520 20.826 13.099 10 HA SER 3 HA SER 3 10.011 19.287 10.655 11 HB2 SER 3 1HB SER 3 12.673 19.842 11.980 12 HB3 SER 3 2HB SER 3 12.401 19.211 10.356 13 HG SER 3 HG SER 3 11.116 21.364 10.237 14 H GLY 4 H GLY 4 11.244 17.155 10.533 15 HA2 GLY 4 1HA GLY 4 12.148 15.596 12.537 16 HA3 GLY 4 2HA GLY 4 10.410 15.552 12.797 17 H SER 5 H SER 5 12.743 15.196 10.123 18 HA SER 5 HA SER 5 11.052 13.025 9.073 19 HB2 SER 5 1HB SER 5 12.124 13.464 6.889 20 HB3 SER 5 2HB SER 5 11.303 14.893 7.514 21 HG SER 5 HG SER 5 13.652 15.166 8.454 22 H SER 6 H SER 6 11.875 11.281 10.159 23 HA SER 6 HA SER 6 14.745 10.727 9.789 24 HB2 SER 6 1HB SER 6 12.909 9.569 11.898 25 HB3 SER 6 2HB SER 6 14.655 9.353 11.785 26 HG SER 6 HG SER 6 14.649 11.021 13.082 27 H GLY 7 H GLY 7 15.309 9.039 8.573 28 HA2 GLY 7 1HA GLY 7 14.970 6.665 8.054 29 HA3 GLY 7 2HA GLY 7 13.247 7.005 7.990 30 HA PRO 8 HA PRO 8 14.982 7.081 3.670 31 HB2 PRO 8 1HB PRO 8 13.126 5.398 2.626 32 HB3 PRO 8 2HB PRO 8 14.625 4.831 3.371 33 HG2 PRO 8 1HG PRO 8 11.871 4.980 4.534 34 HG3 PRO 8 2HG PRO 8 13.071 3.681 4.663 35 HD2 PRO 8 1HD PRO 8 12.655 5.483 6.641 36 HD3 PRO 8 2HD PRO 8 14.246 4.761 6.325 37 HA PRO 9 HA PRO 9 12.081 9.994 2.110 38 HB2 PRO 9 1HB PRO 9 12.182 9.534 -0.564 39 HB3 PRO 9 2HB PRO 9 13.498 10.305 0.328 40 HG2 PRO 9 1HG PRO 9 13.223 7.459 -0.557 41 HG3 PRO 9 2HG PRO 9 14.644 8.518 -0.620 42 HD2 PRO 9 1HD PRO 9 14.306 6.646 1.308 43 HD3 PRO 9 2HD PRO 9 15.151 8.180 1.603 44 H ALA 10 H ALA 10 9.937 10.207 1.643 45 HA ALA 10 HA ALA 10 8.185 8.099 1.949 46 HB1 ALA 10 1HB ALA 10 7.222 10.301 0.240 47 HB2 ALA 10 2HB ALA 10 6.544 9.632 1.725 48 HB3 ALA 10 3HB ALA 10 7.892 10.767 1.804 49 H VAL 11 H VAL 11 7.905 6.360 0.727 50 HA VAL 11 HA VAL 11 8.881 5.779 -1.726 51 HB VAL 11 HB VAL 11 6.105 4.880 -0.994 52 HG11 VAL 11 1HG1 VAL 11 7.875 2.828 -1.893 53 HG12 VAL 11 2HG1 VAL 11 6.397 3.429 -2.648 54 HG13 VAL 11 3HG1 VAL 11 7.948 4.187 -3.014 55 HG21 VAL 11 1HG2 VAL 11 8.642 4.416 0.435 56 HG22 VAL 11 2HG2 VAL 11 6.980 4.350 1.021 57 HG23 VAL 11 3HG2 VAL 11 7.655 2.986 0.130 58 H SER 12 H SER 12 8.658 6.564 -3.707 59 HA SER 12 HA SER 12 6.155 7.965 -4.390 60 HB2 SER 12 1HB SER 12 7.438 9.485 -5.787 61 HB3 SER 12 2HB SER 12 8.101 9.499 -4.153 62 HG SER 12 HG SER 12 9.507 7.706 -5.190 63 H ASP 13 H ASP 13 6.116 8.234 -6.942 64 HA ASP 13 HA ASP 13 5.581 7.123 -8.863 65 HB2 ASP 13 1HB ASP 13 8.383 6.349 -8.219 66 HB3 ASP 13 2HB ASP 13 7.575 5.471 -9.515 67 H ILE 14 H ILE 14 4.100 6.045 -6.997 68 HA ILE 14 HA ILE 14 4.535 3.164 -6.895 69 HB ILE 14 HB ILE 14 2.437 4.912 -5.609 70 HG12 ILE 14 1HG1 ILE 14 4.485 3.239 -4.188 71 HG13 ILE 14 2HG1 ILE 14 4.922 4.824 -4.816 72 HG21 ILE 14 1HG2 ILE 14 1.575 2.662 -6.209 73 HG22 ILE 14 2HG2 ILE 14 2.855 1.952 -5.227 74 HG23 ILE 14 3HG2 ILE 14 1.621 2.959 -4.471 75 HD11 ILE 14 1HD1 ILE 14 4.318 5.402 -2.710 76 HD12 ILE 14 2HD1 ILE 14 2.746 5.537 -3.499 77 HD13 ILE 14 3HD1 ILE 14 3.143 4.094 -2.566 78 H ARG 15 H ARG 15 3.800 1.939 -8.490 79 HA ARG 15 HA ARG 15 1.370 2.788 -9.920 80 HB2 ARG 15 1HB ARG 15 2.191 1.438 -11.811 81 HB3 ARG 15 2HB ARG 15 3.322 2.709 -11.368 82 HG2 ARG 15 1HG ARG 15 4.635 1.028 -10.102 83 HG3 ARG 15 2HG ARG 15 3.545 -0.219 -10.711 84 HD2 ARG 15 1HD ARG 15 5.190 -0.361 -12.284 85 HD3 ARG 15 2HD ARG 15 4.178 0.872 -13.034 86 HE ARG 15 HE ARG 15 5.960 2.270 -12.874 87 HH11 ARG 15 2HH1 ARG 15 6.183 -0.070 -10.306 88 HH12 ARG 15 1HH1 ARG 15 7.674 0.559 -9.686 89 HH21 ARG 15 2HH2 ARG 15 7.923 3.106 -12.068 90 HH22 ARG 15 1HH2 ARG 15 8.663 2.366 -10.689 91 H VAL 16 H VAL 16 -0.093 1.108 -10.630 92 HA VAL 16 HA VAL 16 -0.079 -1.215 -8.815 93 HB VAL 16 HB VAL 16 -2.440 0.216 -10.043 94 HG11 VAL 16 1HG1 VAL 16 -2.605 -2.315 -9.786 95 HG12 VAL 16 2HG1 VAL 16 -2.563 -2.025 -8.046 96 HG13 VAL 16 3HG1 VAL 16 -3.865 -1.346 -9.023 97 HG21 VAL 16 1HG2 VAL 16 -2.311 1.530 -8.254 98 HG22 VAL 16 2HG2 VAL 16 -2.646 0.118 -7.252 99 HG23 VAL 16 3HG2 VAL 16 -0.979 0.583 -7.592 100 H THR 17 H THR 17 0.559 -2.973 -9.876 101 HA THR 17 HA THR 17 -0.245 -3.318 -12.681 102 HB THR 17 HB THR 17 2.192 -3.448 -12.153 103 HG1 THR 17 1HG THR 17 1.285 -4.578 -13.958 104 HG21 THR 17 1HG2 THR 17 2.226 -4.457 -10.003 105 HG22 THR 17 2HG2 THR 17 2.948 -5.626 -11.109 106 HG23 THR 17 3HG2 THR 17 1.285 -5.840 -10.560 107 H ARG 18 H ARG 18 -0.735 -5.580 -13.357 108 HA ARG 18 HA ARG 18 -2.264 -7.279 -13.268 109 HB2 ARG 18 1HB ARG 18 -0.205 -8.170 -12.087 110 HB3 ARG 18 2HB ARG 18 -1.026 -7.821 -10.571 111 HG2 ARG 18 1HG ARG 18 -2.736 -9.402 -11.037 112 HG3 ARG 18 2HG ARG 18 -2.174 -9.609 -12.697 113 HD2 ARG 18 1HD ARG 18 0.001 -10.443 -11.723 114 HD3 ARG 18 2HD ARG 18 -0.808 -10.471 -10.157 115 HE ARG 18 HE ARG 18 -1.950 -12.351 -10.812 116 HH11 ARG 18 2HH1 ARG 18 -0.436 -10.888 -13.584 117 HH12 ARG 18 1HH1 ARG 18 -0.782 -12.218 -14.638 118 HH21 ARG 18 2HH2 ARG 18 -2.411 -14.109 -12.190 119 HH22 ARG 18 1HH2 ARG 18 -1.906 -14.049 -13.845 120 H SER 19 H SER 19 -3.499 -4.965 -12.575 121 HA SER 19 HA SER 19 -4.756 -4.885 -10.078 122 HB2 SER 19 1HB SER 19 -6.319 -3.337 -11.076 123 HB3 SER 19 2HB SER 19 -4.722 -3.024 -11.755 124 HG SER 19 HG SER 19 -6.425 -3.106 -13.333 125 H SER 20 H SER 20 -5.931 -6.458 -9.213 126 HA SER 20 HA SER 20 -7.659 -8.073 -10.955 127 HB2 SER 20 1HB SER 20 -6.235 -8.588 -8.391 128 HB3 SER 20 2HB SER 20 -7.773 -9.414 -8.644 129 HG SER 20 HG SER 20 -6.904 -10.589 -10.185 130 HA PRO 21 HA PRO 21 -11.385 -6.460 -9.296 131 HB2 PRO 21 1HB PRO 21 -12.943 -8.675 -9.108 132 HB3 PRO 21 2HB PRO 21 -12.512 -7.932 -10.653 133 HG2 PRO 21 1HG PRO 21 -11.307 -10.312 -9.294 134 HG3 PRO 21 2HG PRO 21 -11.717 -10.089 -11.005 135 HD2 PRO 21 1HD PRO 21 -9.189 -9.834 -10.067 136 HD3 PRO 21 2HD PRO 21 -9.800 -8.884 -11.437 137 H SER 22 H SER 22 -10.580 -9.552 -7.700 138 HA SER 22 HA SER 22 -11.721 -8.577 -5.205 139 HB2 SER 22 1HB SER 22 -11.286 -10.874 -4.381 140 HB3 SER 22 2HB SER 22 -12.241 -10.869 -5.864 141 HG SER 22 HG SER 22 -9.958 -12.110 -5.420 142 H SER 23 H SER 23 -8.628 -9.162 -6.677 143 HA SER 23 HA SER 23 -7.309 -8.377 -4.160 144 HB2 SER 23 1HB SER 23 -5.294 -9.571 -5.037 145 HB3 SER 23 2HB SER 23 -6.669 -10.636 -4.746 146 HG SER 23 HG SER 23 -7.127 -10.464 -7.013 147 H LEU 24 H LEU 24 -5.277 -7.163 -4.437 148 HA LEU 24 HA LEU 24 -5.050 -5.686 -6.947 149 HB2 LEU 24 1HB LEU 24 -5.274 -4.315 -4.273 150 HB3 LEU 24 2HB LEU 24 -5.035 -3.537 -5.836 151 HG LEU 24 HG LEU 24 -7.505 -5.104 -5.108 152 HD11 LEU 24 1HD1 LEU 24 -7.017 -3.013 -3.708 153 HD12 LEU 24 2HD1 LEU 24 -8.586 -3.130 -4.503 154 HD13 LEU 24 3HD1 LEU 24 -7.322 -2.114 -5.194 155 HD21 LEU 24 1HD2 LEU 24 -6.775 -4.692 -7.549 156 HD22 LEU 24 2HD2 LEU 24 -7.237 -3.018 -7.241 157 HD23 LEU 24 3HD2 LEU 24 -8.432 -4.306 -7.083 158 H SER 25 H SER 25 -3.012 -6.081 -7.508 159 HA SER 25 HA SER 25 -0.947 -6.494 -5.538 160 HB2 SER 25 1HB SER 25 -1.261 -7.582 -7.933 161 HB3 SER 25 2HB SER 25 -0.323 -6.179 -8.444 162 HG SER 25 HG SER 25 0.492 -8.425 -7.159 163 H LEU 26 H LEU 26 0.781 -5.176 -5.086 164 HA LEU 26 HA LEU 26 0.725 -2.481 -6.275 165 HB2 LEU 26 1HB LEU 26 1.361 -3.182 -3.413 166 HB3 LEU 26 2HB LEU 26 1.388 -1.567 -4.116 167 HG LEU 26 HG LEU 26 -1.147 -3.155 -4.129 168 HD11 LEU 26 1HD1 LEU 26 0.150 -2.830 -1.784 169 HD12 LEU 26 2HD1 LEU 26 -1.605 -2.854 -1.948 170 HD13 LEU 26 3HD1 LEU 26 -0.749 -1.315 -1.869 171 HD21 LEU 26 1HD2 LEU 26 -1.125 -1.119 -5.406 172 HD22 LEU 26 2HD2 LEU 26 -0.468 -0.218 -4.040 173 HD23 LEU 26 3HD2 LEU 26 -2.105 -0.872 -3.961 174 H ALA 27 H ALA 27 2.725 -1.425 -6.514 175 HA ALA 27 HA ALA 27 5.178 -2.748 -5.787 176 HB1 ALA 27 1HB ALA 27 4.109 -3.629 -8.116 177 HB2 ALA 27 2HB ALA 27 5.116 -2.299 -8.689 178 HB3 ALA 27 3HB ALA 27 5.836 -3.611 -7.755 179 H TRP 28 H TRP 28 6.624 -1.228 -5.325 180 HA TRP 28 HA TRP 28 6.284 1.433 -6.543 181 HB2 TRP 28 1HB TRP 28 7.738 2.037 -4.396 182 HB3 TRP 28 2HB TRP 28 5.982 1.911 -4.324 183 HD1 TRP 28 HD TRP 28 8.917 0.798 -2.507 184 HE1 TRP 28 1HE TRP 28 8.391 -1.224 -1.004 185 HE3 TRP 28 3HE TRP 28 4.411 -0.550 -4.510 186 HZ2 TRP 28 2HZ TRP 28 6.337 -3.138 -0.707 187 HZ3 TRP 28 3HZ TRP 28 3.230 -2.488 -3.559 188 HH2 TRP 28 HH TRP 28 4.175 -3.754 -1.698 189 H ALA 29 H ALA 29 8.382 2.726 -6.555 190 HA ALA 29 HA ALA 29 10.423 1.076 -7.823 191 HB1 ALA 29 1HB ALA 29 9.494 3.802 -8.099 192 HB2 ALA 29 2HB ALA 29 11.251 3.719 -7.971 193 HB3 ALA 29 3HB ALA 29 10.414 2.803 -9.225 194 H VAL 30 H VAL 30 12.015 0.299 -6.614 195 HA VAL 30 HA VAL 30 12.649 0.764 -4.036 196 HB VAL 30 HB VAL 30 14.655 0.255 -6.237 197 HG11 VAL 30 1HG1 VAL 30 15.862 -0.885 -4.250 198 HG12 VAL 30 2HG1 VAL 30 15.973 0.868 -4.428 199 HG13 VAL 30 3HG1 VAL 30 14.860 0.168 -3.252 200 HG21 VAL 30 1HG2 VAL 30 12.849 -1.395 -6.154 201 HG22 VAL 30 2HG2 VAL 30 14.385 -2.098 -5.650 202 HG23 VAL 30 3HG2 VAL 30 13.175 -1.667 -4.443 203 HA PRO 31 HA PRO 31 13.795 5.134 -4.342 204 HB2 PRO 31 1HB PRO 31 13.509 5.610 -1.685 205 HB3 PRO 31 2HB PRO 31 12.144 5.579 -2.808 206 HG2 PRO 31 1HG PRO 31 13.115 3.444 -0.948 207 HG3 PRO 31 2HG PRO 31 11.453 3.963 -1.286 208 HD2 PRO 31 1HD PRO 31 12.544 1.749 -2.400 209 HD3 PRO 31 2HD PRO 31 11.337 2.744 -3.239 210 H ARG 32 H ARG 32 15.229 6.385 -2.504 211 HA ARG 32 HA ARG 32 17.564 4.687 -1.941 212 HB2 ARG 32 1HB ARG 32 19.005 6.645 -2.562 213 HB3 ARG 32 2HB ARG 32 18.152 5.906 -3.911 214 HG2 ARG 32 1HG ARG 32 16.737 7.702 -4.178 215 HG3 ARG 32 2HG ARG 32 16.948 8.249 -2.514 216 HD2 ARG 32 1HD ARG 32 19.333 8.790 -3.115 217 HD3 ARG 32 2HD ARG 32 18.899 8.479 -4.795 218 HE ARG 32 HE ARG 32 18.158 10.771 -3.195 219 HH11 ARG 32 2HH1 ARG 32 17.524 8.889 -6.055 220 HH12 ARG 32 1HH1 ARG 32 16.730 10.184 -6.889 221 HH21 ARG 32 2HH2 ARG 32 17.115 12.483 -4.283 222 HH22 ARG 32 1HH2 ARG 32 16.499 12.228 -5.881 223 H ALA 33 H ALA 33 18.611 5.068 -0.037 224 HA ALA 33 HA ALA 33 17.569 7.255 1.642 225 HB1 ALA 33 1HB ALA 33 17.732 4.370 2.179 226 HB2 ALA 33 2HB ALA 33 18.296 5.414 3.485 227 HB3 ALA 33 3HB ALA 33 16.658 5.595 2.855 228 HA PRO 34 HA PRO 34 21.810 8.448 1.983 229 HB2 PRO 34 1HB PRO 34 21.544 10.150 4.081 230 HB3 PRO 34 2HB PRO 34 21.012 10.553 2.444 231 HG2 PRO 34 1HG PRO 34 19.403 9.575 4.771 232 HG3 PRO 34 2HG PRO 34 19.018 10.853 3.602 233 HD2 PRO 34 1HD PRO 34 17.977 8.359 3.430 234 HD3 PRO 34 2HD PRO 34 18.323 9.350 1.999 235 H SER 35 H SER 35 20.059 6.712 4.330 236 HA SER 35 HA SER 35 22.556 6.097 5.763 237 HB2 SER 35 1HB SER 35 19.793 6.442 6.949 238 HB3 SER 35 2HB SER 35 21.173 5.782 7.827 239 HG SER 35 HG SER 35 22.104 7.723 7.866 240 H GLY 36 H GLY 36 23.111 4.055 5.429 241 HA2 GLY 36 1HA GLY 36 22.976 1.801 5.012 242 HA3 GLY 36 2HA GLY 36 21.536 1.841 6.019 243 H ALA 37 H ALA 37 20.208 0.509 4.904 244 HA ALA 37 HA ALA 37 19.260 1.484 2.321 245 HB1 ALA 37 1HB ALA 37 19.499 -0.563 1.182 246 HB2 ALA 37 2HB ALA 37 21.053 -0.274 1.966 247 HB3 ALA 37 3HB ALA 37 19.916 -1.429 2.661 248 H VAL 38 H VAL 38 17.180 0.597 1.708 249 HA VAL 38 HA VAL 38 15.331 0.539 3.794 250 HB VAL 38 HB VAL 38 15.059 -0.477 0.964 251 HG11 VAL 38 1HG1 VAL 38 13.222 -1.499 1.779 252 HG12 VAL 38 2HG1 VAL 38 13.183 -0.502 3.234 253 HG13 VAL 38 3HG1 VAL 38 12.537 0.125 1.717 254 HG21 VAL 38 1HG2 VAL 38 15.471 1.837 0.904 255 HG22 VAL 38 2HG2 VAL 38 13.719 1.681 0.774 256 HG23 VAL 38 3HG2 VAL 38 14.451 2.140 2.311 257 H LEU 39 H LEU 39 15.046 -0.964 5.294 258 HA LEU 39 HA LEU 39 15.974 -3.665 4.919 259 HB2 LEU 39 1HB LEU 39 14.433 -2.455 7.210 260 HB3 LEU 39 2HB LEU 39 15.253 -4.015 7.217 261 HG LEU 39 HG LEU 39 16.661 -1.366 6.906 262 HD11 LEU 39 1HD1 LEU 39 15.574 -1.516 9.092 263 HD12 LEU 39 2HD1 LEU 39 17.329 -1.620 9.231 264 HD13 LEU 39 3HD1 LEU 39 16.346 -3.078 9.368 265 HD21 LEU 39 1HD2 LEU 39 18.555 -2.523 6.658 266 HD22 LEU 39 2HD2 LEU 39 17.518 -3.901 6.285 267 HD23 LEU 39 3HD2 LEU 39 18.124 -3.671 7.926 268 H ASP 40 H ASP 40 12.808 -2.186 5.627 269 HA ASP 40 HA ASP 40 11.514 -4.249 4.032 270 HB2 ASP 40 1HB ASP 40 10.549 -3.717 6.841 271 HB3 ASP 40 2HB ASP 40 10.015 -4.978 5.734 272 H TYR 41 H TYR 41 8.980 -3.786 4.209 273 HA TYR 41 HA TYR 41 8.567 -0.876 4.110 274 HB2 TYR 41 1HB TYR 41 7.566 -2.864 2.061 275 HB3 TYR 41 2HB TYR 41 7.202 -1.143 2.082 276 HD1 TYR 41 1HD TYR 41 10.039 -3.541 1.845 277 HD2 TYR 41 2HD TYR 41 8.597 0.365 0.971 278 HE1 TYR 41 1HE TYR 41 12.050 -3.107 0.497 279 HE2 TYR 41 2HE TYR 41 10.603 0.809 -0.380 280 HH TYR 41 HH TYR 41 12.543 -1.406 -1.578 281 H GLU 42 H GLU 42 6.165 -0.350 3.997 282 HA GLU 42 HA GLU 42 4.561 -2.316 5.477 283 HB2 GLU 42 1HB GLU 42 5.661 -0.364 6.861 284 HB3 GLU 42 2HB GLU 42 4.343 0.581 6.183 285 HG2 GLU 42 1HG GLU 42 2.821 -1.287 7.069 286 HG3 GLU 42 2HG GLU 42 4.213 -1.761 8.040 287 H VAL 43 H VAL 43 2.356 -2.263 5.087 288 HA VAL 43 HA VAL 43 1.449 -0.387 3.005 289 HB VAL 43 HB VAL 43 0.709 -3.310 3.188 290 HG11 VAL 43 1HG1 VAL 43 -0.489 -2.952 1.114 291 HG12 VAL 43 2HG1 VAL 43 -1.095 -1.851 2.353 292 HG13 VAL 43 3HG1 VAL 43 -0.007 -1.255 1.099 293 HG21 VAL 43 1HG2 VAL 43 2.478 -3.759 1.924 294 HG22 VAL 43 2HG2 VAL 43 1.936 -2.593 0.718 295 HG23 VAL 43 3HG2 VAL 43 2.979 -2.072 2.040 296 H LYS 44 H LYS 44 0.065 0.926 4.012 297 HA LYS 44 HA LYS 44 -1.893 -0.260 5.867 298 HB2 LYS 44 1HB LYS 44 -0.544 1.372 6.996 299 HB3 LYS 44 2HB LYS 44 -0.769 2.538 5.699 300 HG2 LYS 44 1HG LYS 44 -3.261 2.415 6.283 301 HG3 LYS 44 2HG LYS 44 -2.730 1.641 7.778 302 HD2 LYS 44 1HD LYS 44 -1.257 3.605 8.194 303 HD3 LYS 44 2HD LYS 44 -1.962 4.382 6.775 304 HE2 LYS 44 1HE LYS 44 -3.731 3.350 8.953 305 HE3 LYS 44 2HE LYS 44 -2.908 4.897 9.147 306 HZ1 LYS 44 1HZ LYS 44 -4.322 4.475 6.636 307 HZ2 LYS 44 2HZ LYS 44 -4.179 5.874 7.577 308 HZ3 LYS 44 3HZ LYS 44 -5.283 4.669 8.016 309 H TYR 45 H TYR 45 -3.706 -0.684 4.770 310 HA TYR 45 HA TYR 45 -4.760 1.414 2.988 311 HB2 TYR 45 1HB TYR 45 -5.959 -0.442 1.805 312 HB3 TYR 45 2HB TYR 45 -4.207 -0.509 1.661 313 HD1 TYR 45 2HD TYR 45 -3.006 -2.007 3.472 314 HD2 TYR 45 1HD TYR 45 -7.099 -2.373 2.370 315 HE1 TYR 45 2HE TYR 45 -3.020 -4.317 4.315 316 HE2 TYR 45 1HE TYR 45 -7.125 -4.684 3.212 317 HH TYR 45 HH TYR 45 -4.195 -6.189 4.538 318 H HIS 46 H HIS 46 -6.710 2.225 3.448 319 HA HIS 46 HA HIS 46 -8.487 0.734 5.244 320 HB2 HIS 46 1HB HIS 46 -8.963 2.754 6.538 321 HB3 HIS 46 2HB HIS 46 -7.248 2.359 6.618 322 HD1 HIS 46 1HD HIS 46 -5.758 3.784 4.761 323 HD2 HIS 46 2HD HIS 46 -9.427 5.345 5.930 324 HE1 HIS 46 1HE HIS 46 -5.675 6.224 4.156 325 HE2 HIS 46 2HE HIS 46 -7.872 7.165 4.950 326 H GLU 47 H GLU 47 -10.482 0.608 4.460 327 HA GLU 47 HA GLU 47 -11.292 1.580 2.018 328 HB2 GLU 47 1HB GLU 47 -12.391 -0.163 3.610 329 HB3 GLU 47 2HB GLU 47 -13.287 1.217 4.229 330 HG2 GLU 47 1HG GLU 47 -14.311 1.612 2.138 331 HG3 GLU 47 2HG GLU 47 -13.219 0.499 1.315 332 H LYS 48 H LYS 48 -11.921 3.489 1.252 333 HA LYS 48 HA LYS 48 -11.802 5.833 2.816 334 HB2 LYS 48 1HB LYS 48 -11.443 5.610 0.304 335 HB3 LYS 48 2HB LYS 48 -13.195 5.584 0.152 336 HG2 LYS 48 1HG LYS 48 -13.324 7.792 1.182 337 HG3 LYS 48 2HG LYS 48 -11.567 7.818 1.351 338 HD2 LYS 48 1HD LYS 48 -11.429 7.544 -1.145 339 HD3 LYS 48 2HD LYS 48 -13.175 7.797 -1.199 340 HE2 LYS 48 1HE LYS 48 -12.776 9.969 0.020 341 HE3 LYS 48 2HE LYS 48 -11.054 9.720 -0.266 342 HZ1 LYS 48 1HZ LYS 48 -13.188 10.133 -2.276 343 HZ2 LYS 48 2HZ LYS 48 -11.655 9.550 -2.689 344 HZ3 LYS 48 3HZ LYS 48 -11.818 11.086 -1.999 345 H GLY 49 H GLY 49 -14.517 3.904 1.617 346 HA2 GLY 49 1HA GLY 49 -16.477 5.706 2.744 347 HA3 GLY 49 2HA GLY 49 -16.801 4.170 1.954 348 H ALA 50 H ALA 50 -14.842 5.026 4.801 349 HA ALA 50 HA ALA 50 -16.608 3.339 6.436 350 HB1 ALA 50 1HB ALA 50 -13.609 3.241 6.669 351 HB2 ALA 50 2HB ALA 50 -14.796 2.190 7.444 352 HB3 ALA 50 3HB ALA 50 -14.542 2.099 5.701 353 H GLU 51 H GLU 51 -16.001 3.609 8.842 354 HA GLU 51 HA GLU 51 -15.320 6.427 9.362 355 HB2 GLU 51 1HB GLU 51 -17.530 4.766 10.572 356 HB3 GLU 51 2HB GLU 51 -16.973 6.277 11.277 357 HG2 GLU 51 1HG GLU 51 -18.902 6.766 10.000 358 HG3 GLU 51 2HG GLU 51 -17.516 7.394 9.110 359 H GLY 52 H GLY 52 -13.987 6.842 11.062 360 HA2 GLY 52 1HA GLY 52 -12.582 6.456 12.845 361 HA3 GLY 52 2HA GLY 52 -13.498 4.993 13.174 362 HA PRO 53 HA PRO 53 -9.203 4.167 11.252 363 HB2 PRO 53 1HB PRO 53 -7.843 3.519 13.510 364 HB3 PRO 53 2HB PRO 53 -7.901 5.163 12.863 365 HG2 PRO 53 1HG PRO 53 -9.492 3.945 15.087 366 HG3 PRO 53 2HG PRO 53 -8.724 5.541 15.005 367 HD2 PRO 53 1HD PRO 53 -11.373 5.176 14.579 368 HD3 PRO 53 2HD PRO 53 -10.439 6.442 13.756 369 H SER 54 H SER 54 -11.626 2.694 13.002 370 HA SER 54 HA SER 54 -10.591 0.152 13.570 371 HB2 SER 54 1HB SER 54 -12.941 -0.598 13.578 372 HB3 SER 54 2HB SER 54 -12.748 0.925 14.446 373 HG SER 54 HG SER 54 -13.650 2.005 12.744 374 H SER 55 H SER 55 -12.002 1.492 10.629 375 HA SER 55 HA SER 55 -11.812 -1.037 9.231 376 HB2 SER 55 1HB SER 55 -12.796 1.708 8.511 377 HB3 SER 55 2HB SER 55 -12.495 0.514 7.248 378 HG SER 55 HG SER 55 -14.540 0.671 9.049 379 H VAL 56 H VAL 56 -9.339 -0.285 10.179 380 HA VAL 56 HA VAL 56 -7.917 0.432 7.698 381 HB VAL 56 HB VAL 56 -6.991 1.039 10.509 382 HG11 VAL 56 1HG1 VAL 56 -4.988 1.396 9.624 383 HG12 VAL 56 2HG1 VAL 56 -5.589 0.850 8.057 384 HG13 VAL 56 3HG1 VAL 56 -5.678 2.558 8.491 385 HG21 VAL 56 1HG2 VAL 56 -7.901 3.021 8.437 386 HG22 VAL 56 2HG2 VAL 56 -8.974 2.371 9.677 387 HG23 VAL 56 3HG2 VAL 56 -7.554 3.308 10.143 388 H ARG 57 H ARG 57 -6.535 -1.045 6.964 389 HA ARG 57 HA ARG 57 -5.758 -3.235 8.774 390 HB2 ARG 57 1HB ARG 57 -6.408 -3.154 5.854 391 HB3 ARG 57 2HB ARG 57 -5.303 -4.383 6.453 392 HG2 ARG 57 1HG ARG 57 -7.450 -5.361 6.411 393 HG3 ARG 57 2HG ARG 57 -7.084 -5.028 8.105 394 HD2 ARG 57 1HD ARG 57 -8.339 -2.824 7.742 395 HD3 ARG 57 2HD ARG 57 -8.947 -3.565 6.262 396 HE ARG 57 HE ARG 57 -9.806 -4.107 8.922 397 HH11 ARG 57 2HH1 ARG 57 -9.330 -5.557 5.793 398 HH12 ARG 57 1HH1 ARG 57 -10.533 -6.780 6.032 399 HH21 ARG 57 2HH2 ARG 57 -11.393 -5.713 9.248 400 HH22 ARG 57 1HH2 ARG 57 -11.707 -6.867 7.997 401 H PHE 58 H PHE 58 -3.643 -4.274 8.219 402 HA PHE 58 HA PHE 58 -1.702 -2.426 7.046 403 HB2 PHE 58 1HB PHE 58 -1.586 -3.553 9.841 404 HB3 PHE 58 2HB PHE 58 -0.154 -2.962 9.004 405 HD1 PHE 58 1HD PHE 58 0.118 -0.594 8.520 406 HD2 PHE 58 2HD PHE 58 -3.267 -2.045 10.654 407 HE1 PHE 58 1HE PHE 58 -0.393 1.696 9.260 408 HE2 PHE 58 2HE PHE 58 -3.784 0.243 11.396 409 HZ PHE 58 HZ PHE 58 -2.347 2.118 10.699 410 H LEU 59 H LEU 59 0.196 -3.408 6.275 411 HA LEU 59 HA LEU 59 0.508 -6.280 6.519 412 HB2 LEU 59 1HB LEU 59 -0.975 -6.337 4.709 413 HB3 LEU 59 2HB LEU 59 -0.254 -4.913 3.961 414 HG LEU 59 HG LEU 59 1.841 -6.533 3.777 415 HD11 LEU 59 1HD1 LEU 59 -0.227 -8.266 4.676 416 HD12 LEU 59 2HD1 LEU 59 1.440 -8.657 4.254 417 HD13 LEU 59 3HD1 LEU 59 0.186 -8.694 3.015 418 HD21 LEU 59 1HD2 LEU 59 1.429 -6.424 1.577 419 HD22 LEU 59 2HD2 LEU 59 0.026 -5.466 2.048 420 HD23 LEU 59 3HD2 LEU 59 -0.150 -7.193 1.733 421 H LYS 60 H LYS 60 2.585 -6.470 7.006 422 HA LYS 60 HA LYS 60 4.518 -4.595 5.853 423 HB2 LYS 60 1HB LYS 60 4.656 -6.496 8.190 424 HB3 LYS 60 2HB LYS 60 6.072 -5.663 7.564 425 HG2 LYS 60 1HG LYS 60 5.407 -3.635 8.359 426 HG3 LYS 60 2HG LYS 60 3.690 -4.030 8.249 427 HD2 LYS 60 1HD LYS 60 3.715 -5.230 10.249 428 HD3 LYS 60 2HD LYS 60 5.469 -5.428 10.217 429 HE2 LYS 60 1HE LYS 60 5.839 -3.201 10.860 430 HE3 LYS 60 2HE LYS 60 4.188 -2.724 10.469 431 HZ1 LYS 60 1HZ LYS 60 5.082 -3.332 12.939 432 HZ2 LYS 60 2HZ LYS 60 4.362 -4.788 12.468 433 HZ3 LYS 60 3HZ LYS 60 3.458 -3.358 12.465 434 H THR 61 H THR 61 6.130 -5.209 4.508 435 HA THR 61 HA THR 61 6.683 -8.035 4.080 436 HB THR 61 HB THR 61 4.914 -7.702 2.480 437 HG1 THR 61 1HG THR 61 6.857 -8.843 1.795 438 HG21 THR 61 1HG2 THR 61 6.423 -5.200 1.833 439 HG22 THR 61 2HG2 THR 61 4.696 -5.426 2.109 440 HG23 THR 61 3HG2 THR 61 5.427 -5.969 0.598 441 H SER 62 H SER 62 8.744 -8.429 3.414 442 HA SER 62 HA SER 62 10.651 -6.344 3.673 443 HB2 SER 62 1HB SER 62 12.310 -8.022 3.276 444 HB3 SER 62 2HB SER 62 11.026 -8.791 4.209 445 HG SER 62 HG SER 62 11.940 -9.385 1.732 446 H GLU 63 H GLU 63 9.167 -7.958 0.929 447 HA GLU 63 HA GLU 63 10.899 -6.773 -1.022 448 HB2 GLU 63 1HB GLU 63 8.454 -8.466 -1.068 449 HB3 GLU 63 2HB GLU 63 8.809 -7.523 -2.508 450 HG2 GLU 63 1HG GLU 63 10.686 -8.716 -3.003 451 HG3 GLU 63 2HG GLU 63 10.998 -9.136 -1.319 452 H ASN 64 H ASN 64 10.016 -5.393 -2.801 453 HA ASN 64 HA ASN 64 8.535 -3.174 -1.619 454 HB2 ASN 64 1HB ASN 64 9.292 -1.900 -3.589 455 HB3 ASN 64 2HB ASN 64 10.642 -2.647 -2.740 456 HD21 ASN 64 1HD2 ASN 64 10.717 -1.758 -5.401 457 HD22 ASN 64 2HD2 ASN 64 10.959 -3.132 -6.421 458 H ARG 65 H ARG 65 7.157 -5.627 -2.362 459 HA ARG 65 HA ARG 65 5.023 -4.437 -3.882 460 HB2 ARG 65 1HB ARG 65 4.965 -6.259 -5.585 461 HB3 ARG 65 2HB ARG 65 6.349 -5.185 -5.740 462 HG2 ARG 65 1HG ARG 65 7.740 -6.855 -4.577 463 HG3 ARG 65 2HG ARG 65 6.348 -7.938 -4.522 464 HD2 ARG 65 1HD ARG 65 7.148 -6.809 -7.153 465 HD3 ARG 65 2HD ARG 65 8.154 -8.076 -6.453 466 HE ARG 65 HE ARG 65 5.460 -8.870 -6.349 467 HH11 ARG 65 2HH1 ARG 65 8.019 -8.332 -8.648 468 HH12 ARG 65 1HH1 ARG 65 7.416 -9.491 -9.787 469 HH21 ARG 65 2HH2 ARG 65 4.657 -10.398 -7.840 470 HH22 ARG 65 1HH2 ARG 65 5.503 -10.665 -9.326 471 H ALA 66 H ALA 66 3.074 -5.345 -3.415 472 HA ALA 66 HA ALA 66 3.027 -7.911 -1.998 473 HB1 ALA 66 1HB ALA 66 1.926 -5.312 -0.968 474 HB2 ALA 66 2HB ALA 66 1.353 -6.878 -0.390 475 HB3 ALA 66 3HB ALA 66 3.044 -6.423 -0.176 476 H GLU 67 H GLU 67 0.688 -8.640 -1.665 477 HA GLU 67 HA GLU 67 -1.031 -7.742 -3.871 478 HB2 GLU 67 1HB GLU 67 0.108 -9.742 -4.657 479 HB3 GLU 67 2HB GLU 67 -0.356 -10.610 -3.201 480 HG2 GLU 67 1HG GLU 67 -2.573 -10.779 -3.850 481 HG3 GLU 67 2HG GLU 67 -2.440 -9.449 -4.999 482 H LEU 68 H LEU 68 -2.626 -6.815 -2.714 483 HA LEU 68 HA LEU 68 -3.575 -7.869 -0.233 484 HB2 LEU 68 1HB LEU 68 -4.912 -5.846 -2.018 485 HB3 LEU 68 2HB LEU 68 -5.200 -6.103 -0.299 486 HG LEU 68 HG LEU 68 -2.634 -5.053 -1.490 487 HD11 LEU 68 1HD1 LEU 68 -4.505 -3.484 -1.742 488 HD12 LEU 68 2HD1 LEU 68 -3.301 -2.903 -0.593 489 HD13 LEU 68 3HD1 LEU 68 -4.815 -3.591 -0.009 490 HD21 LEU 68 1HD2 LEU 68 -3.128 -4.561 1.321 491 HD22 LEU 68 2HD2 LEU 68 -1.711 -5.246 0.526 492 HD23 LEU 68 3HD2 LEU 68 -3.071 -6.285 0.953 493 H ARG 69 H ARG 69 -5.060 -9.385 0.102 494 HA ARG 69 HA ARG 69 -6.740 -10.211 -2.172 495 HB2 ARG 69 1HB ARG 69 -5.920 -11.858 0.226 496 HB3 ARG 69 2HB ARG 69 -6.825 -12.424 -1.171 497 HG2 ARG 69 1HG ARG 69 -4.957 -12.287 -2.578 498 HG3 ARG 69 2HG ARG 69 -4.063 -11.287 -1.431 499 HD2 ARG 69 1HD ARG 69 -4.855 -14.164 -0.990 500 HD3 ARG 69 2HD ARG 69 -3.257 -13.617 -1.495 501 HE ARG 69 HE ARG 69 -4.099 -12.362 0.922 502 HH11 ARG 69 2HH1 ARG 69 -2.753 -15.291 -0.391 503 HH12 ARG 69 1HH1 ARG 69 -1.956 -15.739 1.080 504 HH21 ARG 69 2HH2 ARG 69 -3.054 -12.940 2.865 505 HH22 ARG 69 1HH2 ARG 69 -2.128 -14.401 2.932 506 H GLY 70 H GLY 70 -8.916 -10.899 -1.716 507 HA2 GLY 70 1HA GLY 70 -10.974 -10.719 -0.710 508 HA3 GLY 70 2HA GLY 70 -10.129 -10.571 0.824 509 H LEU 71 H LEU 71 -11.203 -8.764 -2.016 510 HA LEU 71 HA LEU 71 -11.506 -6.406 -0.293 511 HB2 LEU 71 1HB LEU 71 -10.345 -6.430 -3.074 512 HB3 LEU 71 2HB LEU 71 -10.777 -4.976 -2.176 513 HG LEU 71 HG LEU 71 -8.730 -6.943 -1.178 514 HD11 LEU 71 1HD1 LEU 71 -7.650 -6.324 -3.094 515 HD12 LEU 71 2HD1 LEU 71 -7.173 -5.001 -2.030 516 HD13 LEU 71 3HD1 LEU 71 -8.478 -4.769 -3.193 517 HD21 LEU 71 1HD2 LEU 71 -9.434 -5.556 0.570 518 HD22 LEU 71 2HD2 LEU 71 -9.539 -4.139 -0.475 519 HD23 LEU 71 3HD2 LEU 71 -7.962 -4.792 -0.029 520 H LYS 72 H LYS 72 -12.966 -4.752 -1.285 521 HA LYS 72 HA LYS 72 -15.309 -6.088 -2.346 522 HB2 LYS 72 1HB LYS 72 -14.736 -3.396 -1.178 523 HB3 LYS 72 2HB LYS 72 -16.174 -3.603 -2.169 524 HG2 LYS 72 1HG LYS 72 -15.669 -5.541 0.030 525 HG3 LYS 72 2HG LYS 72 -16.252 -3.925 0.433 526 HD2 LYS 72 1HD LYS 72 -18.211 -5.163 0.191 527 HD3 LYS 72 2HD LYS 72 -18.042 -4.358 -1.371 528 HE2 LYS 72 1HE LYS 72 -17.519 -6.297 -2.466 529 HE3 LYS 72 2HE LYS 72 -16.807 -7.041 -1.035 530 HZ1 LYS 72 1HZ LYS 72 -18.796 -8.187 -1.426 531 HZ2 LYS 72 2HZ LYS 72 -19.674 -6.770 -1.716 532 HZ3 LYS 72 3HZ LYS 72 -19.155 -7.137 -0.148 533 H ARG 73 H ARG 73 -14.309 -6.583 -4.429 534 HA ARG 73 HA ARG 73 -13.215 -5.062 -6.315 535 HB2 ARG 73 1HB ARG 73 -14.694 -6.240 -8.019 536 HB3 ARG 73 2HB ARG 73 -13.793 -7.271 -6.916 537 HG2 ARG 73 1HG ARG 73 -16.554 -6.499 -6.152 538 HG3 ARG 73 2HG ARG 73 -16.345 -7.680 -7.446 539 HD2 ARG 73 1HD ARG 73 -14.650 -8.732 -5.701 540 HD3 ARG 73 2HD ARG 73 -15.685 -7.880 -4.556 541 HE ARG 73 HE ARG 73 -17.310 -9.439 -4.935 542 HH11 ARG 73 2HH1 ARG 73 -14.996 -9.573 -7.532 543 HH12 ARG 73 1HH1 ARG 73 -15.699 -10.979 -8.261 544 HH21 ARG 73 2HH2 ARG 73 -18.245 -11.290 -5.885 545 HH22 ARG 73 1HH2 ARG 73 -17.547 -11.954 -7.323 546 H GLY 74 H GLY 74 -13.599 -2.887 -6.335 547 HA2 GLY 74 1HA GLY 74 -14.750 -1.209 -7.635 548 HA3 GLY 74 2HA GLY 74 -16.249 -2.077 -7.341 549 H ALA 75 H ALA 75 -13.683 -1.022 -5.118 550 HA ALA 75 HA ALA 75 -15.540 0.862 -3.878 551 HB1 ALA 75 1HB ALA 75 -14.167 -1.335 -2.333 552 HB2 ALA 75 2HB ALA 75 -15.114 -0.020 -1.636 553 HB3 ALA 75 3HB ALA 75 -15.896 -1.220 -2.665 554 H SER 76 H SER 76 -14.565 2.641 -3.053 555 HA SER 76 HA SER 76 -11.974 3.313 -3.822 556 HB2 SER 76 1HB SER 76 -13.886 4.485 -1.818 557 HB3 SER 76 2HB SER 76 -12.266 5.154 -2.012 558 HG SER 76 HG SER 76 -12.904 6.075 -3.781 559 H TYR 77 H TYR 77 -10.038 2.823 -3.039 560 HA TYR 77 HA TYR 77 -9.779 2.098 -0.207 561 HB2 TYR 77 1HB TYR 77 -9.003 0.460 -2.588 562 HB3 TYR 77 2HB TYR 77 -8.023 0.366 -1.129 563 HD1 TYR 77 1HD TYR 77 -9.310 -0.129 1.082 564 HD2 TYR 77 2HD TYR 77 -10.872 -0.902 -2.799 565 HE1 TYR 77 1HE TYR 77 -10.892 -1.745 2.048 566 HE2 TYR 77 2HE TYR 77 -12.460 -2.520 -1.845 567 HH TYR 77 HH TYR 77 -13.520 -2.723 0.788 568 H LEU 78 H LEU 78 -8.487 3.611 0.603 569 HA LEU 78 HA LEU 78 -6.497 4.937 -1.002 570 HB2 LEU 78 1HB LEU 78 -7.558 5.211 1.759 571 HB3 LEU 78 2HB LEU 78 -5.960 5.872 1.419 572 HG LEU 78 HG LEU 78 -7.594 7.622 1.238 573 HD11 LEU 78 1HD1 LEU 78 -6.967 6.923 -1.605 574 HD12 LEU 78 2HD1 LEU 78 -5.686 7.348 -0.470 575 HD13 LEU 78 3HD1 LEU 78 -6.973 8.502 -0.819 576 HD21 LEU 78 1HD2 LEU 78 -9.657 6.715 0.838 577 HD22 LEU 78 2HD2 LEU 78 -9.055 5.605 -0.394 578 HD23 LEU 78 3HD2 LEU 78 -9.262 7.315 -0.773 579 H VAL 79 H VAL 79 -4.833 3.616 -1.539 580 HA VAL 79 HA VAL 79 -3.571 1.965 0.506 581 HB VAL 79 HB VAL 79 -2.941 2.226 -2.438 582 HG11 VAL 79 1HG1 VAL 79 -1.198 1.391 -0.594 583 HG12 VAL 79 2HG1 VAL 79 -2.072 -0.120 -0.857 584 HG13 VAL 79 3HG1 VAL 79 -1.286 0.693 -2.211 585 HG21 VAL 79 1HG2 VAL 79 -4.897 1.104 -2.581 586 HG22 VAL 79 2HG2 VAL 79 -3.891 -0.275 -2.134 587 HG23 VAL 79 3HG2 VAL 79 -4.835 0.564 -0.903 588 H GLN 80 H GLN 80 -1.854 2.603 1.621 589 HA GLN 80 HA GLN 80 -0.114 4.681 0.476 590 HB2 GLN 80 1HB GLN 80 -1.462 4.599 3.131 591 HB3 GLN 80 2HB GLN 80 0.162 5.268 3.056 592 HG2 GLN 80 1HG GLN 80 -1.143 7.137 2.783 593 HG3 GLN 80 2HG GLN 80 -0.782 6.695 1.115 594 HE21 GLN 80 1HE2 GLN 80 -3.196 7.364 3.354 595 HE22 GLN 80 2HE2 GLN 80 -4.560 6.884 2.409 596 H VAL 81 H VAL 81 1.877 3.936 0.231 597 HA VAL 81 HA VAL 81 2.812 1.778 1.999 598 HB VAL 81 HB VAL 81 3.816 2.571 -0.738 599 HG11 VAL 81 1HG1 VAL 81 5.671 1.453 -0.259 600 HG12 VAL 81 2HG1 VAL 81 5.065 1.091 1.358 601 HG13 VAL 81 3HG1 VAL 81 4.707 0.002 0.017 602 HG21 VAL 81 1HG2 VAL 81 1.944 1.445 -1.323 603 HG22 VAL 81 2HG2 VAL 81 2.963 0.039 -1.011 604 HG23 VAL 81 3HG2 VAL 81 1.836 0.602 0.223 605 H ARG 82 H ARG 82 4.603 2.025 3.220 606 HA ARG 82 HA ARG 82 6.184 4.482 2.872 607 HB2 ARG 82 1HB ARG 82 6.293 4.781 5.277 608 HB3 ARG 82 2HB ARG 82 4.613 4.748 4.758 609 HG2 ARG 82 1HG ARG 82 4.333 2.519 5.569 610 HG3 ARG 82 2HG ARG 82 6.059 2.373 5.904 611 HD2 ARG 82 1HD ARG 82 5.726 4.381 7.462 612 HD3 ARG 82 2HD ARG 82 4.003 4.038 7.320 613 HE ARG 82 HE ARG 82 5.407 1.690 8.021 614 HH11 ARG 82 2HH1 ARG 82 4.352 4.733 9.342 615 HH12 ARG 82 1HH1 ARG 82 4.256 4.143 10.968 616 HH21 ARG 82 2HH2 ARG 82 5.284 0.901 10.158 617 HH22 ARG 82 1HH2 ARG 82 4.788 1.963 11.431 618 H ALA 83 H ALA 83 8.372 4.348 3.420 619 HA ALA 83 HA ALA 83 9.387 1.595 3.673 620 HB1 ALA 83 1HB ALA 83 11.088 3.852 2.711 621 HB2 ALA 83 2HB ALA 83 11.186 2.131 2.337 622 HB3 ALA 83 3HB ALA 83 9.912 3.117 1.621 623 H ARG 84 H ARG 84 11.363 1.290 4.907 624 HA ARG 84 HA ARG 84 11.956 3.367 6.878 625 HB2 ARG 84 1HB ARG 84 11.588 2.014 8.759 626 HB3 ARG 84 2HB ARG 84 10.187 1.720 7.738 627 HG2 ARG 84 1HG ARG 84 11.340 -0.332 6.892 628 HG3 ARG 84 2HG ARG 84 12.577 -0.063 8.121 629 HD2 ARG 84 1HD ARG 84 9.653 -0.268 8.787 630 HD3 ARG 84 2HD ARG 84 10.705 -1.680 8.706 631 HE ARG 84 HE ARG 84 10.531 0.170 10.837 632 HH11 ARG 84 2HH1 ARG 84 12.829 -1.737 9.049 633 HH12 ARG 84 1HH1 ARG 84 13.947 -1.862 10.367 634 HH21 ARG 84 2HH2 ARG 84 11.994 0.012 12.580 635 HH22 ARG 84 1HH2 ARG 84 13.471 -0.868 12.375 636 H SER 85 H SER 85 14.008 3.189 7.844 637 HA SER 85 HA SER 85 15.783 1.151 6.679 638 HB2 SER 85 1HB SER 85 17.551 2.876 6.478 639 HB3 SER 85 2HB SER 85 16.152 3.239 5.469 640 HG SER 85 HG SER 85 15.993 4.296 7.992 641 H GLU 86 H GLU 86 18.085 1.552 7.890 642 HA GLU 86 HA GLU 86 17.921 0.426 10.359 643 HB2 GLU 86 1HB GLU 86 19.984 2.257 9.171 644 HB3 GLU 86 2HB GLU 86 20.175 1.629 10.802 645 HG2 GLU 86 1HG GLU 86 19.744 -0.134 8.409 646 HG3 GLU 86 2HG GLU 86 21.340 0.349 8.981 647 H ALA 87 H ALA 87 17.697 3.847 9.582 648 HA ALA 87 HA ALA 87 17.843 4.856 12.207 649 HB1 ALA 87 1HB ALA 87 16.444 6.005 9.795 650 HB2 ALA 87 2HB ALA 87 16.810 6.881 11.282 651 HB3 ALA 87 3HB ALA 87 18.121 6.286 10.264 652 H GLY 88 H GLY 88 14.913 4.620 10.174 653 HA2 GLY 88 1HA GLY 88 13.347 3.247 12.053 654 HA3 GLY 88 2HA GLY 88 13.113 4.971 12.306 655 H TYR 89 H TYR 89 10.862 4.371 11.746 656 HA TYR 89 HA TYR 89 10.249 3.607 9.059 657 HB2 TYR 89 1HB TYR 89 8.684 4.437 11.458 658 HB3 TYR 89 2HB TYR 89 7.901 4.536 9.885 659 HD1 TYR 89 2HD TYR 89 7.584 2.479 8.533 660 HD2 TYR 89 1HD TYR 89 9.087 2.334 12.511 661 HE1 TYR 89 2HE TYR 89 7.070 0.076 8.634 662 HE2 TYR 89 1HE TYR 89 8.578 -0.070 12.622 663 HH TYR 89 HH TYR 89 7.050 -1.752 9.891 664 H GLY 90 H GLY 90 9.726 4.844 7.327 665 HA2 GLY 90 1HA GLY 90 10.300 7.701 7.552 666 HA3 GLY 90 2HA GLY 90 10.179 6.779 6.060 667 HA PRO 91 HA PRO 91 6.228 9.229 7.035 668 HB2 PRO 91 1HB PRO 91 6.499 11.145 5.131 669 HB3 PRO 91 2HB PRO 91 7.120 11.330 6.776 670 HG2 PRO 91 1HG PRO 91 8.573 10.548 4.278 671 HG3 PRO 91 2HG PRO 91 9.076 11.661 5.563 672 HD2 PRO 91 1HD PRO 91 9.986 9.116 5.403 673 HD3 PRO 91 2HD PRO 91 9.755 9.952 6.952 674 H PHE 92 H PHE 92 4.413 8.628 6.007 675 HA PHE 92 HA PHE 92 4.402 6.823 3.901 676 HB2 PHE 92 1HB PHE 92 2.330 8.534 5.194 677 HB3 PHE 92 2HB PHE 92 1.921 7.747 3.673 678 HD1 PHE 92 1HD PHE 92 2.370 5.198 3.546 679 HD2 PHE 92 2HD PHE 92 2.069 7.392 7.181 680 HE1 PHE 92 1HE PHE 92 1.867 3.116 4.757 681 HE2 PHE 92 2HE PHE 92 1.566 5.313 8.398 682 HZ PHE 92 HZ PHE 92 1.466 3.172 7.186 683 H GLY 93 H GLY 93 4.212 6.960 1.711 684 HA2 GLY 93 1HA GLY 93 4.895 9.508 0.516 685 HA3 GLY 93 2HA GLY 93 4.779 7.962 -0.311 686 H GLN 94 H GLN 94 3.792 10.084 -1.604 687 HA GLN 94 HA GLN 94 1.320 11.080 -1.260 688 HB2 GLN 94 1HB GLN 94 2.661 11.527 -3.251 689 HB3 GLN 94 2HB GLN 94 2.374 9.893 -3.833 690 HG2 GLN 94 1HG GLN 94 0.103 10.327 -4.254 691 HG3 GLN 94 2HG GLN 94 0.137 11.825 -3.324 692 HE21 GLN 94 1HE2 GLN 94 -0.923 12.070 -5.698 693 HE22 GLN 94 2HE2 GLN 94 0.147 12.826 -6.823 694 H GLU 95 H GLU 95 -0.771 10.433 -1.284 695 HA GLU 95 HA GLU 95 -1.322 7.653 -0.930 696 HB2 GLU 95 1HB GLU 95 -3.670 8.378 -0.700 697 HB3 GLU 95 2HB GLU 95 -2.580 9.313 0.314 698 HG2 GLU 95 1HG GLU 95 -2.575 11.019 -1.593 699 HG3 GLU 95 2HG GLU 95 -3.984 10.148 -2.194 700 H HIS 96 H HIS 96 -2.449 6.247 -2.244 701 HA HIS 96 HA HIS 96 -2.872 7.141 -5.021 702 HB2 HIS 96 1HB HIS 96 -0.908 5.583 -4.660 703 HB3 HIS 96 2HB HIS 96 -2.074 4.347 -4.197 704 HD1 HIS 96 1HD HIS 96 -3.712 3.517 -6.099 705 HD2 HIS 96 2HD HIS 96 -0.607 5.967 -7.370 706 HE1 HIS 96 1HE HIS 96 -3.607 3.229 -8.595 707 HE2 HIS 96 2HE HIS 96 -1.666 4.655 -9.331 708 H HIS 97 H HIS 97 -4.771 6.630 -5.979 709 HA HIS 97 HA HIS 97 -6.763 5.274 -4.303 710 HB2 HIS 97 1HB HIS 97 -6.941 7.331 -6.478 711 HB3 HIS 97 2HB HIS 97 -8.335 6.316 -6.119 712 HD1 HIS 97 1HD HIS 97 -6.324 9.143 -4.780 713 HD2 HIS 97 2HD HIS 97 -9.550 6.797 -3.617 714 HE1 HIS 97 1HE HIS 97 -7.342 10.329 -2.810 715 HE2 HIS 97 2HE HIS 97 -9.240 8.848 -2.071 716 H SER 98 H SER 98 -6.651 3.139 -4.730 717 HA SER 98 HA SER 98 -6.026 2.016 -7.241 718 HB2 SER 98 1HB SER 98 -6.888 -0.110 -6.236 719 HB3 SER 98 2HB SER 98 -5.703 0.720 -5.227 720 HG SER 98 HG SER 98 -8.505 1.011 -4.913 721 H GLN 99 H GLN 99 -7.245 1.479 -8.954 722 HA GLN 99 HA GLN 99 -10.156 1.885 -8.736 723 HB2 GLN 99 1HB GLN 99 -9.099 3.634 -10.084 724 HB3 GLN 99 2HB GLN 99 -8.365 2.412 -11.114 725 HG2 GLN 99 1HG GLN 99 -10.362 3.488 -12.097 726 HG3 GLN 99 2HG GLN 99 -10.496 1.736 -11.949 727 HE21 GLN 99 1HE2 GLN 99 -11.218 4.677 -10.099 728 HE22 GLN 99 2HE2 GLN 99 -12.745 4.132 -9.503 729 H THR 100 H THR 100 -10.982 -0.115 -8.601 730 HA THR 100 HA THR 100 -9.845 -2.355 -9.992 731 HB THR 100 HB THR 100 -11.741 -3.635 -9.087 732 HG1 THR 100 1HG THR 100 -13.486 -2.635 -8.431 733 HG21 THR 100 1HG2 THR 100 -11.171 -2.238 -6.640 734 HG22 THR 100 2HG2 THR 100 -9.713 -2.353 -7.625 735 HG23 THR 100 3HG2 THR 100 -10.596 -3.813 -7.183 736 H GLN 101 H GLN 101 -10.692 -3.484 -11.728 737 HA GLN 101 HA GLN 101 -12.378 -1.914 -13.500 738 HB2 GLN 101 1HB GLN 101 -10.344 -2.925 -14.406 739 HB3 GLN 101 2HB GLN 101 -10.919 -4.523 -13.950 740 HG2 GLN 101 1HG GLN 101 -12.953 -3.915 -15.458 741 HG3 GLN 101 2HG GLN 101 -11.840 -2.733 -16.147 742 HE21 GLN 101 1HE2 GLN 101 -10.816 -3.416 -17.872 743 HE22 GLN 101 2HE2 GLN 101 -10.372 -5.048 -18.222 744 H LEU 102 H LEU 102 -14.367 -2.529 -14.272 745 HA LEU 102 HA LEU 102 -15.514 -5.077 -13.519 746 HB2 LEU 102 1HB LEU 102 -16.698 -2.488 -12.527 747 HB3 LEU 102 2HB LEU 102 -17.453 -4.075 -12.395 748 HG LEU 102 HG LEU 102 -14.811 -3.423 -11.108 749 HD11 LEU 102 1HD1 LEU 102 -15.801 -2.554 -9.275 750 HD12 LEU 102 2HD1 LEU 102 -17.258 -3.528 -9.462 751 HD13 LEU 102 3HD1 LEU 102 -17.034 -2.080 -10.443 752 HD21 LEU 102 1HD2 LEU 102 -16.846 -5.515 -10.380 753 HD22 LEU 102 2HD2 LEU 102 -15.173 -5.383 -9.837 754 HD23 LEU 102 3HD2 LEU 102 -15.527 -5.814 -11.511 755 H ASP 103 H ASP 103 -16.777 -5.777 -15.112 756 HA ASP 103 HA ASP 103 -17.753 -5.801 -17.188 757 HB2 ASP 103 1HB ASP 103 -19.585 -5.143 -15.602 758 HB3 ASP 103 2HB ASP 103 -19.284 -3.463 -16.035 759 H SER 104 H SER 104 -15.348 -4.389 -17.255 760 HA SER 104 HA SER 104 -15.423 -1.824 -18.314 761 HB2 SER 104 1HB SER 104 -13.202 -2.228 -19.132 762 HB3 SER 104 2HB SER 104 -13.368 -3.109 -17.613 763 HG SER 104 HG SER 104 -13.120 -4.922 -18.651 764 H GLY 105 H GLY 105 -16.086 -0.985 -20.185 765 HA2 GLY 105 1HA GLY 105 -17.415 -2.589 -22.118 766 HA3 GLY 105 2HA GLY 105 -17.074 -0.871 -22.258 767 HA PRO 106 HA PRO 106 -14.468 -3.386 -25.267 768 HB2 PRO 106 1HB PRO 106 -15.484 -2.297 -27.537 769 HB3 PRO 106 2HB PRO 106 -16.172 -3.733 -26.769 770 HG2 PRO 106 1HG PRO 106 -17.073 -0.883 -26.607 771 HG3 PRO 106 2HG PRO 106 -18.044 -2.354 -26.800 772 HD2 PRO 106 1HD PRO 106 -17.761 -1.097 -24.418 773 HD3 PRO 106 2HD PRO 106 -17.958 -2.857 -24.552 774 H SER 107 H SER 107 -15.184 -0.109 -24.569 775 HA SER 107 HA SER 107 -13.454 1.211 -26.347 776 HB2 SER 107 1HB SER 107 -14.648 1.907 -23.685 777 HB3 SER 107 2HB SER 107 -13.426 2.960 -24.395 778 HG SER 107 HG SER 107 -14.756 3.413 -26.054 779 H SER 108 H SER 108 -12.929 0.053 -23.027 780 HA SER 108 HA SER 108 -11.032 -0.270 -21.805 781 HB2 SER 108 1HB SER 108 -10.799 -2.015 -23.599 782 HB3 SER 108 2HB SER 108 -9.775 -0.887 -24.487 783 HG SER 108 HG SER 108 -9.150 -1.433 -21.817 784 H GLY 109 H GLY 109 -11.479 2.401 -22.415 785 HA2 GLY 109 1HA GLY 109 -9.193 3.680 -21.681 786 HA3 GLY 109 2HA GLY 109 -9.069 3.607 -23.433 Start of MODEL 18 1 H1 GLY 1 H GLY 1 5.756 21.771 11.593 2 HA2 GLY 1 1HA GLY 1 5.360 20.911 13.785 3 HA3 GLY 1 2HA GLY 1 5.453 19.494 12.749 4 H SER 2 H SER 2 6.170 18.186 14.451 5 HA SER 2 HA SER 2 8.879 18.788 15.438 6 HB2 SER 2 1HB SER 2 6.665 17.130 16.659 7 HB3 SER 2 2HB SER 2 8.314 17.164 17.283 8 HG SER 2 HG SER 2 8.064 19.250 17.869 9 H SER 3 H SER 3 10.407 17.693 14.414 10 HA SER 3 HA SER 3 9.920 15.436 12.786 11 HB2 SER 3 1HB SER 3 11.810 17.006 12.439 12 HB3 SER 3 2HB SER 3 12.562 16.396 13.912 13 HG SER 3 HG SER 3 11.895 14.783 11.676 14 H GLY 4 H GLY 4 9.667 13.375 13.324 15 HA2 GLY 4 1HA GLY 4 10.245 12.538 16.058 16 HA3 GLY 4 2HA GLY 4 9.323 11.636 14.864 17 H SER 5 H SER 5 10.657 10.842 12.956 18 HA SER 5 HA SER 5 13.394 10.154 13.755 19 HB2 SER 5 1HB SER 5 11.384 8.135 12.731 20 HB3 SER 5 2HB SER 5 13.062 7.813 13.166 21 HG SER 5 HG SER 5 11.278 7.393 14.776 22 H SER 6 H SER 6 14.795 10.480 12.161 23 HA SER 6 HA SER 6 13.843 11.198 9.535 24 HB2 SER 6 1HB SER 6 16.644 11.023 10.670 25 HB3 SER 6 2HB SER 6 16.251 11.638 9.064 26 HG SER 6 HG SER 6 16.399 13.361 10.488 27 H GLY 7 H GLY 7 13.009 9.313 8.639 28 HA2 GLY 7 1HA GLY 7 14.885 7.074 8.284 29 HA3 GLY 7 2HA GLY 7 13.140 6.978 8.106 30 HA PRO 8 HA PRO 8 14.899 7.139 3.854 31 HB2 PRO 8 1HB PRO 8 13.148 5.335 2.828 32 HB3 PRO 8 2HB PRO 8 14.648 4.866 3.638 33 HG2 PRO 8 1HG PRO 8 11.856 4.940 4.716 34 HG3 PRO 8 2HG PRO 8 13.106 3.701 4.933 35 HD2 PRO 8 1HD PRO 8 12.554 5.561 6.822 36 HD3 PRO 8 2HD PRO 8 14.184 4.898 6.581 37 HA PRO 9 HA PRO 9 11.920 9.820 2.044 38 HB2 PRO 9 1HB PRO 9 12.027 9.159 -0.587 39 HB3 PRO 9 2HB PRO 9 13.326 10.028 0.239 40 HG2 PRO 9 1HG PRO 9 13.118 7.116 -0.424 41 HG3 PRO 9 2HG PRO 9 14.513 8.201 -0.574 42 HD2 PRO 9 1HD PRO 9 14.224 6.476 1.493 43 HD3 PRO 9 2HD PRO 9 15.032 8.047 1.667 44 H ALA 10 H ALA 10 9.765 9.925 1.678 45 HA ALA 10 HA ALA 10 8.112 7.728 2.056 46 HB1 ALA 10 1HB ALA 10 7.787 10.518 1.529 47 HB2 ALA 10 2HB ALA 10 6.642 9.600 0.550 48 HB3 ALA 10 3HB ALA 10 6.668 9.393 2.301 49 H VAL 11 H VAL 11 7.694 6.040 0.806 50 HA VAL 11 HA VAL 11 8.630 5.479 -1.669 51 HB VAL 11 HB VAL 11 5.936 4.643 -0.587 52 HG11 VAL 11 1HG1 VAL 11 6.287 4.355 -3.075 53 HG12 VAL 11 2HG1 VAL 11 7.572 3.215 -2.669 54 HG13 VAL 11 3HG1 VAL 11 5.912 2.888 -2.170 55 HG21 VAL 11 1HG2 VAL 11 8.534 3.122 -0.534 56 HG22 VAL 11 2HG2 VAL 11 7.978 4.132 0.800 57 HG23 VAL 11 3HG2 VAL 11 7.030 2.731 0.301 58 H SER 12 H SER 12 8.450 6.416 -3.584 59 HA SER 12 HA SER 12 5.965 7.870 -4.215 60 HB2 SER 12 1HB SER 12 7.190 9.478 -5.403 61 HB3 SER 12 2HB SER 12 8.204 9.158 -3.996 62 HG SER 12 HG SER 12 8.860 8.932 -6.538 63 H ASP 13 H ASP 13 5.870 8.172 -6.761 64 HA ASP 13 HA ASP 13 5.217 7.098 -8.668 65 HB2 ASP 13 1HB ASP 13 7.932 5.847 -8.211 66 HB3 ASP 13 2HB ASP 13 7.021 5.707 -9.711 67 H ILE 14 H ILE 14 3.789 6.018 -6.763 68 HA ILE 14 HA ILE 14 4.169 3.128 -6.723 69 HB ILE 14 HB ILE 14 2.044 4.801 -5.378 70 HG12 ILE 14 1HG1 ILE 14 4.452 3.491 -4.111 71 HG13 ILE 14 2HG1 ILE 14 4.448 5.169 -4.644 72 HG21 ILE 14 1HG2 ILE 14 2.784 2.037 -4.544 73 HG22 ILE 14 2HG2 ILE 14 1.265 2.907 -4.339 74 HG23 ILE 14 3HG2 ILE 14 1.705 2.262 -5.920 75 HD11 ILE 14 1HD1 ILE 14 2.216 5.104 -3.115 76 HD12 ILE 14 2HD1 ILE 14 3.243 3.937 -2.282 77 HD13 ILE 14 3HD1 ILE 14 3.814 5.584 -2.544 78 H ARG 15 H ARG 15 3.279 1.877 -8.214 79 HA ARG 15 HA ARG 15 0.738 2.728 -9.438 80 HB2 ARG 15 1HB ARG 15 3.259 1.775 -10.717 81 HB3 ARG 15 2HB ARG 15 1.729 1.305 -11.446 82 HG2 ARG 15 1HG ARG 15 1.101 3.672 -11.619 83 HG3 ARG 15 2HG ARG 15 2.663 4.121 -10.933 84 HD2 ARG 15 1HD ARG 15 3.163 4.303 -13.150 85 HD3 ARG 15 2HD ARG 15 3.558 2.602 -12.903 86 HE ARG 15 HE ARG 15 0.985 2.476 -13.642 87 HH11 ARG 15 2HH1 ARG 15 3.713 4.163 -14.995 88 HH12 ARG 15 1HH1 ARG 15 3.119 4.087 -16.621 89 HH21 ARG 15 2HH2 ARG 15 0.192 2.369 -15.778 90 HH22 ARG 15 1HH2 ARG 15 1.116 3.067 -17.065 91 H VAL 16 H VAL 16 -0.498 0.907 -10.400 92 HA VAL 16 HA VAL 16 -0.212 -1.498 -8.726 93 HB VAL 16 HB VAL 16 -2.717 -0.610 -10.150 94 HG11 VAL 16 1HG1 VAL 16 -3.779 -2.092 -8.438 95 HG12 VAL 16 2HG1 VAL 16 -2.752 -2.934 -9.600 96 HG13 VAL 16 3HG1 VAL 16 -2.161 -2.613 -7.969 97 HG21 VAL 16 1HG2 VAL 16 -2.312 -0.241 -7.215 98 HG22 VAL 16 2HG2 VAL 16 -1.708 0.976 -8.339 99 HG23 VAL 16 3HG2 VAL 16 -3.427 0.581 -8.307 100 H THR 17 H THR 17 0.362 -3.323 -9.691 101 HA THR 17 HA THR 17 0.095 -3.514 -12.615 102 HB THR 17 HB THR 17 2.406 -3.669 -11.662 103 HG1 THR 17 1HG THR 17 1.712 -4.722 -13.669 104 HG21 THR 17 1HG2 THR 17 3.099 -5.487 -10.355 105 HG22 THR 17 2HG2 THR 17 1.633 -6.406 -10.695 106 HG23 THR 17 3HG2 THR 17 1.567 -5.002 -9.630 107 H ARG 18 H ARG 18 -0.419 -5.617 -13.526 108 HA ARG 18 HA ARG 18 -2.112 -7.177 -13.734 109 HB2 ARG 18 1HB ARG 18 -0.219 -8.088 -11.604 110 HB3 ARG 18 2HB ARG 18 -1.628 -9.073 -11.975 111 HG2 ARG 18 1HG ARG 18 0.466 -9.717 -13.175 112 HG3 ARG 18 2HG ARG 18 -0.921 -9.393 -14.217 113 HD2 ARG 18 1HD ARG 18 -0.067 -7.186 -14.724 114 HD3 ARG 18 2HD ARG 18 1.272 -7.418 -13.601 115 HE ARG 18 HE ARG 18 1.182 -9.420 -15.643 116 HH11 ARG 18 2HH1 ARG 18 2.218 -6.180 -14.900 117 HH12 ARG 18 1HH1 ARG 18 3.477 -6.170 -16.090 118 HH21 ARG 18 2HH2 ARG 18 2.837 -9.419 -17.213 119 HH22 ARG 18 1HH2 ARG 18 3.828 -8.013 -17.405 120 H SER 19 H SER 19 -3.315 -5.108 -12.552 121 HA SER 19 HA SER 19 -4.390 -5.519 -9.994 122 HB2 SER 19 1HB SER 19 -5.863 -3.741 -10.472 123 HB3 SER 19 2HB SER 19 -4.440 -3.396 -11.455 124 HG SER 19 HG SER 19 -5.575 -3.704 -13.207 125 H SER 20 H SER 20 -6.630 -6.036 -9.444 126 HA SER 20 HA SER 20 -8.086 -7.701 -11.331 127 HB2 SER 20 1HB SER 20 -6.698 -8.744 -8.900 128 HB3 SER 20 2HB SER 20 -8.268 -9.426 -9.325 129 HG SER 20 HG SER 20 -5.827 -9.590 -10.659 130 HA PRO 21 HA PRO 21 -11.624 -6.081 -9.306 131 HB2 PRO 21 1HB PRO 21 -13.381 -8.141 -9.511 132 HB3 PRO 21 2HB PRO 21 -12.893 -7.153 -10.893 133 HG2 PRO 21 1HG PRO 21 -11.905 -9.851 -10.050 134 HG3 PRO 21 2HG PRO 21 -12.305 -9.263 -11.675 135 HD2 PRO 21 1HD PRO 21 -9.758 -9.424 -10.769 136 HD3 PRO 21 2HD PRO 21 -10.287 -8.175 -11.914 137 H SER 22 H SER 22 -10.492 -9.239 -8.233 138 HA SER 22 HA SER 22 -11.815 -8.853 -5.643 139 HB2 SER 22 1HB SER 22 -11.534 -11.186 -5.257 140 HB3 SER 22 2HB SER 22 -12.056 -11.034 -6.935 141 HG SER 22 HG SER 22 -9.966 -11.390 -7.603 142 H SER 23 H SER 23 -8.666 -9.257 -7.145 143 HA SER 23 HA SER 23 -7.412 -8.625 -4.553 144 HB2 SER 23 1HB SER 23 -6.064 -10.108 -6.812 145 HB3 SER 23 2HB SER 23 -5.514 -9.943 -5.144 146 HG SER 23 HG SER 23 -7.742 -11.033 -4.783 147 H LEU 24 H LEU 24 -5.248 -7.536 -4.801 148 HA LEU 24 HA LEU 24 -4.971 -5.916 -7.205 149 HB2 LEU 24 1HB LEU 24 -5.092 -4.603 -4.502 150 HB3 LEU 24 2HB LEU 24 -5.009 -3.824 -6.081 151 HG LEU 24 HG LEU 24 -7.376 -5.477 -5.241 152 HD11 LEU 24 1HD1 LEU 24 -7.837 -3.939 -3.698 153 HD12 LEU 24 2HD1 LEU 24 -8.134 -2.834 -5.040 154 HD13 LEU 24 3HD1 LEU 24 -6.552 -2.870 -4.261 155 HD21 LEU 24 1HD2 LEU 24 -7.335 -3.160 -7.137 156 HD22 LEU 24 2HD2 LEU 24 -8.474 -4.503 -7.038 157 HD23 LEU 24 3HD2 LEU 24 -6.848 -4.769 -7.670 158 H SER 25 H SER 25 -2.933 -6.313 -7.756 159 HA SER 25 HA SER 25 -0.914 -6.841 -5.748 160 HB2 SER 25 1HB SER 25 -1.143 -8.056 -7.999 161 HB3 SER 25 2HB SER 25 -0.435 -6.609 -8.716 162 HG SER 25 HG SER 25 1.423 -6.955 -7.580 163 H LEU 26 H LEU 26 0.211 -5.279 -4.815 164 HA LEU 26 HA LEU 26 0.524 -2.717 -6.218 165 HB2 LEU 26 1HB LEU 26 0.997 -3.260 -3.297 166 HB3 LEU 26 2HB LEU 26 0.846 -1.694 -4.092 167 HG LEU 26 HG LEU 26 -1.449 -3.627 -4.031 168 HD11 LEU 26 1HD1 LEU 26 -0.472 -1.827 -1.852 169 HD12 LEU 26 2HD1 LEU 26 -1.083 -3.477 -1.751 170 HD13 LEU 26 3HD1 LEU 26 -2.196 -2.143 -2.049 171 HD21 LEU 26 1HD2 LEU 26 -2.743 -1.542 -4.213 172 HD22 LEU 26 2HD2 LEU 26 -1.624 -1.756 -5.559 173 HD23 LEU 26 3HD2 LEU 26 -1.236 -0.626 -4.261 174 H ALA 27 H ALA 27 2.506 -1.858 -6.623 175 HA ALA 27 HA ALA 27 4.899 -2.972 -5.453 176 HB1 ALA 27 1HB ALA 27 4.009 -3.727 -8.151 177 HB2 ALA 27 2HB ALA 27 5.691 -3.210 -8.029 178 HB3 ALA 27 3HB ALA 27 5.107 -4.550 -7.042 179 H TRP 28 H TRP 28 6.248 -1.339 -5.116 180 HA TRP 28 HA TRP 28 6.048 1.025 -6.862 181 HB2 TRP 28 1HB TRP 28 7.200 2.104 -4.739 182 HB3 TRP 28 2HB TRP 28 5.454 1.887 -4.813 183 HD1 TRP 28 HD TRP 28 8.223 1.330 -2.536 184 HE1 TRP 28 1HE TRP 28 7.620 -0.386 -0.715 185 HE3 TRP 28 3HE TRP 28 4.010 -0.650 -4.650 186 HZ2 TRP 28 2HZ TRP 28 5.623 -2.323 -0.238 187 HZ3 TRP 28 3HZ TRP 28 2.812 -2.431 -3.447 188 HH2 TRP 28 HH TRP 28 3.604 -3.249 -1.287 189 H ALA 29 H ALA 29 8.127 2.348 -6.876 190 HA ALA 29 HA ALA 29 10.292 0.562 -7.615 191 HB1 ALA 29 1HB ALA 29 11.365 2.617 -8.480 192 HB2 ALA 29 2HB ALA 29 9.756 2.341 -9.148 193 HB3 ALA 29 3HB ALA 29 9.991 3.549 -7.886 194 H VAL 30 H VAL 30 11.792 -0.025 -6.203 195 HA VAL 30 HA VAL 30 12.093 0.778 -3.616 196 HB VAL 30 HB VAL 30 13.254 -1.163 -4.667 197 HG11 VAL 30 1HG1 VAL 30 14.131 0.291 -6.586 198 HG12 VAL 30 2HG1 VAL 30 15.418 0.755 -5.471 199 HG13 VAL 30 3HG1 VAL 30 15.211 -0.937 -5.926 200 HG21 VAL 30 1HG2 VAL 30 14.966 0.725 -3.053 201 HG22 VAL 30 2HG2 VAL 30 13.839 -0.476 -2.421 202 HG23 VAL 30 3HG2 VAL 30 15.290 -0.994 -3.279 203 HA PRO 31 HA PRO 31 13.530 4.977 -4.055 204 HB2 PRO 31 1HB PRO 31 13.725 5.474 -1.393 205 HB3 PRO 31 2HB PRO 31 12.183 5.464 -2.258 206 HG2 PRO 31 1HG PRO 31 13.427 3.320 -0.579 207 HG3 PRO 31 2HG PRO 31 11.741 3.870 -0.624 208 HD2 PRO 31 1HD PRO 31 12.578 1.628 -1.893 209 HD3 PRO 31 2HD PRO 31 11.261 2.643 -2.515 210 H ARG 32 H ARG 32 15.357 6.266 -2.953 211 HA ARG 32 HA ARG 32 17.687 4.509 -2.549 212 HB2 ARG 32 1HB ARG 32 17.623 7.165 -3.994 213 HB3 ARG 32 2HB ARG 32 19.062 6.200 -3.692 214 HG2 ARG 32 1HG ARG 32 18.214 4.429 -5.102 215 HG3 ARG 32 2HG ARG 32 16.705 5.312 -5.343 216 HD2 ARG 32 1HD ARG 32 17.734 6.951 -6.646 217 HD3 ARG 32 2HD ARG 32 19.344 6.540 -6.056 218 HE ARG 32 HE ARG 32 17.932 5.313 -8.236 219 HH11 ARG 32 2HH1 ARG 32 20.406 4.881 -5.825 220 HH12 ARG 32 1HH1 ARG 32 21.243 3.654 -6.716 221 HH21 ARG 32 2HH2 ARG 32 19.026 3.699 -9.420 222 HH22 ARG 32 1HH2 ARG 32 20.458 2.983 -8.761 223 H ALA 33 H ALA 33 18.451 4.695 -0.558 224 HA ALA 33 HA ALA 33 18.121 7.255 0.855 225 HB1 ALA 33 1HB ALA 33 17.973 4.440 1.705 226 HB2 ALA 33 2HB ALA 33 18.789 5.536 2.821 227 HB3 ALA 33 3HB ALA 33 17.129 5.861 2.321 228 HA PRO 34 HA PRO 34 22.478 7.888 0.770 229 HB2 PRO 34 1HB PRO 34 22.712 9.535 2.916 230 HB3 PRO 34 2HB PRO 34 22.022 10.058 1.375 231 HG2 PRO 34 1HG PRO 34 20.628 9.204 3.883 232 HG3 PRO 34 2HG PRO 34 20.255 10.559 2.802 233 HD2 PRO 34 1HD PRO 34 18.893 8.220 2.729 234 HD3 PRO 34 2HD PRO 34 19.167 9.210 1.282 235 H SER 35 H SER 35 21.060 7.201 3.965 236 HA SER 35 HA SER 35 23.538 5.804 4.706 237 HB2 SER 35 1HB SER 35 22.751 6.002 7.031 238 HB3 SER 35 2HB SER 35 22.835 7.581 6.250 239 HG SER 35 HG SER 35 20.430 6.130 6.208 240 H GLY 36 H GLY 36 23.568 3.655 4.909 241 HA2 GLY 36 1HA GLY 36 22.858 1.473 4.876 242 HA3 GLY 36 2HA GLY 36 21.513 2.034 5.858 243 H ALA 37 H ALA 37 20.261 0.399 4.745 244 HA ALA 37 HA ALA 37 19.175 1.442 2.229 245 HB1 ALA 37 1HB ALA 37 18.955 -1.126 1.638 246 HB2 ALA 37 2HB ALA 37 20.405 -0.204 1.239 247 HB3 ALA 37 3HB ALA 37 20.382 -1.236 2.669 248 H VAL 38 H VAL 38 16.992 0.997 1.873 249 HA VAL 38 HA VAL 38 15.274 1.001 3.999 250 HB VAL 38 HB VAL 38 14.699 -0.194 1.284 251 HG11 VAL 38 1HG1 VAL 38 12.773 0.992 3.275 252 HG12 VAL 38 2HG1 VAL 38 12.383 0.215 1.740 253 HG13 VAL 38 3HG1 VAL 38 13.046 -0.737 3.068 254 HG21 VAL 38 1HG2 VAL 38 13.855 2.551 2.000 255 HG22 VAL 38 2HG2 VAL 38 15.572 2.301 1.680 256 HG23 VAL 38 3HG2 VAL 38 14.377 1.892 0.449 257 H LEU 39 H LEU 39 14.735 -0.422 5.507 258 HA LEU 39 HA LEU 39 15.602 -3.161 5.324 259 HB2 LEU 39 1HB LEU 39 13.943 -1.811 7.447 260 HB3 LEU 39 2HB LEU 39 14.734 -3.379 7.582 261 HG LEU 39 HG LEU 39 16.185 -0.754 7.261 262 HD11 LEU 39 1HD1 LEU 39 14.906 -1.857 9.547 263 HD12 LEU 39 2HD1 LEU 39 15.899 -0.404 9.428 264 HD13 LEU 39 3HD1 LEU 39 16.652 -1.960 9.777 265 HD21 LEU 39 1HD2 LEU 39 17.545 -3.093 8.386 266 HD22 LEU 39 2HD2 LEU 39 18.105 -1.912 7.202 267 HD23 LEU 39 3HD2 LEU 39 17.085 -3.258 6.692 268 H ASP 40 H ASP 40 12.415 -1.769 6.123 269 HA ASP 40 HA ASP 40 11.151 -3.714 4.343 270 HB2 ASP 40 1HB ASP 40 9.521 -4.358 6.080 271 HB3 ASP 40 2HB ASP 40 11.164 -4.817 6.519 272 H TYR 41 H TYR 41 8.679 -3.282 4.330 273 HA TYR 41 HA TYR 41 8.233 -0.371 4.418 274 HB2 TYR 41 1HB TYR 41 7.043 -2.249 2.373 275 HB3 TYR 41 2HB TYR 41 6.966 -0.491 2.383 276 HD1 TYR 41 1HD TYR 41 9.225 -3.381 1.916 277 HD2 TYR 41 2HD TYR 41 8.715 0.818 1.454 278 HE1 TYR 41 1HE TYR 41 11.260 -3.291 0.537 279 HE2 TYR 41 2HE TYR 41 10.747 0.919 0.073 280 HH TYR 41 HH TYR 41 13.037 -1.206 0.013 281 H GLU 42 H GLU 42 5.839 0.171 4.371 282 HA GLU 42 HA GLU 42 4.253 -1.823 5.835 283 HB2 GLU 42 1HB GLU 42 5.342 -0.015 7.313 284 HB3 GLU 42 2HB GLU 42 4.193 1.092 6.574 285 HG2 GLU 42 1HG GLU 42 3.150 -1.424 7.753 286 HG3 GLU 42 2HG GLU 42 3.678 -0.144 8.843 287 H VAL 43 H VAL 43 2.376 -2.171 4.865 288 HA VAL 43 HA VAL 43 1.325 -0.119 3.042 289 HB VAL 43 HB VAL 43 0.673 -3.067 3.168 290 HG11 VAL 43 1HG1 VAL 43 -0.107 -2.122 0.709 291 HG12 VAL 43 2HG1 VAL 43 -1.176 -2.443 2.076 292 HG13 VAL 43 3HG1 VAL 43 -0.565 -0.812 1.797 293 HG21 VAL 43 1HG2 VAL 43 2.944 -1.844 2.156 294 HG22 VAL 43 2HG2 VAL 43 2.359 -3.461 1.762 295 HG23 VAL 43 3HG2 VAL 43 1.921 -2.092 0.740 296 H LYS 44 H LYS 44 -0.185 1.120 3.933 297 HA LYS 44 HA LYS 44 -2.107 -0.117 5.792 298 HB2 LYS 44 1HB LYS 44 -0.839 1.587 6.916 299 HB3 LYS 44 2HB LYS 44 -1.110 2.727 5.605 300 HG2 LYS 44 1HG LYS 44 -3.440 2.889 6.149 301 HG3 LYS 44 2HG LYS 44 -3.289 1.607 7.354 302 HD2 LYS 44 1HD LYS 44 -2.223 2.966 8.864 303 HD3 LYS 44 2HD LYS 44 -1.549 4.011 7.611 304 HE2 LYS 44 1HE LYS 44 -3.148 5.404 8.457 305 HE3 LYS 44 2HE LYS 44 -4.094 4.586 7.215 306 HZ1 LYS 44 1HZ LYS 44 -4.931 3.073 8.906 307 HZ2 LYS 44 2HZ LYS 44 -5.288 4.676 9.307 308 HZ3 LYS 44 3HZ LYS 44 -4.030 3.868 10.096 309 H TYR 45 H TYR 45 -3.890 -0.623 4.684 310 HA TYR 45 HA TYR 45 -4.996 1.404 2.853 311 HB2 TYR 45 1HB TYR 45 -6.053 -0.462 1.619 312 HB3 TYR 45 2HB TYR 45 -4.296 -0.566 1.611 313 HD1 TYR 45 2HD TYR 45 -3.163 -2.218 3.117 314 HD2 TYR 45 1HD TYR 45 -7.379 -2.193 2.547 315 HE1 TYR 45 2HE TYR 45 -3.289 -4.512 3.995 316 HE2 TYR 45 1HE TYR 45 -7.518 -4.486 3.425 317 HH TYR 45 HH TYR 45 -5.205 -6.540 3.578 318 H HIS 46 H HIS 46 -7.024 2.091 3.208 319 HA HIS 46 HA HIS 46 -8.762 0.561 5.000 320 HB2 HIS 46 1HB HIS 46 -9.237 2.399 6.416 321 HB3 HIS 46 2HB HIS 46 -7.482 2.363 6.269 322 HD1 HIS 46 1HD HIS 46 -6.371 4.271 4.888 323 HD2 HIS 46 2HD HIS 46 -10.480 4.656 5.367 324 HE1 HIS 46 1HE HIS 46 -6.908 6.634 4.214 325 HE2 HIS 46 2HE HIS 46 -9.387 6.869 4.594 326 H GLU 47 H GLU 47 -10.961 0.840 4.652 327 HA GLU 47 HA GLU 47 -11.757 1.492 2.040 328 HB2 GLU 47 1HB GLU 47 -12.894 0.037 3.933 329 HB3 GLU 47 2HB GLU 47 -13.739 1.541 4.272 330 HG2 GLU 47 1HG GLU 47 -14.214 1.512 1.705 331 HG3 GLU 47 2HG GLU 47 -13.878 -0.211 1.869 332 H LYS 48 H LYS 48 -12.166 3.378 1.108 333 HA LYS 48 HA LYS 48 -11.683 5.848 1.990 334 HB2 LYS 48 1HB LYS 48 -12.362 5.504 -0.285 335 HB3 LYS 48 2HB LYS 48 -13.971 4.997 0.212 336 HG2 LYS 48 1HG LYS 48 -14.432 7.126 -0.420 337 HG3 LYS 48 2HG LYS 48 -14.014 7.420 1.270 338 HD2 LYS 48 1HD LYS 48 -12.711 9.010 0.273 339 HD3 LYS 48 2HD LYS 48 -11.582 7.653 0.252 340 HE2 LYS 48 1HE LYS 48 -11.416 8.308 -1.925 341 HE3 LYS 48 2HE LYS 48 -12.764 7.181 -2.068 342 HZ1 LYS 48 1HZ LYS 48 -13.845 9.649 -1.407 343 HZ2 LYS 48 2HZ LYS 48 -13.961 8.836 -2.885 344 HZ3 LYS 48 3HZ LYS 48 -12.709 9.944 -2.626 345 H GLY 49 H GLY 49 -14.805 4.204 2.450 346 HA2 GLY 49 1HA GLY 49 -15.682 6.371 4.211 347 HA3 GLY 49 2HA GLY 49 -16.682 5.059 3.604 348 H ALA 50 H ALA 50 -13.899 5.647 5.742 349 HA ALA 50 HA ALA 50 -14.988 3.584 7.543 350 HB1 ALA 50 1HB ALA 50 -12.685 3.016 8.183 351 HB2 ALA 50 2HB ALA 50 -12.989 2.727 6.470 352 HB3 ALA 50 3HB ALA 50 -12.081 4.152 6.976 353 H GLU 51 H GLU 51 -15.721 4.514 9.331 354 HA GLU 51 HA GLU 51 -14.773 7.106 10.173 355 HB2 GLU 51 1HB GLU 51 -17.181 6.346 10.294 356 HB3 GLU 51 2HB GLU 51 -16.705 5.296 11.622 357 HG2 GLU 51 1HG GLU 51 -17.725 7.486 12.281 358 HG3 GLU 51 2HG GLU 51 -16.159 7.128 13.004 359 H GLY 52 H GLY 52 -12.602 6.694 10.730 360 HA2 GLY 52 1HA GLY 52 -11.295 6.655 12.763 361 HA3 GLY 52 2HA GLY 52 -12.315 5.343 13.335 362 HA PRO 53 HA PRO 53 -8.358 3.871 11.083 363 HB2 PRO 53 1HB PRO 53 -6.777 3.382 13.235 364 HB3 PRO 53 2HB PRO 53 -6.781 4.927 12.377 365 HG2 PRO 53 1HG PRO 53 -8.169 4.168 14.919 366 HG3 PRO 53 2HG PRO 53 -7.286 5.656 14.527 367 HD2 PRO 53 1HD PRO 53 -9.989 5.507 14.468 368 HD3 PRO 53 2HD PRO 53 -9.067 6.558 13.374 369 H SER 54 H SER 54 -10.679 2.876 13.233 370 HA SER 54 HA SER 54 -9.794 0.340 14.051 371 HB2 SER 54 1HB SER 54 -11.879 1.686 14.798 372 HB3 SER 54 2HB SER 54 -12.677 0.927 13.421 373 HG SER 54 HG SER 54 -12.875 -0.789 14.596 374 H SER 55 H SER 55 -11.830 1.262 11.277 375 HA SER 55 HA SER 55 -11.721 -1.405 10.183 376 HB2 SER 55 1HB SER 55 -13.718 0.097 9.954 377 HB3 SER 55 2HB SER 55 -12.765 1.114 8.873 378 HG SER 55 HG SER 55 -12.437 -1.111 7.783 379 H VAL 56 H VAL 56 -9.168 -0.715 10.444 380 HA VAL 56 HA VAL 56 -8.307 -0.194 7.678 381 HB VAL 56 HB VAL 56 -6.779 0.723 10.114 382 HG11 VAL 56 1HG1 VAL 56 -6.077 0.398 7.386 383 HG12 VAL 56 2HG1 VAL 56 -6.134 2.128 7.730 384 HG13 VAL 56 3HG1 VAL 56 -5.107 1.068 8.697 385 HG21 VAL 56 1HG2 VAL 56 -8.716 2.195 8.350 386 HG22 VAL 56 2HG2 VAL 56 -8.699 2.081 10.110 387 HG23 VAL 56 3HG2 VAL 56 -7.468 3.030 9.277 388 H ARG 57 H ARG 57 -6.684 -1.472 6.896 389 HA ARG 57 HA ARG 57 -5.769 -3.631 8.678 390 HB2 ARG 57 1HB ARG 57 -6.570 -3.577 5.808 391 HB3 ARG 57 2HB ARG 57 -5.308 -4.703 6.289 392 HG2 ARG 57 1HG ARG 57 -6.950 -5.459 8.108 393 HG3 ARG 57 2HG ARG 57 -8.171 -4.609 7.157 394 HD2 ARG 57 1HD ARG 57 -7.622 -5.973 5.214 395 HD3 ARG 57 2HD ARG 57 -6.364 -6.798 6.134 396 HE ARG 57 HE ARG 57 -8.651 -7.176 7.585 397 HH11 ARG 57 2HH1 ARG 57 -7.654 -7.835 4.315 398 HH12 ARG 57 1HH1 ARG 57 -8.673 -9.226 4.146 399 HH21 ARG 57 2HH2 ARG 57 -9.996 -9.006 7.375 400 HH22 ARG 57 1HH2 ARG 57 -10.006 -9.890 5.887 401 H PHE 58 H PHE 58 -3.611 -4.455 8.338 402 HA PHE 58 HA PHE 58 -1.786 -2.547 7.044 403 HB2 PHE 58 1HB PHE 58 -1.583 -3.712 9.817 404 HB3 PHE 58 2HB PHE 58 -0.182 -3.063 8.971 405 HD1 PHE 58 2HD PHE 58 -3.607 -2.150 10.089 406 HD2 PHE 58 1HD PHE 58 0.307 -0.804 9.097 407 HE1 PHE 58 2HE PHE 58 -4.191 0.110 10.867 408 HE2 PHE 58 1HE PHE 58 -0.270 1.458 9.875 409 HZ PHE 58 HZ PHE 58 -2.522 1.918 10.760 410 H LEU 59 H LEU 59 0.208 -3.429 6.316 411 HA LEU 59 HA LEU 59 0.561 -6.309 6.421 412 HB2 LEU 59 1HB LEU 59 -0.804 -6.281 4.527 413 HB3 LEU 59 2HB LEU 59 -0.088 -4.789 3.922 414 HG LEU 59 HG LEU 59 2.061 -6.309 3.716 415 HD11 LEU 59 1HD1 LEU 59 0.168 -8.429 2.960 416 HD12 LEU 59 2HD1 LEU 59 0.394 -8.193 4.693 417 HD13 LEU 59 3HD1 LEU 59 1.783 -8.539 3.662 418 HD21 LEU 59 1HD2 LEU 59 0.445 -7.067 1.498 419 HD22 LEU 59 2HD2 LEU 59 1.686 -5.817 1.586 420 HD23 LEU 59 3HD2 LEU 59 0.011 -5.425 1.977 421 H LYS 60 H LYS 60 2.604 -6.476 7.054 422 HA LYS 60 HA LYS 60 4.571 -4.501 6.194 423 HB2 LYS 60 1HB LYS 60 4.539 -6.643 8.303 424 HB3 LYS 60 2HB LYS 60 6.048 -5.887 7.807 425 HG2 LYS 60 1HG LYS 60 5.509 -3.870 8.738 426 HG3 LYS 60 2HG LYS 60 3.771 -4.138 8.581 427 HD2 LYS 60 1HD LYS 60 3.654 -5.391 10.506 428 HD3 LYS 60 2HD LYS 60 5.342 -5.896 10.407 429 HE2 LYS 60 1HE LYS 60 5.982 -3.528 10.924 430 HE3 LYS 60 2HE LYS 60 4.277 -3.198 11.226 431 HZ1 LYS 60 1HZ LYS 60 5.694 -5.372 12.638 432 HZ2 LYS 60 2HZ LYS 60 4.259 -4.590 13.075 433 HZ3 LYS 60 3HZ LYS 60 5.738 -3.780 13.208 434 H THR 61 H THR 61 5.669 -4.857 4.391 435 HA THR 61 HA THR 61 6.297 -7.640 3.648 436 HB THR 61 HB THR 61 4.861 -6.725 1.972 437 HG1 THR 61 1HG THR 61 6.906 -7.812 1.312 438 HG21 THR 61 1HG2 THR 61 6.762 -4.387 1.768 439 HG22 THR 61 2HG2 THR 61 5.184 -4.343 2.553 440 HG23 THR 61 3HG2 THR 61 5.298 -4.636 0.818 441 H SER 62 H SER 62 8.369 -8.165 3.053 442 HA SER 62 HA SER 62 10.446 -6.432 4.015 443 HB2 SER 62 1HB SER 62 11.947 -8.261 3.556 444 HB3 SER 62 2HB SER 62 10.475 -8.932 4.258 445 HG SER 62 HG SER 62 11.166 -8.862 1.505 446 H GLU 63 H GLU 63 8.913 -6.952 1.014 447 HA GLU 63 HA GLU 63 11.107 -5.581 -0.396 448 HB2 GLU 63 1HB GLU 63 10.174 -6.551 -2.474 449 HB3 GLU 63 2HB GLU 63 10.707 -7.777 -1.331 450 HG2 GLU 63 1HG GLU 63 8.201 -7.728 -0.579 451 HG3 GLU 63 2HG GLU 63 7.952 -7.053 -2.188 452 H ASN 64 H ASN 64 10.247 -4.312 -2.359 453 HA ASN 64 HA ASN 64 8.287 -2.435 -1.345 454 HB2 ASN 64 1HB ASN 64 8.985 -0.982 -3.103 455 HB3 ASN 64 2HB ASN 64 10.443 -1.749 -2.480 456 HD21 ASN 64 1HD2 ASN 64 10.970 -0.792 -4.737 457 HD22 ASN 64 2HD2 ASN 64 10.882 -1.921 -6.042 458 H ARG 65 H ARG 65 7.509 -5.170 -2.242 459 HA ARG 65 HA ARG 65 5.309 -4.330 -3.966 460 HB2 ARG 65 1HB ARG 65 5.599 -6.368 -5.385 461 HB3 ARG 65 2HB ARG 65 6.877 -5.174 -5.574 462 HG2 ARG 65 1HG ARG 65 8.329 -6.491 -4.119 463 HG3 ARG 65 2HG ARG 65 7.047 -7.687 -3.925 464 HD2 ARG 65 1HD ARG 65 8.418 -6.933 -6.503 465 HD3 ARG 65 2HD ARG 65 8.659 -8.421 -5.589 466 HE ARG 65 HE ARG 65 5.946 -8.232 -6.173 467 HH11 ARG 65 2HH1 ARG 65 8.964 -8.577 -7.874 468 HH12 ARG 65 1HH1 ARG 65 8.268 -9.452 -9.198 469 HH21 ARG 65 2HH2 ARG 65 5.018 -9.383 -7.910 470 HH22 ARG 65 1HH2 ARG 65 6.023 -9.909 -9.218 471 H ALA 66 H ALA 66 3.414 -5.244 -3.418 472 HA ALA 66 HA ALA 66 3.400 -7.708 -1.845 473 HB1 ALA 66 1HB ALA 66 2.937 -5.101 -0.742 474 HB2 ALA 66 2HB ALA 66 1.474 -6.078 -0.621 475 HB3 ALA 66 3HB ALA 66 2.986 -6.666 0.070 476 H GLU 67 H GLU 67 1.199 -8.619 -1.620 477 HA GLU 67 HA GLU 67 -0.596 -7.759 -3.789 478 HB2 GLU 67 1HB GLU 67 0.527 -9.700 -4.624 479 HB3 GLU 67 2HB GLU 67 0.289 -10.563 -3.112 480 HG2 GLU 67 1HG GLU 67 -1.349 -11.519 -4.353 481 HG3 GLU 67 2HG GLU 67 -2.252 -10.164 -3.680 482 H LEU 68 H LEU 68 -2.587 -7.347 -3.111 483 HA LEU 68 HA LEU 68 -3.423 -8.389 -0.495 484 HB2 LEU 68 1HB LEU 68 -4.605 -6.117 -2.083 485 HB3 LEU 68 2HB LEU 68 -5.014 -6.572 -0.431 486 HG LEU 68 HG LEU 68 -2.287 -5.589 -1.253 487 HD11 LEU 68 1HD1 LEU 68 -3.098 -3.477 -0.049 488 HD12 LEU 68 2HD1 LEU 68 -4.723 -4.089 -0.358 489 HD13 LEU 68 3HD1 LEU 68 -3.638 -3.745 -1.706 490 HD21 LEU 68 1HD2 LEU 68 -1.691 -5.864 0.881 491 HD22 LEU 68 2HD2 LEU 68 -3.117 -6.892 1.022 492 HD23 LEU 68 3HD2 LEU 68 -3.207 -5.191 1.481 493 H ARG 69 H ARG 69 -4.902 -9.938 -0.410 494 HA ARG 69 HA ARG 69 -6.609 -10.376 -2.771 495 HB2 ARG 69 1HB ARG 69 -5.686 -12.371 -0.694 496 HB3 ARG 69 2HB ARG 69 -6.749 -12.730 -2.048 497 HG2 ARG 69 1HG ARG 69 -5.019 -12.359 -3.622 498 HG3 ARG 69 2HG ARG 69 -3.966 -11.652 -2.395 499 HD2 ARG 69 1HD ARG 69 -3.081 -13.752 -2.490 500 HD3 ARG 69 2HD ARG 69 -4.310 -14.007 -1.251 501 HE ARG 69 HE ARG 69 -5.277 -15.505 -2.659 502 HH11 ARG 69 2HH1 ARG 69 -3.502 -13.203 -4.574 503 HH12 ARG 69 1HH1 ARG 69 -3.863 -13.981 -6.080 504 HH21 ARG 69 2HH2 ARG 69 -5.759 -16.538 -4.635 505 HH22 ARG 69 1HH2 ARG 69 -5.148 -15.877 -6.113 506 H GLY 70 H GLY 70 -8.768 -11.266 -2.336 507 HA2 GLY 70 1HA GLY 70 -10.793 -11.288 -1.244 508 HA3 GLY 70 2HA GLY 70 -9.905 -11.176 0.269 509 H LEU 71 H LEU 71 -10.884 -9.186 -2.514 510 HA LEU 71 HA LEU 71 -11.617 -7.058 -0.646 511 HB2 LEU 71 1HB LEU 71 -10.045 -6.482 -3.143 512 HB3 LEU 71 2HB LEU 71 -10.477 -5.361 -1.854 513 HG LEU 71 HG LEU 71 -8.710 -7.689 -1.239 514 HD11 LEU 71 1HD1 LEU 71 -6.831 -6.799 -2.152 515 HD12 LEU 71 2HD1 LEU 71 -7.436 -5.145 -2.068 516 HD13 LEU 71 3HD1 LEU 71 -8.004 -6.227 -3.340 517 HD21 LEU 71 1HD2 LEU 71 -7.787 -6.077 0.378 518 HD22 LEU 71 2HD2 LEU 71 -9.519 -6.332 0.596 519 HD23 LEU 71 3HD2 LEU 71 -8.936 -4.868 -0.196 520 H LYS 72 H LYS 72 -12.594 -5.162 -2.116 521 HA LYS 72 HA LYS 72 -14.733 -6.448 -3.627 522 HB2 LYS 72 1HB LYS 72 -14.441 -3.582 -2.708 523 HB3 LYS 72 2HB LYS 72 -15.868 -4.273 -3.470 524 HG2 LYS 72 1HG LYS 72 -15.741 -5.960 -1.470 525 HG3 LYS 72 2HG LYS 72 -14.809 -4.663 -0.716 526 HD2 LYS 72 1HD LYS 72 -16.602 -3.238 -0.634 527 HD3 LYS 72 2HD LYS 72 -17.384 -3.969 -2.038 528 HE2 LYS 72 1HE LYS 72 -18.747 -4.692 -0.329 529 HE3 LYS 72 2HE LYS 72 -17.621 -6.041 -0.468 530 HZ1 LYS 72 1HZ LYS 72 -16.804 -5.656 1.558 531 HZ2 LYS 72 2HZ LYS 72 -18.192 -4.725 1.816 532 HZ3 LYS 72 3HZ LYS 72 -16.749 -3.979 1.342 533 H ARG 73 H ARG 73 -15.585 -4.915 -5.487 534 HA ARG 73 HA ARG 73 -13.268 -4.210 -7.166 535 HB2 ARG 73 1HB ARG 73 -15.037 -4.798 -9.052 536 HB3 ARG 73 2HB ARG 73 -14.029 -6.037 -8.315 537 HG2 ARG 73 1HG ARG 73 -16.677 -5.449 -7.096 538 HG3 ARG 73 2HG ARG 73 -16.616 -6.370 -8.600 539 HD2 ARG 73 1HD ARG 73 -15.020 -7.931 -7.512 540 HD3 ARG 73 2HD ARG 73 -15.244 -7.049 -6.003 541 HE ARG 73 HE ARG 73 -17.078 -8.912 -7.220 542 HH11 ARG 73 2HH1 ARG 73 -16.692 -6.292 -4.960 543 HH12 ARG 73 1HH1 ARG 73 -18.104 -6.702 -4.043 544 HH21 ARG 73 2HH2 ARG 73 -18.940 -9.461 -6.021 545 HH22 ARG 73 1HH2 ARG 73 -19.381 -8.505 -4.647 546 H GLY 74 H GLY 74 -13.473 -2.025 -6.421 547 HA2 GLY 74 1HA GLY 74 -14.306 -0.079 -7.882 548 HA3 GLY 74 2HA GLY 74 -15.891 -0.625 -7.354 549 H ALA 75 H ALA 75 -15.507 -1.166 -4.714 550 HA ALA 75 HA ALA 75 -15.888 1.182 -3.413 551 HB1 ALA 75 1HB ALA 75 -14.363 -0.599 -1.718 552 HB2 ALA 75 2HB ALA 75 -16.057 -0.118 -1.615 553 HB3 ALA 75 3HB ALA 75 -15.584 -1.466 -2.650 554 H SER 76 H SER 76 -14.628 2.929 -3.778 555 HA SER 76 HA SER 76 -12.048 3.251 -4.359 556 HB2 SER 76 1HB SER 76 -12.146 5.278 -2.651 557 HB3 SER 76 2HB SER 76 -13.118 5.279 -4.122 558 HG SER 76 HG SER 76 -14.305 5.811 -2.195 559 H TYR 77 H TYR 77 -10.171 2.564 -3.594 560 HA TYR 77 HA TYR 77 -9.967 1.935 -0.722 561 HB2 TYR 77 1HB TYR 77 -9.036 0.482 -3.144 562 HB3 TYR 77 2HB TYR 77 -7.989 0.442 -1.729 563 HD1 TYR 77 1HD TYR 77 -8.980 -0.384 0.468 564 HD2 TYR 77 2HD TYR 77 -10.909 -0.923 -3.287 565 HE1 TYR 77 1HE TYR 77 -10.350 -2.183 1.436 566 HE2 TYR 77 2HE TYR 77 -12.284 -2.722 -2.328 567 HH TYR 77 HH TYR 77 -11.596 -4.220 0.563 568 H LEU 78 H LEU 78 -8.794 3.413 0.293 569 HA LEU 78 HA LEU 78 -6.651 4.796 -1.147 570 HB2 LEU 78 1HB LEU 78 -8.165 5.386 1.375 571 HB3 LEU 78 2HB LEU 78 -6.667 6.227 0.981 572 HG LEU 78 HG LEU 78 -8.597 7.573 0.383 573 HD11 LEU 78 1HD1 LEU 78 -6.427 7.121 -1.169 574 HD12 LEU 78 2HD1 LEU 78 -7.652 8.344 -1.502 575 HD13 LEU 78 3HD1 LEU 78 -7.729 6.776 -2.308 576 HD21 LEU 78 1HD2 LEU 78 -9.348 5.308 -1.462 577 HD22 LEU 78 2HD2 LEU 78 -10.168 6.863 -1.326 578 HD23 LEU 78 3HD2 LEU 78 -10.187 5.733 0.030 579 H VAL 79 H VAL 79 -4.913 3.445 -1.091 580 HA VAL 79 HA VAL 79 -3.989 2.555 1.562 581 HB VAL 79 HB VAL 79 -4.419 0.701 0.020 582 HG11 VAL 79 1HG1 VAL 79 -3.859 2.149 -2.025 583 HG12 VAL 79 2HG1 VAL 79 -2.184 1.684 -1.721 584 HG13 VAL 79 3HG1 VAL 79 -3.395 0.448 -2.062 585 HG21 VAL 79 1HG2 VAL 79 -1.461 1.101 0.453 586 HG22 VAL 79 2HG2 VAL 79 -2.596 0.563 1.692 587 HG23 VAL 79 3HG2 VAL 79 -2.306 -0.437 0.268 588 H GLN 80 H GLN 80 -1.959 3.061 2.247 589 HA GLN 80 HA GLN 80 -0.292 4.675 0.435 590 HB2 GLN 80 1HB GLN 80 -0.734 5.148 3.388 591 HB3 GLN 80 2HB GLN 80 0.363 6.061 2.360 592 HG2 GLN 80 1HG GLN 80 -1.315 7.213 1.346 593 HG3 GLN 80 2HG GLN 80 -2.484 5.910 1.551 594 HE21 GLN 80 1HE2 GLN 80 -2.960 8.640 2.096 595 HE22 GLN 80 2HE2 GLN 80 -3.277 8.796 3.787 596 H VAL 81 H VAL 81 1.644 3.820 0.115 597 HA VAL 81 HA VAL 81 2.661 1.855 2.044 598 HB VAL 81 HB VAL 81 3.573 2.358 -0.792 599 HG11 VAL 81 1HG1 VAL 81 4.250 -0.224 0.047 600 HG12 VAL 81 2HG1 VAL 81 5.341 1.136 -0.226 601 HG13 VAL 81 3HG1 VAL 81 4.684 0.841 1.384 602 HG21 VAL 81 1HG2 VAL 81 1.645 0.366 0.371 603 HG22 VAL 81 2HG2 VAL 81 1.381 1.501 -0.952 604 HG23 VAL 81 3HG2 VAL 81 2.446 0.114 -1.180 605 H ARG 82 H ARG 82 4.430 2.239 3.223 606 HA ARG 82 HA ARG 82 6.122 4.537 2.493 607 HB2 ARG 82 1HB ARG 82 6.261 5.246 4.738 608 HB3 ARG 82 2HB ARG 82 4.555 4.918 4.466 609 HG2 ARG 82 1HG ARG 82 4.800 2.747 5.566 610 HG3 ARG 82 2HG ARG 82 6.508 3.090 5.850 611 HD2 ARG 82 1HD ARG 82 6.032 4.795 7.375 612 HD3 ARG 82 2HD ARG 82 4.367 4.952 6.816 613 HE ARG 82 HE ARG 82 4.802 2.375 7.893 614 HH11 ARG 82 2HH1 ARG 82 4.406 5.703 8.836 615 HH12 ARG 82 1HH1 ARG 82 3.754 5.320 10.395 616 HH21 ARG 82 2HH2 ARG 82 3.945 1.858 9.943 617 HH22 ARG 82 1HH2 ARG 82 3.493 3.132 11.024 618 H ALA 83 H ALA 83 8.318 4.441 3.384 619 HA ALA 83 HA ALA 83 9.268 1.658 3.517 620 HB1 ALA 83 1HB ALA 83 10.001 3.388 1.678 621 HB2 ALA 83 2HB ALA 83 11.117 3.918 2.938 622 HB3 ALA 83 3HB ALA 83 11.157 2.249 2.369 623 H ARG 84 H ARG 84 11.282 1.335 4.812 624 HA ARG 84 HA ARG 84 11.560 3.168 7.072 625 HB2 ARG 84 1HB ARG 84 9.947 1.614 7.916 626 HB3 ARG 84 2HB ARG 84 10.859 0.242 7.300 627 HG2 ARG 84 1HG ARG 84 12.721 1.224 8.902 628 HG3 ARG 84 2HG ARG 84 11.308 1.888 9.724 629 HD2 ARG 84 1HD ARG 84 10.404 -0.563 9.469 630 HD3 ARG 84 2HD ARG 84 12.118 -0.953 9.324 631 HE ARG 84 HE ARG 84 11.798 0.674 11.566 632 HH11 ARG 84 2HH1 ARG 84 10.877 -2.499 10.469 633 HH12 ARG 84 1HH1 ARG 84 10.830 -3.179 12.062 634 HH21 ARG 84 2HH2 ARG 84 11.740 -0.209 13.668 635 HH22 ARG 84 1HH2 ARG 84 11.320 -1.875 13.881 636 H SER 85 H SER 85 13.587 3.222 7.956 637 HA SER 85 HA SER 85 15.580 1.384 6.801 638 HB2 SER 85 1HB SER 85 15.661 3.740 5.877 639 HB3 SER 85 2HB SER 85 16.105 4.279 7.496 640 HG SER 85 HG SER 85 18.062 3.776 6.955 641 H GLU 86 H GLU 86 17.713 1.557 8.129 642 HA GLU 86 HA GLU 86 17.542 0.330 10.489 643 HB2 GLU 86 1HB GLU 86 19.646 1.094 9.255 644 HB3 GLU 86 2HB GLU 86 19.507 2.591 10.166 645 HG2 GLU 86 1HG GLU 86 19.667 1.338 12.256 646 HG3 GLU 86 2HG GLU 86 19.809 -0.163 11.342 647 H ALA 87 H ALA 87 17.405 3.860 10.131 648 HA ALA 87 HA ALA 87 17.181 4.526 12.830 649 HB1 ALA 87 1HB ALA 87 17.240 6.554 11.938 650 HB2 ALA 87 2HB ALA 87 16.971 5.869 10.336 651 HB3 ALA 87 3HB ALA 87 15.597 6.340 11.336 652 H GLY 88 H GLY 88 14.474 4.515 10.498 653 HA2 GLY 88 1HA GLY 88 12.762 2.889 12.008 654 HA3 GLY 88 2HA GLY 88 12.468 4.558 12.473 655 H TYR 89 H TYR 89 10.308 3.663 11.554 656 HA TYR 89 HA TYR 89 10.012 3.445 8.746 657 HB2 TYR 89 1HB TYR 89 8.098 3.879 11.022 658 HB3 TYR 89 2HB TYR 89 7.539 3.951 9.355 659 HD1 TYR 89 1HD TYR 89 8.839 1.778 12.002 660 HD2 TYR 89 2HD TYR 89 7.458 1.951 7.981 661 HE1 TYR 89 1HE TYR 89 8.631 -0.672 11.974 662 HE2 TYR 89 2HE TYR 89 7.245 -0.499 7.943 663 HH TYR 89 HH TYR 89 8.683 -2.500 9.922 664 H GLY 90 H GLY 90 9.818 4.951 7.210 665 HA2 GLY 90 1HA GLY 90 10.136 7.729 7.922 666 HA3 GLY 90 2HA GLY 90 10.068 7.068 6.295 667 HA PRO 91 HA PRO 91 6.082 9.322 7.436 668 HB2 PRO 91 1HB PRO 91 6.306 11.319 5.610 669 HB3 PRO 91 2HB PRO 91 6.958 11.438 7.248 670 HG2 PRO 91 1HG PRO 91 8.367 10.770 4.693 671 HG3 PRO 91 2HG PRO 91 8.889 11.832 6.014 672 HD2 PRO 91 1HD PRO 91 9.808 9.301 5.729 673 HD3 PRO 91 2HD PRO 91 9.603 10.069 7.316 674 H PHE 92 H PHE 92 4.200 9.505 6.085 675 HA PHE 92 HA PHE 92 4.169 7.548 3.975 676 HB2 PHE 92 1HB PHE 92 2.114 9.163 5.423 677 HB3 PHE 92 2HB PHE 92 1.686 8.455 3.868 678 HD1 PHE 92 1HD PHE 92 2.380 5.895 3.641 679 HD2 PHE 92 2HD PHE 92 1.671 7.940 7.306 680 HE1 PHE 92 1HE PHE 92 1.915 3.746 4.746 681 HE2 PHE 92 2HE PHE 92 1.206 5.794 8.417 682 HZ PHE 92 HZ PHE 92 1.328 3.694 7.137 683 H GLY 93 H GLY 93 3.748 7.878 1.804 684 HA2 GLY 93 1HA GLY 93 4.280 10.613 0.867 685 HA3 GLY 93 2HA GLY 93 4.530 9.145 -0.066 686 H GLN 94 H GLN 94 3.357 10.283 -1.757 687 HA GLN 94 HA GLN 94 0.746 11.199 -1.574 688 HB2 GLN 94 1HB GLN 94 2.092 11.607 -3.543 689 HB3 GLN 94 2HB GLN 94 2.158 9.886 -3.900 690 HG2 GLN 94 1HG GLN 94 -0.215 9.854 -4.353 691 HG3 GLN 94 2HG GLN 94 -0.349 11.552 -3.899 692 HE21 GLN 94 1HE2 GLN 94 -0.825 12.594 -5.708 693 HE22 GLN 94 2HE2 GLN 94 0.041 12.473 -7.197 694 H GLU 95 H GLU 95 -1.211 10.271 -1.459 695 HA GLU 95 HA GLU 95 -1.580 7.667 -0.621 696 HB2 GLU 95 1HB GLU 95 -3.908 8.010 -0.898 697 HB3 GLU 95 2HB GLU 95 -3.231 9.583 -0.504 698 HG2 GLU 95 1HG GLU 95 -3.510 8.877 -3.369 699 HG3 GLU 95 2HG GLU 95 -4.974 9.249 -2.459 700 H HIS 96 H HIS 96 -2.959 5.995 -1.786 701 HA HIS 96 HA HIS 96 -2.078 5.738 -4.586 702 HB2 HIS 96 1HB HIS 96 -0.907 4.238 -2.857 703 HB3 HIS 96 2HB HIS 96 -2.443 3.383 -2.743 704 HD1 HIS 96 1HD HIS 96 -1.385 1.236 -3.727 705 HD2 HIS 96 2HD HIS 96 -1.248 4.522 -6.266 706 HE1 HIS 96 1HE HIS 96 -0.765 0.317 -5.984 707 HE2 HIS 96 2HE HIS 96 -0.605 2.333 -7.485 708 H HIS 97 H HIS 97 -3.579 5.126 -6.052 709 HA HIS 97 HA HIS 97 -6.287 4.574 -5.031 710 HB2 HIS 97 1HB HIS 97 -5.753 5.629 -7.789 711 HB3 HIS 97 2HB HIS 97 -7.211 5.770 -6.812 712 HD1 HIS 97 1HD HIS 97 -4.631 7.804 -8.031 713 HD2 HIS 97 2HD HIS 97 -6.461 7.430 -4.320 714 HE1 HIS 97 1HE HIS 97 -4.158 9.961 -6.828 715 HE2 HIS 97 2HE HIS 97 -5.202 9.677 -4.553 716 H SER 98 H SER 98 -6.578 2.432 -5.112 717 HA SER 98 HA SER 98 -5.466 0.869 -7.297 718 HB2 SER 98 1HB SER 98 -6.778 0.221 -4.681 719 HB3 SER 98 2HB SER 98 -6.704 -1.011 -5.941 720 HG SER 98 HG SER 98 -4.795 -1.343 -5.103 721 H GLN 99 H GLN 99 -7.192 2.533 -8.426 722 HA GLN 99 HA GLN 99 -9.886 1.912 -8.519 723 HB2 GLN 99 1HB GLN 99 -9.855 2.872 -10.811 724 HB3 GLN 99 2HB GLN 99 -9.025 3.874 -9.627 725 HG2 GLN 99 1HG GLN 99 -6.887 2.721 -10.425 726 HG3 GLN 99 2HG GLN 99 -7.851 2.179 -11.798 727 HE21 GLN 99 1HE2 GLN 99 -9.323 4.191 -12.551 728 HE22 GLN 99 2HE2 GLN 99 -8.389 5.592 -12.934 729 H THR 100 H THR 100 -10.508 -0.182 -8.569 730 HA THR 100 HA THR 100 -9.278 -2.228 -10.053 731 HB THR 100 HB THR 100 -11.350 -3.526 -9.654 732 HG1 THR 100 1HG THR 100 -12.902 -2.309 -8.221 733 HG21 THR 100 1HG2 THR 100 -10.700 -3.937 -7.546 734 HG22 THR 100 2HG2 THR 100 -11.043 -2.287 -7.025 735 HG23 THR 100 3HG2 THR 100 -9.508 -2.665 -7.806 736 H GLN 101 H GLN 101 -12.594 -1.083 -10.643 737 HA GLN 101 HA GLN 101 -12.032 -1.225 -13.531 738 HB2 GLN 101 1HB GLN 101 -13.514 -3.064 -12.554 739 HB3 GLN 101 2HB GLN 101 -14.718 -1.808 -12.299 740 HG2 GLN 101 1HG GLN 101 -15.378 -2.633 -14.321 741 HG3 GLN 101 2HG GLN 101 -14.318 -1.320 -14.832 742 HE21 GLN 101 1HE2 GLN 101 -15.140 -4.309 -15.599 743 HE22 GLN 101 2HE2 GLN 101 -13.647 -4.917 -16.220 744 H LEU 102 H LEU 102 -11.707 1.119 -12.043 745 HA LEU 102 HA LEU 102 -14.060 2.723 -12.778 746 HB2 LEU 102 1HB LEU 102 -11.901 3.085 -10.735 747 HB3 LEU 102 2HB LEU 102 -12.842 4.461 -11.306 748 HG LEU 102 HG LEU 102 -14.232 2.050 -10.207 749 HD11 LEU 102 1HD1 LEU 102 -13.107 2.320 -8.286 750 HD12 LEU 102 2HD1 LEU 102 -14.149 3.727 -8.078 751 HD13 LEU 102 3HD1 LEU 102 -12.522 3.924 -8.732 752 HD21 LEU 102 1HD2 LEU 102 -15.116 4.809 -9.669 753 HD22 LEU 102 2HD2 LEU 102 -16.048 3.385 -10.132 754 HD23 LEU 102 3HD2 LEU 102 -15.168 4.300 -11.357 755 H ASP 103 H ASP 103 -12.616 2.062 -14.919 756 HA ASP 103 HA ASP 103 -10.534 3.970 -15.472 757 HB2 ASP 103 1HB ASP 103 -11.907 1.810 -17.031 758 HB3 ASP 103 2HB ASP 103 -10.937 3.012 -17.879 759 H SER 104 H SER 104 -10.645 5.815 -16.667 760 HA SER 104 HA SER 104 -13.106 6.545 -18.021 761 HB2 SER 104 1HB SER 104 -13.408 7.246 -15.625 762 HB3 SER 104 2HB SER 104 -12.024 8.321 -15.823 763 HG SER 104 HG SER 104 -14.209 8.444 -17.597 764 H GLY 105 H GLY 105 -12.883 8.498 -19.316 765 HA2 GLY 105 1HA GLY 105 -10.571 8.585 -20.829 766 HA3 GLY 105 2HA GLY 105 -11.744 9.891 -20.744 767 HA PRO 106 HA PRO 106 -7.597 10.758 -18.419 768 HB2 PRO 106 1HB PRO 106 -5.966 11.575 -20.429 769 HB3 PRO 106 2HB PRO 106 -6.029 9.902 -19.863 770 HG2 PRO 106 1HG PRO 106 -7.350 11.147 -22.243 771 HG3 PRO 106 2HG PRO 106 -6.517 9.586 -22.115 772 HD2 PRO 106 1HD PRO 106 -9.215 9.807 -22.062 773 HD3 PRO 106 2HD PRO 106 -8.342 8.549 -21.163 774 H SER 107 H SER 107 -8.886 12.487 -17.664 775 HA SER 107 HA SER 107 -9.371 14.787 -19.327 776 HB2 SER 107 1HB SER 107 -10.911 14.015 -17.482 777 HB3 SER 107 2HB SER 107 -9.702 14.579 -16.328 778 HG SER 107 HG SER 107 -11.465 16.084 -16.945 779 H SER 108 H SER 108 -8.730 16.994 -18.536 780 HA SER 108 HA SER 108 -5.885 17.108 -18.318 781 HB2 SER 108 1HB SER 108 -6.226 19.569 -18.292 782 HB3 SER 108 2HB SER 108 -7.079 18.783 -19.621 783 HG SER 108 HG SER 108 -8.269 20.400 -18.302 784 H GLY 109 H GLY 109 -4.714 18.318 -16.663 785 HA2 GLY 109 1HA GLY 109 -4.998 17.355 -14.120 786 HA3 GLY 109 2HA GLY 109 -4.199 18.876 -14.489 Start of MODEL 19 1 H1 GLY 1 H GLY 1 22.211 11.284 24.153 2 HA2 GLY 1 1HA GLY 1 19.961 10.730 23.646 3 HA3 GLY 1 2HA GLY 1 20.150 12.350 22.993 4 H SER 2 H SER 2 18.233 10.670 21.985 5 HA SER 2 HA SER 2 19.340 9.628 19.477 6 HB2 SER 2 1HB SER 2 16.543 9.287 20.582 7 HB3 SER 2 2HB SER 2 17.251 8.428 19.214 8 HG SER 2 HG SER 2 17.226 7.494 21.532 9 H SER 3 H SER 3 19.280 12.401 19.732 10 HA SER 3 HA SER 3 16.955 13.597 18.665 11 HB2 SER 3 1HB SER 3 19.798 14.609 18.431 12 HB3 SER 3 2HB SER 3 18.320 15.566 18.328 13 HG SER 3 HG SER 3 17.915 15.046 20.509 14 H GLY 4 H GLY 4 16.113 13.147 16.741 15 HA2 GLY 4 1HA GLY 4 16.692 13.737 14.313 16 HA3 GLY 4 2HA GLY 4 17.939 12.515 14.516 17 H SER 5 H SER 5 14.540 12.583 15.557 18 HA SER 5 HA SER 5 14.135 9.876 14.756 19 HB2 SER 5 1HB SER 5 12.912 10.865 16.648 20 HB3 SER 5 2HB SER 5 12.110 11.986 15.547 21 HG SER 5 HG SER 5 10.733 10.473 15.109 22 H SER 6 H SER 6 14.310 9.487 12.616 23 HA SER 6 HA SER 6 12.203 10.418 10.898 24 HB2 SER 6 1HB SER 6 14.974 11.491 10.651 25 HB3 SER 6 2HB SER 6 14.107 11.106 9.164 26 HG SER 6 HG SER 6 12.760 12.574 11.118 27 H GLY 7 H GLY 7 12.558 9.512 8.602 28 HA2 GLY 7 1HA GLY 7 14.073 6.990 8.697 29 HA3 GLY 7 2HA GLY 7 12.365 6.958 8.283 30 HA PRO 8 HA PRO 8 14.687 7.232 4.316 31 HB2 PRO 8 1HB PRO 8 13.046 5.526 2.988 32 HB3 PRO 8 2HB PRO 8 14.410 4.978 3.970 33 HG2 PRO 8 1HG PRO 8 11.500 5.097 4.666 34 HG3 PRO 8 2HG PRO 8 12.678 3.812 4.994 35 HD2 PRO 8 1HD PRO 8 11.923 5.611 6.871 36 HD3 PRO 8 2HD PRO 8 13.553 4.908 6.823 37 HA PRO 9 HA PRO 9 12.052 10.060 2.220 38 HB2 PRO 9 1HB PRO 9 12.451 9.457 -0.397 39 HB3 PRO 9 2HB PRO 9 13.672 10.253 0.603 40 HG2 PRO 9 1HG PRO 9 13.438 7.369 -0.163 41 HG3 PRO 9 2HG PRO 9 14.880 8.399 -0.113 42 HD2 PRO 9 1HD PRO 9 14.279 6.639 1.854 43 HD3 PRO 9 2HD PRO 9 15.118 8.171 2.168 44 H ALA 10 H ALA 10 9.974 10.275 1.536 45 HA ALA 10 HA ALA 10 8.144 8.240 1.743 46 HB1 ALA 10 1HB ALA 10 6.776 9.807 0.103 47 HB2 ALA 10 2HB ALA 10 7.119 10.275 1.769 48 HB3 ALA 10 3HB ALA 10 8.104 10.914 0.453 49 H VAL 11 H VAL 11 7.543 6.565 0.529 50 HA VAL 11 HA VAL 11 8.931 5.752 -1.746 51 HB VAL 11 HB VAL 11 6.110 4.898 -1.114 52 HG11 VAL 11 1HG1 VAL 11 8.368 3.230 -2.181 53 HG12 VAL 11 2HG1 VAL 11 6.634 2.900 -2.226 54 HG13 VAL 11 3HG1 VAL 11 7.319 4.170 -3.242 55 HG21 VAL 11 1HG2 VAL 11 8.686 4.187 0.250 56 HG22 VAL 11 2HG2 VAL 11 7.153 4.680 0.969 57 HG23 VAL 11 3HG2 VAL 11 7.311 3.082 0.241 58 H SER 12 H SER 12 8.841 6.351 -3.804 59 HA SER 12 HA SER 12 6.466 7.832 -4.727 60 HB2 SER 12 1HB SER 12 7.842 9.141 -6.134 61 HB3 SER 12 2HB SER 12 8.730 9.039 -4.613 62 HG SER 12 HG SER 12 9.180 7.525 -6.970 63 H ASP 13 H ASP 13 6.461 7.777 -7.292 64 HA ASP 13 HA ASP 13 5.767 6.476 -9.041 65 HB2 ASP 13 1HB ASP 13 8.388 6.461 -9.020 66 HB3 ASP 13 2HB ASP 13 8.185 4.764 -8.591 67 H ILE 14 H ILE 14 4.295 5.724 -6.993 68 HA ILE 14 HA ILE 14 4.554 2.882 -6.486 69 HB ILE 14 HB ILE 14 2.441 4.860 -5.623 70 HG12 ILE 14 1HG1 ILE 14 4.478 3.488 -3.882 71 HG13 ILE 14 2HG1 ILE 14 4.853 4.994 -4.712 72 HG21 ILE 14 1HG2 ILE 14 2.830 2.050 -4.616 73 HG22 ILE 14 2HG2 ILE 14 1.522 3.167 -4.229 74 HG23 ILE 14 3HG2 ILE 14 1.650 2.488 -5.851 75 HD11 ILE 14 1HD1 ILE 14 4.169 5.445 -2.452 76 HD12 ILE 14 2HD1 ILE 14 2.950 6.057 -3.570 77 HD13 ILE 14 3HD1 ILE 14 2.667 4.554 -2.693 78 H ARG 15 H ARG 15 4.248 1.947 -8.518 79 HA ARG 15 HA ARG 15 1.844 2.493 -10.024 80 HB2 ARG 15 1HB ARG 15 4.240 1.779 -10.869 81 HB3 ARG 15 2HB ARG 15 3.615 0.157 -10.601 82 HG2 ARG 15 1HG ARG 15 2.073 0.320 -12.287 83 HG3 ARG 15 2HG ARG 15 1.986 2.080 -12.184 84 HD2 ARG 15 1HD ARG 15 4.139 2.299 -13.232 85 HD3 ARG 15 2HD ARG 15 4.380 0.553 -13.193 86 HE ARG 15 HE ARG 15 2.129 0.788 -14.641 87 HH11 ARG 15 2HH1 ARG 15 5.223 2.371 -14.846 88 HH12 ARG 15 1HH1 ARG 15 5.139 2.598 -16.561 89 HH21 ARG 15 2HH2 ARG 15 2.007 1.081 -16.900 90 HH22 ARG 15 1HH2 ARG 15 3.310 1.864 -17.728 91 H VAL 16 H VAL 16 0.443 0.656 -10.739 92 HA VAL 16 HA VAL 16 0.061 -1.307 -8.575 93 HB VAL 16 HB VAL 16 -2.042 0.313 -10.005 94 HG11 VAL 16 1HG1 VAL 16 -3.547 -1.129 -8.393 95 HG12 VAL 16 2HG1 VAL 16 -3.122 -1.706 -10.006 96 HG13 VAL 16 3HG1 VAL 16 -2.244 -2.301 -8.596 97 HG21 VAL 16 1HG2 VAL 16 -1.593 1.591 -8.199 98 HG22 VAL 16 2HG2 VAL 16 -2.638 0.430 -7.381 99 HG23 VAL 16 3HG2 VAL 16 -0.885 0.254 -7.293 100 H THR 17 H THR 17 1.014 -2.994 -9.684 101 HA THR 17 HA THR 17 0.205 -3.636 -12.383 102 HB THR 17 HB THR 17 1.707 -5.558 -12.185 103 HG1 THR 17 1HG THR 17 2.703 -6.037 -10.255 104 HG21 THR 17 1HG2 THR 17 2.599 -3.273 -12.693 105 HG22 THR 17 2HG2 THR 17 3.777 -4.368 -11.971 106 HG23 THR 17 3HG2 THR 17 3.017 -3.118 -10.988 107 H ARG 18 H ARG 18 -0.469 -5.930 -12.878 108 HA ARG 18 HA ARG 18 -2.266 -7.356 -12.836 109 HB2 ARG 18 1HB ARG 18 -0.403 -8.256 -11.223 110 HB3 ARG 18 2HB ARG 18 -1.584 -7.893 -9.971 111 HG2 ARG 18 1HG ARG 18 -1.942 -10.138 -10.465 112 HG3 ARG 18 2HG ARG 18 -3.212 -9.296 -11.356 113 HD2 ARG 18 1HD ARG 18 -2.411 -10.779 -12.936 114 HD3 ARG 18 2HD ARG 18 -1.499 -9.316 -13.306 115 HE ARG 18 HE ARG 18 0.088 -10.674 -11.555 116 HH11 ARG 18 2HH1 ARG 18 -1.420 -11.436 -14.599 117 HH12 ARG 18 1HH1 ARG 18 -0.184 -12.551 -15.081 118 HH21 ARG 18 2HH2 ARG 18 1.722 -12.139 -12.178 119 HH22 ARG 18 1HH2 ARG 18 1.602 -12.950 -13.703 120 H SER 19 H SER 19 -3.359 -4.982 -12.610 121 HA SER 19 HA SER 19 -4.807 -4.512 -10.207 122 HB2 SER 19 1HB SER 19 -6.065 -2.858 -11.555 123 HB3 SER 19 2HB SER 19 -4.321 -2.688 -11.755 124 HG SER 19 HG SER 19 -4.931 -2.725 -13.798 125 H SER 20 H SER 20 -5.896 -6.404 -9.667 126 HA SER 20 HA SER 20 -7.932 -7.370 -11.542 127 HB2 SER 20 1HB SER 20 -6.582 -8.556 -9.140 128 HB3 SER 20 2HB SER 20 -8.146 -9.182 -9.660 129 HG SER 20 HG SER 20 -6.891 -9.135 -11.846 130 HA PRO 21 HA PRO 21 -11.317 -5.648 -9.348 131 HB2 PRO 21 1HB PRO 21 -13.181 -7.611 -9.561 132 HB3 PRO 21 2HB PRO 21 -12.688 -6.602 -10.926 133 HG2 PRO 21 1HG PRO 21 -11.811 -9.371 -10.204 134 HG3 PRO 21 2HG PRO 21 -12.231 -8.710 -11.794 135 HD2 PRO 21 1HD PRO 21 -9.669 -9.027 -10.980 136 HD3 PRO 21 2HD PRO 21 -10.170 -7.715 -12.065 137 H SER 22 H SER 22 -10.767 -9.067 -8.506 138 HA SER 22 HA SER 22 -11.926 -8.741 -5.891 139 HB2 SER 22 1HB SER 22 -10.480 -11.026 -7.236 140 HB3 SER 22 2HB SER 22 -11.050 -11.109 -5.569 141 HG SER 22 HG SER 22 -12.614 -11.958 -6.948 142 H SER 23 H SER 23 -8.658 -9.223 -7.189 143 HA SER 23 HA SER 23 -7.583 -8.413 -4.567 144 HB2 SER 23 1HB SER 23 -5.532 -9.635 -5.175 145 HB3 SER 23 2HB SER 23 -6.939 -10.698 -5.197 146 HG SER 23 HG SER 23 -5.988 -11.141 -7.081 147 H LEU 24 H LEU 24 -5.637 -7.112 -4.587 148 HA LEU 24 HA LEU 24 -5.154 -5.631 -7.069 149 HB2 LEU 24 1HB LEU 24 -5.747 -4.394 -4.386 150 HB3 LEU 24 2HB LEU 24 -5.125 -3.510 -5.778 151 HG LEU 24 HG LEU 24 -7.743 -4.985 -5.864 152 HD11 LEU 24 1HD1 LEU 24 -8.883 -2.963 -5.286 153 HD12 LEU 24 2HD1 LEU 24 -7.362 -2.076 -5.180 154 HD13 LEU 24 3HD1 LEU 24 -7.732 -3.334 -4.001 155 HD21 LEU 24 1HD2 LEU 24 -8.180 -3.301 -7.651 156 HD22 LEU 24 2HD2 LEU 24 -6.870 -4.423 -8.018 157 HD23 LEU 24 3HD2 LEU 24 -6.503 -2.778 -7.498 158 H SER 25 H SER 25 -3.075 -5.990 -7.475 159 HA SER 25 HA SER 25 -1.174 -6.486 -5.369 160 HB2 SER 25 1HB SER 25 -1.240 -7.518 -7.760 161 HB3 SER 25 2HB SER 25 -0.417 -6.035 -8.242 162 HG SER 25 HG SER 25 0.469 -7.814 -6.214 163 H LEU 26 H LEU 26 0.908 -5.307 -5.273 164 HA LEU 26 HA LEU 26 0.816 -2.531 -6.152 165 HB2 LEU 26 1HB LEU 26 1.276 -3.235 -3.261 166 HB3 LEU 26 2HB LEU 26 1.207 -1.622 -3.969 167 HG LEU 26 HG LEU 26 -1.200 -3.375 -4.147 168 HD11 LEU 26 1HD1 LEU 26 -1.927 -2.376 -1.946 169 HD12 LEU 26 2HD1 LEU 26 -0.234 -1.963 -1.674 170 HD13 LEU 26 3HD1 LEU 26 -0.712 -3.651 -1.852 171 HD21 LEU 26 1HD2 LEU 26 -1.759 -1.453 -5.179 172 HD22 LEU 26 2HD2 LEU 26 -0.506 -0.522 -4.358 173 HD23 LEU 26 3HD2 LEU 26 -2.023 -0.878 -3.532 174 H ALA 27 H ALA 27 2.834 -1.544 -6.291 175 HA ALA 27 HA ALA 27 5.208 -2.785 -5.281 176 HB1 ALA 27 1HB ALA 27 5.521 -4.222 -6.959 177 HB2 ALA 27 2HB ALA 27 4.291 -3.453 -7.963 178 HB3 ALA 27 3HB ALA 27 5.932 -2.808 -7.930 179 H TRP 28 H TRP 28 6.621 -1.214 -4.890 180 HA TRP 28 HA TRP 28 6.372 1.293 -6.416 181 HB2 TRP 28 1HB TRP 28 7.702 2.116 -4.251 182 HB3 TRP 28 2HB TRP 28 5.944 2.025 -4.294 183 HD1 TRP 28 HD TRP 28 8.709 1.080 -2.151 184 HE1 TRP 28 1HE TRP 28 8.032 -0.762 -0.486 185 HE3 TRP 28 3HE TRP 28 4.343 -0.430 -4.341 186 HZ2 TRP 28 2HZ TRP 28 5.927 -2.611 -0.146 187 HZ3 TRP 28 3HZ TRP 28 3.058 -2.241 -3.282 188 HH2 TRP 28 HH TRP 28 3.835 -3.309 -1.229 189 H ALA 29 H ALA 29 8.469 2.589 -6.435 190 HA ALA 29 HA ALA 29 10.571 0.835 -7.421 191 HB1 ALA 29 1HB ALA 29 10.883 2.456 -8.899 192 HB2 ALA 29 2HB ALA 29 9.622 3.408 -8.114 193 HB3 ALA 29 3HB ALA 29 11.301 3.579 -7.604 194 H VAL 30 H VAL 30 12.413 0.408 -6.379 195 HA VAL 30 HA VAL 30 12.822 0.893 -3.700 196 HB VAL 30 HB VAL 30 14.967 0.472 -5.787 197 HG11 VAL 30 1HG1 VAL 30 15.016 0.028 -2.804 198 HG12 VAL 30 2HG1 VAL 30 16.303 -0.408 -3.930 199 HG13 VAL 30 3HG1 VAL 30 15.882 1.287 -3.683 200 HG21 VAL 30 1HG2 VAL 30 12.959 -1.204 -5.434 201 HG22 VAL 30 2HG2 VAL 30 14.607 -1.786 -5.671 202 HG23 VAL 30 3HG2 VAL 30 13.926 -1.705 -4.047 203 HA PRO 31 HA PRO 31 13.740 5.296 -3.979 204 HB2 PRO 31 1HB PRO 31 13.559 5.727 -1.305 205 HB3 PRO 31 2HB PRO 31 12.144 5.613 -2.358 206 HG2 PRO 31 1HG PRO 31 13.352 3.533 -0.576 207 HG3 PRO 31 2HG PRO 31 11.643 3.939 -0.823 208 HD2 PRO 31 1HD PRO 31 12.823 1.816 -2.019 209 HD3 PRO 31 2HD PRO 31 11.510 2.734 -2.783 210 H ARG 32 H ARG 32 15.271 6.693 -2.541 211 HA ARG 32 HA ARG 32 17.716 5.132 -2.014 212 HB2 ARG 32 1HB ARG 32 18.998 7.116 -2.746 213 HB3 ARG 32 2HB ARG 32 17.995 6.451 -4.028 214 HG2 ARG 32 1HG ARG 32 16.276 8.216 -3.361 215 HG3 ARG 32 2HG ARG 32 17.590 8.967 -2.452 216 HD2 ARG 32 1HD ARG 32 17.662 10.051 -4.511 217 HD3 ARG 32 2HD ARG 32 18.915 8.818 -4.650 218 HE ARG 32 HE ARG 32 16.693 7.617 -5.660 219 HH11 ARG 32 2HH1 ARG 32 18.381 10.587 -6.333 220 HH12 ARG 32 1HH1 ARG 32 17.941 10.609 -8.009 221 HH21 ARG 32 2HH2 ARG 32 16.107 7.636 -7.865 222 HH22 ARG 32 1HH2 ARG 32 16.647 8.930 -8.879 223 H ALA 33 H ALA 33 17.833 5.000 0.147 224 HA ALA 33 HA ALA 33 17.104 7.283 1.803 225 HB1 ALA 33 1HB ALA 33 17.008 4.493 2.140 226 HB2 ALA 33 2HB ALA 33 18.174 5.102 3.315 227 HB3 ALA 33 3HB ALA 33 16.530 5.741 3.291 228 HA PRO 34 HA PRO 34 21.208 8.747 2.391 229 HB2 PRO 34 1HB PRO 34 20.956 9.864 4.852 230 HB3 PRO 34 2HB PRO 34 20.258 10.582 3.396 231 HG2 PRO 34 1HG PRO 34 18.942 8.911 5.502 232 HG3 PRO 34 2HG PRO 34 18.346 10.379 4.704 233 HD2 PRO 34 1HD PRO 34 17.530 7.898 3.988 234 HD3 PRO 34 2HD PRO 34 17.665 9.231 2.824 235 H SER 35 H SER 35 19.751 6.533 4.637 236 HA SER 35 HA SER 35 22.422 5.827 5.666 237 HB2 SER 35 1HB SER 35 19.704 5.712 6.961 238 HB3 SER 35 2HB SER 35 21.054 4.753 7.569 239 HG SER 35 HG SER 35 21.502 6.517 8.627 240 H GLY 36 H GLY 36 23.205 3.932 5.036 241 HA2 GLY 36 1HA GLY 36 23.268 1.946 3.832 242 HA3 GLY 36 2HA GLY 36 22.157 1.464 5.105 243 H ALA 37 H ALA 37 20.749 0.188 4.042 244 HA ALA 37 HA ALA 37 19.231 1.434 1.849 245 HB1 ALA 37 1HB ALA 37 20.141 -1.439 1.972 246 HB2 ALA 37 2HB ALA 37 19.071 -0.755 0.747 247 HB3 ALA 37 3HB ALA 37 20.739 -0.196 0.872 248 H VAL 38 H VAL 38 17.035 0.919 1.737 249 HA VAL 38 HA VAL 38 15.622 0.682 4.075 250 HB VAL 38 HB VAL 38 14.745 -0.210 1.325 251 HG11 VAL 38 1HG1 VAL 38 13.402 -1.104 3.273 252 HG12 VAL 38 2HG1 VAL 38 12.966 0.570 3.622 253 HG13 VAL 38 3HG1 VAL 38 12.507 -0.160 2.083 254 HG21 VAL 38 1HG2 VAL 38 14.526 2.412 2.791 255 HG22 VAL 38 2HG2 VAL 38 15.369 2.090 1.276 256 HG23 VAL 38 3HG2 VAL 38 13.608 2.028 1.334 257 H LEU 39 H LEU 39 14.671 -0.958 5.236 258 HA LEU 39 HA LEU 39 15.790 -3.624 4.779 259 HB2 LEU 39 1HB LEU 39 14.283 -2.605 7.179 260 HB3 LEU 39 2HB LEU 39 15.200 -4.105 7.060 261 HG LEU 39 HG LEU 39 16.445 -1.366 6.875 262 HD11 LEU 39 1HD1 LEU 39 17.200 -1.772 9.190 263 HD12 LEU 39 2HD1 LEU 39 16.157 -3.192 9.256 264 HD13 LEU 39 3HD1 LEU 39 15.451 -1.589 9.060 265 HD21 LEU 39 1HD2 LEU 39 17.623 -4.106 7.325 266 HD22 LEU 39 2HD2 LEU 39 18.517 -2.586 7.303 267 HD23 LEU 39 3HD2 LEU 39 17.726 -3.166 5.836 268 H ASP 40 H ASP 40 12.672 -2.358 5.970 269 HA ASP 40 HA ASP 40 11.316 -4.323 4.251 270 HB2 ASP 40 1HB ASP 40 10.325 -3.634 7.012 271 HB3 ASP 40 2HB ASP 40 9.828 -4.968 5.974 272 H TYR 41 H TYR 41 8.753 -3.750 4.586 273 HA TYR 41 HA TYR 41 8.404 -0.855 4.372 274 HB2 TYR 41 1HB TYR 41 7.373 -2.752 2.258 275 HB3 TYR 41 2HB TYR 41 7.239 -0.997 2.264 276 HD1 TYR 41 1HD TYR 41 9.729 -3.759 2.142 277 HD2 TYR 41 2HD TYR 41 8.889 0.315 1.251 278 HE1 TYR 41 1HE TYR 41 11.845 -3.602 0.898 279 HE2 TYR 41 2HE TYR 41 11.001 0.484 0.004 280 HH TYR 41 HH TYR 41 12.828 -0.569 -0.676 281 H GLU 42 H GLU 42 5.997 -0.331 4.108 282 HA GLU 42 HA GLU 42 4.276 -2.314 5.400 283 HB2 GLU 42 1HB GLU 42 5.388 -0.608 7.043 284 HB3 GLU 42 2HB GLU 42 4.203 0.514 6.388 285 HG2 GLU 42 1HG GLU 42 2.395 -0.787 7.175 286 HG3 GLU 42 2HG GLU 42 3.449 -2.150 7.551 287 H VAL 43 H VAL 43 2.114 -2.148 4.885 288 HA VAL 43 HA VAL 43 1.378 -0.010 2.996 289 HB VAL 43 HB VAL 43 0.586 -2.920 2.821 290 HG11 VAL 43 1HG1 VAL 43 -0.698 -0.562 1.837 291 HG12 VAL 43 2HG1 VAL 43 -0.098 -1.514 0.478 292 HG13 VAL 43 3HG1 VAL 43 -1.183 -2.248 1.660 293 HG21 VAL 43 1HG2 VAL 43 2.935 -1.911 2.038 294 HG22 VAL 43 2HG2 VAL 43 2.109 -3.201 1.164 295 HG23 VAL 43 3HG2 VAL 43 1.975 -1.533 0.607 296 H LYS 44 H LYS 44 0.046 1.245 4.155 297 HA LYS 44 HA LYS 44 -2.013 -0.033 5.815 298 HB2 LYS 44 1HB LYS 44 -0.451 1.691 6.818 299 HB3 LYS 44 2HB LYS 44 -1.240 2.885 5.796 300 HG2 LYS 44 1HG LYS 44 -3.289 2.655 6.923 301 HG3 LYS 44 2HG LYS 44 -2.775 1.164 7.717 302 HD2 LYS 44 1HD LYS 44 -2.496 2.654 9.434 303 HD3 LYS 44 2HD LYS 44 -0.895 2.732 8.694 304 HE2 LYS 44 1HE LYS 44 -1.342 4.962 8.847 305 HE3 LYS 44 2HE LYS 44 -2.052 4.637 7.267 306 HZ1 LYS 44 1HZ LYS 44 -3.419 5.945 8.965 307 HZ2 LYS 44 2HZ LYS 44 -3.677 4.456 9.723 308 HZ3 LYS 44 3HZ LYS 44 -4.189 4.693 8.128 309 H TYR 45 H TYR 45 -3.931 -0.266 4.891 310 HA TYR 45 HA TYR 45 -4.914 1.880 3.132 311 HB2 TYR 45 1HB TYR 45 -6.086 0.081 1.813 312 HB3 TYR 45 2HB TYR 45 -4.333 0.089 1.658 313 HD1 TYR 45 2HD TYR 45 -3.025 -1.545 3.174 314 HD2 TYR 45 1HD TYR 45 -7.196 -1.880 2.404 315 HE1 TYR 45 2HE TYR 45 -2.951 -3.912 3.837 316 HE2 TYR 45 1HE TYR 45 -7.134 -4.248 3.067 317 HH TYR 45 HH TYR 45 -4.186 -5.722 4.341 318 H HIS 46 H HIS 46 -7.236 2.074 3.025 319 HA HIS 46 HA HIS 46 -8.915 0.605 4.812 320 HB2 HIS 46 1HB HIS 46 -9.263 2.111 6.523 321 HB3 HIS 46 2HB HIS 46 -7.551 2.378 6.207 322 HD1 HIS 46 1HD HIS 46 -7.150 4.454 4.391 323 HD2 HIS 46 2HD HIS 46 -10.687 4.403 6.569 324 HE1 HIS 46 1HE HIS 46 -8.039 6.804 4.284 325 HE2 HIS 46 2HE HIS 46 -10.136 6.768 5.679 326 H GLU 47 H GLU 47 -11.005 0.748 4.197 327 HA GLU 47 HA GLU 47 -11.697 1.880 1.750 328 HB2 GLU 47 1HB GLU 47 -12.888 0.042 3.108 329 HB3 GLU 47 2HB GLU 47 -13.710 1.364 3.925 330 HG2 GLU 47 1HG GLU 47 -14.452 2.160 1.660 331 HG3 GLU 47 2HG GLU 47 -13.826 0.645 1.011 332 H LYS 48 H LYS 48 -11.967 3.922 1.179 333 HA LYS 48 HA LYS 48 -11.717 6.172 2.597 334 HB2 LYS 48 1HB LYS 48 -12.128 6.031 0.133 335 HB3 LYS 48 2HB LYS 48 -13.845 5.861 0.472 336 HG2 LYS 48 1HG LYS 48 -13.729 8.099 0.061 337 HG3 LYS 48 2HG LYS 48 -13.473 8.092 1.807 338 HD2 LYS 48 1HD LYS 48 -11.187 8.489 1.597 339 HD3 LYS 48 2HD LYS 48 -11.151 7.946 -0.082 340 HE2 LYS 48 1HE LYS 48 -12.366 9.918 -0.781 341 HE3 LYS 48 2HE LYS 48 -12.539 10.440 0.894 342 HZ1 LYS 48 1HZ LYS 48 -10.166 10.483 -0.830 343 HZ2 LYS 48 2HZ LYS 48 -9.949 10.299 0.838 344 HZ3 LYS 48 3HZ LYS 48 -10.744 11.664 0.234 345 H GLY 49 H GLY 49 -14.711 4.299 2.361 346 HA2 GLY 49 1HA GLY 49 -16.352 6.096 3.793 347 HA3 GLY 49 2HA GLY 49 -16.656 4.378 3.578 348 H ALA 50 H ALA 50 -14.990 3.005 4.943 349 HA ALA 50 HA ALA 50 -15.659 3.092 7.561 350 HB1 ALA 50 1HB ALA 50 -14.376 1.276 6.474 351 HB2 ALA 50 2HB ALA 50 -12.928 2.279 6.575 352 HB3 ALA 50 3HB ALA 50 -13.729 1.735 8.050 353 H GLU 51 H GLU 51 -14.802 3.923 9.481 354 HA GLU 51 HA GLU 51 -12.623 5.828 9.372 355 HB2 GLU 51 1HB GLU 51 -15.477 6.631 9.831 356 HB3 GLU 51 2HB GLU 51 -14.173 7.525 10.600 357 HG2 GLU 51 1HG GLU 51 -13.186 7.726 8.243 358 HG3 GLU 51 2HG GLU 51 -14.784 7.237 7.685 359 H GLY 52 H GLY 52 -11.448 5.658 11.168 360 HA2 GLY 52 1HA GLY 52 -11.866 5.804 13.731 361 HA3 GLY 52 2HA GLY 52 -12.630 4.245 13.456 362 HA PRO 53 HA PRO 53 -7.998 3.823 14.296 363 HB2 PRO 53 1HB PRO 53 -8.207 2.540 16.679 364 HB3 PRO 53 2HB PRO 53 -8.117 4.300 16.540 365 HG2 PRO 53 1HG PRO 53 -10.516 2.549 16.918 366 HG3 PRO 53 2HG PRO 53 -10.117 4.087 17.707 367 HD2 PRO 53 1HD PRO 53 -11.866 3.917 15.647 368 HD3 PRO 53 2HD PRO 53 -10.838 5.339 15.911 369 H SER 54 H SER 54 -10.552 1.530 15.281 370 HA SER 54 HA SER 54 -8.960 -0.706 14.330 371 HB2 SER 54 1HB SER 54 -10.755 -2.104 15.255 372 HB3 SER 54 2HB SER 54 -10.207 -0.922 16.443 373 HG SER 54 HG SER 54 -12.607 -1.005 14.985 374 H SER 55 H SER 55 -9.695 1.088 12.306 375 HA SER 55 HA SER 55 -11.633 -0.520 10.772 376 HB2 SER 55 1HB SER 55 -11.181 2.452 10.856 377 HB3 SER 55 2HB SER 55 -11.900 1.693 9.436 378 HG SER 55 HG SER 55 -13.497 2.368 10.912 379 H VAL 56 H VAL 56 -8.631 1.320 10.688 380 HA VAL 56 HA VAL 56 -8.064 0.622 7.948 381 HB VAL 56 HB VAL 56 -7.238 2.738 8.756 382 HG11 VAL 56 1HG1 VAL 56 -6.966 2.511 11.054 383 HG12 VAL 56 2HG1 VAL 56 -5.969 1.064 10.893 384 HG13 VAL 56 3HG1 VAL 56 -5.309 2.643 10.465 385 HG21 VAL 56 1HG2 VAL 56 -4.990 0.774 8.316 386 HG22 VAL 56 2HG2 VAL 56 -5.893 1.629 7.066 387 HG23 VAL 56 3HG2 VAL 56 -4.856 2.527 8.173 388 H ARG 57 H ARG 57 -6.665 -0.911 7.199 389 HA ARG 57 HA ARG 57 -5.868 -2.963 9.124 390 HB2 ARG 57 1HB ARG 57 -6.303 -2.926 6.159 391 HB3 ARG 57 2HB ARG 57 -5.313 -4.187 6.880 392 HG2 ARG 57 1HG ARG 57 -8.059 -3.619 7.922 393 HG3 ARG 57 2HG ARG 57 -7.817 -4.632 6.497 394 HD2 ARG 57 1HD ARG 57 -6.246 -6.023 7.865 395 HD3 ARG 57 2HD ARG 57 -6.741 -5.086 9.274 396 HE ARG 57 HE ARG 57 -8.973 -6.197 7.891 397 HH11 ARG 57 2HH1 ARG 57 -6.424 -6.933 10.144 398 HH12 ARG 57 1HH1 ARG 57 -7.291 -8.226 10.903 399 HH21 ARG 57 2HH2 ARG 57 -10.126 -7.897 8.882 400 HH22 ARG 57 1HH2 ARG 57 -9.397 -8.774 10.185 401 H PHE 58 H PHE 58 -3.769 -4.181 8.248 402 HA PHE 58 HA PHE 58 -1.715 -2.278 7.437 403 HB2 PHE 58 1HB PHE 58 -1.856 -3.610 10.114 404 HB3 PHE 58 2HB PHE 58 -0.282 -3.311 9.384 405 HD1 PHE 58 2HD PHE 58 -3.395 -1.671 10.524 406 HD2 PHE 58 1HD PHE 58 0.688 -1.177 9.428 407 HE1 PHE 58 2HE PHE 58 -3.456 0.645 11.353 408 HE2 PHE 58 1HE PHE 58 0.634 1.140 10.256 409 HZ PHE 58 HZ PHE 58 -1.440 2.053 11.220 410 H LEU 59 H LEU 59 0.119 -3.231 6.532 411 HA LEU 59 HA LEU 59 0.345 -6.120 6.458 412 HB2 LEU 59 1HB LEU 59 -1.133 -5.952 4.659 413 HB3 LEU 59 2HB LEU 59 -0.400 -4.457 4.080 414 HG LEU 59 HG LEU 59 1.673 -6.047 3.671 415 HD11 LEU 59 1HD1 LEU 59 0.122 -8.147 2.695 416 HD12 LEU 59 2HD1 LEU 59 -0.453 -7.871 4.339 417 HD13 LEU 59 3HD1 LEU 59 1.255 -8.194 4.045 418 HD21 LEU 59 1HD2 LEU 59 -0.329 -6.518 1.599 419 HD22 LEU 59 2HD2 LEU 59 1.217 -5.674 1.514 420 HD23 LEU 59 3HD2 LEU 59 -0.217 -4.832 2.105 421 H LYS 60 H LYS 60 2.419 -6.467 6.852 422 HA LYS 60 HA LYS 60 4.404 -4.568 5.799 423 HB2 LYS 60 1HB LYS 60 4.510 -6.462 8.148 424 HB3 LYS 60 2HB LYS 60 5.916 -5.595 7.544 425 HG2 LYS 60 1HG LYS 60 5.181 -3.576 8.320 426 HG3 LYS 60 2HG LYS 60 3.479 -4.035 8.227 427 HD2 LYS 60 1HD LYS 60 5.219 -5.491 10.150 428 HD3 LYS 60 2HD LYS 60 4.750 -3.835 10.544 429 HE2 LYS 60 1HE LYS 60 2.361 -4.580 10.030 430 HE3 LYS 60 2HE LYS 60 2.988 -6.227 10.094 431 HZ1 LYS 60 1HZ LYS 60 2.917 -4.223 12.273 432 HZ2 LYS 60 2HZ LYS 60 3.861 -5.624 12.360 433 HZ3 LYS 60 3HZ LYS 60 2.179 -5.745 12.232 434 H THR 61 H THR 61 5.974 -5.234 4.442 435 HA THR 61 HA THR 61 6.416 -8.096 4.044 436 HB THR 61 HB THR 61 4.687 -7.353 2.386 437 HG1 THR 61 1HG THR 61 6.609 -8.956 2.060 438 HG21 THR 61 1HG2 THR 61 6.620 -6.051 0.640 439 HG22 THR 61 2HG2 THR 61 6.305 -5.131 2.112 440 HG23 THR 61 3HG2 THR 61 4.971 -5.580 1.049 441 H SER 62 H SER 62 8.493 -8.602 3.613 442 HA SER 62 HA SER 62 10.532 -6.738 4.034 443 HB2 SER 62 1HB SER 62 12.071 -8.498 3.424 444 HB3 SER 62 2HB SER 62 10.738 -9.218 4.326 445 HG SER 62 HG SER 62 11.363 -10.348 2.363 446 H GLU 63 H GLU 63 9.093 -7.954 1.057 447 HA GLU 63 HA GLU 63 10.974 -6.591 -0.641 448 HB2 GLU 63 1HB GLU 63 9.545 -7.347 -2.479 449 HB3 GLU 63 2HB GLU 63 9.915 -8.668 -1.379 450 HG2 GLU 63 1HG GLU 63 7.622 -7.893 -0.292 451 HG3 GLU 63 2HG GLU 63 7.338 -7.325 -1.937 452 H ASN 64 H ASN 64 9.988 -5.162 -2.448 453 HA ASN 64 HA ASN 64 8.564 -2.996 -1.101 454 HB2 ASN 64 1HB ASN 64 9.279 -1.612 -2.999 455 HB3 ASN 64 2HB ASN 64 10.651 -2.437 -2.267 456 HD21 ASN 64 1HD2 ASN 64 11.096 -1.508 -4.671 457 HD22 ASN 64 2HD2 ASN 64 11.085 -2.755 -5.867 458 H ARG 65 H ARG 65 7.196 -5.438 -1.986 459 HA ARG 65 HA ARG 65 5.035 -4.147 -3.415 460 HB2 ARG 65 1HB ARG 65 4.900 -5.920 -5.140 461 HB3 ARG 65 2HB ARG 65 6.355 -4.943 -5.278 462 HG2 ARG 65 1HG ARG 65 6.468 -7.482 -3.727 463 HG3 ARG 65 2HG ARG 65 6.455 -7.548 -5.491 464 HD2 ARG 65 1HD ARG 65 8.360 -5.876 -5.425 465 HD3 ARG 65 2HD ARG 65 8.455 -6.198 -3.694 466 HE ARG 65 HE ARG 65 9.406 -8.239 -4.151 467 HH11 ARG 65 2HH1 ARG 65 8.092 -6.881 -7.075 468 HH12 ARG 65 1HH1 ARG 65 8.822 -8.065 -8.108 469 HH21 ARG 65 2HH2 ARG 65 10.373 -9.803 -5.500 470 HH22 ARG 65 1HH2 ARG 65 10.119 -9.727 -7.211 471 H ALA 66 H ALA 66 3.057 -5.372 -3.363 472 HA ALA 66 HA ALA 66 2.998 -7.783 -1.745 473 HB1 ALA 66 1HB ALA 66 1.012 -6.372 -0.501 474 HB2 ALA 66 2HB ALA 66 2.627 -6.655 0.150 475 HB3 ALA 66 3HB ALA 66 2.271 -5.153 -0.704 476 H GLU 67 H GLU 67 0.718 -8.630 -1.554 477 HA GLU 67 HA GLU 67 -0.951 -7.795 -3.825 478 HB2 GLU 67 1HB GLU 67 0.409 -9.798 -4.429 479 HB3 GLU 67 2HB GLU 67 -0.354 -10.669 -3.106 480 HG2 GLU 67 1HG GLU 67 -2.524 -10.421 -4.162 481 HG3 GLU 67 2HG GLU 67 -1.796 -9.488 -5.469 482 H LEU 68 H LEU 68 -2.844 -7.178 -3.039 483 HA LEU 68 HA LEU 68 -3.810 -8.260 -0.515 484 HB2 LEU 68 1HB LEU 68 -5.004 -6.117 -2.266 485 HB3 LEU 68 2HB LEU 68 -5.485 -6.513 -0.617 486 HG LEU 68 HG LEU 68 -2.786 -5.408 -1.390 487 HD11 LEU 68 1HD1 LEU 68 -4.898 -3.868 0.056 488 HD12 LEU 68 2HD1 LEU 68 -4.901 -3.936 -1.706 489 HD13 LEU 68 3HD1 LEU 68 -3.504 -3.282 -0.851 490 HD21 LEU 68 1HD2 LEU 68 -2.182 -5.624 0.752 491 HD22 LEU 68 2HD2 LEU 68 -3.504 -6.786 0.864 492 HD23 LEU 68 3HD2 LEU 68 -3.760 -5.108 1.347 493 H ARG 69 H ARG 69 -5.169 -9.911 -0.429 494 HA ARG 69 HA ARG 69 -6.750 -10.563 -2.822 495 HB2 ARG 69 1HB ARG 69 -5.801 -12.293 -0.535 496 HB3 ARG 69 2HB ARG 69 -6.932 -12.842 -1.765 497 HG2 ARG 69 1HG ARG 69 -5.325 -12.801 -3.442 498 HG3 ARG 69 2HG ARG 69 -4.263 -11.728 -2.528 499 HD2 ARG 69 1HD ARG 69 -4.903 -14.580 -1.785 500 HD3 ARG 69 2HD ARG 69 -3.441 -14.058 -2.621 501 HE ARG 69 HE ARG 69 -3.497 -12.546 -0.353 502 HH11 ARG 69 2HH1 ARG 69 -3.594 -15.960 -1.032 503 HH12 ARG 69 1HH1 ARG 69 -2.808 -16.408 0.446 504 HH21 ARG 69 2HH2 ARG 69 -2.463 -13.125 1.596 505 HH22 ARG 69 1HH2 ARG 69 -2.166 -14.795 1.940 506 H GLY 70 H GLY 70 -8.945 -10.897 -2.689 507 HA2 GLY 70 1HA GLY 70 -11.063 -10.935 -1.757 508 HA3 GLY 70 2HA GLY 70 -10.322 -10.944 -0.164 509 H LEU 71 H LEU 71 -11.359 -8.910 -2.834 510 HA LEU 71 HA LEU 71 -11.878 -6.754 -0.958 511 HB2 LEU 71 1HB LEU 71 -10.211 -6.281 -3.422 512 HB3 LEU 71 2HB LEU 71 -10.699 -5.080 -2.228 513 HG LEU 71 HG LEU 71 -8.968 -7.407 -1.461 514 HD11 LEU 71 1HD1 LEU 71 -7.899 -6.301 -3.374 515 HD12 LEU 71 2HD1 LEU 71 -7.004 -6.051 -1.875 516 HD13 LEU 71 3HD1 LEU 71 -8.007 -4.756 -2.529 517 HD21 LEU 71 1HD2 LEU 71 -8.161 -5.530 0.129 518 HD22 LEU 71 2HD2 LEU 71 -9.709 -6.315 0.444 519 HD23 LEU 71 3HD2 LEU 71 -9.665 -4.727 -0.325 520 H LYS 72 H LYS 72 -12.951 -4.865 -2.174 521 HA LYS 72 HA LYS 72 -15.022 -6.020 -3.864 522 HB2 LYS 72 1HB LYS 72 -14.811 -3.238 -2.697 523 HB3 LYS 72 2HB LYS 72 -16.223 -3.926 -3.489 524 HG2 LYS 72 1HG LYS 72 -15.100 -5.346 -1.133 525 HG3 LYS 72 2HG LYS 72 -16.007 -3.855 -0.869 526 HD2 LYS 72 1HD LYS 72 -17.744 -4.993 -2.470 527 HD3 LYS 72 2HD LYS 72 -16.928 -6.475 -1.966 528 HE2 LYS 72 1HE LYS 72 -17.758 -4.530 0.127 529 HE3 LYS 72 2HE LYS 72 -19.003 -5.512 -0.642 530 HZ1 LYS 72 1HZ LYS 72 -16.559 -6.730 0.485 531 HZ2 LYS 72 2HZ LYS 72 -18.038 -7.470 0.131 532 HZ3 LYS 72 3HZ LYS 72 -17.912 -6.419 1.451 533 H ARG 73 H ARG 73 -15.371 -5.514 -5.969 534 HA ARG 73 HA ARG 73 -13.247 -4.055 -7.329 535 HB2 ARG 73 1HB ARG 73 -14.334 -4.949 -9.400 536 HB3 ARG 73 2HB ARG 73 -13.775 -6.187 -8.283 537 HG2 ARG 73 1HG ARG 73 -15.937 -6.750 -7.631 538 HG3 ARG 73 2HG ARG 73 -16.613 -5.237 -8.237 539 HD2 ARG 73 1HD ARG 73 -15.494 -7.485 -9.908 540 HD3 ARG 73 2HD ARG 73 -17.202 -7.105 -9.689 541 HE ARG 73 HE ARG 73 -15.327 -5.758 -11.409 542 HH11 ARG 73 2HH1 ARG 73 -18.338 -5.508 -9.678 543 HH12 ARG 73 1HH1 ARG 73 -18.970 -4.258 -10.697 544 HH21 ARG 73 2HH2 ARG 73 -16.149 -4.112 -12.758 545 HH22 ARG 73 1HH2 ARG 73 -17.725 -3.465 -12.449 546 H GLY 74 H GLY 74 -14.530 -2.212 -5.982 547 HA2 GLY 74 1HA GLY 74 -15.549 -0.460 -7.946 548 HA3 GLY 74 2HA GLY 74 -16.886 -1.129 -7.023 549 H ALA 75 H ALA 75 -15.655 -1.289 -4.505 550 HA ALA 75 HA ALA 75 -16.059 1.339 -3.559 551 HB1 ALA 75 1HB ALA 75 -15.248 0.441 -1.390 552 HB2 ALA 75 2HB ALA 75 -16.517 -0.536 -2.131 553 HB3 ALA 75 3HB ALA 75 -14.836 -1.064 -2.213 554 H SER 76 H SER 76 -14.658 2.925 -2.916 555 HA SER 76 HA SER 76 -12.118 3.017 -4.190 556 HB2 SER 76 1HB SER 76 -13.677 4.828 -2.402 557 HB3 SER 76 2HB SER 76 -11.948 5.127 -2.583 558 HG SER 76 HG SER 76 -12.227 5.457 -4.738 559 H TYR 77 H TYR 77 -10.097 2.719 -3.403 560 HA TYR 77 HA TYR 77 -9.785 2.120 -0.547 561 HB2 TYR 77 1HB TYR 77 -9.184 0.335 -2.856 562 HB3 TYR 77 2HB TYR 77 -8.068 0.320 -1.495 563 HD1 TYR 77 1HD TYR 77 -9.065 -0.103 0.838 564 HD2 TYR 77 2HD TYR 77 -11.147 -0.927 -2.780 565 HE1 TYR 77 1HE TYR 77 -10.558 -1.634 2.053 566 HE2 TYR 77 2HE TYR 77 -12.647 -2.459 -1.575 567 HH TYR 77 HH TYR 77 -12.786 -3.717 0.408 568 H LEU 78 H LEU 78 -8.430 3.628 0.163 569 HA LEU 78 HA LEU 78 -6.371 4.714 -1.575 570 HB2 LEU 78 1HB LEU 78 -7.047 5.406 1.279 571 HB3 LEU 78 2HB LEU 78 -5.976 6.310 0.211 572 HG LEU 78 HG LEU 78 -8.869 5.922 -0.477 573 HD11 LEU 78 1HD1 LEU 78 -9.580 7.309 1.100 574 HD12 LEU 78 2HD1 LEU 78 -8.336 8.490 0.693 575 HD13 LEU 78 3HD1 LEU 78 -7.986 7.204 1.847 576 HD21 LEU 78 1HD2 LEU 78 -7.331 6.753 -2.200 577 HD22 LEU 78 2HD2 LEU 78 -6.866 8.080 -1.136 578 HD23 LEU 78 3HD2 LEU 78 -8.521 7.969 -1.737 579 H VAL 79 H VAL 79 -4.720 3.295 -1.800 580 HA VAL 79 HA VAL 79 -3.634 1.946 0.546 581 HB VAL 79 HB VAL 79 -2.818 1.736 -2.356 582 HG11 VAL 79 1HG1 VAL 79 -1.161 0.353 -1.765 583 HG12 VAL 79 2HG1 VAL 79 -1.328 1.065 -0.159 584 HG13 VAL 79 3HG1 VAL 79 -2.145 -0.451 -0.542 585 HG21 VAL 79 1HG2 VAL 79 -3.912 -0.672 -1.538 586 HG22 VAL 79 2HG2 VAL 79 -4.978 0.543 -0.832 587 HG23 VAL 79 3HG2 VAL 79 -4.683 0.532 -2.570 588 H GLN 80 H GLN 80 -1.912 2.645 1.627 589 HA GLN 80 HA GLN 80 -0.163 4.634 0.337 590 HB2 GLN 80 1HB GLN 80 -1.028 4.489 3.229 591 HB3 GLN 80 2HB GLN 80 0.197 5.589 2.611 592 HG2 GLN 80 1HG GLN 80 -1.365 6.814 1.372 593 HG3 GLN 80 2HG GLN 80 -2.590 5.555 1.512 594 HE21 GLN 80 1HE2 GLN 80 -1.914 8.532 2.485 595 HE22 GLN 80 2HE2 GLN 80 -2.662 8.547 4.042 596 H VAL 81 H VAL 81 1.812 3.878 0.012 597 HA VAL 81 HA VAL 81 2.797 1.677 1.679 598 HB VAL 81 HB VAL 81 3.864 2.745 -0.939 599 HG11 VAL 81 1HG1 VAL 81 5.433 1.592 0.806 600 HG12 VAL 81 2HG1 VAL 81 4.644 0.118 0.242 601 HG13 VAL 81 3HG1 VAL 81 5.516 1.145 -0.897 602 HG21 VAL 81 1HG2 VAL 81 1.598 1.456 -0.793 603 HG22 VAL 81 2HG2 VAL 81 2.777 1.031 -2.034 604 HG23 VAL 81 3HG2 VAL 81 2.637 0.047 -0.578 605 H ARG 82 H ARG 82 4.628 1.815 2.892 606 HA ARG 82 HA ARG 82 6.121 4.345 2.844 607 HB2 ARG 82 1HB ARG 82 6.168 4.414 5.275 608 HB3 ARG 82 2HB ARG 82 4.505 4.419 4.703 609 HG2 ARG 82 1HG ARG 82 4.062 2.346 5.539 610 HG3 ARG 82 2HG ARG 82 5.735 1.806 5.389 611 HD2 ARG 82 1HD ARG 82 5.618 2.039 7.654 612 HD3 ARG 82 2HD ARG 82 6.122 3.672 7.221 613 HE ARG 82 HE ARG 82 3.263 3.267 7.381 614 HH11 ARG 82 2HH1 ARG 82 6.168 4.216 9.048 615 HH12 ARG 82 1HH1 ARG 82 5.330 5.129 10.259 616 HH21 ARG 82 2HH2 ARG 82 2.149 4.465 8.970 617 HH22 ARG 82 1HH2 ARG 82 3.044 5.269 10.214 618 H ALA 83 H ALA 83 8.284 4.213 3.632 619 HA ALA 83 HA ALA 83 9.378 1.481 3.510 620 HB1 ALA 83 1HB ALA 83 11.443 2.454 2.702 621 HB2 ALA 83 2HB ALA 83 10.094 2.976 1.692 622 HB3 ALA 83 3HB ALA 83 10.779 4.077 2.887 623 H ARG 84 H ARG 84 11.065 0.893 4.932 624 HA ARG 84 HA ARG 84 11.325 2.615 7.308 625 HB2 ARG 84 1HB ARG 84 9.952 0.820 8.005 626 HB3 ARG 84 2HB ARG 84 10.917 -0.362 7.131 627 HG2 ARG 84 1HG ARG 84 12.801 0.167 8.709 628 HG3 ARG 84 2HG ARG 84 11.640 1.102 9.653 629 HD2 ARG 84 1HD ARG 84 10.471 -0.763 10.317 630 HD3 ARG 84 2HD ARG 84 10.968 -1.703 8.910 631 HE ARG 84 HE ARG 84 13.257 -1.222 10.389 632 HH11 ARG 84 2HH1 ARG 84 10.211 -2.851 10.824 633 HH12 ARG 84 1HH1 ARG 84 10.847 -4.022 11.932 634 HH21 ARG 84 2HH2 ARG 84 14.106 -2.757 11.846 635 HH22 ARG 84 1HH2 ARG 84 13.063 -3.967 12.513 636 H SER 85 H SER 85 13.341 3.058 7.949 637 HA SER 85 HA SER 85 15.539 1.432 6.852 638 HB2 SER 85 1HB SER 85 16.810 3.342 6.337 639 HB3 SER 85 2HB SER 85 15.182 3.772 5.812 640 HG SER 85 HG SER 85 16.669 5.128 7.437 641 H GLU 86 H GLU 86 17.605 1.723 8.091 642 HA GLU 86 HA GLU 86 17.422 0.888 10.670 643 HB2 GLU 86 1HB GLU 86 19.602 2.651 9.538 644 HB3 GLU 86 2HB GLU 86 19.737 1.672 10.992 645 HG2 GLU 86 1HG GLU 86 19.058 -0.261 9.333 646 HG3 GLU 86 2HG GLU 86 19.733 0.850 8.142 647 H ALA 87 H ALA 87 17.634 4.254 9.579 648 HA ALA 87 HA ALA 87 17.773 5.486 12.080 649 HB1 ALA 87 1HB ALA 87 16.356 6.627 9.682 650 HB2 ALA 87 2HB ALA 87 17.159 7.502 10.987 651 HB3 ALA 87 3HB ALA 87 18.113 6.567 9.835 652 H GLY 88 H GLY 88 14.929 4.644 10.114 653 HA2 GLY 88 1HA GLY 88 13.236 3.846 12.081 654 HA3 GLY 88 2HA GLY 88 13.094 5.597 12.124 655 H TYR 89 H TYR 89 10.812 4.974 11.612 656 HA TYR 89 HA TYR 89 10.288 4.077 8.917 657 HB2 TYR 89 1HB TYR 89 8.620 4.787 11.292 658 HB3 TYR 89 2HB TYR 89 7.866 4.787 9.701 659 HD1 TYR 89 1HD TYR 89 9.578 2.688 12.207 660 HD2 TYR 89 2HD TYR 89 7.373 2.745 8.569 661 HE1 TYR 89 1HE TYR 89 9.285 0.251 12.354 662 HE2 TYR 89 2HE TYR 89 7.072 0.308 8.706 663 HH TYR 89 HH TYR 89 7.479 -1.535 9.866 664 H GLY 90 H GLY 90 9.163 5.296 7.321 665 HA2 GLY 90 1HA GLY 90 9.584 8.208 7.596 666 HA3 GLY 90 2HA GLY 90 9.763 7.333 6.083 667 HA PRO 91 HA PRO 91 5.405 9.120 6.654 668 HB2 PRO 91 1HB PRO 91 5.568 11.081 4.784 669 HB3 PRO 91 2HB PRO 91 5.989 11.336 6.482 670 HG2 PRO 91 1HG PRO 91 7.784 10.816 4.143 671 HG3 PRO 91 2HG PRO 91 7.982 11.976 5.470 672 HD2 PRO 91 1HD PRO 91 9.279 9.600 5.406 673 HD3 PRO 91 2HD PRO 91 8.772 10.370 6.923 674 H PHE 92 H PHE 92 3.797 8.309 5.432 675 HA PHE 92 HA PHE 92 4.218 6.500 3.395 676 HB2 PHE 92 1HB PHE 92 1.826 8.095 4.242 677 HB3 PHE 92 2HB PHE 92 1.737 7.086 2.802 678 HD1 PHE 92 1HD PHE 92 2.464 4.614 3.093 679 HD2 PHE 92 2HD PHE 92 1.373 7.179 6.310 680 HE1 PHE 92 1HE PHE 92 1.996 2.648 4.497 681 HE2 PHE 92 2HE PHE 92 0.904 5.218 7.719 682 HZ PHE 92 HZ PHE 92 1.216 2.949 6.814 683 H GLY 93 H GLY 93 3.872 6.560 1.127 684 HA2 GLY 93 1HA GLY 93 4.862 8.986 -0.090 685 HA3 GLY 93 2HA GLY 93 4.536 7.464 -0.906 686 H GLN 94 H GLN 94 3.764 9.278 -2.452 687 HA GLN 94 HA GLN 94 1.410 10.697 -2.003 688 HB2 GLN 94 1HB GLN 94 3.121 10.680 -4.016 689 HB3 GLN 94 2HB GLN 94 1.954 9.564 -4.712 690 HG2 GLN 94 1HG GLN 94 0.193 11.302 -4.294 691 HG3 GLN 94 2HG GLN 94 1.497 12.412 -3.874 692 HE21 GLN 94 1HE2 GLN 94 -0.010 10.588 -6.426 693 HE22 GLN 94 2HE2 GLN 94 0.741 11.422 -7.739 694 H GLU 95 H GLU 95 -0.462 9.874 -1.345 695 HA GLU 95 HA GLU 95 -1.333 7.304 -1.340 696 HB2 GLU 95 1HB GLU 95 -3.536 8.106 -0.993 697 HB3 GLU 95 2HB GLU 95 -2.465 9.326 -0.319 698 HG2 GLU 95 1HG GLU 95 -3.336 9.653 -3.134 699 HG3 GLU 95 2HG GLU 95 -4.518 9.948 -1.860 700 H HIS 96 H HIS 96 -2.671 6.008 -2.647 701 HA HIS 96 HA HIS 96 -2.958 6.852 -5.445 702 HB2 HIS 96 1HB HIS 96 -0.930 5.407 -5.173 703 HB3 HIS 96 2HB HIS 96 -1.984 4.115 -4.607 704 HD1 HIS 96 1HD HIS 96 -3.760 3.220 -6.408 705 HD2 HIS 96 2HD HIS 96 -0.692 5.597 -7.889 706 HE1 HIS 96 1HE HIS 96 -3.736 2.818 -8.890 707 HE2 HIS 96 2HE HIS 96 -1.817 4.202 -9.753 708 H HIS 97 H HIS 97 -4.771 6.115 -6.491 709 HA HIS 97 HA HIS 97 -6.724 4.716 -4.795 710 HB2 HIS 97 1HB HIS 97 -7.267 6.397 -7.248 711 HB3 HIS 97 2HB HIS 97 -8.458 5.759 -6.119 712 HD1 HIS 97 1HD HIS 97 -5.601 8.250 -6.203 713 HD2 HIS 97 2HD HIS 97 -9.048 7.417 -4.038 714 HE1 HIS 97 1HE HIS 97 -5.881 10.180 -4.615 715 HE2 HIS 97 2HE HIS 97 -7.925 9.612 -3.258 716 H SER 98 H SER 98 -6.512 2.589 -5.215 717 HA SER 98 HA SER 98 -5.758 1.452 -7.662 718 HB2 SER 98 1HB SER 98 -7.365 0.244 -5.397 719 HB3 SER 98 2HB SER 98 -6.634 -0.672 -6.716 720 HG SER 98 HG SER 98 -5.141 1.024 -5.009 721 H GLN 99 H GLN 99 -6.828 1.005 -9.482 722 HA GLN 99 HA GLN 99 -9.704 1.586 -9.557 723 HB2 GLN 99 1HB GLN 99 -7.602 1.510 -11.720 724 HB3 GLN 99 2HB GLN 99 -9.322 1.653 -12.060 725 HG2 GLN 99 1HG GLN 99 -9.374 3.719 -10.702 726 HG3 GLN 99 2HG GLN 99 -7.627 3.592 -10.505 727 HE21 GLN 99 1HE2 GLN 99 -7.975 5.813 -11.497 728 HE22 GLN 99 2HE2 GLN 99 -7.880 5.903 -13.219 729 H THR 100 H THR 100 -10.675 -0.300 -8.970 730 HA THR 100 HA THR 100 -9.817 -2.848 -9.977 731 HB THR 100 HB THR 100 -11.805 -3.751 -8.841 732 HG1 THR 100 1HG THR 100 -12.928 -1.547 -9.265 733 HG21 THR 100 1HG2 THR 100 -9.804 -2.048 -7.513 734 HG22 THR 100 2HG2 THR 100 -10.231 -3.734 -7.222 735 HG23 THR 100 3HG2 THR 100 -11.219 -2.444 -6.538 736 H GLN 101 H GLN 101 -9.934 -2.486 -12.257 737 HA GLN 101 HA GLN 101 -10.903 -2.532 -14.318 738 HB2 GLN 101 1HB GLN 101 -11.770 -4.670 -13.082 739 HB3 GLN 101 2HB GLN 101 -13.315 -3.831 -13.107 740 HG2 GLN 101 1HG GLN 101 -12.934 -3.573 -15.616 741 HG3 GLN 101 2HG GLN 101 -11.667 -4.783 -15.420 742 HE21 GLN 101 1HE2 GLN 101 -12.256 -6.805 -15.698 743 HE22 GLN 101 2HE2 GLN 101 -13.859 -7.432 -15.542 744 H LEU 102 H LEU 102 -11.275 -0.124 -13.024 745 HA LEU 102 HA LEU 102 -13.445 0.970 -14.473 746 HB2 LEU 102 1HB LEU 102 -15.049 1.372 -12.905 747 HB3 LEU 102 2HB LEU 102 -14.444 -0.183 -12.338 748 HG LEU 102 HG LEU 102 -12.930 1.244 -10.793 749 HD11 LEU 102 1HD1 LEU 102 -14.961 3.267 -10.551 750 HD12 LEU 102 2HD1 LEU 102 -14.234 3.298 -12.157 751 HD13 LEU 102 3HD1 LEU 102 -13.215 3.442 -10.726 752 HD21 LEU 102 1HD2 LEU 102 -15.717 0.390 -10.565 753 HD22 LEU 102 2HD2 LEU 102 -15.252 1.637 -9.408 754 HD23 LEU 102 3HD2 LEU 102 -14.353 0.121 -9.480 755 H ASP 103 H ASP 103 -12.835 2.959 -14.994 756 HA ASP 103 HA ASP 103 -10.571 4.189 -13.785 757 HB2 ASP 103 1HB ASP 103 -12.575 5.239 -15.792 758 HB3 ASP 103 2HB ASP 103 -11.108 6.091 -15.317 759 H SER 104 H SER 104 -10.452 6.123 -12.608 760 HA SER 104 HA SER 104 -12.860 6.680 -11.029 761 HB2 SER 104 1HB SER 104 -10.870 6.045 -9.751 762 HB3 SER 104 2HB SER 104 -9.960 7.365 -10.486 763 HG SER 104 HG SER 104 -10.645 8.372 -8.751 764 H GLY 105 H GLY 105 -10.141 8.457 -12.511 765 HA2 GLY 105 1HA GLY 105 -11.206 10.254 -14.084 766 HA3 GLY 105 2HA GLY 105 -11.803 10.873 -12.551 767 HA PRO 106 HA PRO 106 -6.960 11.338 -12.653 768 HB2 PRO 106 1HB PRO 106 -5.891 11.373 -15.148 769 HB3 PRO 106 2HB PRO 106 -6.041 9.896 -14.188 770 HG2 PRO 106 1HG PRO 106 -7.799 10.911 -16.389 771 HG3 PRO 106 2HG PRO 106 -7.216 9.262 -16.092 772 HD2 PRO 106 1HD PRO 106 -9.710 10.071 -15.414 773 HD3 PRO 106 2HD PRO 106 -8.815 8.852 -14.483 774 H SER 107 H SER 107 -9.442 12.816 -14.289 775 HA SER 107 HA SER 107 -8.578 14.940 -15.687 776 HB2 SER 107 1HB SER 107 -10.740 14.719 -13.621 777 HB3 SER 107 2HB SER 107 -10.406 16.282 -14.367 778 HG SER 107 HG SER 107 -12.024 14.840 -15.408 779 H SER 108 H SER 108 -7.034 16.393 -15.420 780 HA SER 108 HA SER 108 -5.566 16.773 -13.088 781 HB2 SER 108 1HB SER 108 -5.035 17.447 -15.547 782 HB3 SER 108 2HB SER 108 -5.837 18.962 -15.131 783 HG SER 108 HG SER 108 -3.886 17.990 -13.386 784 H GLY 109 H GLY 109 -6.496 17.375 -11.223 785 HA2 GLY 109 1HA GLY 109 -7.023 19.817 -10.362 786 HA3 GLY 109 2HA GLY 109 -8.519 19.483 -11.223 Start of MODEL 20 1 H1 GLY 1 H GLY 1 5.167 23.733 6.090 2 HA2 GLY 1 1HA GLY 1 6.195 24.900 8.117 3 HA3 GLY 1 2HA GLY 1 5.366 23.388 8.456 4 H SER 2 H SER 2 6.862 21.397 8.068 5 HA SER 2 HA SER 2 9.625 21.916 8.831 6 HB2 SER 2 1HB SER 2 9.531 20.457 10.788 7 HB3 SER 2 2HB SER 2 8.391 21.789 10.974 8 HG SER 2 HG SER 2 7.425 19.467 9.790 9 H SER 3 H SER 3 10.996 20.469 7.975 10 HA SER 3 HA SER 3 9.836 18.038 6.777 11 HB2 SER 3 1HB SER 3 12.090 19.791 5.781 12 HB3 SER 3 2HB SER 3 11.712 18.208 5.103 13 HG SER 3 HG SER 3 10.354 20.616 4.874 14 H GLY 4 H GLY 4 10.280 16.609 8.417 15 HA2 GLY 4 1HA GLY 4 12.782 16.516 9.782 16 HA3 GLY 4 2HA GLY 4 11.525 15.289 9.835 17 H SER 5 H SER 5 14.627 15.535 9.272 18 HA SER 5 HA SER 5 14.678 13.884 6.846 19 HB2 SER 5 1HB SER 5 16.728 15.568 8.251 20 HB3 SER 5 2HB SER 5 17.243 14.273 7.169 21 HG SER 5 HG SER 5 17.049 16.190 6.009 22 H SER 6 H SER 6 13.667 12.634 9.089 23 HA SER 6 HA SER 6 15.871 10.877 9.946 24 HB2 SER 6 1HB SER 6 14.884 11.913 11.866 25 HB3 SER 6 2HB SER 6 13.253 11.563 11.293 26 HG SER 6 HG SER 6 15.158 9.561 11.925 27 H GLY 7 H GLY 7 15.880 9.321 8.390 28 HA2 GLY 7 1HA GLY 7 14.993 7.062 8.064 29 HA3 GLY 7 2HA GLY 7 13.384 7.767 8.106 30 HA PRO 8 HA PRO 8 14.992 7.317 3.689 31 HB2 PRO 8 1HB PRO 8 13.177 5.473 2.866 32 HB3 PRO 8 2HB PRO 8 14.734 5.037 3.581 33 HG2 PRO 8 1HG PRO 8 12.029 5.150 4.858 34 HG3 PRO 8 2HG PRO 8 13.297 3.922 5.030 35 HD2 PRO 8 1HD PRO 8 12.880 5.853 6.881 36 HD3 PRO 8 2HD PRO 8 14.489 5.183 6.546 37 HA PRO 9 HA PRO 9 11.884 9.963 2.053 38 HB2 PRO 9 1HB PRO 9 11.897 9.306 -0.581 39 HB3 PRO 9 2HB PRO 9 13.208 10.206 0.191 40 HG2 PRO 9 1HG PRO 9 13.042 7.290 -0.468 41 HG3 PRO 9 2HG PRO 9 14.403 8.408 -0.673 42 HD2 PRO 9 1HD PRO 9 14.241 6.675 1.401 43 HD3 PRO 9 2HD PRO 9 15.019 8.264 1.544 44 H ALA 10 H ALA 10 9.714 10.016 1.781 45 HA ALA 10 HA ALA 10 8.139 7.764 2.208 46 HB1 ALA 10 1HB ALA 10 7.467 10.153 2.557 47 HB2 ALA 10 2HB ALA 10 7.213 10.268 0.815 48 HB3 ALA 10 3HB ALA 10 6.249 9.145 1.775 49 H VAL 11 H VAL 11 7.824 6.069 0.935 50 HA VAL 11 HA VAL 11 8.611 5.537 -1.552 51 HB VAL 11 HB VAL 11 5.879 4.768 -0.514 52 HG11 VAL 11 1HG1 VAL 11 5.676 3.271 -2.199 53 HG12 VAL 11 2HG1 VAL 11 6.717 4.424 -3.038 54 HG13 VAL 11 3HG1 VAL 11 7.413 2.982 -2.297 55 HG21 VAL 11 1HG2 VAL 11 8.522 4.074 0.358 56 HG22 VAL 11 2HG2 VAL 11 6.964 3.587 1.026 57 HG23 VAL 11 3HG2 VAL 11 7.701 2.646 -0.271 58 H SER 12 H SER 12 8.227 6.143 -3.595 59 HA SER 12 HA SER 12 5.841 7.779 -4.142 60 HB2 SER 12 1HB SER 12 7.100 9.327 -5.439 61 HB3 SER 12 2HB SER 12 7.998 9.120 -3.936 62 HG SER 12 HG SER 12 9.608 8.417 -5.070 63 H ASP 13 H ASP 13 5.730 8.085 -6.687 64 HA ASP 13 HA ASP 13 5.030 7.002 -8.577 65 HB2 ASP 13 1HB ASP 13 7.858 6.154 -8.127 66 HB3 ASP 13 2HB ASP 13 6.952 5.396 -9.433 67 H ILE 14 H ILE 14 3.707 5.879 -6.589 68 HA ILE 14 HA ILE 14 4.129 2.999 -6.595 69 HB ILE 14 HB ILE 14 1.991 4.610 -5.196 70 HG12 ILE 14 1HG1 ILE 14 4.333 3.348 -3.820 71 HG13 ILE 14 2HG1 ILE 14 4.535 4.910 -4.606 72 HG21 ILE 14 1HG2 ILE 14 1.679 2.592 -3.842 73 HG22 ILE 14 2HG2 ILE 14 1.351 2.291 -5.548 74 HG23 ILE 14 3HG2 ILE 14 2.869 1.749 -4.833 75 HD11 ILE 14 1HD1 ILE 14 3.506 4.359 -2.045 76 HD12 ILE 14 2HD1 ILE 14 3.664 5.921 -2.850 77 HD13 ILE 14 3HD1 ILE 14 2.177 4.987 -3.019 78 H ARG 15 H ARG 15 3.221 1.731 -8.061 79 HA ARG 15 HA ARG 15 0.646 2.548 -9.235 80 HB2 ARG 15 1HB ARG 15 1.327 1.684 -11.374 81 HB3 ARG 15 2HB ARG 15 2.548 2.822 -10.821 82 HG2 ARG 15 1HG ARG 15 4.068 1.104 -10.305 83 HG3 ARG 15 2HG ARG 15 2.819 -0.138 -10.416 84 HD2 ARG 15 1HD ARG 15 3.857 -0.421 -12.436 85 HD3 ARG 15 2HD ARG 15 2.616 0.750 -12.881 86 HE ARG 15 HE ARG 15 5.122 1.923 -12.075 87 HH11 ARG 15 2HH1 ARG 15 3.249 0.652 -14.720 88 HH12 ARG 15 1HH1 ARG 15 4.124 1.527 -15.932 89 HH21 ARG 15 2HH2 ARG 15 6.282 3.081 -13.661 90 HH22 ARG 15 1HH2 ARG 15 5.850 2.908 -15.328 91 H VAL 16 H VAL 16 -0.587 0.704 -10.170 92 HA VAL 16 HA VAL 16 -0.175 -1.734 -8.562 93 HB VAL 16 HB VAL 16 -2.797 -0.591 -9.537 94 HG11 VAL 16 1HG1 VAL 16 -3.638 -2.377 -7.851 95 HG12 VAL 16 2HG1 VAL 16 -3.162 -2.877 -9.475 96 HG13 VAL 16 3HG1 VAL 16 -2.061 -3.119 -8.118 97 HG21 VAL 16 1HG2 VAL 16 -1.691 -0.762 -6.736 98 HG22 VAL 16 2HG2 VAL 16 -1.779 0.707 -7.708 99 HG23 VAL 16 3HG2 VAL 16 -3.260 -0.108 -7.205 100 H THR 17 H THR 17 0.565 -3.319 -9.808 101 HA THR 17 HA THR 17 -0.345 -3.487 -12.597 102 HB THR 17 HB THR 17 2.091 -3.387 -12.300 103 HG1 THR 17 1HG THR 17 2.300 -4.781 -13.890 104 HG21 THR 17 1HG2 THR 17 1.553 -5.691 -10.479 105 HG22 THR 17 2HG2 THR 17 2.645 -4.322 -10.268 106 HG23 THR 17 3HG2 THR 17 3.076 -5.635 -11.364 107 H ARG 18 H ARG 18 -0.631 -5.711 -13.473 108 HA ARG 18 HA ARG 18 -1.813 -7.656 -13.498 109 HB2 ARG 18 1HB ARG 18 -0.169 -7.826 -11.017 110 HB3 ARG 18 2HB ARG 18 -1.421 -9.037 -11.260 111 HG2 ARG 18 1HG ARG 18 -0.405 -9.873 -13.189 112 HG3 ARG 18 2HG ARG 18 0.604 -8.438 -13.385 113 HD2 ARG 18 1HD ARG 18 1.917 -9.031 -11.463 114 HD3 ARG 18 2HD ARG 18 0.833 -10.368 -11.082 115 HE ARG 18 HE ARG 18 1.913 -11.644 -12.645 116 HH11 ARG 18 2HH1 ARG 18 2.736 -8.297 -13.136 117 HH12 ARG 18 1HH1 ARG 18 3.954 -8.635 -14.321 118 HH21 ARG 18 2HH2 ARG 18 3.514 -12.102 -14.204 119 HH22 ARG 18 1HH2 ARG 18 4.395 -10.800 -14.928 120 H SER 19 H SER 19 -3.343 -5.474 -12.835 121 HA SER 19 HA SER 19 -4.796 -5.400 -10.536 122 HB2 SER 19 1HB SER 19 -6.731 -4.629 -11.949 123 HB3 SER 19 2HB SER 19 -5.213 -3.794 -12.278 124 HG SER 19 HG SER 19 -6.673 -4.855 -14.058 125 H SER 20 H SER 20 -6.563 -6.439 -9.664 126 HA SER 20 HA SER 20 -7.512 -8.863 -11.024 127 HB2 SER 20 1HB SER 20 -6.192 -8.657 -8.364 128 HB3 SER 20 2HB SER 20 -7.556 -9.765 -8.505 129 HG SER 20 HG SER 20 -5.031 -9.889 -9.656 130 HA PRO 21 HA PRO 21 -11.557 -7.680 -9.811 131 HB2 PRO 21 1HB PRO 21 -12.713 -10.057 -9.194 132 HB3 PRO 21 2HB PRO 21 -12.327 -9.579 -10.851 133 HG2 PRO 21 1HG PRO 21 -10.809 -11.370 -8.993 134 HG3 PRO 21 2HG PRO 21 -11.148 -11.579 -10.721 135 HD2 PRO 21 1HD PRO 21 -8.765 -10.680 -9.803 136 HD3 PRO 21 2HD PRO 21 -9.448 -10.158 -11.356 137 H SER 22 H SER 22 -10.226 -10.121 -7.574 138 HA SER 22 HA SER 22 -11.356 -8.556 -5.346 139 HB2 SER 22 1HB SER 22 -11.346 -11.492 -5.865 140 HB3 SER 22 2HB SER 22 -11.169 -10.953 -4.195 141 HG SER 22 HG SER 22 -13.263 -10.215 -5.966 142 H SER 23 H SER 23 -8.836 -8.010 -6.391 143 HA SER 23 HA SER 23 -7.229 -8.114 -4.085 144 HB2 SER 23 1HB SER 23 -5.377 -9.549 -5.059 145 HB3 SER 23 2HB SER 23 -6.819 -10.422 -4.540 146 HG SER 23 HG SER 23 -5.749 -10.127 -7.048 147 H LEU 24 H LEU 24 -5.142 -7.081 -4.390 148 HA LEU 24 HA LEU 24 -4.706 -5.799 -6.974 149 HB2 LEU 24 1HB LEU 24 -4.905 -4.212 -4.421 150 HB3 LEU 24 2HB LEU 24 -4.577 -3.583 -6.034 151 HG LEU 24 HG LEU 24 -7.169 -4.923 -5.287 152 HD11 LEU 24 1HD1 LEU 24 -6.217 -2.167 -4.810 153 HD12 LEU 24 2HD1 LEU 24 -7.424 -3.120 -3.947 154 HD13 LEU 24 3HD1 LEU 24 -7.841 -2.342 -5.474 155 HD21 LEU 24 1HD2 LEU 24 -6.251 -4.562 -7.730 156 HD22 LEU 24 2HD2 LEU 24 -6.828 -2.917 -7.460 157 HD23 LEU 24 3HD2 LEU 24 -7.947 -4.276 -7.339 158 H SER 25 H SER 25 -2.629 -5.946 -7.473 159 HA SER 25 HA SER 25 -0.695 -6.549 -5.376 160 HB2 SER 25 1HB SER 25 -0.660 -7.986 -7.337 161 HB3 SER 25 2HB SER 25 -0.450 -6.590 -8.393 162 HG SER 25 HG SER 25 1.583 -6.279 -7.560 163 H LEU 26 H LEU 26 0.478 -4.999 -4.483 164 HA LEU 26 HA LEU 26 0.767 -2.439 -5.872 165 HB2 LEU 26 1HB LEU 26 1.465 -3.129 -3.024 166 HB3 LEU 26 2HB LEU 26 1.388 -1.518 -3.735 167 HG LEU 26 HG LEU 26 -0.989 -3.342 -3.385 168 HD11 LEU 26 1HD1 LEU 26 -1.607 -1.971 -1.504 169 HD12 LEU 26 2HD1 LEU 26 -0.176 -0.963 -1.722 170 HD13 LEU 26 3HD1 LEU 26 -0.001 -2.648 -1.229 171 HD21 LEU 26 1HD2 LEU 26 -1.707 -1.912 -4.997 172 HD22 LEU 26 2HD2 LEU 26 -0.556 -0.652 -4.551 173 HD23 LEU 26 3HD2 LEU 26 -2.016 -0.895 -3.590 174 H ALA 27 H ALA 27 2.768 -1.450 -6.192 175 HA ALA 27 HA ALA 27 5.220 -2.710 -5.406 176 HB1 ALA 27 1HB ALA 27 5.146 -2.564 -8.335 177 HB2 ALA 27 2HB ALA 27 5.855 -3.781 -7.274 178 HB3 ALA 27 3HB ALA 27 4.128 -3.820 -7.630 179 H TRP 28 H TRP 28 6.635 -1.129 -5.085 180 HA TRP 28 HA TRP 28 6.296 1.378 -6.595 181 HB2 TRP 28 1HB TRP 28 7.725 2.228 -4.520 182 HB3 TRP 28 2HB TRP 28 5.971 2.089 -4.439 183 HD1 TRP 28 HD TRP 28 8.909 1.223 -2.499 184 HE1 TRP 28 1HE TRP 28 8.401 -0.630 -0.786 185 HE3 TRP 28 3HE TRP 28 4.434 -0.402 -4.363 186 HZ2 TRP 28 2HZ TRP 28 6.372 -2.529 -0.290 187 HZ3 TRP 28 3HZ TRP 28 3.275 -2.241 -3.211 188 HH2 TRP 28 HH TRP 28 4.225 -3.282 -1.217 189 H ALA 29 H ALA 29 8.386 2.673 -6.736 190 HA ALA 29 HA ALA 29 10.443 0.907 -7.804 191 HB1 ALA 29 1HB ALA 29 11.146 2.661 -9.108 192 HB2 ALA 29 2HB ALA 29 9.434 3.046 -8.927 193 HB3 ALA 29 3HB ALA 29 10.635 3.879 -7.939 194 H VAL 30 H VAL 30 12.048 0.277 -6.531 195 HA VAL 30 HA VAL 30 12.666 0.962 -4.008 196 HB VAL 30 HB VAL 30 14.712 0.378 -6.154 197 HG11 VAL 30 1HG1 VAL 30 16.038 1.084 -4.420 198 HG12 VAL 30 2HG1 VAL 30 14.882 0.580 -3.186 199 HG13 VAL 30 3HG1 VAL 30 15.866 -0.625 -4.019 200 HG21 VAL 30 1HG2 VAL 30 14.508 -1.937 -5.453 201 HG22 VAL 30 2HG2 VAL 30 13.297 -1.489 -4.252 202 HG23 VAL 30 3HG2 VAL 30 12.940 -1.318 -5.971 203 HA PRO 31 HA PRO 31 13.653 5.339 -4.641 204 HB2 PRO 31 1HB PRO 31 13.306 6.008 -2.033 205 HB3 PRO 31 2HB PRO 31 11.962 5.841 -3.169 206 HG2 PRO 31 1HG PRO 31 12.976 3.892 -1.136 207 HG3 PRO 31 2HG PRO 31 11.303 4.323 -1.536 208 HD2 PRO 31 1HD PRO 31 12.489 2.070 -2.459 209 HD3 PRO 31 2HD PRO 31 11.262 2.954 -3.390 210 H ARG 32 H ARG 32 15.272 6.772 -3.622 211 HA ARG 32 HA ARG 32 17.684 5.278 -3.026 212 HB2 ARG 32 1HB ARG 32 18.813 7.455 -3.221 213 HB3 ARG 32 2HB ARG 32 17.811 7.111 -4.624 214 HG2 ARG 32 1HG ARG 32 16.023 8.494 -3.300 215 HG3 ARG 32 2HG ARG 32 17.447 9.145 -2.485 216 HD2 ARG 32 1HD ARG 32 18.388 9.806 -4.633 217 HD3 ARG 32 2HD ARG 32 16.996 9.116 -5.467 218 HE ARG 32 HE ARG 32 15.761 10.967 -4.888 219 HH11 ARG 32 2HH1 ARG 32 18.751 10.944 -3.105 220 HH12 ARG 32 1HH1 ARG 32 18.552 12.554 -2.496 221 HH21 ARG 32 2HH2 ARG 32 15.487 13.087 -4.092 222 HH22 ARG 32 1HH2 ARG 32 16.694 13.771 -3.057 223 H ALA 33 H ALA 33 17.839 4.596 -0.975 224 HA ALA 33 HA ALA 33 16.794 6.083 1.242 225 HB1 ALA 33 1HB ALA 33 18.219 3.499 0.891 226 HB2 ALA 33 2HB ALA 33 18.233 4.250 2.488 227 HB3 ALA 33 3HB ALA 33 16.699 3.853 1.714 228 HA PRO 34 HA PRO 34 20.253 8.564 2.316 229 HB2 PRO 34 1HB PRO 34 20.078 8.574 5.025 230 HB3 PRO 34 2HB PRO 34 18.949 9.451 3.987 231 HG2 PRO 34 1HG PRO 34 18.620 6.792 5.322 232 HG3 PRO 34 2HG PRO 34 17.457 8.123 5.177 233 HD2 PRO 34 1HD PRO 34 17.375 5.936 3.582 234 HD3 PRO 34 2HD PRO 34 16.873 7.544 3.024 235 H SER 35 H SER 35 22.076 7.425 1.711 236 HA SER 35 HA SER 35 23.829 5.938 1.861 237 HB2 SER 35 1HB SER 35 23.773 7.482 4.438 238 HB3 SER 35 2HB SER 35 25.028 6.277 4.151 239 HG SER 35 HG SER 35 25.525 7.432 2.205 240 H GLY 36 H GLY 36 21.526 4.505 2.201 241 HA2 GLY 36 1HA GLY 36 22.467 2.250 3.671 242 HA3 GLY 36 2HA GLY 36 21.156 3.055 4.521 243 H ALA 37 H ALA 37 20.461 0.661 4.018 244 HA ALA 37 HA ALA 37 19.225 0.468 1.374 245 HB1 ALA 37 1HB ALA 37 18.575 -1.845 2.699 246 HB2 ALA 37 2HB ALA 37 19.960 -1.627 1.628 247 HB3 ALA 37 3HB ALA 37 20.155 -1.442 3.371 248 H VAL 38 H VAL 38 16.979 -0.613 1.408 249 HA VAL 38 HA VAL 38 15.307 0.901 3.295 250 HB VAL 38 HB VAL 38 14.560 -0.276 0.614 251 HG11 VAL 38 1HG1 VAL 38 13.002 1.301 2.643 252 HG12 VAL 38 2HG1 VAL 38 12.521 1.197 0.949 253 HG13 VAL 38 3HG1 VAL 38 12.607 -0.264 1.934 254 HG21 VAL 38 1HG2 VAL 38 14.437 2.623 0.983 255 HG22 VAL 38 2HG2 VAL 38 16.068 1.957 1.070 256 HG23 VAL 38 3HG2 VAL 38 15.076 1.677 -0.361 257 H LEU 39 H LEU 39 14.944 -0.399 5.009 258 HA LEU 39 HA LEU 39 14.711 -3.199 4.927 259 HB2 LEU 39 1HB LEU 39 13.591 -1.277 6.962 260 HB3 LEU 39 2HB LEU 39 13.813 -3.011 7.191 261 HG LEU 39 HG LEU 39 16.187 -1.326 6.540 262 HD11 LEU 39 1HD1 LEU 39 14.821 -0.230 8.391 263 HD12 LEU 39 2HD1 LEU 39 16.505 -0.612 8.747 264 HD13 LEU 39 3HD1 LEU 39 15.217 -1.648 9.361 265 HD21 LEU 39 1HD2 LEU 39 17.334 -3.132 7.187 266 HD22 LEU 39 2HD2 LEU 39 15.800 -3.991 7.042 267 HD23 LEU 39 3HD2 LEU 39 16.323 -3.378 8.611 268 H ASP 40 H ASP 40 12.613 -4.242 5.922 269 HA ASP 40 HA ASP 40 10.698 -4.499 4.044 270 HB2 ASP 40 1HB ASP 40 9.827 -4.450 6.916 271 HB3 ASP 40 2HB ASP 40 9.348 -5.554 5.630 272 H TYR 41 H TYR 41 8.511 -3.725 3.798 273 HA TYR 41 HA TYR 41 8.262 -0.888 4.544 274 HB2 TYR 41 1HB TYR 41 6.871 -2.288 2.258 275 HB3 TYR 41 2HB TYR 41 6.955 -0.556 2.557 276 HD1 TYR 41 1HD TYR 41 9.126 -3.499 1.835 277 HD2 TYR 41 2HD TYR 41 8.609 0.712 1.524 278 HE1 TYR 41 1HE TYR 41 11.139 -3.362 0.428 279 HE2 TYR 41 2HE TYR 41 10.619 0.861 0.115 280 HH TYR 41 HH TYR 41 12.288 -0.244 -0.834 281 H GLU 42 H GLU 42 5.871 -0.165 4.545 282 HA GLU 42 HA GLU 42 4.212 -2.201 5.871 283 HB2 GLU 42 1HB GLU 42 5.343 -0.527 7.446 284 HB3 GLU 42 2HB GLU 42 4.274 0.680 6.746 285 HG2 GLU 42 1HG GLU 42 2.364 -0.324 7.622 286 HG3 GLU 42 2HG GLU 42 3.193 -1.852 7.919 287 H VAL 43 H VAL 43 2.248 -2.398 5.023 288 HA VAL 43 HA VAL 43 1.314 -0.322 3.168 289 HB VAL 43 HB VAL 43 0.423 -3.194 3.469 290 HG11 VAL 43 1HG1 VAL 43 -0.382 -2.036 1.005 291 HG12 VAL 43 2HG1 VAL 43 -1.393 -2.666 2.307 292 HG13 VAL 43 3HG1 VAL 43 -0.907 -0.970 2.308 293 HG21 VAL 43 1HG2 VAL 43 2.599 -3.133 2.502 294 HG22 VAL 43 2HG2 VAL 43 1.453 -3.405 1.189 295 HG23 VAL 43 3HG2 VAL 43 2.153 -1.804 1.431 296 H LYS 44 H LYS 44 -0.112 1.073 3.946 297 HA LYS 44 HA LYS 44 -2.020 0.150 5.993 298 HB2 LYS 44 1HB LYS 44 -0.297 1.976 6.577 299 HB3 LYS 44 2HB LYS 44 -1.261 3.028 5.549 300 HG2 LYS 44 1HG LYS 44 -3.176 2.756 6.958 301 HG3 LYS 44 2HG LYS 44 -2.352 1.523 7.917 302 HD2 LYS 44 1HD LYS 44 -0.940 3.074 8.923 303 HD3 LYS 44 2HD LYS 44 -1.194 4.274 7.654 304 HE2 LYS 44 1HE LYS 44 -3.305 3.381 9.614 305 HE3 LYS 44 2HE LYS 44 -2.314 4.827 9.805 306 HZ1 LYS 44 1HZ LYS 44 -4.435 4.282 7.837 307 HZ2 LYS 44 2HZ LYS 44 -3.218 5.398 7.471 308 HZ3 LYS 44 3HZ LYS 44 -4.211 5.643 8.818 309 H TYR 45 H TYR 45 -3.870 -0.313 4.973 310 HA TYR 45 HA TYR 45 -4.953 1.709 3.125 311 HB2 TYR 45 1HB TYR 45 -6.114 -0.187 1.961 312 HB3 TYR 45 2HB TYR 45 -4.361 -0.199 1.797 313 HD1 TYR 45 2HD TYR 45 -3.014 -1.826 3.124 314 HD2 TYR 45 1HD TYR 45 -7.265 -1.978 3.020 315 HE1 TYR 45 2HE TYR 45 -2.947 -4.133 3.973 316 HE2 TYR 45 1HE TYR 45 -7.209 -4.285 3.870 317 HH TYR 45 HH TYR 45 -5.286 -6.246 3.747 318 H HIS 46 H HIS 46 -7.279 1.864 3.060 319 HA HIS 46 HA HIS 46 -8.916 0.506 4.955 320 HB2 HIS 46 1HB HIS 46 -9.394 2.289 6.479 321 HB3 HIS 46 2HB HIS 46 -7.644 2.107 6.424 322 HD1 HIS 46 1HD HIS 46 -6.336 3.954 5.013 323 HD2 HIS 46 2HD HIS 46 -10.332 4.774 5.800 324 HE1 HIS 46 1HE HIS 46 -6.618 6.413 4.568 325 HE2 HIS 46 2HE HIS 46 -9.023 6.903 5.133 326 H GLU 47 H GLU 47 -10.714 0.284 3.810 327 HA GLU 47 HA GLU 47 -11.500 1.496 1.538 328 HB2 GLU 47 1HB GLU 47 -12.648 -0.368 2.965 329 HB3 GLU 47 2HB GLU 47 -13.600 0.962 3.609 330 HG2 GLU 47 1HG GLU 47 -13.361 0.655 0.659 331 HG3 GLU 47 2HG GLU 47 -14.432 -0.422 1.554 332 H LYS 48 H LYS 48 -12.802 3.239 0.920 333 HA LYS 48 HA LYS 48 -12.409 5.626 2.398 334 HB2 LYS 48 1HB LYS 48 -12.636 5.417 -0.116 335 HB3 LYS 48 2HB LYS 48 -14.366 5.225 0.134 336 HG2 LYS 48 1HG LYS 48 -14.651 7.411 0.793 337 HG3 LYS 48 2HG LYS 48 -12.968 7.592 1.292 338 HD2 LYS 48 1HD LYS 48 -13.528 7.065 -1.581 339 HD3 LYS 48 2HD LYS 48 -13.888 8.672 -0.947 340 HE2 LYS 48 1HE LYS 48 -11.240 7.386 -0.404 341 HE3 LYS 48 2HE LYS 48 -11.542 8.184 -1.947 342 HZ1 LYS 48 1HZ LYS 48 -11.672 10.228 -0.971 343 HZ2 LYS 48 2HZ LYS 48 -10.551 9.495 0.062 344 HZ3 LYS 48 3HZ LYS 48 -12.172 9.625 0.528 345 H GLY 49 H GLY 49 -15.431 3.930 1.522 346 HA2 GLY 49 1HA GLY 49 -17.254 5.411 2.910 347 HA3 GLY 49 2HA GLY 49 -17.382 3.668 2.722 348 H ALA 50 H ALA 50 -14.996 3.074 4.252 349 HA ALA 50 HA ALA 50 -16.165 2.974 6.841 350 HB1 ALA 50 1HB ALA 50 -14.171 1.593 5.523 351 HB2 ALA 50 2HB ALA 50 -13.308 2.459 6.795 352 HB3 ALA 50 3HB ALA 50 -14.645 1.387 7.209 353 H GLU 51 H GLU 51 -16.033 4.364 8.481 354 HA GLU 51 HA GLU 51 -13.850 6.329 8.509 355 HB2 GLU 51 1HB GLU 51 -16.795 6.900 8.848 356 HB3 GLU 51 2HB GLU 51 -15.532 8.029 9.321 357 HG2 GLU 51 1HG GLU 51 -14.833 8.340 7.097 358 HG3 GLU 51 2HG GLU 51 -15.752 6.947 6.531 359 H GLY 52 H GLY 52 -12.742 5.560 10.228 360 HA2 GLY 52 1HA GLY 52 -12.962 6.134 12.744 361 HA3 GLY 52 2HA GLY 52 -14.235 4.924 12.680 362 HA PRO 53 HA PRO 53 -10.165 2.890 13.737 363 HB2 PRO 53 1HB PRO 53 -11.055 1.676 15.996 364 HB3 PRO 53 2HB PRO 53 -10.383 3.311 15.985 365 HG2 PRO 53 1HG PRO 53 -13.247 2.439 16.003 366 HG3 PRO 53 2HG PRO 53 -12.466 3.734 16.929 367 HD2 PRO 53 1HD PRO 53 -13.923 4.214 14.697 368 HD3 PRO 53 2HD PRO 53 -12.526 5.208 15.158 369 H SER 54 H SER 54 -9.945 0.456 14.363 370 HA SER 54 HA SER 54 -10.139 -1.656 13.506 371 HB2 SER 54 1HB SER 54 -12.209 -2.758 14.055 372 HB3 SER 54 2HB SER 54 -11.878 -1.573 15.319 373 HG SER 54 HG SER 54 -13.663 -1.267 13.132 374 H SER 55 H SER 55 -10.337 0.503 11.559 375 HA SER 55 HA SER 55 -11.939 -0.877 9.505 376 HB2 SER 55 1HB SER 55 -11.559 2.065 10.013 377 HB3 SER 55 2HB SER 55 -12.003 1.470 8.413 378 HG SER 55 HG SER 55 -13.432 0.869 10.788 379 H VAL 56 H VAL 56 -9.001 0.905 10.254 380 HA VAL 56 HA VAL 56 -7.904 0.473 7.602 381 HB VAL 56 HB VAL 56 -7.379 2.574 8.678 382 HG11 VAL 56 1HG1 VAL 56 -7.570 1.924 10.997 383 HG12 VAL 56 2HG1 VAL 56 -6.144 0.894 10.857 384 HG13 VAL 56 3HG1 VAL 56 -5.985 2.645 10.716 385 HG21 VAL 56 1HG2 VAL 56 -4.943 0.797 8.588 386 HG22 VAL 56 2HG2 VAL 56 -5.693 1.580 7.197 387 HG23 VAL 56 3HG2 VAL 56 -4.954 2.556 8.467 388 H ARG 57 H ARG 57 -6.591 -1.141 7.025 389 HA ARG 57 HA ARG 57 -5.755 -3.037 9.105 390 HB2 ARG 57 1HB ARG 57 -6.479 -3.290 6.231 391 HB3 ARG 57 2HB ARG 57 -5.261 -4.394 6.858 392 HG2 ARG 57 1HG ARG 57 -7.086 -4.700 8.766 393 HG3 ARG 57 2HG ARG 57 -8.155 -4.223 7.446 394 HD2 ARG 57 1HD ARG 57 -8.122 -6.469 7.082 395 HD3 ARG 57 2HD ARG 57 -6.707 -6.015 6.133 396 HE ARG 57 HE ARG 57 -5.353 -7.047 7.691 397 HH11 ARG 57 2HH1 ARG 57 -8.626 -6.876 8.867 398 HH12 ARG 57 1HH1 ARG 57 -8.344 -7.953 10.194 399 HH21 ARG 57 2HH2 ARG 57 -4.969 -8.466 9.435 400 HH22 ARG 57 1HH2 ARG 57 -6.263 -8.857 10.517 401 H PHE 58 H PHE 58 -3.646 -4.134 8.751 402 HA PHE 58 HA PHE 58 -1.668 -2.382 7.463 403 HB2 PHE 58 1HB PHE 58 -1.642 -3.456 10.272 404 HB3 PHE 58 2HB PHE 58 -0.143 -3.042 9.446 405 HD1 PHE 58 2HD PHE 58 -3.497 -1.562 10.140 406 HD2 PHE 58 1HD PHE 58 0.693 -0.929 9.745 407 HE1 PHE 58 2HE PHE 58 -3.795 0.791 10.792 408 HE2 PHE 58 1HE PHE 58 0.402 1.426 10.397 409 HZ PHE 58 HZ PHE 58 -1.845 2.289 10.920 410 H LEU 59 H LEU 59 0.072 -3.398 6.518 411 HA LEU 59 HA LEU 59 0.355 -6.286 6.808 412 HB2 LEU 59 1HB LEU 59 -1.126 -6.288 5.000 413 HB3 LEU 59 2HB LEU 59 -0.379 -4.867 4.272 414 HG LEU 59 HG LEU 59 1.681 -6.533 4.059 415 HD11 LEU 59 1HD1 LEU 59 0.715 -8.769 3.351 416 HD12 LEU 59 2HD1 LEU 59 -0.744 -8.299 4.222 417 HD13 LEU 59 3HD1 LEU 59 0.786 -8.452 5.085 418 HD21 LEU 59 1HD2 LEU 59 1.033 -5.594 2.085 419 HD22 LEU 59 2HD2 LEU 59 -0.667 -6.005 2.316 420 HD23 LEU 59 3HD2 LEU 59 0.481 -7.246 1.810 421 H LYS 60 H LYS 60 2.432 -6.764 7.016 422 HA LYS 60 HA LYS 60 4.428 -4.821 6.099 423 HB2 LYS 60 1HB LYS 60 4.511 -7.030 8.148 424 HB3 LYS 60 2HB LYS 60 5.969 -6.228 7.578 425 HG2 LYS 60 1HG LYS 60 5.480 -4.271 8.644 426 HG3 LYS 60 2HG LYS 60 3.737 -4.541 8.578 427 HD2 LYS 60 1HD LYS 60 3.736 -5.877 10.449 428 HD3 LYS 60 2HD LYS 60 5.415 -6.374 10.225 429 HE2 LYS 60 1HE LYS 60 5.978 -3.909 10.727 430 HE3 LYS 60 2HE LYS 60 4.338 -3.820 11.368 431 HZ1 LYS 60 1HZ LYS 60 6.142 -5.963 12.267 432 HZ2 LYS 60 2HZ LYS 60 4.830 -5.263 13.072 433 HZ3 LYS 60 3HZ LYS 60 6.287 -4.415 12.933 434 H THR 61 H THR 61 6.001 -5.327 4.654 435 HA THR 61 HA THR 61 6.283 -8.091 3.750 436 HB THR 61 HB THR 61 4.644 -7.287 2.200 437 HG1 THR 61 1HG THR 61 7.267 -7.214 1.084 438 HG21 THR 61 1HG2 THR 61 6.361 -5.049 1.241 439 HG22 THR 61 2HG2 THR 61 5.415 -4.808 2.710 440 HG23 THR 61 3HG2 THR 61 4.607 -5.224 1.199 441 H SER 62 H SER 62 8.333 -8.612 3.248 442 HA SER 62 HA SER 62 10.438 -6.832 3.853 443 HB2 SER 62 1HB SER 62 11.895 -8.615 3.386 444 HB3 SER 62 2HB SER 62 10.415 -9.419 3.908 445 HG SER 62 HG SER 62 9.982 -9.992 1.852 446 H GLU 63 H GLU 63 9.025 -7.910 0.803 447 HA GLU 63 HA GLU 63 10.930 -6.377 -0.755 448 HB2 GLU 63 1HB GLU 63 9.659 -7.212 -2.700 449 HB3 GLU 63 2HB GLU 63 10.191 -8.510 -1.640 450 HG2 GLU 63 1HG GLU 63 7.483 -7.398 -1.192 451 HG3 GLU 63 2HG GLU 63 7.737 -8.394 -2.623 452 H ASN 64 H ASN 64 9.994 -4.951 -2.539 453 HA ASN 64 HA ASN 64 8.299 -2.970 -1.262 454 HB2 ASN 64 1HB ASN 64 8.880 -1.556 -3.200 455 HB3 ASN 64 2HB ASN 64 10.314 -2.209 -2.412 456 HD21 ASN 64 1HD2 ASN 64 10.820 -1.340 -4.781 457 HD22 ASN 64 2HD2 ASN 64 10.934 -2.599 -5.959 458 H ARG 65 H ARG 65 7.241 -5.587 -2.250 459 HA ARG 65 HA ARG 65 4.981 -4.476 -3.723 460 HB2 ARG 65 1HB ARG 65 4.996 -6.248 -5.385 461 HB3 ARG 65 2HB ARG 65 6.515 -5.364 -5.440 462 HG2 ARG 65 1HG ARG 65 7.680 -7.121 -4.357 463 HG3 ARG 65 2HG ARG 65 6.176 -7.952 -3.952 464 HD2 ARG 65 1HD ARG 65 7.131 -7.453 -6.766 465 HD3 ARG 65 2HD ARG 65 7.424 -8.945 -5.874 466 HE ARG 65 HE ARG 65 4.933 -8.079 -7.055 467 HH11 ARG 65 2HH1 ARG 65 6.487 -10.204 -4.777 468 HH12 ARG 65 1HH1 ARG 65 5.189 -11.352 -4.764 469 HH21 ARG 65 2HH2 ARG 65 3.218 -9.582 -7.046 470 HH22 ARG 65 1HH2 ARG 65 3.330 -10.998 -6.056 471 H ALA 66 H ALA 66 3.065 -5.334 -3.126 472 HA ALA 66 HA ALA 66 3.021 -7.871 -1.671 473 HB1 ALA 66 1HB ALA 66 2.926 -6.777 0.279 474 HB2 ALA 66 2HB ALA 66 2.551 -5.236 -0.495 475 HB3 ALA 66 3HB ALA 66 1.265 -6.402 -0.183 476 H GLU 67 H GLU 67 0.723 -8.589 -1.260 477 HA GLU 67 HA GLU 67 -1.068 -7.647 -3.399 478 HB2 GLU 67 1HB GLU 67 0.130 -9.898 -3.796 479 HB3 GLU 67 2HB GLU 67 -0.936 -10.529 -2.548 480 HG2 GLU 67 1HG GLU 67 -2.828 -9.518 -3.990 481 HG3 GLU 67 2HG GLU 67 -1.616 -9.505 -5.270 482 H LEU 68 H LEU 68 -2.934 -6.934 -2.630 483 HA LEU 68 HA LEU 68 -3.743 -7.660 0.078 484 HB2 LEU 68 1HB LEU 68 -4.928 -5.625 -1.804 485 HB3 LEU 68 2HB LEU 68 -5.323 -5.826 -0.099 486 HG LEU 68 HG LEU 68 -2.629 -4.969 -1.152 487 HD11 LEU 68 1HD1 LEU 68 -4.683 -3.258 0.224 488 HD12 LEU 68 2HD1 LEU 68 -4.528 -3.353 -1.530 489 HD13 LEU 68 3HD1 LEU 68 -3.185 -2.751 -0.558 490 HD21 LEU 68 1HD2 LEU 68 -3.292 -4.341 1.598 491 HD22 LEU 68 2HD2 LEU 68 -1.863 -5.131 0.932 492 HD23 LEU 68 3HD2 LEU 68 -3.307 -6.078 1.292 493 H ARG 69 H ARG 69 -4.991 -9.392 0.294 494 HA ARG 69 HA ARG 69 -6.819 -10.140 -1.863 495 HB2 ARG 69 1HB ARG 69 -5.953 -11.635 0.618 496 HB3 ARG 69 2HB ARG 69 -7.062 -12.263 -0.593 497 HG2 ARG 69 1HG ARG 69 -5.364 -12.333 -2.243 498 HG3 ARG 69 2HG ARG 69 -4.256 -11.402 -1.234 499 HD2 ARG 69 1HD ARG 69 -5.331 -14.024 -0.276 500 HD3 ARG 69 2HD ARG 69 -3.980 -13.980 -1.408 501 HE ARG 69 HE ARG 69 -3.535 -12.272 0.826 502 HH11 ARG 69 2HH1 ARG 69 -3.467 -15.599 -0.200 503 HH12 ARG 69 1HH1 ARG 69 -2.278 -16.070 0.969 504 HH21 ARG 69 2HH2 ARG 69 -1.970 -12.881 2.369 505 HH22 ARG 69 1HH2 ARG 69 -1.428 -14.524 2.430 506 H GLY 70 H GLY 70 -9.017 -10.261 -1.627 507 HA2 GLY 70 1HA GLY 70 -11.087 -10.108 -0.577 508 HA3 GLY 70 2HA GLY 70 -10.261 -9.862 0.954 509 H LEU 71 H LEU 71 -11.316 -8.288 -2.012 510 HA LEU 71 HA LEU 71 -11.761 -5.833 -0.542 511 HB2 LEU 71 1HB LEU 71 -9.993 -5.841 -2.982 512 HB3 LEU 71 2HB LEU 71 -10.491 -4.431 -2.050 513 HG LEU 71 HG LEU 71 -8.857 -6.627 -0.817 514 HD11 LEU 71 1HD1 LEU 71 -7.629 -5.906 -2.776 515 HD12 LEU 71 2HD1 LEU 71 -6.860 -5.287 -1.315 516 HD13 LEU 71 3HD1 LEU 71 -7.841 -4.217 -2.315 517 HD21 LEU 71 1HD2 LEU 71 -8.093 -4.538 0.500 518 HD22 LEU 71 2HD2 LEU 71 -9.674 -5.237 0.850 519 HD23 LEU 71 3HD2 LEU 71 -9.551 -3.792 -0.154 520 H LYS 72 H LYS 72 -12.604 -4.104 -2.219 521 HA LYS 72 HA LYS 72 -14.759 -5.427 -3.666 522 HB2 LYS 72 1HB LYS 72 -14.283 -2.692 -2.593 523 HB3 LYS 72 2HB LYS 72 -15.348 -2.843 -3.984 524 HG2 LYS 72 1HG LYS 72 -15.730 -4.473 -1.493 525 HG3 LYS 72 2HG LYS 72 -16.430 -2.865 -1.692 526 HD2 LYS 72 1HD LYS 72 -16.850 -4.979 -3.773 527 HD3 LYS 72 2HD LYS 72 -17.844 -4.946 -2.314 528 HE2 LYS 72 1HE LYS 72 -18.229 -2.466 -2.903 529 HE3 LYS 72 2HE LYS 72 -17.630 -2.906 -4.502 530 HZ1 LYS 72 1HZ LYS 72 -19.397 -4.408 -4.808 531 HZ2 LYS 72 2HZ LYS 72 -20.106 -3.004 -4.188 532 HZ3 LYS 72 3HZ LYS 72 -19.860 -4.342 -3.182 533 H ARG 73 H ARG 73 -15.001 -5.428 -5.835 534 HA ARG 73 HA ARG 73 -12.737 -4.618 -7.436 535 HB2 ARG 73 1HB ARG 73 -13.807 -5.776 -9.243 536 HB3 ARG 73 2HB ARG 73 -13.967 -6.764 -7.798 537 HG2 ARG 73 1HG ARG 73 -16.175 -4.893 -8.452 538 HG3 ARG 73 2HG ARG 73 -15.990 -6.345 -9.438 539 HD2 ARG 73 1HD ARG 73 -15.796 -7.512 -7.088 540 HD3 ARG 73 2HD ARG 73 -16.666 -6.076 -6.549 541 HE ARG 73 HE ARG 73 -18.170 -6.872 -8.608 542 HH11 ARG 73 2HH1 ARG 73 -16.816 -8.638 -5.931 543 HH12 ARG 73 1HH1 ARG 73 -18.094 -9.807 -5.886 544 HH21 ARG 73 2HH2 ARG 73 -19.859 -8.404 -8.559 545 HH22 ARG 73 1HH2 ARG 73 -19.825 -9.673 -7.382 546 H GLY 74 H GLY 74 -14.029 -2.428 -6.241 547 HA2 GLY 74 1HA GLY 74 -14.161 -0.564 -8.222 548 HA3 GLY 74 2HA GLY 74 -15.800 -1.193 -8.146 549 H ALA 75 H ALA 75 -13.370 -0.413 -5.659 550 HA ALA 75 HA ALA 75 -15.229 1.571 -4.553 551 HB1 ALA 75 1HB ALA 75 -15.387 0.629 -2.497 552 HB2 ALA 75 2HB ALA 75 -15.153 -0.848 -3.433 553 HB3 ALA 75 3HB ALA 75 -13.790 -0.113 -2.591 554 H SER 76 H SER 76 -14.271 3.290 -3.487 555 HA SER 76 HA SER 76 -11.616 3.927 -4.271 556 HB2 SER 76 1HB SER 76 -13.714 5.257 -2.602 557 HB3 SER 76 2HB SER 76 -12.060 5.866 -2.540 558 HG SER 76 HG SER 76 -12.614 6.899 -4.283 559 H TYR 77 H TYR 77 -9.952 2.841 -3.420 560 HA TYR 77 HA TYR 77 -9.907 2.405 -0.510 561 HB2 TYR 77 1HB TYR 77 -8.870 0.851 -2.823 562 HB3 TYR 77 2HB TYR 77 -7.913 0.827 -1.346 563 HD1 TYR 77 1HD TYR 77 -8.798 -0.189 0.694 564 HD2 TYR 77 2HD TYR 77 -11.035 -0.218 -2.925 565 HE1 TYR 77 1HE TYR 77 -10.275 -1.919 1.629 566 HE2 TYR 77 2HE TYR 77 -12.519 -1.947 -2.000 567 HH TYR 77 HH TYR 77 -13.028 -2.588 0.879 568 H LEU 78 H LEU 78 -8.698 3.794 0.579 569 HA LEU 78 HA LEU 78 -6.508 5.179 -0.775 570 HB2 LEU 78 1HB LEU 78 -7.652 5.689 1.964 571 HB3 LEU 78 2HB LEU 78 -6.553 6.731 1.062 572 HG LEU 78 HG LEU 78 -9.344 6.096 0.128 573 HD11 LEU 78 1HD1 LEU 78 -9.141 7.262 2.418 574 HD12 LEU 78 2HD1 LEU 78 -10.177 7.985 1.188 575 HD13 LEU 78 3HD1 LEU 78 -8.571 8.648 1.489 576 HD21 LEU 78 1HD2 LEU 78 -8.979 8.216 -1.146 577 HD22 LEU 78 2HD2 LEU 78 -7.937 6.879 -1.633 578 HD23 LEU 78 3HD2 LEU 78 -7.296 8.174 -0.622 579 H VAL 79 H VAL 79 -4.735 3.904 -0.757 580 HA VAL 79 HA VAL 79 -3.868 2.816 1.842 581 HB VAL 79 HB VAL 79 -4.246 1.041 0.234 582 HG11 VAL 79 1HG1 VAL 79 -3.483 2.845 -1.666 583 HG12 VAL 79 2HG1 VAL 79 -2.082 1.776 -1.595 584 HG13 VAL 79 3HG1 VAL 79 -3.681 1.114 -1.934 585 HG21 VAL 79 1HG2 VAL 79 -2.469 0.592 1.730 586 HG22 VAL 79 2HG2 VAL 79 -1.897 0.107 0.134 587 HG23 VAL 79 3HG2 VAL 79 -1.357 1.631 0.838 588 H GLN 80 H GLN 80 -1.728 3.083 2.483 589 HA GLN 80 HA GLN 80 -0.109 4.930 0.866 590 HB2 GLN 80 1HB GLN 80 -0.952 5.162 3.714 591 HB3 GLN 80 2HB GLN 80 0.664 5.707 3.287 592 HG2 GLN 80 1HG GLN 80 -0.276 7.227 1.631 593 HG3 GLN 80 2HG GLN 80 -1.899 6.671 2.037 594 HE21 GLN 80 1HE2 GLN 80 -0.619 9.335 2.207 595 HE22 GLN 80 2HE2 GLN 80 -0.844 9.844 3.842 596 H VAL 81 H VAL 81 1.815 4.113 0.403 597 HA VAL 81 HA VAL 81 2.833 1.881 2.007 598 HB VAL 81 HB VAL 81 3.691 2.861 -0.719 599 HG11 VAL 81 1HG1 VAL 81 4.844 0.916 1.162 600 HG12 VAL 81 2HG1 VAL 81 4.679 0.352 -0.502 601 HG13 VAL 81 3HG1 VAL 81 5.603 1.814 -0.152 602 HG21 VAL 81 1HG2 VAL 81 2.657 0.191 -0.656 603 HG22 VAL 81 2HG2 VAL 81 1.484 1.298 0.058 604 HG23 VAL 81 3HG2 VAL 81 2.086 1.584 -1.574 605 H ARG 82 H ARG 82 4.398 2.215 3.431 606 HA ARG 82 HA ARG 82 6.131 4.574 3.088 607 HB2 ARG 82 1HB ARG 82 6.311 4.744 5.466 608 HB3 ARG 82 2HB ARG 82 4.602 4.598 5.078 609 HG2 ARG 82 1HG ARG 82 4.414 2.541 6.031 610 HG3 ARG 82 2HG ARG 82 6.093 2.112 5.699 611 HD2 ARG 82 1HD ARG 82 6.241 2.424 7.949 612 HD3 ARG 82 2HD ARG 82 6.543 4.078 7.417 613 HE ARG 82 HE ARG 82 3.772 3.429 7.945 614 HH11 ARG 82 2HH1 ARG 82 6.758 4.715 9.191 615 HH12 ARG 82 1HH1 ARG 82 5.994 5.603 10.467 616 HH21 ARG 82 2HH2 ARG 82 2.755 4.594 9.621 617 HH22 ARG 82 1HH2 ARG 82 3.717 5.533 10.711 618 H ALA 83 H ALA 83 8.344 4.376 3.638 619 HA ALA 83 HA ALA 83 9.335 1.606 3.499 620 HB1 ALA 83 1HB ALA 83 10.969 4.015 2.786 621 HB2 ALA 83 2HB ALA 83 11.184 2.338 2.284 622 HB3 ALA 83 3HB ALA 83 9.852 3.290 1.630 623 H ARG 84 H ARG 84 10.824 0.877 4.954 624 HA ARG 84 HA ARG 84 11.507 2.713 7.155 625 HB2 ARG 84 1HB ARG 84 9.937 0.759 7.643 626 HB3 ARG 84 2HB ARG 84 11.329 -0.286 7.386 627 HG2 ARG 84 1HG ARG 84 12.503 1.079 9.169 628 HG3 ARG 84 2HG ARG 84 10.921 1.770 9.532 629 HD2 ARG 84 1HD ARG 84 11.020 0.013 11.022 630 HD3 ARG 84 2HD ARG 84 10.166 -0.716 9.662 631 HE ARG 84 HE ARG 84 12.688 -1.355 9.092 632 HH11 ARG 84 2HH1 ARG 84 10.907 -1.554 12.077 633 HH12 ARG 84 1HH1 ARG 84 11.797 -2.918 12.668 634 HH21 ARG 84 2HH2 ARG 84 13.867 -3.151 9.860 635 HH22 ARG 84 1HH2 ARG 84 13.480 -3.825 11.407 636 H SER 85 H SER 85 13.593 2.831 7.847 637 HA SER 85 HA SER 85 15.563 1.102 6.506 638 HB2 SER 85 1HB SER 85 15.317 3.585 5.676 639 HB3 SER 85 2HB SER 85 16.234 3.954 7.137 640 HG SER 85 HG SER 85 17.923 3.408 6.032 641 H GLU 86 H GLU 86 17.800 1.429 7.626 642 HA GLU 86 HA GLU 86 17.744 0.337 10.130 643 HB2 GLU 86 1HB GLU 86 19.792 1.955 8.673 644 HB3 GLU 86 2HB GLU 86 20.079 1.540 10.357 645 HG2 GLU 86 1HG GLU 86 20.254 -0.709 9.918 646 HG3 GLU 86 2HG GLU 86 19.309 -0.601 8.433 647 H ALA 87 H ALA 87 18.208 3.795 9.402 648 HA ALA 87 HA ALA 87 18.402 4.814 11.935 649 HB1 ALA 87 1HB ALA 87 18.598 6.120 9.840 650 HB2 ALA 87 2HB ALA 87 16.840 6.092 9.696 651 HB3 ALA 87 3HB ALA 87 17.601 6.908 11.063 652 H GLY 88 H GLY 88 15.325 4.679 10.119 653 HA2 GLY 88 1HA GLY 88 13.836 3.563 12.242 654 HA3 GLY 88 2HA GLY 88 13.673 5.312 12.282 655 H TYR 89 H TYR 89 11.382 4.808 11.919 656 HA TYR 89 HA TYR 89 10.621 3.761 9.342 657 HB2 TYR 89 1HB TYR 89 9.208 4.668 11.793 658 HB3 TYR 89 2HB TYR 89 8.317 4.764 10.278 659 HD1 TYR 89 2HD TYR 89 8.059 2.654 8.897 660 HD2 TYR 89 1HD TYR 89 9.473 2.614 12.909 661 HE1 TYR 89 2HE TYR 89 7.521 0.260 9.056 662 HE2 TYR 89 1HE TYR 89 8.940 0.219 13.080 663 HH TYR 89 HH TYR 89 8.467 -1.741 10.575 664 H GLY 90 H GLY 90 10.141 4.874 7.543 665 HA2 GLY 90 1HA GLY 90 10.646 7.735 7.541 666 HA3 GLY 90 2HA GLY 90 10.404 6.716 6.130 667 HA PRO 91 HA PRO 91 6.507 9.173 7.436 668 HB2 PRO 91 1HB PRO 91 6.718 11.288 5.746 669 HB3 PRO 91 2HB PRO 91 7.370 11.302 7.389 670 HG2 PRO 91 1HG PRO 91 8.783 10.814 4.796 671 HG3 PRO 91 2HG PRO 91 9.298 11.789 6.185 672 HD2 PRO 91 1HD PRO 91 10.234 9.289 5.733 673 HD3 PRO 91 2HD PRO 91 10.023 9.949 7.368 674 H PHE 92 H PHE 92 4.622 8.967 6.291 675 HA PHE 92 HA PHE 92 4.580 7.284 4.044 676 HB2 PHE 92 1HB PHE 92 2.520 8.965 5.432 677 HB3 PHE 92 2HB PHE 92 2.123 8.169 3.912 678 HD1 PHE 92 1HD PHE 92 2.756 5.607 3.828 679 HD2 PHE 92 2HD PHE 92 2.108 7.845 7.390 680 HE1 PHE 92 1HE PHE 92 2.271 3.524 5.044 681 HE2 PHE 92 2HE PHE 92 1.623 5.765 8.612 682 HZ PHE 92 HZ PHE 92 1.705 3.601 7.440 683 H GLY 93 H GLY 93 3.755 7.738 1.899 684 HA2 GLY 93 1HA GLY 93 4.636 10.391 0.968 685 HA3 GLY 93 2HA GLY 93 4.611 8.932 -0.011 686 H GLN 94 H GLN 94 3.422 10.005 -1.634 687 HA GLN 94 HA GLN 94 0.955 11.301 -1.161 688 HB2 GLN 94 1HB GLN 94 2.376 10.251 -3.566 689 HB3 GLN 94 2HB GLN 94 0.672 10.660 -3.714 690 HG2 GLN 94 1HG GLN 94 1.796 12.586 -4.376 691 HG3 GLN 94 2HG GLN 94 1.295 12.917 -2.719 692 HE21 GLN 94 1HE2 GLN 94 2.789 13.998 -1.672 693 HE22 GLN 94 2HE2 GLN 94 4.497 13.761 -1.788 694 H GLU 95 H GLU 95 -1.089 10.562 -1.037 695 HA GLU 95 HA GLU 95 -1.697 7.998 -0.276 696 HB2 GLU 95 1HB GLU 95 -3.509 9.920 -1.747 697 HB3 GLU 95 2HB GLU 95 -4.042 8.524 -0.821 698 HG2 GLU 95 1HG GLU 95 -2.356 10.546 0.547 699 HG3 GLU 95 2HG GLU 95 -4.035 10.953 0.198 700 H HIS 96 H HIS 96 -2.140 6.100 -1.252 701 HA HIS 96 HA HIS 96 -1.763 5.982 -4.156 702 HB2 HIS 96 1HB HIS 96 -0.324 4.570 -2.679 703 HB3 HIS 96 2HB HIS 96 -1.771 3.709 -2.161 704 HD1 HIS 96 1HD HIS 96 -1.355 4.667 -5.749 705 HD2 HIS 96 2HD HIS 96 -0.894 1.321 -3.329 706 HE1 HIS 96 1HE HIS 96 -1.069 2.729 -7.327 707 HE2 HIS 96 2HE HIS 96 -0.877 0.705 -5.841 708 H HIS 97 H HIS 97 -3.422 5.637 -5.472 709 HA HIS 97 HA HIS 97 -5.938 4.637 -4.313 710 HB2 HIS 97 1HB HIS 97 -5.707 6.205 -6.876 711 HB3 HIS 97 2HB HIS 97 -7.143 5.924 -5.896 712 HD1 HIS 97 1HD HIS 97 -4.066 8.045 -6.081 713 HD2 HIS 97 2HD HIS 97 -7.468 7.653 -3.728 714 HE1 HIS 97 1HE HIS 97 -4.120 10.098 -4.629 715 HE2 HIS 97 2HE HIS 97 -6.139 9.797 -3.154 716 H SER 98 H SER 98 -6.037 2.509 -4.699 717 HA SER 98 HA SER 98 -4.795 1.106 -6.745 718 HB2 SER 98 1HB SER 98 -7.372 0.384 -5.327 719 HB3 SER 98 2HB SER 98 -6.336 -0.732 -6.216 720 HG SER 98 HG SER 98 -4.652 0.102 -4.654 721 H GLN 99 H GLN 99 -5.246 0.687 -8.827 722 HA GLN 99 HA GLN 99 -7.391 2.163 -10.080 723 HB2 GLN 99 1HB GLN 99 -5.224 2.137 -11.164 724 HB3 GLN 99 2HB GLN 99 -5.238 0.379 -11.226 725 HG2 GLN 99 1HG GLN 99 -7.380 0.665 -12.624 726 HG3 GLN 99 2HG GLN 99 -6.843 2.332 -12.822 727 HE21 GLN 99 1HE2 GLN 99 -4.512 2.539 -13.528 728 HE22 GLN 99 2HE2 GLN 99 -3.981 1.455 -14.764 729 H THR 100 H THR 100 -9.125 0.953 -9.038 730 HA THR 100 HA THR 100 -9.528 -1.767 -10.042 731 HB THR 100 HB THR 100 -11.452 -1.837 -8.471 732 HG1 THR 100 1HG THR 100 -11.900 0.406 -8.384 733 HG21 THR 100 1HG2 THR 100 -9.630 -2.774 -7.445 734 HG22 THR 100 2HG2 THR 100 -9.915 -1.419 -6.353 735 HG23 THR 100 3HG2 THR 100 -8.660 -1.309 -7.586 736 H GLN 101 H GLN 101 -9.971 -1.137 -12.224 737 HA GLN 101 HA GLN 101 -11.260 -0.451 -13.983 738 HB2 GLN 101 1HB GLN 101 -13.375 -1.418 -12.055 739 HB3 GLN 101 2HB GLN 101 -13.674 -1.072 -13.753 740 HG2 GLN 101 1HG GLN 101 -12.531 -2.914 -14.477 741 HG3 GLN 101 2HG GLN 101 -11.500 -2.972 -13.048 742 HE21 GLN 101 1HE2 GLN 101 -12.083 -5.282 -13.218 743 HE22 GLN 101 2HE2 GLN 101 -13.526 -5.815 -12.431 744 H LEU 102 H LEU 102 -10.513 1.678 -12.309 745 HA LEU 102 HA LEU 102 -12.631 3.557 -12.953 746 HB2 LEU 102 1HB LEU 102 -11.613 3.106 -10.160 747 HB3 LEU 102 2HB LEU 102 -12.411 4.597 -10.655 748 HG LEU 102 HG LEU 102 -13.728 1.902 -10.894 749 HD11 LEU 102 1HD1 LEU 102 -13.816 1.824 -8.672 750 HD12 LEU 102 2HD1 LEU 102 -14.899 3.212 -8.764 751 HD13 LEU 102 3HD1 LEU 102 -13.171 3.457 -8.509 752 HD21 LEU 102 1HD2 LEU 102 -14.443 4.173 -12.069 753 HD22 LEU 102 2HD2 LEU 102 -15.179 4.459 -10.491 754 HD23 LEU 102 3HD2 LEU 102 -15.627 3.033 -11.429 755 H ASP 103 H ASP 103 -11.749 5.278 -13.878 756 HA ASP 103 HA ASP 103 -8.933 5.640 -14.000 757 HB2 ASP 103 1HB ASP 103 -10.866 6.349 -15.661 758 HB3 ASP 103 2HB ASP 103 -10.808 7.846 -14.735 759 H SER 104 H SER 104 -7.600 6.955 -12.886 760 HA SER 104 HA SER 104 -8.708 8.285 -10.538 761 HB2 SER 104 1HB SER 104 -6.765 6.756 -10.286 762 HB3 SER 104 2HB SER 104 -5.812 7.837 -11.302 763 HG SER 104 HG SER 104 -6.962 8.418 -8.775 764 H GLY 105 H GLY 105 -6.656 9.023 -13.341 765 HA2 GLY 105 1HA GLY 105 -7.072 11.130 -14.509 766 HA3 GLY 105 2HA GLY 105 -7.323 11.872 -12.935 767 HA PRO 106 HA PRO 106 -2.570 11.043 -13.242 768 HB2 PRO 106 1HB PRO 106 -1.634 10.156 -15.631 769 HB3 PRO 106 2HB PRO 106 -2.149 9.067 -14.337 770 HG2 PRO 106 1HG PRO 106 -3.642 9.950 -16.777 771 HG3 PRO 106 2HG PRO 106 -3.529 8.333 -16.058 772 HD2 PRO 106 1HD PRO 106 -5.672 9.946 -15.686 773 HD3 PRO 106 2HD PRO 106 -5.114 8.799 -14.451 774 H SER 107 H SER 107 -1.433 12.866 -13.461 775 HA SER 107 HA SER 107 -1.652 14.405 -15.949 776 HB2 SER 107 1HB SER 107 -3.202 15.318 -14.159 777 HB3 SER 107 2HB SER 107 -1.757 15.717 -13.229 778 HG SER 107 HG SER 107 -2.464 17.482 -14.495 779 H SER 108 H SER 108 0.041 16.161 -16.038 780 HA SER 108 HA SER 108 2.579 15.117 -15.913 781 HB2 SER 108 1HB SER 108 1.535 17.925 -15.993 782 HB3 SER 108 2HB SER 108 3.266 17.652 -15.799 783 HG SER 108 HG SER 108 2.200 17.799 -18.035 784 H GLY 109 H GLY 109 4.449 15.978 -14.593 785 HA2 GLY 109 1HA GLY 109 4.154 15.253 -11.917 786 HA3 GLY 109 2HA GLY 109 5.512 16.159 -12.568
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