NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
584355 | 2mwe | 25314 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 433 HT1 SER 433 -9.005 4.820 6.766 2 HA SER 433 HA SER 433 -8.896 1.892 6.353 3 HB2 SER 433 HB2 SER 433 -11.284 3.750 6.320 4 HB3 SER 433 HB1 SER 433 -11.296 1.985 6.294 5 HG SER 433 HG SER 433 -11.509 2.233 8.382 6 H GLU 434 HN GLU 434 -8.208 4.765 4.915 7 HA GLU 434 HA GLU 434 -9.517 4.227 2.366 8 HB2 GLU 434 HB2 GLU 434 -8.601 6.421 1.691 9 HB3 GLU 434 HB1 GLU 434 -9.573 6.520 3.150 10 HG2 GLU 434 HG2 GLU 434 -6.568 6.373 3.170 11 HG3 GLU 434 HG1 GLU 434 -7.470 7.885 3.140 12 H TRP 435 HN TRP 435 -6.541 3.668 3.908 13 HA TRP 435 HA TRP 435 -5.051 3.409 1.426 14 HB2 TRP 435 HB2 TRP 435 -4.239 2.854 4.293 15 HB3 TRP 435 HB1 TRP 435 -3.164 2.764 2.903 16 HD1 TRP 435 HD1 TRP 435 -5.032 5.309 5.077 17 HE1 TRP 435 HE1 TRP 435 -3.989 7.636 4.719 18 HE3 TRP 435 HE3 TRP 435 -1.825 4.171 1.261 19 HZ2 TRP 435 HZ2 TRP 435 -2.046 8.821 3.051 20 HZ3 TRP 435 HZ3 TRP 435 -0.408 5.963 0.342 21 HH2 TRP 435 HH2 TRP 435 -0.518 8.239 1.220 22 H THR 436 HN THR 436 -5.083 1.602 0.281 23 HA THR 436 HA THR 436 -6.187 -0.819 1.462 24 HB THR 436 HB THR 436 -5.423 -0.183 -1.395 25 HG1 THR 436 HG1 THR 436 -7.699 0.201 0.127 26 HG21 THR 436 HG21 THR 436 -5.241 -2.587 -0.965 27 HG22 THR 436 HG22 THR 436 -6.643 -2.243 -1.983 28 HG23 THR 436 HG23 THR 436 -6.864 -2.593 -0.269 29 H GLU 437 HN GLU 437 -4.904 -2.394 2.226 30 HA GLU 437 HA GLU 437 -2.109 -2.441 1.417 31 HB2 GLU 437 HB2 GLU 437 -1.850 -4.228 3.092 32 HB3 GLU 437 HB1 GLU 437 -2.580 -2.791 3.793 33 HG2 GLU 437 HG2 GLU 437 -4.691 -3.800 3.931 34 HG3 GLU 437 HG1 GLU 437 -4.226 -5.109 2.844 35 H ARG 438 HN ARG 438 -1.550 -3.502 -0.336 36 HA ARG 438 HA ARG 438 -3.504 -5.352 -1.458 37 HB2 ARG 438 HB2 ARG 438 -1.170 -3.852 -2.640 38 HB3 ARG 438 HB1 ARG 438 -1.993 -5.143 -3.516 39 HG2 ARG 438 HG2 ARG 438 -4.069 -3.945 -3.460 40 HG3 ARG 438 HG1 ARG 438 -3.380 -2.713 -2.404 41 HD2 ARG 438 HD2 ARG 438 -3.548 -1.961 -4.736 42 HD3 ARG 438 HD1 ARG 438 -1.883 -1.996 -4.162 43 HE ARG 438 HE ARG 438 -2.240 -4.423 -5.373 44 HH11 ARG 438 HH11 ARG 438 -2.686 -1.099 -6.386 45 HH12 ARG 438 HH12 ARG 438 -2.222 -1.398 -8.034 46 HH21 ARG 438 HH21 ARG 438 -1.630 -4.824 -7.523 47 HH22 ARG 438 HH22 ARG 438 -1.653 -3.533 -8.684 48 H LYS 439 HN LYS 439 -3.300 -7.372 -1.010 49 HA LYS 439 HA LYS 439 -0.765 -8.379 -0.025 50 HB2 LYS 439 HB2 LYS 439 -3.451 -9.765 -0.166 51 HB3 LYS 439 HB1 LYS 439 -2.035 -10.322 0.710 52 HG2 LYS 439 HG2 LYS 439 -2.200 -8.476 2.250 53 HG3 LYS 439 HG1 LYS 439 -3.526 -7.777 1.316 54 HD2 LYS 439 HD2 LYS 439 -4.885 -9.772 1.777 55 HD3 LYS 439 HD1 LYS 439 -3.565 -10.442 2.734 56 HE2 LYS 439 HE2 LYS 439 -4.957 -7.835 3.336 57 HE3 LYS 439 HE1 LYS 439 -5.368 -9.377 4.082 58 HZ1 LYS 439 HZ1 LYS 439 -3.936 -8.239 5.556 59 HZ2 LYS 439 HZ2 LYS 439 -2.829 -7.867 4.337 60 HZ3 LYS 439 HZ3 LYS 439 -3.004 -9.474 4.860 61 H THR 440 HN THR 440 0.411 -8.511 -1.918 62 HA THR 440 HA THR 440 -0.490 -10.372 -3.962 63 HB THR 440 HB THR 440 1.773 -9.935 -4.989 64 HG1 THR 440 HG1 THR 440 2.118 -8.659 -2.593 65 HG21 THR 440 HG21 THR 440 -0.224 -8.724 -5.705 66 HG22 THR 440 HG22 THR 440 1.200 -7.686 -5.758 67 HG23 THR 440 HG23 THR 440 0.042 -7.526 -4.438 68 H ALA 441 HN ALA 441 0.233 -12.411 -4.272 69 HA ALA 441 HA ALA 441 1.239 -13.807 -2.006 70 HB1 ALA 441 HB1 ALA 441 -0.359 -14.792 -3.594 71 HB2 ALA 441 HB2 ALA 441 1.077 -15.793 -3.387 72 HB3 ALA 441 HB3 ALA 441 0.895 -14.801 -4.833 73 H ASP 442 HN ASP 442 2.857 -11.878 -3.998 74 HA ASP 442 HA ASP 442 5.241 -13.363 -4.494 75 HB2 ASP 442 HB2 ASP 442 4.540 -11.350 -5.786 76 HB3 ASP 442 HB1 ASP 442 4.827 -10.366 -4.356 77 H GLY 443 HN GLY 443 3.820 -12.296 -1.722 78 HA2 GLY 443 HA2 GLY 443 4.655 -12.621 0.442 79 HA3 GLY 443 HA1 GLY 443 6.286 -12.635 -0.210 80 H LYS 444 HN LYS 444 3.931 -10.130 -0.921 81 HA LYS 444 HA LYS 444 5.066 -8.367 1.081 82 HB2 LYS 444 HB2 LYS 444 5.590 -6.593 -0.589 83 HB3 LYS 444 HB1 LYS 444 6.650 -7.990 -0.674 84 HG2 LYS 444 HG2 LYS 444 5.727 -8.715 -2.689 85 HG3 LYS 444 HG1 LYS 444 4.275 -7.729 -2.484 86 HD2 LYS 444 HD2 LYS 444 5.590 -5.703 -2.778 87 HD3 LYS 444 HD1 LYS 444 7.062 -6.662 -2.933 88 HE2 LYS 444 HE2 LYS 444 4.805 -7.259 -4.770 89 HE3 LYS 444 HE1 LYS 444 5.722 -5.780 -5.045 90 HZ1 LYS 444 HZ1 LYS 444 6.618 -7.621 -6.316 91 HZ2 LYS 444 HZ2 LYS 444 6.869 -8.528 -4.902 92 HZ3 LYS 444 HZ3 LYS 444 7.745 -7.095 -5.161 93 H THR 445 HN THR 445 3.638 -6.926 1.817 94 HA THR 445 HA THR 445 1.221 -6.407 0.211 95 HB THR 445 HB THR 445 0.706 -7.475 2.379 96 HG1 THR 445 HG1 THR 445 -0.806 -5.890 3.068 97 HG21 THR 445 HG21 THR 445 2.619 -6.689 3.678 98 HG22 THR 445 HG22 THR 445 1.104 -6.277 4.482 99 HG23 THR 445 HG23 THR 445 2.003 -5.039 3.607 100 H TYR 446 HN TYR 446 0.581 -4.226 -0.059 101 HA TYR 446 HA TYR 446 2.363 -2.183 1.011 102 HB2 TYR 446 HB2 TYR 446 2.539 -1.190 -1.357 103 HB3 TYR 446 HB1 TYR 446 3.575 -2.550 -0.951 104 HD1 TYR 446 HD1 TYR 446 0.654 -1.475 -2.913 105 HD2 TYR 446 HD2 TYR 446 3.312 -4.680 -2.040 106 HE1 TYR 446 HE1 TYR 446 -0.135 -2.669 -4.907 107 HE2 TYR 446 HE2 TYR 446 2.518 -5.888 -4.029 108 HH TYR 446 HH TYR 446 0.560 -5.945 -5.489 109 H TYR 447 HN TYR 447 1.446 -0.166 1.178 110 HA TYR 447 HA TYR 447 -1.460 -0.267 1.013 111 HB2 TYR 447 HB2 TYR 447 0.090 2.028 2.179 112 HB3 TYR 447 HB1 TYR 447 -1.520 1.452 2.598 113 HD1 TYR 447 HD1 TYR 447 -1.148 -1.384 3.115 114 HD2 TYR 447 HD2 TYR 447 1.413 1.880 4.067 115 HE1 TYR 447 HE1 TYR 447 -0.167 -2.691 4.958 116 HE2 TYR 447 HE2 TYR 447 2.387 0.581 5.912 117 HH TYR 447 HH TYR 447 1.783 -2.787 6.311 118 H TYR 448 HN TYR 448 -1.911 0.045 -1.101 119 HA TYR 448 HA TYR 448 -0.804 2.350 -2.485 120 HB2 TYR 448 HB2 TYR 448 -1.218 -0.072 -3.451 121 HB3 TYR 448 HB1 TYR 448 -2.847 0.544 -3.710 122 HD1 TYR 448 HD1 TYR 448 -2.945 2.903 -4.934 123 HD2 TYR 448 HD2 TYR 448 0.338 0.202 -5.128 124 HE1 TYR 448 HE1 TYR 448 -2.197 3.967 -7.019 125 HE2 TYR 448 HE2 TYR 448 1.095 1.262 -7.214 126 HH TYR 448 HH TYR 448 0.106 4.210 -8.239 127 H ASN 449 HN ASN 449 -1.777 4.210 -2.552 128 HA ASN 449 HA ASN 449 -4.707 4.312 -2.490 129 HB2 ASN 449 HB2 ASN 449 -3.713 4.865 -0.215 130 HB3 ASN 449 HB1 ASN 449 -2.947 6.254 -0.972 131 HD21 ASN 449 HD21 ASN 449 -4.865 6.205 1.180 132 HD22 ASN 449 HD22 ASN 449 -6.239 7.105 0.644 133 H ASN 450 HN ASN 450 -5.519 5.625 -4.005 134 HA ASN 450 HA ASN 450 -3.856 6.718 -6.015 135 HB2 ASN 450 HB2 ASN 450 -6.183 5.919 -6.387 136 HB3 ASN 450 HB1 ASN 450 -6.777 7.304 -5.480 137 HD21 ASN 450 HD21 ASN 450 -4.084 7.347 -7.751 138 HD22 ASN 450 HD22 ASN 450 -4.851 8.373 -8.917 139 H ARG 451 HN ARG 451 -4.856 7.931 -2.998 140 HA ARG 451 HA ARG 451 -4.952 10.679 -3.375 141 HB2 ARG 451 HB2 ARG 451 -5.407 9.437 -1.243 142 HB3 ARG 451 HB1 ARG 451 -3.671 9.267 -1.031 143 HG2 ARG 451 HG2 ARG 451 -3.431 11.681 -0.902 144 HG3 ARG 451 HG1 ARG 451 -5.164 11.878 -1.174 145 HD2 ARG 451 HD2 ARG 451 -5.559 10.521 0.888 146 HD3 ARG 451 HD1 ARG 451 -3.822 10.561 1.182 147 HE ARG 451 HE ARG 451 -4.719 13.195 0.841 148 HH11 ARG 451 HH11 ARG 451 -4.996 10.554 3.140 149 HH12 ARG 451 HH12 ARG 451 -5.294 11.594 4.489 150 HH21 ARG 451 HH21 ARG 451 -5.125 14.559 2.618 151 HH22 ARG 451 HH22 ARG 451 -5.367 13.878 4.202 152 H THR 452 HN THR 452 -2.156 8.567 -2.957 153 HA THR 452 HA THR 452 -0.418 10.771 -3.856 154 HB THR 452 HB THR 452 0.474 8.213 -2.504 155 HG1 THR 452 HG1 THR 452 0.393 10.673 -1.135 156 HG21 THR 452 HG21 THR 452 2.212 9.398 -3.761 157 HG22 THR 452 HG22 THR 452 2.512 9.500 -2.026 158 HG23 THR 452 HG23 THR 452 1.840 10.885 -2.887 159 H ALA 453 HN ALA 453 -1.968 7.997 -4.862 160 HA ALA 453 HA ALA 453 -1.836 6.586 -6.635 161 HB1 ALA 453 HB1 ALA 453 0.048 8.672 -7.737 162 HB2 ALA 453 HB2 ALA 453 -1.705 8.651 -7.929 163 HB3 ALA 453 HB3 ALA 453 -0.721 7.384 -8.665 164 H GLU 454 HN GLU 454 -0.069 6.257 -4.384 165 HA GLU 454 HA GLU 454 2.211 4.881 -5.633 166 HB2 GLU 454 HB2 GLU 454 3.107 7.010 -4.987 167 HB3 GLU 454 HB1 GLU 454 2.315 6.936 -3.423 168 HG2 GLU 454 HG2 GLU 454 4.638 6.537 -3.109 169 HG3 GLU 454 HG1 GLU 454 3.778 5.028 -2.826 170 H SER 455 HN SER 455 3.045 3.155 -4.456 171 HA SER 455 HA SER 455 1.296 2.087 -2.386 172 HB2 SER 455 HB2 SER 455 2.857 0.079 -2.609 173 HB3 SER 455 HB1 SER 455 1.882 0.467 -4.026 174 HG SER 455 HG SER 455 4.411 1.640 -3.801 175 H THR 456 HN THR 456 1.672 2.600 -0.365 176 HA THR 456 HA THR 456 4.284 3.603 0.427 177 HB THR 456 HB THR 456 1.729 3.408 2.043 178 HG1 THR 456 HG1 THR 456 1.466 4.779 0.237 179 HG21 THR 456 HG21 THR 456 2.792 5.131 3.444 180 HG22 THR 456 HG22 THR 456 4.254 5.010 2.468 181 HG23 THR 456 HG23 THR 456 3.724 3.633 3.435 182 H TRP 457 HN TRP 457 5.724 2.458 1.509 183 HA TRP 457 HA TRP 457 4.952 -0.201 2.493 184 HB2 TRP 457 HB2 TRP 457 7.742 0.848 1.969 185 HB3 TRP 457 HB1 TRP 457 7.266 -0.826 2.242 186 HD1 TRP 457 HD1 TRP 457 7.175 1.907 -0.444 187 HE1 TRP 457 HE1 TRP 457 6.712 0.814 -2.727 188 HE3 TRP 457 HE3 TRP 457 6.249 -2.869 1.129 189 HZ2 TRP 457 HZ2 TRP 457 6.046 -1.739 -3.722 190 HZ3 TRP 457 HZ3 TRP 457 5.715 -4.578 -0.555 191 HH2 TRP 457 HH2 TRP 457 5.619 -4.024 -2.933 192 H GLU 458 HN GLU 458 5.994 2.904 3.440 193 HA GLU 458 HA GLU 458 7.250 2.262 5.896 194 HB2 GLU 458 HB2 GLU 458 7.565 4.403 4.680 195 HB3 GLU 458 HB1 GLU 458 5.901 4.836 5.045 196 HG2 GLU 458 HG2 GLU 458 7.507 5.937 6.525 197 HG3 GLU 458 HG1 GLU 458 6.389 4.895 7.403 198 H LYS 459 HN LYS 459 6.447 2.492 7.997 199 HA LYS 459 HA LYS 459 3.749 1.538 8.327 200 HB2 LYS 459 HB2 LYS 459 5.889 2.219 10.346 201 HB3 LYS 459 HB1 LYS 459 4.355 1.456 10.732 202 HG2 LYS 459 HG2 LYS 459 6.329 0.240 8.820 203 HG3 LYS 459 HG1 LYS 459 6.377 -0.052 10.559 204 HD2 LYS 459 HD2 LYS 459 5.159 -1.856 9.702 205 HD3 LYS 459 HD1 LYS 459 3.927 -0.759 10.323 206 HE2 LYS 459 HE2 LYS 459 3.143 -1.493 8.227 207 HE3 LYS 459 HE1 LYS 459 3.740 0.146 7.973 208 HZ1 LYS 459 HZ1 LYS 459 4.473 -1.265 6.197 209 HZ2 LYS 459 HZ2 LYS 459 5.144 -2.379 7.277 210 HZ3 LYS 459 HZ3 LYS 459 5.828 -0.834 7.124 211 HA PRO 460 HA PRO 460 2.272 5.762 9.185 212 HB2 PRO 460 HB2 PRO 460 -0.398 4.663 9.066 213 HB3 PRO 460 HB1 PRO 460 0.373 5.796 7.956 214 HG2 PRO 460 HG2 PRO 460 -0.287 3.213 7.315 215 HG3 PRO 460 HG1 PRO 460 0.978 4.153 6.507 216 HD2 PRO 460 HD2 PRO 460 1.229 2.028 8.590 217 HD3 PRO 460 HD1 PRO 460 2.269 2.388 7.195 Start of MODEL 2 1 H SER 433 HT1 SER 433 -10.301 4.438 6.600 2 HA SER 433 HA SER 433 -10.398 2.815 4.765 3 HB2 SER 433 HB2 SER 433 -11.910 5.354 4.120 4 HB3 SER 433 HB1 SER 433 -12.445 3.685 3.914 5 HG SER 433 HG SER 433 -13.066 3.639 5.930 6 H GLU 434 HN GLU 434 -8.173 5.014 4.278 7 HA GLU 434 HA GLU 434 -8.493 5.266 1.366 8 HB2 GLU 434 HB2 GLU 434 -8.359 7.361 2.625 9 HB3 GLU 434 HB1 GLU 434 -6.838 6.853 3.339 10 HG2 GLU 434 HG2 GLU 434 -5.717 7.022 1.247 11 HG3 GLU 434 HG1 GLU 434 -7.240 7.277 0.393 12 H TRP 435 HN TRP 435 -6.933 3.393 3.597 13 HA TRP 435 HA TRP 435 -4.434 3.251 2.067 14 HB2 TRP 435 HB2 TRP 435 -4.980 2.246 4.869 15 HB3 TRP 435 HB1 TRP 435 -3.412 2.293 4.061 16 HD1 TRP 435 HD1 TRP 435 -4.806 4.061 6.734 17 HE1 TRP 435 HE1 TRP 435 -4.184 6.572 6.773 18 HE3 TRP 435 HE3 TRP 435 -3.219 4.599 1.913 19 HZ2 TRP 435 HZ2 TRP 435 -3.176 8.504 5.006 20 HZ3 TRP 435 HZ3 TRP 435 -2.458 6.806 1.167 21 HH2 TRP 435 HH2 TRP 435 -2.438 8.720 2.673 22 H THR 436 HN THR 436 -4.356 1.685 0.630 23 HA THR 436 HA THR 436 -6.011 -0.688 0.938 24 HB THR 436 HB THR 436 -4.204 0.208 -1.318 25 HG1 THR 436 HG1 THR 436 -6.623 0.976 -0.651 26 HG21 THR 436 HG21 THR 436 -5.242 -1.601 -2.640 27 HG22 THR 436 HG22 THR 436 -6.070 -2.171 -1.194 28 HG23 THR 436 HG23 THR 436 -4.308 -2.232 -1.281 29 H GLU 437 HN GLU 437 -5.262 -2.565 1.690 30 HA GLU 437 HA GLU 437 -2.397 -3.003 1.910 31 HB2 GLU 437 HB2 GLU 437 -3.077 -5.171 2.966 32 HB3 GLU 437 HB1 GLU 437 -3.692 -3.755 3.804 33 HG2 GLU 437 HG2 GLU 437 -5.870 -4.158 3.175 34 HG3 GLU 437 HG1 GLU 437 -5.399 -5.100 1.763 35 H ARG 438 HN ARG 438 -1.366 -3.684 0.103 36 HA ARG 438 HA ARG 438 -2.955 -5.309 -1.754 37 HB2 ARG 438 HB2 ARG 438 -0.509 -3.599 -2.190 38 HB3 ARG 438 HB1 ARG 438 -1.044 -4.793 -3.374 39 HG2 ARG 438 HG2 ARG 438 -3.256 -3.657 -3.434 40 HG3 ARG 438 HG1 ARG 438 -2.593 -2.411 -2.379 41 HD2 ARG 438 HD2 ARG 438 -2.549 -1.713 -4.717 42 HD3 ARG 438 HD1 ARG 438 -0.920 -1.857 -4.057 43 HE ARG 438 HE ARG 438 -1.221 -4.250 -5.198 44 HH11 ARG 438 HH11 ARG 438 -2.061 -1.081 -6.424 45 HH12 ARG 438 HH12 ARG 438 -1.686 -1.466 -8.074 46 HH21 ARG 438 HH21 ARG 438 -0.711 -4.765 -7.357 47 HH22 ARG 438 HH22 ARG 438 -0.888 -3.567 -8.607 48 H LYS 439 HN LYS 439 -2.830 -7.279 -1.070 49 HA LYS 439 HA LYS 439 -0.278 -8.324 -0.121 50 HB2 LYS 439 HB2 LYS 439 -2.373 -8.454 1.283 51 HB3 LYS 439 HB1 LYS 439 -3.010 -9.585 0.101 52 HG2 LYS 439 HG2 LYS 439 -1.326 -11.187 0.618 53 HG3 LYS 439 HG1 LYS 439 -0.456 -10.025 1.626 54 HD2 LYS 439 HD2 LYS 439 -3.216 -11.136 2.158 55 HD3 LYS 439 HD1 LYS 439 -1.733 -11.574 3.013 56 HE2 LYS 439 HE2 LYS 439 -1.508 -9.289 3.828 57 HE3 LYS 439 HE1 LYS 439 -2.944 -8.808 2.927 58 HZ1 LYS 439 HZ1 LYS 439 -4.246 -10.340 4.288 59 HZ2 LYS 439 HZ2 LYS 439 -3.473 -9.170 5.241 60 HZ3 LYS 439 HZ3 LYS 439 -2.859 -10.750 5.175 61 H THR 440 HN THR 440 0.758 -8.752 -1.993 62 HA THR 440 HA THR 440 -0.472 -10.508 -3.956 63 HB THR 440 HB THR 440 1.715 -10.294 -5.154 64 HG1 THR 440 HG1 THR 440 2.576 -8.170 -3.670 65 HG21 THR 440 HG21 THR 440 -0.132 -8.746 -5.624 66 HG22 THR 440 HG22 THR 440 1.436 -7.954 -5.786 67 HG23 THR 440 HG23 THR 440 0.450 -7.672 -4.352 68 H ALA 441 HN ALA 441 0.406 -12.540 -4.559 69 HA ALA 441 HA ALA 441 0.982 -14.141 -2.273 70 HB1 ALA 441 HB1 ALA 441 0.907 -16.019 -3.805 71 HB2 ALA 441 HB2 ALA 441 0.963 -14.920 -5.184 72 HB3 ALA 441 HB3 ALA 441 -0.437 -14.919 -4.110 73 H ASP 442 HN ASP 442 3.011 -12.224 -3.918 74 HA ASP 442 HA ASP 442 5.337 -13.913 -4.000 75 HB2 ASP 442 HB2 ASP 442 5.157 -11.913 -5.438 76 HB3 ASP 442 HB1 ASP 442 5.095 -10.891 -4.007 77 H GLY 443 HN GLY 443 3.493 -12.586 -1.593 78 HA2 GLY 443 HA2 GLY 443 3.838 -12.952 0.693 79 HA3 GLY 443 HA1 GLY 443 5.551 -13.182 0.376 80 H LYS 444 HN LYS 444 3.661 -10.448 -0.770 81 HA LYS 444 HA LYS 444 4.911 -8.784 1.288 82 HB2 LYS 444 HB2 LYS 444 5.491 -7.053 -0.371 83 HB3 LYS 444 HB1 LYS 444 6.384 -8.546 -0.616 84 HG2 LYS 444 HG2 LYS 444 5.240 -9.061 -2.563 85 HG3 LYS 444 HG1 LYS 444 3.881 -8.008 -2.163 86 HD2 LYS 444 HD2 LYS 444 5.142 -6.975 -3.917 87 HD3 LYS 444 HD1 LYS 444 5.395 -6.051 -2.438 88 HE2 LYS 444 HE2 LYS 444 7.510 -6.240 -3.472 89 HE3 LYS 444 HE1 LYS 444 7.520 -7.374 -2.121 90 HZ1 LYS 444 HZ1 LYS 444 8.438 -8.207 -4.300 91 HZ2 LYS 444 HZ2 LYS 444 6.846 -8.209 -4.882 92 HZ3 LYS 444 HZ3 LYS 444 7.271 -9.193 -3.569 93 H THR 445 HN THR 445 3.590 -7.394 2.182 94 HA THR 445 HA THR 445 1.089 -6.691 0.784 95 HB THR 445 HB THR 445 1.508 -6.733 3.779 96 HG1 THR 445 HG1 THR 445 1.374 -8.822 2.204 97 HG21 THR 445 HG21 THR 445 -0.986 -6.624 2.075 98 HG22 THR 445 HG22 THR 445 -0.308 -5.294 3.012 99 HG23 THR 445 HG23 THR 445 -0.953 -6.714 3.834 100 H TYR 446 HN TYR 446 0.722 -4.493 0.502 101 HA TYR 446 HA TYR 446 2.483 -2.642 1.907 102 HB2 TYR 446 HB2 TYR 446 3.146 -1.592 -0.311 103 HB3 TYR 446 HB1 TYR 446 3.915 -3.117 0.097 104 HD1 TYR 446 HD2 TYR 446 3.418 -5.140 -1.164 105 HD2 TYR 446 HD1 TYR 446 1.589 -1.438 -2.174 106 HE1 TYR 446 HE2 TYR 446 2.772 -6.061 -3.349 107 HE2 TYR 446 HE1 TYR 446 0.958 -2.338 -4.367 108 HH TYR 446 HH TYR 446 1.688 -4.114 -5.908 109 H TYR 447 HN TYR 447 1.855 -0.449 1.748 110 HA TYR 447 HA TYR 447 -1.034 -0.258 1.445 111 HB2 TYR 447 HB2 TYR 447 0.939 1.759 2.549 112 HB3 TYR 447 HB1 TYR 447 -0.808 1.912 2.584 113 HD1 TYR 447 HD1 TYR 447 -0.185 -1.461 3.238 114 HD2 TYR 447 HD2 TYR 447 0.151 2.380 5.041 115 HE1 TYR 447 HE1 TYR 447 -0.212 -2.505 5.465 116 HE2 TYR 447 HE2 TYR 447 0.120 1.337 7.267 117 HH TYR 447 HH TYR 447 -0.707 -0.782 8.303 118 H TYR 448 HN TYR 448 -1.674 0.214 -0.571 119 HA TYR 448 HA TYR 448 -0.152 2.115 -2.158 120 HB2 TYR 448 HB2 TYR 448 -1.311 0.010 -3.097 121 HB3 TYR 448 HB1 TYR 448 -2.812 0.916 -2.924 122 HD1 TYR 448 HD2 TYR 448 0.347 0.644 -4.747 123 HD2 TYR 448 HD1 TYR 448 -3.288 2.823 -4.377 124 HE1 TYR 448 HE2 TYR 448 0.766 1.702 -6.923 125 HE2 TYR 448 HE1 TYR 448 -2.876 3.892 -6.557 126 HH TYR 448 HH TYR 448 -0.920 4.406 -8.013 127 H ASN 449 HN ASN 449 -0.572 4.207 -2.191 128 HA ASN 449 HA ASN 449 -2.824 5.201 -0.636 129 HB2 ASN 449 HB2 ASN 449 -0.493 6.103 -0.334 130 HB3 ASN 449 HB1 ASN 449 -0.579 6.745 -1.967 131 HD21 ASN 449 HD21 ASN 449 -0.270 8.048 0.648 132 HD22 ASN 449 HD22 ASN 449 -1.557 9.192 0.776 133 H ASN 450 HN ASN 450 -4.683 5.362 -1.714 134 HA ASN 450 HA ASN 450 -4.678 5.654 -4.586 135 HB2 ASN 450 HB2 ASN 450 -7.164 5.456 -4.364 136 HB3 ASN 450 HB1 ASN 450 -6.263 4.102 -3.703 137 HD21 ASN 450 HD21 ASN 450 -6.773 7.245 -2.129 138 HD22 ASN 450 HD22 ASN 450 -7.705 6.617 -0.820 139 H ARG 451 HN ARG 451 -4.437 7.843 -2.146 140 HA ARG 451 HA ARG 451 -6.191 9.856 -3.263 141 HB2 ARG 451 HB2 ARG 451 -5.594 9.623 -0.789 142 HB3 ARG 451 HB1 ARG 451 -4.029 10.302 -1.215 143 HG2 ARG 451 HG2 ARG 451 -5.138 12.319 -2.052 144 HG3 ARG 451 HG1 ARG 451 -6.700 11.636 -1.591 145 HD2 ARG 451 HD2 ARG 451 -6.091 13.084 0.170 146 HD3 ARG 451 HD1 ARG 451 -5.766 11.454 0.760 147 HE ARG 451 HE ARG 451 -3.654 13.215 -0.315 148 HH11 ARG 451 HH11 ARG 451 -4.809 10.887 2.059 149 HH12 ARG 451 HH12 ARG 451 -3.373 11.000 3.037 150 HH21 ARG 451 HH21 ARG 451 -1.757 13.320 0.956 151 HH22 ARG 451 HH22 ARG 451 -1.636 12.355 2.395 152 H THR 452 HN THR 452 -2.700 9.320 -2.970 153 HA THR 452 HA THR 452 -2.239 11.380 -5.012 154 HB THR 452 HB THR 452 0.209 11.025 -4.246 155 HG1 THR 452 HG1 THR 452 0.427 10.090 -2.203 156 HG21 THR 452 HG21 THR 452 -0.085 12.557 -2.351 157 HG22 THR 452 HG22 THR 452 -1.811 12.202 -2.325 158 HG23 THR 452 HG23 THR 452 -1.103 13.034 -3.709 159 H ALA 453 HN ALA 453 -2.570 8.105 -4.710 160 HA ALA 453 HA ALA 453 -2.240 6.337 -6.085 161 HB1 ALA 453 HB1 ALA 453 -1.666 6.693 -8.413 162 HB2 ALA 453 HB2 ALA 453 -1.179 8.349 -8.060 163 HB3 ALA 453 HB3 ALA 453 -2.867 7.871 -7.891 164 H GLU 454 HN GLU 454 -0.217 7.264 -4.214 165 HA GLU 454 HA GLU 454 2.284 6.474 -5.528 166 HB2 GLU 454 HB2 GLU 454 3.448 7.468 -3.665 167 HB3 GLU 454 HB1 GLU 454 2.261 8.619 -4.261 168 HG2 GLU 454 HG2 GLU 454 0.765 8.026 -2.430 169 HG3 GLU 454 HG1 GLU 454 1.947 6.858 -1.841 170 H SER 455 HN SER 455 3.614 4.861 -4.634 171 HA SER 455 HA SER 455 2.161 2.831 -3.136 172 HB2 SER 455 HB2 SER 455 4.217 1.447 -3.615 173 HB3 SER 455 HB1 SER 455 3.374 2.024 -5.054 174 HG SER 455 HG SER 455 5.314 3.733 -4.091 175 H THR 456 HN THR 456 2.210 2.944 -0.995 176 HA THR 456 HA THR 456 4.477 4.256 0.315 177 HB THR 456 HB THR 456 1.755 3.591 1.453 178 HG1 THR 456 HG1 THR 456 2.365 5.395 -0.344 179 HG21 THR 456 HG21 THR 456 3.381 3.865 3.204 180 HG22 THR 456 HG22 THR 456 2.391 5.323 3.137 181 HG23 THR 456 HG23 THR 456 4.016 5.327 2.449 182 H TRP 457 HN TRP 457 6.006 2.814 0.796 183 HA TRP 457 HA TRP 457 5.255 0.169 1.765 184 HB2 TRP 457 HB2 TRP 457 7.970 1.292 1.025 185 HB3 TRP 457 HB1 TRP 457 7.645 -0.382 1.478 186 HD1 TRP 457 HD1 TRP 457 6.950 2.122 -1.360 187 HE1 TRP 457 HE1 TRP 457 6.316 0.805 -3.480 188 HE3 TRP 457 HE3 TRP 457 6.809 -2.585 0.628 189 HZ2 TRP 457 HZ2 TRP 457 5.805 -1.874 -4.201 190 HZ3 TRP 457 HZ3 TRP 457 6.247 -4.473 -0.848 191 HH2 TRP 457 HH2 TRP 457 5.762 -4.123 -3.215 192 H GLU 458 HN GLU 458 6.191 3.201 2.899 193 HA GLU 458 HA GLU 458 7.089 2.308 5.489 194 HB2 GLU 458 HB2 GLU 458 6.397 4.983 4.290 195 HB3 GLU 458 HB1 GLU 458 6.614 4.813 6.025 196 HG2 GLU 458 HG2 GLU 458 8.616 5.621 4.781 197 HG3 GLU 458 HG1 GLU 458 8.882 4.191 5.773 198 H LYS 459 HN LYS 459 5.666 1.308 6.779 199 HA LYS 459 HA LYS 459 2.836 1.954 6.406 200 HB2 LYS 459 HB2 LYS 459 2.403 -0.201 7.572 201 HB3 LYS 459 HB1 LYS 459 3.302 -0.366 6.071 202 HG2 LYS 459 HG2 LYS 459 5.280 -0.900 7.166 203 HG3 LYS 459 HG1 LYS 459 4.724 -0.231 8.701 204 HD2 LYS 459 HD2 LYS 459 3.245 -2.527 7.501 205 HD3 LYS 459 HD1 LYS 459 4.789 -2.825 8.302 206 HE2 LYS 459 HE2 LYS 459 2.971 -3.140 9.869 207 HE3 LYS 459 HE1 LYS 459 3.926 -1.737 10.333 208 HZ1 LYS 459 HZ1 LYS 459 2.214 -0.334 9.262 209 HZ2 LYS 459 HZ2 LYS 459 1.620 -1.222 10.570 210 HZ3 LYS 459 HZ3 LYS 459 1.273 -1.715 8.987 211 HA PRO 460 HA PRO 460 2.767 4.001 10.434 212 HB2 PRO 460 HB2 PRO 460 0.022 4.334 10.265 213 HB3 PRO 460 HB1 PRO 460 1.215 5.491 9.661 214 HG2 PRO 460 HG2 PRO 460 -0.319 3.395 8.177 215 HG3 PRO 460 HG1 PRO 460 0.085 5.051 7.687 216 HD2 PRO 460 HD2 PRO 460 1.438 2.953 6.724 217 HD3 PRO 460 HD1 PRO 460 2.256 4.483 7.098 Start of MODEL 3 1 H SER 433 HT1 SER 433 -12.735 3.237 4.923 2 HA SER 433 HA SER 433 -10.392 3.577 4.913 3 HB2 SER 433 HB2 SER 433 -11.169 1.134 3.298 4 HB3 SER 433 HB1 SER 433 -9.696 1.324 4.249 5 HG SER 433 HG SER 433 -11.076 0.267 5.579 6 H GLU 434 HN GLU 434 -8.999 4.809 3.915 7 HA GLU 434 HA GLU 434 -9.036 4.983 1.000 8 HB2 GLU 434 HB2 GLU 434 -7.484 6.964 1.456 9 HB3 GLU 434 HB1 GLU 434 -9.157 7.122 1.967 10 HG2 GLU 434 HG2 GLU 434 -8.442 6.448 4.260 11 HG3 GLU 434 HG1 GLU 434 -6.774 6.533 3.697 12 H TRP 435 HN TRP 435 -7.342 3.480 3.489 13 HA TRP 435 HA TRP 435 -4.887 3.270 1.910 14 HB2 TRP 435 HB2 TRP 435 -5.451 2.249 4.705 15 HB3 TRP 435 HB1 TRP 435 -3.888 2.261 3.897 16 HD1 TRP 435 HD1 TRP 435 -5.034 3.879 6.652 17 HE1 TRP 435 HE1 TRP 435 -4.369 6.355 6.842 18 HE3 TRP 435 HE3 TRP 435 -3.848 4.743 1.770 19 HZ2 TRP 435 HZ2 TRP 435 -3.468 8.420 5.111 20 HZ3 TRP 435 HZ3 TRP 435 -3.093 6.977 1.114 21 HH2 TRP 435 HH2 TRP 435 -2.916 8.786 2.741 22 H THR 436 HN THR 436 -4.870 1.669 0.455 23 HA THR 436 HA THR 436 -6.255 -0.834 1.088 24 HB THR 436 HB THR 436 -4.918 0.084 -1.470 25 HG1 THR 436 HG1 THR 436 -7.237 0.708 -0.564 26 HG21 THR 436 HG21 THR 436 -6.398 -2.499 -0.911 27 HG22 THR 436 HG22 THR 436 -4.664 -2.349 -1.209 28 HG23 THR 436 HG23 THR 436 -5.818 -1.967 -2.488 29 H GLU 437 HN GLU 437 -5.163 -2.383 2.078 30 HA GLU 437 HA GLU 437 -2.263 -2.457 1.854 31 HB2 GLU 437 HB2 GLU 437 -2.355 -4.212 3.563 32 HB3 GLU 437 HB1 GLU 437 -3.230 -2.788 4.082 33 HG2 GLU 437 HG2 GLU 437 -4.563 -5.209 2.901 34 HG3 GLU 437 HG1 GLU 437 -4.282 -4.993 4.625 35 H ARG 438 HN ARG 438 -1.401 -3.477 0.152 36 HA ARG 438 HA ARG 438 -3.160 -5.383 -1.218 37 HB2 ARG 438 HB2 ARG 438 -1.051 -3.484 -2.223 38 HB3 ARG 438 HB1 ARG 438 -1.518 -4.894 -3.180 39 HG2 ARG 438 HG2 ARG 438 -3.782 -4.156 -3.310 40 HG3 ARG 438 HG1 ARG 438 -3.485 -2.864 -2.150 41 HD2 ARG 438 HD2 ARG 438 -3.600 -2.004 -4.427 42 HD3 ARG 438 HD1 ARG 438 -1.999 -1.766 -3.734 43 HE ARG 438 HE ARG 438 -1.431 -3.889 -5.045 44 HH11 ARG 438 HH11 ARG 438 -3.843 -1.582 -6.092 45 HH12 ARG 438 HH12 ARG 438 -3.527 -1.822 -7.785 46 HH21 ARG 438 HH21 ARG 438 -1.012 -4.207 -7.273 47 HH22 ARG 438 HH22 ARG 438 -1.934 -3.319 -8.449 48 H LYS 439 HN LYS 439 -2.729 -7.270 -0.333 49 HA LYS 439 HA LYS 439 0.022 -8.127 -0.029 50 HB2 LYS 439 HB2 LYS 439 -1.045 -10.194 0.972 51 HB3 LYS 439 HB1 LYS 439 -1.279 -8.692 1.851 52 HG2 LYS 439 HG2 LYS 439 -3.527 -8.495 0.967 53 HG3 LYS 439 HG1 LYS 439 -3.298 -9.956 0.008 54 HD2 LYS 439 HD2 LYS 439 -4.541 -10.567 1.946 55 HD3 LYS 439 HD1 LYS 439 -2.909 -11.196 2.154 56 HE2 LYS 439 HE2 LYS 439 -3.811 -8.571 3.322 57 HE3 LYS 439 HE1 LYS 439 -3.978 -10.100 4.179 58 HZ1 LYS 439 HZ1 LYS 439 -1.542 -10.377 3.966 59 HZ2 LYS 439 HZ2 LYS 439 -1.987 -9.027 4.887 60 HZ3 LYS 439 HZ3 LYS 439 -1.445 -8.821 3.299 61 H THR 440 HN THR 440 0.837 -8.531 -1.946 62 HA THR 440 HA THR 440 -0.510 -10.364 -3.754 63 HB THR 440 HB THR 440 0.775 -8.478 -4.690 64 HG1 THR 440 HG1 THR 440 0.624 -10.143 -6.101 65 HG21 THR 440 HG21 THR 440 3.221 -8.500 -4.649 66 HG22 THR 440 HG22 THR 440 3.192 -9.903 -3.582 67 HG23 THR 440 HG23 THR 440 2.558 -8.357 -3.021 68 H ALA 441 HN ALA 441 0.290 -12.395 -4.338 69 HA ALA 441 HA ALA 441 0.912 -14.018 -2.150 70 HB1 ALA 441 HB1 ALA 441 1.012 -15.848 -3.739 71 HB2 ALA 441 HB2 ALA 441 1.120 -14.700 -5.075 72 HB3 ALA 441 HB3 ALA 441 -0.345 -14.780 -4.096 73 H ASP 442 HN ASP 442 3.054 -12.163 -3.950 74 HA ASP 442 HA ASP 442 5.366 -13.811 -3.821 75 HB2 ASP 442 HB2 ASP 442 5.253 -11.841 -5.286 76 HB3 ASP 442 HB1 ASP 442 5.139 -10.790 -3.879 77 H GLY 443 HN GLY 443 3.499 -12.359 -1.460 78 HA2 GLY 443 HA2 GLY 443 3.756 -12.726 0.834 79 HA3 GLY 443 HA1 GLY 443 5.462 -13.060 0.574 80 H LYS 444 HN LYS 444 3.840 -10.219 -0.701 81 HA LYS 444 HA LYS 444 4.970 -8.621 1.465 82 HB2 LYS 444 HB2 LYS 444 5.898 -6.960 -0.159 83 HB3 LYS 444 HB1 LYS 444 6.757 -8.486 -0.085 84 HG2 LYS 444 HG2 LYS 444 6.013 -9.146 -2.190 85 HG3 LYS 444 HG1 LYS 444 4.685 -7.979 -2.189 86 HD2 LYS 444 HD2 LYS 444 6.226 -6.145 -2.400 87 HD3 LYS 444 HD1 LYS 444 7.606 -7.224 -2.212 88 HE2 LYS 444 HE2 LYS 444 5.691 -7.742 -4.427 89 HE3 LYS 444 HE1 LYS 444 6.803 -6.383 -4.584 90 HZ1 LYS 444 HZ1 LYS 444 8.647 -7.920 -4.195 91 HZ2 LYS 444 HZ2 LYS 444 7.746 -8.358 -5.556 92 HZ3 LYS 444 HZ3 LYS 444 7.562 -9.220 -4.106 93 H THR 445 HN THR 445 3.679 -7.135 2.158 94 HA THR 445 HA THR 445 1.320 -6.430 0.556 95 HB THR 445 HB THR 445 1.700 -6.037 3.535 96 HG1 THR 445 HG1 THR 445 1.771 -8.287 2.951 97 HG21 THR 445 HG21 THR 445 -0.760 -6.080 1.783 98 HG22 THR 445 HG22 THR 445 -0.042 -4.660 2.549 99 HG23 THR 445 HG23 THR 445 -0.756 -5.935 3.541 100 H TYR 446 HN TYR 446 0.739 -4.240 0.296 101 HA TYR 446 HA TYR 446 2.602 -2.232 1.283 102 HB2 TYR 446 HB2 TYR 446 2.835 -1.290 -1.066 103 HB3 TYR 446 HB1 TYR 446 3.742 -2.754 -0.728 104 HD1 TYR 446 HD2 TYR 446 3.132 -4.871 -1.791 105 HD2 TYR 446 HD1 TYR 446 0.988 -1.299 -2.652 106 HE1 TYR 446 HE2 TYR 446 2.166 -5.937 -3.787 107 HE2 TYR 446 HE1 TYR 446 0.033 -2.346 -4.653 108 HH TYR 446 HH TYR 446 0.414 -5.745 -5.313 109 H TYR 447 HN TYR 447 1.677 -0.227 1.485 110 HA TYR 447 HA TYR 447 -1.222 -0.262 1.216 111 HB2 TYR 447 HB2 TYR 447 0.404 1.972 2.438 112 HB3 TYR 447 HB1 TYR 447 -1.279 1.555 2.729 113 HD1 TYR 447 HD1 TYR 447 -1.793 -0.621 3.962 114 HD2 TYR 447 HD2 TYR 447 2.103 1.078 3.793 115 HE1 TYR 447 HE1 TYR 447 -1.128 -1.958 5.920 116 HE2 TYR 447 HE2 TYR 447 2.770 -0.248 5.747 117 HH TYR 447 HH TYR 447 0.844 -2.788 7.019 118 H TYR 448 HN TYR 448 -1.954 0.333 -0.696 119 HA TYR 448 HA TYR 448 -0.513 2.299 -2.266 120 HB2 TYR 448 HB2 TYR 448 -1.563 0.168 -3.218 121 HB3 TYR 448 HB1 TYR 448 -3.121 0.953 -2.988 122 HD1 TYR 448 HD1 TYR 448 -3.734 2.915 -4.350 123 HD2 TYR 448 HD2 TYR 448 -0.072 0.840 -4.970 124 HE1 TYR 448 HE1 TYR 448 -3.481 4.026 -6.531 125 HE2 TYR 448 HE2 TYR 448 0.191 1.945 -7.150 126 HH TYR 448 HH TYR 448 -1.670 4.607 -8.108 127 H ASN 449 HN ASN 449 -0.929 4.349 -2.199 128 HA ASN 449 HA ASN 449 -3.250 5.339 -0.736 129 HB2 ASN 449 HB2 ASN 449 -0.819 6.738 -1.883 130 HB3 ASN 449 HB1 ASN 449 -2.111 7.557 -1.023 131 HD21 ASN 449 HD21 ASN 449 -0.950 4.401 -0.054 132 HD22 ASN 449 HD22 ASN 449 -0.162 4.933 1.386 133 H ASN 450 HN ASN 450 -5.040 5.732 -1.839 134 HA ASN 450 HA ASN 450 -5.039 5.961 -4.697 135 HB2 ASN 450 HB2 ASN 450 -7.455 6.142 -4.504 136 HB3 ASN 450 HB1 ASN 450 -6.876 4.852 -3.456 137 HD21 ASN 450 HD21 ASN 450 -9.340 6.424 -3.344 138 HD22 ASN 450 HD22 ASN 450 -9.356 7.161 -1.773 139 H ARG 451 HN ARG 451 -4.799 8.144 -2.092 140 HA ARG 451 HA ARG 451 -5.926 10.395 -3.501 141 HB2 ARG 451 HB2 ARG 451 -6.195 10.120 -1.062 142 HB3 ARG 451 HB1 ARG 451 -4.460 10.302 -0.865 143 HG2 ARG 451 HG2 ARG 451 -4.544 12.574 -1.598 144 HG3 ARG 451 HG1 ARG 451 -6.239 12.412 -2.062 145 HD2 ARG 451 HD2 ARG 451 -5.163 12.159 0.745 146 HD3 ARG 451 HD1 ARG 451 -5.964 13.583 0.083 147 HE ARG 451 HE ARG 451 -7.967 12.149 -0.188 148 HH11 ARG 451 HH11 ARG 451 -5.490 11.224 2.111 149 HH12 ARG 451 HH12 ARG 451 -6.574 10.280 3.101 150 HH21 ARG 451 HH21 ARG 451 -9.404 10.941 1.128 151 HH22 ARG 451 HH22 ARG 451 -8.801 10.134 2.553 152 H THR 452 HN THR 452 -2.774 9.031 -2.982 153 HA THR 452 HA THR 452 -1.615 11.358 -4.367 154 HB THR 452 HB THR 452 0.580 10.620 -3.282 155 HG1 THR 452 HG1 THR 452 0.477 9.241 -1.603 156 HG21 THR 452 HG21 THR 452 -0.613 12.644 -2.616 157 HG22 THR 452 HG22 THR 452 0.085 11.843 -1.208 158 HG23 THR 452 HG23 THR 452 -1.641 11.698 -1.539 159 H ALA 453 HN ALA 453 -2.434 8.191 -4.769 160 HA ALA 453 HA ALA 453 -1.990 6.618 -6.344 161 HB1 ALA 453 HB1 ALA 453 -0.576 8.878 -7.761 162 HB2 ALA 453 HB2 ALA 453 -2.293 8.497 -7.886 163 HB3 ALA 453 HB3 ALA 453 -1.091 7.355 -8.487 164 H GLU 454 HN GLU 454 -0.236 6.727 -4.137 165 HA GLU 454 HA GLU 454 2.333 5.941 -5.364 166 HB2 GLU 454 HB2 GLU 454 3.482 6.694 -3.394 167 HB3 GLU 454 HB1 GLU 454 2.448 8.002 -3.946 168 HG2 GLU 454 HG2 GLU 454 0.824 7.498 -2.242 169 HG3 GLU 454 HG1 GLU 454 1.758 6.095 -1.726 170 H SER 455 HN SER 455 3.363 4.078 -4.559 171 HA SER 455 HA SER 455 1.689 2.400 -2.821 172 HB2 SER 455 HB2 SER 455 4.207 1.569 -4.276 173 HB3 SER 455 HB1 SER 455 2.996 0.524 -3.537 174 HG SER 455 HG SER 455 1.973 2.257 -5.400 175 H THR 456 HN THR 456 2.052 2.823 -0.754 176 HA THR 456 HA THR 456 4.648 3.787 0.125 177 HB THR 456 HB THR 456 2.145 3.403 1.780 178 HG1 THR 456 HG1 THR 456 2.982 5.755 0.380 179 HG21 THR 456 HG21 THR 456 4.126 3.770 3.109 180 HG22 THR 456 HG22 THR 456 3.144 5.230 3.126 181 HG23 THR 456 HG23 THR 456 4.584 5.149 2.111 182 H TRP 457 HN TRP 457 6.133 2.386 0.732 183 HA TRP 457 HA TRP 457 5.342 -0.212 1.828 184 HB2 TRP 457 HB2 TRP 457 8.042 0.766 0.861 185 HB3 TRP 457 HB1 TRP 457 7.676 -0.876 1.389 186 HD1 TRP 457 HD1 TRP 457 6.903 1.569 -1.474 187 HE1 TRP 457 HE1 TRP 457 6.077 0.222 -3.502 188 HE3 TRP 457 HE3 TRP 457 6.690 -3.059 0.669 189 HZ2 TRP 457 HZ2 TRP 457 5.409 -2.444 -4.109 190 HZ3 TRP 457 HZ3 TRP 457 5.958 -4.960 -0.706 191 HH2 TRP 457 HH2 TRP 457 5.337 -4.660 -3.049 192 H GLU 458 HN GLU 458 6.105 2.781 2.846 193 HA GLU 458 HA GLU 458 7.553 2.118 5.240 194 HB2 GLU 458 HB2 GLU 458 5.985 4.647 4.748 195 HB3 GLU 458 HB1 GLU 458 7.411 4.427 5.753 196 HG2 GLU 458 HG2 GLU 458 7.341 4.311 2.746 197 HG3 GLU 458 HG1 GLU 458 7.915 5.665 3.717 198 H LYS 459 HN LYS 459 6.596 1.239 6.987 199 HA LYS 459 HA LYS 459 3.740 0.938 7.024 200 HB2 LYS 459 HB2 LYS 459 5.422 -0.816 7.761 201 HB3 LYS 459 HB1 LYS 459 5.670 0.152 9.206 202 HG2 LYS 459 HG2 LYS 459 2.926 -0.764 8.437 203 HG3 LYS 459 HG1 LYS 459 4.034 -1.837 9.288 204 HD2 LYS 459 HD2 LYS 459 4.141 -0.376 11.161 205 HD3 LYS 459 HD1 LYS 459 3.323 0.917 10.280 206 HE2 LYS 459 HE2 LYS 459 2.089 -1.739 11.005 207 HE3 LYS 459 HE1 LYS 459 1.850 -0.237 11.898 208 HZ1 LYS 459 HZ1 LYS 459 1.123 -0.657 9.049 209 HZ2 LYS 459 HZ2 LYS 459 0.841 0.749 9.961 210 HZ3 LYS 459 HZ3 LYS 459 0.033 -0.694 10.344 211 HA PRO 460 HA PRO 460 3.173 4.495 9.703 212 HB2 PRO 460 HB2 PRO 460 0.549 4.811 9.182 213 HB3 PRO 460 HB1 PRO 460 1.794 5.338 8.049 214 HG2 PRO 460 HG2 PRO 460 0.003 2.981 7.924 215 HG3 PRO 460 HG1 PRO 460 0.710 3.933 6.609 216 HD2 PRO 460 HD2 PRO 460 1.624 1.444 7.570 217 HD3 PRO 460 HD1 PRO 460 2.470 2.522 6.446 Start of MODEL 4 1 H SER 433 HT1 SER 433 -11.979 2.260 4.760 2 HA SER 433 HA SER 433 -9.958 3.512 4.952 3 HB2 SER 433 HB2 SER 433 -9.369 0.736 3.892 4 HB3 SER 433 HB1 SER 433 -8.431 1.645 5.078 5 HG SER 433 HG SER 433 -10.681 0.111 5.415 6 H GLU 434 HN GLU 434 -8.605 4.826 3.901 7 HA GLU 434 HA GLU 434 -8.505 4.713 1.013 8 HB2 GLU 434 HB2 GLU 434 -7.201 6.828 1.222 9 HB3 GLU 434 HB1 GLU 434 -8.785 6.887 1.981 10 HG2 GLU 434 HG2 GLU 434 -7.657 6.424 4.166 11 HG3 GLU 434 HG1 GLU 434 -6.113 6.618 3.337 12 H TRP 435 HN TRP 435 -6.678 3.466 3.551 13 HA TRP 435 HA TRP 435 -4.303 3.193 1.851 14 HB2 TRP 435 HB2 TRP 435 -4.590 2.289 4.725 15 HB3 TRP 435 HB1 TRP 435 -3.101 2.518 3.815 16 HD1 TRP 435 HD1 TRP 435 -5.352 4.258 6.181 17 HE1 TRP 435 HE1 TRP 435 -4.720 6.742 6.410 18 HE3 TRP 435 HE3 TRP 435 -2.107 4.610 2.258 19 HZ2 TRP 435 HZ2 TRP 435 -3.055 8.599 5.090 20 HZ3 TRP 435 HZ3 TRP 435 -1.041 6.775 1.808 21 HH2 TRP 435 HH2 TRP 435 -1.507 8.729 3.186 22 H THR 436 HN THR 436 -4.539 1.518 0.470 23 HA THR 436 HA THR 436 -5.971 -0.867 1.330 24 HB THR 436 HB THR 436 -4.739 -0.137 -1.331 25 HG1 THR 436 HG1 THR 436 -6.813 0.827 -0.504 26 HG21 THR 436 HG21 THR 436 -5.821 -2.172 -2.216 27 HG22 THR 436 HG22 THR 436 -6.300 -2.625 -0.579 28 HG23 THR 436 HG23 THR 436 -4.588 -2.567 -1.014 29 H GLU 437 HN GLU 437 -4.993 -2.521 2.216 30 HA GLU 437 HA GLU 437 -2.107 -2.792 2.044 31 HB2 GLU 437 HB2 GLU 437 -2.539 -4.706 3.658 32 HB3 GLU 437 HB1 GLU 437 -2.983 -3.110 4.238 33 HG2 GLU 437 HG2 GLU 437 -5.287 -3.536 3.891 34 HG3 GLU 437 HG1 GLU 437 -4.944 -5.011 2.990 35 H ARG 438 HN ARG 438 -1.463 -3.680 0.094 36 HA ARG 438 HA ARG 438 -3.277 -5.661 -1.070 37 HB2 ARG 438 HB2 ARG 438 -0.983 -4.121 -2.302 38 HB3 ARG 438 HB1 ARG 438 -1.892 -5.374 -3.142 39 HG2 ARG 438 HG2 ARG 438 -3.959 -3.944 -2.532 40 HG3 ARG 438 HG1 ARG 438 -2.780 -2.660 -2.264 41 HD2 ARG 438 HD2 ARG 438 -3.596 -2.493 -4.513 42 HD3 ARG 438 HD1 ARG 438 -1.923 -3.048 -4.563 43 HE ARG 438 HE ARG 438 -3.360 -5.356 -4.595 44 HH11 ARG 438 HH11 ARG 438 -3.407 -2.459 -6.568 45 HH12 ARG 438 HH12 ARG 438 -3.969 -3.279 -7.992 46 HH21 ARG 438 HH21 ARG 438 -4.113 -6.432 -6.434 47 HH22 ARG 438 HH22 ARG 438 -4.388 -5.555 -7.909 48 H LYS 439 HN LYS 439 -2.900 -7.591 -0.305 49 HA LYS 439 HA LYS 439 -0.174 -8.362 0.309 50 HB2 LYS 439 HB2 LYS 439 -1.161 -10.345 1.394 51 HB3 LYS 439 HB1 LYS 439 -1.794 -8.842 2.042 52 HG2 LYS 439 HG2 LYS 439 -3.264 -10.409 -0.055 53 HG3 LYS 439 HG1 LYS 439 -3.423 -10.766 1.662 54 HD2 LYS 439 HD2 LYS 439 -3.895 -8.008 0.568 55 HD3 LYS 439 HD1 LYS 439 -5.164 -9.230 0.577 56 HE2 LYS 439 HE2 LYS 439 -5.473 -7.943 2.531 57 HE3 LYS 439 HE1 LYS 439 -4.762 -9.465 3.056 58 HZ1 LYS 439 HZ1 LYS 439 -3.152 -7.030 2.574 59 HZ2 LYS 439 HZ2 LYS 439 -2.686 -8.437 3.398 60 HZ3 LYS 439 HZ3 LYS 439 -3.831 -7.389 4.083 61 H THR 440 HN THR 440 0.836 -8.805 -1.523 62 HA THR 440 HA THR 440 -0.362 -10.606 -3.460 63 HB THR 440 HB THR 440 1.774 -10.341 -4.713 64 HG1 THR 440 HG1 THR 440 2.410 -8.607 -2.532 65 HG21 THR 440 HG21 THR 440 0.482 -7.747 -3.870 66 HG22 THR 440 HG22 THR 440 -0.128 -8.837 -5.113 67 HG23 THR 440 HG23 THR 440 1.414 -8.016 -5.342 68 H ALA 441 HN ALA 441 0.585 -12.585 -4.122 69 HA ALA 441 HA ALA 441 1.028 -14.233 -1.864 70 HB1 ALA 441 HB1 ALA 441 0.974 -16.073 -3.423 71 HB2 ALA 441 HB2 ALA 441 1.163 -14.962 -4.779 72 HB3 ALA 441 HB3 ALA 441 -0.302 -14.915 -3.797 73 H ASP 442 HN ASP 442 3.290 -12.385 -3.386 74 HA ASP 442 HA ASP 442 5.467 -14.277 -3.197 75 HB2 ASP 442 HB2 ASP 442 5.653 -12.399 -4.770 76 HB3 ASP 442 HB1 ASP 442 5.514 -11.256 -3.439 77 H GLY 443 HN GLY 443 3.560 -12.618 -1.057 78 HA2 GLY 443 HA2 GLY 443 3.702 -12.726 1.281 79 HA3 GLY 443 HA1 GLY 443 5.408 -13.129 1.138 80 H LYS 444 HN LYS 444 3.887 -10.444 -0.511 81 HA LYS 444 HA LYS 444 5.112 -8.592 1.390 82 HB2 LYS 444 HB2 LYS 444 5.970 -7.202 -0.500 83 HB3 LYS 444 HB1 LYS 444 6.789 -8.740 -0.295 84 HG2 LYS 444 HG2 LYS 444 5.448 -9.663 -2.150 85 HG3 LYS 444 HG1 LYS 444 4.730 -8.066 -2.384 86 HD2 LYS 444 HD2 LYS 444 6.905 -7.119 -2.869 87 HD3 LYS 444 HD1 LYS 444 7.683 -8.663 -2.519 88 HE2 LYS 444 HE2 LYS 444 6.349 -9.660 -4.382 89 HE3 LYS 444 HE1 LYS 444 5.808 -8.031 -4.789 90 HZ1 LYS 444 HZ1 LYS 444 7.699 -8.724 -6.136 91 HZ2 LYS 444 HZ2 LYS 444 8.638 -8.946 -4.746 92 HZ3 LYS 444 HZ3 LYS 444 8.104 -7.393 -5.171 93 H THR 445 HN THR 445 3.654 -7.292 2.090 94 HA THR 445 HA THR 445 1.318 -6.635 0.448 95 HB THR 445 HB THR 445 1.812 -6.166 3.397 96 HG1 THR 445 HG1 THR 445 1.354 -8.430 2.113 97 HG21 THR 445 HG21 THR 445 -0.740 -6.082 1.784 98 HG22 THR 445 HG22 THR 445 0.115 -4.680 2.432 99 HG23 THR 445 HG23 THR 445 -0.603 -5.862 3.529 100 H TYR 446 HN TYR 446 0.696 -4.425 0.098 101 HA TYR 446 HA TYR 446 2.577 -2.382 0.953 102 HB2 TYR 446 HB2 TYR 446 2.811 -1.523 -1.410 103 HB3 TYR 446 HB1 TYR 446 3.691 -3.001 -1.051 104 HD1 TYR 446 HD1 TYR 446 0.687 -1.654 -2.760 105 HD2 TYR 446 HD2 TYR 446 3.287 -4.983 -2.276 106 HE1 TYR 446 HE1 TYR 446 -0.307 -2.705 -4.745 107 HE2 TYR 446 HE2 TYR 446 2.293 -6.049 -4.248 108 HH TYR 446 HH TYR 446 0.180 -5.966 -5.525 109 H TYR 447 HN TYR 447 1.737 -0.297 0.864 110 HA TYR 447 HA TYR 447 -1.169 -0.362 0.877 111 HB2 TYR 447 HB2 TYR 447 0.739 1.729 1.934 112 HB3 TYR 447 HB1 TYR 447 -1.015 1.750 2.126 113 HD1 TYR 447 HD1 TYR 447 -1.857 -0.767 2.931 114 HD2 TYR 447 HD2 TYR 447 1.838 1.112 3.886 115 HE1 TYR 447 HE1 TYR 447 -1.661 -2.183 4.926 116 HE2 TYR 447 HE2 TYR 447 2.039 -0.306 5.890 117 HH TYR 447 HH TYR 447 0.257 -3.063 6.363 118 H TYR 448 HN TYR 448 -2.078 0.031 -0.945 119 HA TYR 448 HA TYR 448 -0.986 1.923 -2.864 120 HB2 TYR 448 HB2 TYR 448 -2.087 -0.397 -3.343 121 HB3 TYR 448 HB1 TYR 448 -3.605 0.456 -3.118 122 HD1 TYR 448 HD1 TYR 448 -2.199 3.067 -4.467 123 HD2 TYR 448 HD2 TYR 448 -2.869 -0.980 -5.595 124 HE1 TYR 448 HE1 TYR 448 -2.171 3.726 -6.838 125 HE2 TYR 448 HE2 TYR 448 -2.838 -0.333 -7.963 126 HH TYR 448 HH TYR 448 -1.645 2.529 -9.075 127 H ASN 449 HN ASN 449 -1.477 4.013 -2.643 128 HA ASN 449 HA ASN 449 -4.053 4.738 -1.406 129 HB2 ASN 449 HB2 ASN 449 -2.150 5.251 0.061 130 HB3 ASN 449 HB1 ASN 449 -1.398 6.189 -1.226 131 HD21 ASN 449 HD21 ASN 449 -1.381 8.044 0.032 132 HD22 ASN 449 HD22 ASN 449 -2.814 8.937 0.375 133 H ASN 450 HN ASN 450 -5.170 6.479 -2.274 134 HA ASN 450 HA ASN 450 -4.331 7.176 -5.006 135 HB2 ASN 450 HB2 ASN 450 -6.469 5.840 -4.666 136 HB3 ASN 450 HB1 ASN 450 -7.142 7.280 -3.910 137 HD21 ASN 450 HD21 ASN 450 -4.925 7.342 -6.616 138 HD22 ASN 450 HD22 ASN 450 -6.060 7.935 -7.782 139 H ARG 451 HN ARG 451 -4.104 8.510 -2.086 140 HA ARG 451 HA ARG 451 -5.429 10.985 -2.313 141 HB2 ARG 451 HB2 ARG 451 -2.988 10.198 -0.745 142 HB3 ARG 451 HB1 ARG 451 -3.681 11.813 -0.670 143 HG2 ARG 451 HG2 ARG 451 -5.040 9.234 0.083 144 HG3 ARG 451 HG1 ARG 451 -4.471 10.492 1.183 145 HD2 ARG 451 HD2 ARG 451 -6.065 12.067 0.217 146 HD3 ARG 451 HD1 ARG 451 -6.614 10.834 -0.915 147 HE ARG 451 HE ARG 451 -6.842 10.025 1.833 148 HH11 ARG 451 HH11 ARG 451 -8.412 11.728 -0.800 149 HH12 ARG 451 HH12 ARG 451 -10.005 11.601 -0.107 150 HH21 ARG 451 HH21 ARG 451 -8.937 9.822 2.731 151 HH22 ARG 451 HH22 ARG 451 -10.299 10.505 1.890 152 H THR 452 HN THR 452 -2.020 10.165 -3.038 153 HA THR 452 HA THR 452 -2.178 12.247 -5.124 154 HB THR 452 HB THR 452 0.248 12.495 -5.051 155 HG1 THR 452 HG1 THR 452 0.210 10.772 -2.772 156 HG21 THR 452 HG21 THR 452 -1.077 13.958 -3.625 157 HG22 THR 452 HG22 THR 452 0.469 13.582 -2.866 158 HG23 THR 452 HG23 THR 452 -1.001 12.777 -2.316 159 H ALA 453 HN ALA 453 -2.445 9.087 -4.665 160 HA ALA 453 HA ALA 453 -2.402 7.252 -5.996 161 HB1 ALA 453 HB1 ALA 453 -2.841 8.675 -7.940 162 HB2 ALA 453 HB2 ALA 453 -1.729 7.364 -8.336 163 HB3 ALA 453 HB3 ALA 453 -1.112 8.999 -8.094 164 H GLU 454 HN GLU 454 -0.621 7.596 -4.049 165 HA GLU 454 HA GLU 454 2.049 7.004 -5.112 166 HB2 GLU 454 HB2 GLU 454 2.850 7.505 -2.845 167 HB3 GLU 454 HB1 GLU 454 1.924 8.844 -3.506 168 HG2 GLU 454 HG2 GLU 454 0.559 6.835 -1.774 169 HG3 GLU 454 HG1 GLU 454 1.581 8.069 -1.040 170 H SER 455 HN SER 455 3.167 5.173 -4.564 171 HA SER 455 HA SER 455 1.636 3.049 -3.250 172 HB2 SER 455 HB2 SER 455 3.602 1.613 -4.066 173 HB3 SER 455 HB1 SER 455 2.535 2.274 -5.305 174 HG SER 455 HG SER 455 4.629 3.926 -4.647 175 H THR 456 HN THR 456 1.892 2.857 -1.135 176 HA THR 456 HA THR 456 4.335 3.928 0.094 177 HB THR 456 HB THR 456 1.688 3.269 1.404 178 HG1 THR 456 HG1 THR 456 1.613 5.018 -0.163 179 HG21 THR 456 HG21 THR 456 2.536 4.691 3.232 180 HG22 THR 456 HG22 THR 456 4.073 4.847 2.380 181 HG23 THR 456 HG23 THR 456 3.550 3.273 2.976 182 H TRP 457 HN TRP 457 5.799 2.588 0.892 183 HA TRP 457 HA TRP 457 5.007 -0.194 1.474 184 HB2 TRP 457 HB2 TRP 457 7.685 0.921 0.604 185 HB3 TRP 457 HB1 TRP 457 7.405 -0.756 1.063 186 HD1 TRP 457 HD1 TRP 457 6.318 1.775 -1.651 187 HE1 TRP 457 HE1 TRP 457 5.655 0.455 -3.755 188 HE3 TRP 457 HE3 TRP 457 6.789 -2.975 0.193 189 HZ2 TRP 457 HZ2 TRP 457 5.367 -2.242 -4.532 190 HZ3 TRP 457 HZ3 TRP 457 6.313 -4.872 -1.303 191 HH2 TRP 457 HH2 TRP 457 5.620 -4.513 -3.617 192 H GLU 458 HN GLU 458 5.719 2.654 2.894 193 HA GLU 458 HA GLU 458 7.162 1.641 5.189 194 HB2 GLU 458 HB2 GLU 458 7.475 3.955 4.284 195 HB3 GLU 458 HB1 GLU 458 5.828 4.325 4.770 196 HG2 GLU 458 HG2 GLU 458 6.404 3.971 7.096 197 HG3 GLU 458 HG1 GLU 458 8.039 3.494 6.636 198 H LYS 459 HN LYS 459 6.261 1.122 7.139 199 HA LYS 459 HA LYS 459 3.394 0.653 7.101 200 HB2 LYS 459 HB2 LYS 459 4.772 -1.191 7.809 201 HB3 LYS 459 HB1 LYS 459 5.557 -0.200 9.028 202 HG2 LYS 459 HG2 LYS 459 3.919 -1.750 9.989 203 HG3 LYS 459 HG1 LYS 459 3.499 -0.063 10.294 204 HD2 LYS 459 HD2 LYS 459 1.915 -0.138 8.413 205 HD3 LYS 459 HD1 LYS 459 2.320 -1.836 8.154 206 HE2 LYS 459 HE2 LYS 459 1.469 -2.399 10.361 207 HE3 LYS 459 HE1 LYS 459 1.131 -0.696 10.681 208 HZ1 LYS 459 HZ1 LYS 459 -0.507 -0.684 8.952 209 HZ2 LYS 459 HZ2 LYS 459 -0.846 -1.982 9.987 210 HZ3 LYS 459 HZ3 LYS 459 -0.112 -2.265 8.486 211 HA PRO 460 HA PRO 460 2.782 4.156 9.855 212 HB2 PRO 460 HB2 PRO 460 0.133 4.423 9.287 213 HB3 PRO 460 HB1 PRO 460 1.404 5.111 8.278 214 HG2 PRO 460 HG2 PRO 460 -0.342 2.806 7.773 215 HG3 PRO 460 HG1 PRO 460 0.551 3.814 6.627 216 HD2 PRO 460 HD2 PRO 460 1.249 1.222 7.586 217 HD3 PRO 460 HD1 PRO 460 2.186 2.268 6.505 Start of MODEL 5 1 H SER 433 HT1 SER 433 -11.542 4.121 6.310 2 HA SER 433 HA SER 433 -9.200 3.705 6.310 3 HB2 SER 433 HB2 SER 433 -9.307 1.372 7.124 4 HB3 SER 433 HB1 SER 433 -9.989 0.869 5.577 5 HG SER 433 HG SER 433 -7.779 0.493 5.549 6 H GLU 434 HN GLU 434 -8.578 4.774 4.565 7 HA GLU 434 HA GLU 434 -9.803 4.090 1.975 8 HB2 GLU 434 HB2 GLU 434 -8.906 6.304 1.239 9 HB3 GLU 434 HB1 GLU 434 -10.107 6.400 2.518 10 HG2 GLU 434 HG2 GLU 434 -8.381 6.776 4.164 11 HG3 GLU 434 HG1 GLU 434 -7.129 6.564 2.941 12 H TRP 435 HN TRP 435 -7.393 3.024 3.624 13 HA TRP 435 HA TRP 435 -5.271 3.328 1.637 14 HB2 TRP 435 HB2 TRP 435 -5.234 2.162 4.434 15 HB3 TRP 435 HB1 TRP 435 -3.832 2.277 3.372 16 HD1 TRP 435 HD1 TRP 435 -5.839 4.286 5.839 17 HE1 TRP 435 HE1 TRP 435 -4.858 6.665 6.011 18 HE3 TRP 435 HE3 TRP 435 -2.616 4.134 1.884 19 HZ2 TRP 435 HZ2 TRP 435 -2.977 8.252 4.665 20 HZ3 TRP 435 HZ3 TRP 435 -1.264 6.124 1.395 21 HH2 TRP 435 HH2 TRP 435 -1.445 8.142 2.749 22 H THR 436 HN THR 436 -4.733 1.737 0.286 23 HA THR 436 HA THR 436 -6.260 -0.734 0.384 24 HB THR 436 HB THR 436 -4.367 0.384 -1.685 25 HG1 THR 436 HG1 THR 436 -7.099 0.491 -1.259 26 HG21 THR 436 HG21 THR 436 -4.213 -2.058 -1.718 27 HG22 THR 436 HG22 THR 436 -5.091 -1.480 -3.136 28 HG23 THR 436 HG23 THR 436 -5.974 -2.179 -1.781 29 H GLU 437 HN GLU 437 -5.489 -2.490 1.333 30 HA GLU 437 HA GLU 437 -2.589 -2.901 1.441 31 HB2 GLU 437 HB2 GLU 437 -3.208 -4.841 2.947 32 HB3 GLU 437 HB1 GLU 437 -3.567 -3.243 3.586 33 HG2 GLU 437 HG2 GLU 437 -5.889 -3.493 3.123 34 HG3 GLU 437 HG1 GLU 437 -5.607 -4.971 2.205 35 H ARG 438 HN ARG 438 -1.815 -3.894 -0.363 36 HA ARG 438 HA ARG 438 -3.600 -5.893 -1.581 37 HB2 ARG 438 HB2 ARG 438 -1.572 -4.043 -2.782 38 HB3 ARG 438 HB1 ARG 438 -1.910 -5.590 -3.570 39 HG2 ARG 438 HG2 ARG 438 -4.409 -4.802 -3.261 40 HG3 ARG 438 HG1 ARG 438 -3.649 -3.210 -3.221 41 HD2 ARG 438 HD2 ARG 438 -2.504 -3.783 -5.357 42 HD3 ARG 438 HD1 ARG 438 -3.448 -5.269 -5.408 43 HE ARG 438 HE ARG 438 -5.182 -3.070 -5.121 44 HH11 ARG 438 HH11 ARG 438 -3.092 -4.602 -7.460 45 HH12 ARG 438 HH12 ARG 438 -3.967 -4.000 -8.839 46 HH21 ARG 438 HH21 ARG 438 -6.324 -2.237 -6.920 47 HH22 ARG 438 HH22 ARG 438 -5.789 -2.636 -8.528 48 H LYS 439 HN LYS 439 -3.161 -7.821 -0.930 49 HA LYS 439 HA LYS 439 -0.470 -8.435 -0.035 50 HB2 LYS 439 HB2 LYS 439 -1.583 -10.562 0.809 51 HB3 LYS 439 HB1 LYS 439 -2.038 -9.053 1.582 52 HG2 LYS 439 HG2 LYS 439 -3.993 -9.095 -0.151 53 HG3 LYS 439 HG1 LYS 439 -3.622 -10.820 -0.209 54 HD2 LYS 439 HD2 LYS 439 -5.321 -10.485 1.448 55 HD3 LYS 439 HD1 LYS 439 -3.812 -10.874 2.281 56 HE2 LYS 439 HE2 LYS 439 -3.441 -8.411 2.562 57 HE3 LYS 439 HE1 LYS 439 -5.068 -8.154 1.941 58 HZ1 LYS 439 HZ1 LYS 439 -5.859 -9.614 3.798 59 HZ2 LYS 439 HZ2 LYS 439 -5.201 -8.125 4.282 60 HZ3 LYS 439 HZ3 LYS 439 -4.285 -9.547 4.441 61 H THR 440 HN THR 440 0.726 -8.752 -1.752 62 HA THR 440 HA THR 440 -0.073 -10.644 -3.811 63 HB THR 440 HB THR 440 2.169 -10.121 -4.806 64 HG1 THR 440 HG1 THR 440 2.458 -8.861 -2.351 65 HG21 THR 440 HG21 THR 440 0.178 -8.863 -5.459 66 HG22 THR 440 HG22 THR 440 1.607 -7.830 -5.454 67 HG23 THR 440 HG23 THR 440 0.448 -7.735 -4.128 68 H ALA 441 HN ALA 441 1.044 -12.559 -4.298 69 HA ALA 441 HA ALA 441 1.581 -14.117 -1.993 70 HB1 ALA 441 HB1 ALA 441 1.831 -15.967 -3.535 71 HB2 ALA 441 HB2 ALA 441 1.941 -14.845 -4.891 72 HB3 ALA 441 HB3 ALA 441 0.438 -14.978 -3.976 73 H ASP 442 HN ASP 442 3.610 -11.954 -3.056 74 HA ASP 442 HA ASP 442 6.049 -13.515 -3.106 75 HB2 ASP 442 HB2 ASP 442 5.911 -11.471 -4.444 76 HB3 ASP 442 HB1 ASP 442 5.570 -10.521 -3.004 77 H GLY 443 HN GLY 443 3.901 -12.590 -0.787 78 HA2 GLY 443 HA2 GLY 443 4.110 -12.866 1.533 79 HA3 GLY 443 HA1 GLY 443 5.861 -12.848 1.355 80 H LYS 444 HN LYS 444 3.941 -10.441 -0.200 81 HA LYS 444 HA LYS 444 4.623 -8.465 1.846 82 HB2 LYS 444 HB2 LYS 444 5.533 -6.932 0.129 83 HB3 LYS 444 HB1 LYS 444 6.500 -8.388 0.299 84 HG2 LYS 444 HG2 LYS 444 5.607 -9.298 -1.729 85 HG3 LYS 444 HG1 LYS 444 4.433 -7.987 -1.851 86 HD2 LYS 444 HD2 LYS 444 6.222 -6.381 -2.180 87 HD3 LYS 444 HD1 LYS 444 7.430 -7.652 -1.972 88 HE2 LYS 444 HE2 LYS 444 7.097 -7.156 -4.335 89 HE3 LYS 444 HE1 LYS 444 6.567 -8.792 -3.956 90 HZ1 LYS 444 HZ1 LYS 444 4.839 -6.420 -4.370 91 HZ2 LYS 444 HZ2 LYS 444 4.271 -7.922 -3.836 92 HZ3 LYS 444 HZ3 LYS 444 4.964 -7.775 -5.376 93 H THR 445 HN THR 445 2.996 -7.141 2.219 94 HA THR 445 HA THR 445 0.963 -6.755 0.134 95 HB THR 445 HB THR 445 0.235 -7.432 2.490 96 HG1 THR 445 HG1 THR 445 -1.249 -6.478 1.072 97 HG21 THR 445 HG21 THR 445 0.100 -5.630 4.154 98 HG22 THR 445 HG22 THR 445 1.033 -4.581 3.087 99 HG23 THR 445 HG23 THR 445 1.769 -6.030 3.764 100 H TYR 446 HN TYR 446 0.355 -4.562 -0.441 101 HA TYR 446 HA TYR 446 2.318 -2.598 0.462 102 HB2 TYR 446 HB2 TYR 446 2.452 -1.616 -1.808 103 HB3 TYR 446 HB1 TYR 446 3.172 -3.205 -1.670 104 HD1 TYR 446 HD1 TYR 446 0.057 -1.504 -2.840 105 HD2 TYR 446 HD2 TYR 446 2.665 -4.837 -3.234 106 HE1 TYR 446 HE1 TYR 446 -1.108 -2.154 -4.891 107 HE2 TYR 446 HE2 TYR 446 1.482 -5.517 -5.279 108 HH TYR 446 HH TYR 446 -0.615 -3.482 -6.950 109 H TYR 447 HN TYR 447 1.594 -0.660 0.913 110 HA TYR 447 HA TYR 447 -1.295 -0.372 0.931 111 HB2 TYR 447 HB2 TYR 447 0.823 1.363 2.225 112 HB3 TYR 447 HB1 TYR 447 -0.915 1.464 2.495 113 HD1 TYR 447 HD1 TYR 447 -1.828 -1.176 2.975 114 HD2 TYR 447 HD2 TYR 447 1.901 0.544 4.087 115 HE1 TYR 447 HE1 TYR 447 -1.630 -2.804 4.814 116 HE2 TYR 447 HE2 TYR 447 2.098 -1.071 5.933 117 HH TYR 447 HH TYR 447 0.005 -3.793 6.238 118 H TYR 448 HN TYR 448 -2.177 0.536 -0.745 119 HA TYR 448 HA TYR 448 -0.648 2.324 -2.442 120 HB2 TYR 448 HB2 TYR 448 -2.187 0.408 -3.235 121 HB3 TYR 448 HB1 TYR 448 -3.517 1.492 -2.853 122 HD1 TYR 448 HD1 TYR 448 -3.867 3.548 -4.181 123 HD2 TYR 448 HD2 TYR 448 -0.797 0.765 -5.147 124 HE1 TYR 448 HE1 TYR 448 -3.658 4.561 -6.412 125 HE2 TYR 448 HE2 TYR 448 -0.577 1.770 -7.377 126 HH TYR 448 HH TYR 448 -1.906 4.738 -8.210 127 H ASN 449 HN ASN 449 -0.744 4.444 -2.289 128 HA ASN 449 HA ASN 449 -2.635 5.654 -0.433 129 HB2 ASN 449 HB2 ASN 449 -0.159 6.160 -0.378 130 HB3 ASN 449 HB1 ASN 449 -0.355 6.971 -1.927 131 HD21 ASN 449 HD21 ASN 449 0.501 8.011 0.658 132 HD22 ASN 449 HD22 ASN 449 -0.596 9.290 1.052 133 H ASN 450 HN ASN 450 -4.467 6.441 -1.146 134 HA ASN 450 HA ASN 450 -4.982 6.697 -3.957 135 HB2 ASN 450 HB2 ASN 450 -7.268 7.056 -3.349 136 HB3 ASN 450 HB1 ASN 450 -6.640 5.833 -2.250 137 HD21 ASN 450 HD21 ASN 450 -6.370 6.339 -0.070 138 HD22 ASN 450 HD22 ASN 450 -7.043 7.770 0.642 139 H ARG 451 HN ARG 451 -3.747 8.777 -1.612 140 HA ARG 451 HA ARG 451 -5.000 11.178 -2.616 141 HB2 ARG 451 HB2 ARG 451 -2.808 10.825 -0.572 142 HB3 ARG 451 HB1 ARG 451 -3.616 12.343 -0.943 143 HG2 ARG 451 HG2 ARG 451 -4.947 9.878 0.166 144 HG3 ARG 451 HG1 ARG 451 -4.495 11.314 1.089 145 HD2 ARG 451 HD2 ARG 451 -6.048 12.667 -0.099 146 HD3 ARG 451 HD1 ARG 451 -6.344 11.394 -1.284 147 HE ARG 451 HE ARG 451 -7.039 10.350 1.195 148 HH11 ARG 451 HH11 ARG 451 -8.067 12.990 -0.881 149 HH12 ARG 451 HH12 ARG 451 -9.728 12.911 -0.363 150 HH21 ARG 451 HH21 ARG 451 -9.212 10.250 1.874 151 HH22 ARG 451 HH22 ARG 451 -10.379 11.364 1.207 152 H THR 452 HN THR 452 -1.933 9.523 -2.923 153 HA THR 452 HA THR 452 -1.078 11.607 -4.818 154 HB THR 452 HB THR 452 1.272 10.645 -4.259 155 HG1 THR 452 HG1 THR 452 1.423 9.666 -2.263 156 HG21 THR 452 HG21 THR 452 0.570 12.916 -3.701 157 HG22 THR 452 HG22 THR 452 1.493 12.212 -2.372 158 HG23 THR 452 HG23 THR 452 -0.263 12.318 -2.266 159 H ALA 453 HN ALA 453 -2.229 8.543 -4.645 160 HA ALA 453 HA ALA 453 -2.348 6.767 -6.055 161 HB1 ALA 453 HB1 ALA 453 -2.824 8.458 -7.748 162 HB2 ALA 453 HB2 ALA 453 -1.879 7.131 -8.430 163 HB3 ALA 453 HB3 ALA 453 -1.097 8.663 -8.041 164 H GLU 454 HN GLU 454 -0.096 7.019 -4.334 165 HA GLU 454 HA GLU 454 2.087 5.839 -5.932 166 HB2 GLU 454 HB2 GLU 454 3.673 6.764 -4.418 167 HB3 GLU 454 HB1 GLU 454 2.559 8.060 -4.825 168 HG2 GLU 454 HG2 GLU 454 1.410 7.778 -2.715 169 HG3 GLU 454 HG1 GLU 454 2.441 6.407 -2.314 170 H SER 455 HN SER 455 3.205 4.036 -5.072 171 HA SER 455 HA SER 455 1.648 2.517 -3.137 172 HB2 SER 455 HB2 SER 455 3.227 0.670 -3.695 173 HB3 SER 455 HB1 SER 455 2.415 1.325 -5.116 174 HG SER 455 HG SER 455 4.810 2.540 -4.457 175 H THR 456 HN THR 456 1.996 2.969 -1.089 176 HA THR 456 HA THR 456 4.608 3.869 -0.167 177 HB THR 456 HB THR 456 2.017 3.623 1.377 178 HG1 THR 456 HG1 THR 456 2.986 5.571 -0.385 179 HG21 THR 456 HG21 THR 456 3.913 3.774 2.849 180 HG22 THR 456 HG22 THR 456 3.099 5.338 2.834 181 HG23 THR 456 HG23 THR 456 4.588 5.109 1.918 182 H TRP 457 HN TRP 457 6.016 2.451 0.639 183 HA TRP 457 HA TRP 457 5.012 -0.153 1.551 184 HB2 TRP 457 HB2 TRP 457 7.761 0.662 0.582 185 HB3 TRP 457 HB1 TRP 457 7.340 -0.951 1.159 186 HD1 TRP 457 HD1 TRP 457 6.562 1.472 -1.728 187 HE1 TRP 457 HE1 TRP 457 5.694 0.113 -3.731 188 HE3 TRP 457 HE3 TRP 457 6.339 -3.136 0.468 189 HZ2 TRP 457 HZ2 TRP 457 4.986 -2.566 -4.295 190 HZ3 TRP 457 HZ3 TRP 457 5.564 -5.048 -0.872 191 HH2 TRP 457 HH2 TRP 457 4.910 -4.771 -3.209 192 H GLU 458 HN GLU 458 5.882 2.708 2.795 193 HA GLU 458 HA GLU 458 7.269 1.727 5.149 194 HB2 GLU 458 HB2 GLU 458 6.154 4.481 4.564 195 HB3 GLU 458 HB1 GLU 458 7.279 4.061 5.850 196 HG2 GLU 458 HG2 GLU 458 8.997 3.544 4.249 197 HG3 GLU 458 HG1 GLU 458 7.873 3.796 2.913 198 H LYS 459 HN LYS 459 6.326 1.537 7.174 199 HA LYS 459 HA LYS 459 3.584 0.776 7.163 200 HB2 LYS 459 HB2 LYS 459 5.212 -0.396 8.515 201 HB3 LYS 459 HB1 LYS 459 5.595 1.069 9.398 202 HG2 LYS 459 HG2 LYS 459 4.268 -0.265 10.818 203 HG3 LYS 459 HG1 LYS 459 3.240 1.053 10.259 204 HD2 LYS 459 HD2 LYS 459 3.154 -1.368 8.593 205 HD3 LYS 459 HD1 LYS 459 2.541 -1.577 10.236 206 HE2 LYS 459 HE2 LYS 459 1.059 0.353 9.905 207 HE3 LYS 459 HE1 LYS 459 1.649 0.513 8.254 208 HZ1 LYS 459 HZ1 LYS 459 0.164 -1.807 9.365 209 HZ2 LYS 459 HZ2 LYS 459 0.774 -1.712 7.785 210 HZ3 LYS 459 HZ3 LYS 459 -0.443 -0.644 8.292 211 HA PRO 460 HA PRO 460 2.086 4.769 8.691 212 HB2 PRO 460 HB2 PRO 460 -0.307 4.635 7.379 213 HB3 PRO 460 HB1 PRO 460 1.167 5.273 6.652 214 HG2 PRO 460 HG2 PRO 460 -0.268 2.835 6.017 215 HG3 PRO 460 HG1 PRO 460 1.087 3.581 5.158 216 HD2 PRO 460 HD2 PRO 460 1.094 1.346 7.047 217 HD3 PRO 460 HD1 PRO 460 2.363 1.877 5.926 Start of MODEL 6 1 H SER 433 HT1 SER 433 -11.519 2.362 5.330 2 HA SER 433 HA SER 433 -10.469 4.459 4.911 3 HB2 SER 433 HB2 SER 433 -8.135 3.828 5.742 4 HB3 SER 433 HB1 SER 433 -9.489 3.251 6.712 5 HG SER 433 HG SER 433 -7.834 1.654 6.262 6 H GLU 434 HN GLU 434 -8.479 5.523 4.012 7 HA GLU 434 HA GLU 434 -8.520 5.157 1.184 8 HB2 GLU 434 HB2 GLU 434 -6.730 6.901 2.879 9 HB3 GLU 434 HB1 GLU 434 -6.951 7.037 1.141 10 HG2 GLU 434 HG2 GLU 434 -9.111 7.853 1.355 11 HG3 GLU 434 HG1 GLU 434 -9.271 7.271 3.011 12 H TRP 435 HN TRP 435 -6.325 4.246 3.742 13 HA TRP 435 HA TRP 435 -4.242 3.563 1.831 14 HB2 TRP 435 HB2 TRP 435 -4.154 3.256 4.841 15 HB3 TRP 435 HB1 TRP 435 -2.788 3.280 3.725 16 HD1 TRP 435 HD1 TRP 435 -4.720 5.509 5.945 17 HE1 TRP 435 HE1 TRP 435 -4.164 7.976 5.483 18 HE3 TRP 435 HE3 TRP 435 -2.192 4.965 1.539 19 HZ2 TRP 435 HZ2 TRP 435 -2.843 9.497 3.504 20 HZ3 TRP 435 HZ3 TRP 435 -1.331 6.975 0.416 21 HH2 TRP 435 HH2 TRP 435 -1.663 9.196 1.358 22 H THR 436 HN THR 436 -4.703 1.777 0.769 23 HA THR 436 HA THR 436 -6.008 -0.463 2.088 24 HB THR 436 HB THR 436 -5.263 0.060 -0.791 25 HG1 THR 436 HG1 THR 436 -7.150 1.082 0.433 26 HG21 THR 436 HG21 THR 436 -5.115 -2.349 -0.386 27 HG22 THR 436 HG22 THR 436 -6.544 -1.975 -1.352 28 HG23 THR 436 HG23 THR 436 -6.712 -2.333 0.367 29 H GLU 437 HN GLU 437 -5.034 -2.341 2.620 30 HA GLU 437 HA GLU 437 -2.197 -2.605 2.074 31 HB2 GLU 437 HB2 GLU 437 -2.433 -4.694 3.501 32 HB3 GLU 437 HB1 GLU 437 -2.718 -3.167 4.309 33 HG2 GLU 437 HG2 GLU 437 -4.421 -4.427 5.146 34 HG3 GLU 437 HG1 GLU 437 -5.219 -3.689 3.760 35 H ARG 438 HN ARG 438 -1.459 -3.653 0.367 36 HA ARG 438 HA ARG 438 -3.422 -5.194 -1.166 37 HB2 ARG 438 HB2 ARG 438 -0.933 -3.703 -1.942 38 HB3 ARG 438 HB1 ARG 438 -1.566 -4.979 -2.979 39 HG2 ARG 438 HG2 ARG 438 -3.742 -3.781 -3.036 40 HG3 ARG 438 HG1 ARG 438 -2.991 -2.467 -2.129 41 HD2 ARG 438 HD2 ARG 438 -3.064 -2.053 -4.566 42 HD3 ARG 438 HD1 ARG 438 -1.426 -2.066 -3.913 43 HE ARG 438 HE ARG 438 -1.859 -4.630 -4.772 44 HH11 ARG 438 HH11 ARG 438 -2.036 -1.479 -6.291 45 HH12 ARG 438 HH12 ARG 438 -1.499 -2.054 -7.837 46 HH21 ARG 438 HH21 ARG 438 -1.199 -5.403 -6.811 47 HH22 ARG 438 HH22 ARG 438 -1.069 -4.296 -8.151 48 H LYS 439 HN LYS 439 -3.377 -7.264 -0.942 49 HA LYS 439 HA LYS 439 -0.986 -8.528 0.095 50 HB2 LYS 439 HB2 LYS 439 -2.430 -10.549 0.347 51 HB3 LYS 439 HB1 LYS 439 -3.011 -9.153 1.236 52 HG2 LYS 439 HG2 LYS 439 -4.099 -9.883 -1.468 53 HG3 LYS 439 HG1 LYS 439 -4.729 -10.582 0.020 54 HD2 LYS 439 HD2 LYS 439 -4.501 -7.630 -0.081 55 HD3 LYS 439 HD1 LYS 439 -5.736 -8.368 -1.099 56 HE2 LYS 439 HE2 LYS 439 -6.728 -7.799 1.004 57 HE3 LYS 439 HE1 LYS 439 -6.602 -9.552 0.901 58 HZ1 LYS 439 HZ1 LYS 439 -4.583 -9.408 2.283 59 HZ2 LYS 439 HZ2 LYS 439 -5.964 -8.835 3.070 60 HZ3 LYS 439 HZ3 LYS 439 -4.829 -7.735 2.453 61 H THR 440 HN THR 440 0.330 -8.415 -1.649 62 HA THR 440 HA THR 440 -0.413 -9.788 -4.097 63 HB THR 440 HB THR 440 2.236 -8.544 -3.313 64 HG1 THR 440 HG1 THR 440 -0.015 -7.502 -4.740 65 HG21 THR 440 HG21 THR 440 1.147 -9.334 -6.019 66 HG22 THR 440 HG22 THR 440 2.433 -10.162 -5.139 67 HG23 THR 440 HG23 THR 440 2.683 -8.517 -5.720 68 H ALA 441 HN ALA 441 0.176 -11.805 -4.653 69 HA ALA 441 HA ALA 441 0.948 -13.611 -2.605 70 HB1 ALA 441 HB1 ALA 441 0.772 -15.326 -4.305 71 HB2 ALA 441 HB2 ALA 441 0.765 -14.101 -5.573 72 HB3 ALA 441 HB3 ALA 441 -0.578 -14.198 -4.433 73 H ASP 442 HN ASP 442 2.865 -11.570 -4.305 74 HA ASP 442 HA ASP 442 5.125 -13.286 -4.766 75 HB2 ASP 442 HB2 ASP 442 4.733 -11.249 -6.116 76 HB3 ASP 442 HB1 ASP 442 4.961 -10.261 -4.679 77 H GLY 443 HN GLY 443 3.713 -12.165 -2.027 78 HA2 GLY 443 HA2 GLY 443 4.482 -12.600 0.144 79 HA3 GLY 443 HA1 GLY 443 6.122 -12.696 -0.480 80 H LYS 444 HN LYS 444 3.814 -10.080 -0.986 81 HA LYS 444 HA LYS 444 5.139 -8.429 0.977 82 HB2 LYS 444 HB2 LYS 444 5.463 -6.572 -0.739 83 HB3 LYS 444 HB1 LYS 444 6.616 -7.896 -0.762 84 HG2 LYS 444 HG2 LYS 444 5.810 -8.740 -2.762 85 HG3 LYS 444 HG1 LYS 444 4.242 -7.944 -2.581 86 HD2 LYS 444 HD2 LYS 444 5.173 -5.811 -3.063 87 HD3 LYS 444 HD1 LYS 444 6.820 -6.430 -2.945 88 HE2 LYS 444 HE2 LYS 444 4.953 -7.568 -4.976 89 HE3 LYS 444 HE1 LYS 444 5.722 -6.010 -5.277 90 HZ1 LYS 444 HZ1 LYS 444 7.883 -7.152 -4.805 91 HZ2 LYS 444 HZ2 LYS 444 7.103 -7.649 -6.223 92 HZ3 LYS 444 HZ3 LYS 444 7.051 -8.633 -4.842 93 H THR 445 HN THR 445 3.619 -7.436 2.047 94 HA THR 445 HA THR 445 1.153 -6.621 0.666 95 HB THR 445 HB THR 445 1.593 -6.635 3.657 96 HG1 THR 445 HG1 THR 445 1.544 -8.774 2.073 97 HG21 THR 445 HG21 THR 445 -0.907 -6.808 1.974 98 HG22 THR 445 HG22 THR 445 -0.316 -5.360 2.789 99 HG23 THR 445 HG23 THR 445 -0.836 -6.755 3.737 100 H TYR 446 HN TYR 446 0.678 -4.423 0.486 101 HA TYR 446 HA TYR 446 2.417 -2.532 1.862 102 HB2 TYR 446 HB2 TYR 446 2.951 -1.432 -0.390 103 HB3 TYR 446 HB1 TYR 446 3.825 -2.904 0.012 104 HD1 TYR 446 HD1 TYR 446 1.114 -1.506 -2.081 105 HD2 TYR 446 HD2 TYR 446 3.614 -4.864 -1.321 106 HE1 TYR 446 HE1 TYR 446 0.434 -2.486 -4.225 107 HE2 TYR 446 HE2 TYR 446 2.933 -5.858 -3.462 108 HH TYR 446 HH TYR 446 1.102 -5.734 -5.043 109 H TYR 447 HN TYR 447 1.665 -0.382 1.806 110 HA TYR 447 HA TYR 447 -1.228 -0.335 1.491 111 HB2 TYR 447 HB2 TYR 447 0.571 1.736 2.761 112 HB3 TYR 447 HB1 TYR 447 -1.182 1.642 2.893 113 HD1 TYR 447 HD1 TYR 447 -1.783 -1.065 3.522 114 HD2 TYR 447 HD2 TYR 447 1.548 1.253 4.802 115 HE1 TYR 447 HE1 TYR 447 -1.548 -2.505 5.500 116 HE2 TYR 447 HE2 TYR 447 1.784 -0.178 6.790 117 HH TYR 447 HH TYR 447 0.197 -3.166 7.095 118 H TYR 448 HN TYR 448 -1.809 0.089 -0.528 119 HA TYR 448 HA TYR 448 -0.487 2.301 -1.946 120 HB2 TYR 448 HB2 TYR 448 -0.603 -0.045 -2.970 121 HB3 TYR 448 HB1 TYR 448 -2.331 0.233 -3.150 122 HD1 TYR 448 HD1 TYR 448 -3.046 2.299 -4.518 123 HD2 TYR 448 HD2 TYR 448 0.880 0.663 -4.614 124 HE1 TYR 448 HE1 TYR 448 -2.643 3.416 -6.666 125 HE2 TYR 448 HE2 TYR 448 1.298 1.786 -6.766 126 HH TYR 448 HH TYR 448 0.014 2.677 -8.654 127 H ASN 449 HN ASN 449 -1.603 4.123 -2.375 128 HA ASN 449 HA ASN 449 -4.526 4.069 -1.968 129 HB2 ASN 449 HB2 ASN 449 -3.240 5.270 -0.161 130 HB3 ASN 449 HB1 ASN 449 -2.721 6.419 -1.388 131 HD21 ASN 449 HD21 ASN 449 -4.173 7.088 0.914 132 HD22 ASN 449 HD22 ASN 449 -5.717 7.691 0.420 133 H ASN 450 HN ASN 450 -5.697 4.749 -3.621 134 HA ASN 450 HA ASN 450 -4.508 5.556 -6.067 135 HB2 ASN 450 HB2 ASN 450 -6.712 5.615 -6.971 136 HB3 ASN 450 HB1 ASN 450 -6.647 4.259 -5.859 137 HD21 ASN 450 HD21 ASN 450 -6.917 5.977 -3.462 138 HD22 ASN 450 HD22 ASN 450 -8.570 6.493 -3.442 139 H ARG 451 HN ARG 451 -5.131 7.324 -3.309 140 HA ARG 451 HA ARG 451 -6.105 9.762 -4.193 141 HB2 ARG 451 HB2 ARG 451 -5.632 9.006 -1.811 142 HB3 ARG 451 HB1 ARG 451 -3.968 9.481 -2.097 143 HG2 ARG 451 HG2 ARG 451 -6.287 11.374 -2.396 144 HG3 ARG 451 HG1 ARG 451 -5.406 11.151 -0.884 145 HD2 ARG 451 HD2 ARG 451 -3.321 11.766 -2.076 146 HD3 ARG 451 HD1 ARG 451 -4.282 12.106 -3.512 147 HE ARG 451 HE ARG 451 -5.473 13.747 -1.876 148 HH11 ARG 451 HH11 ARG 451 -2.067 12.978 -2.042 149 HH12 ARG 451 HH12 ARG 451 -1.539 14.526 -1.455 150 HH21 ARG 451 HH21 ARG 451 -4.790 15.826 -1.142 151 HH22 ARG 451 HH22 ARG 451 -3.091 16.161 -0.981 152 H THR 452 HN THR 452 -2.703 8.802 -3.862 153 HA THR 452 HA THR 452 -2.004 10.918 -5.790 154 HB THR 452 HB THR 452 -0.017 9.869 -3.803 155 HG1 THR 452 HG1 THR 452 -0.718 11.324 -2.265 156 HG21 THR 452 HG21 THR 452 0.879 12.160 -4.018 157 HG22 THR 452 HG22 THR 452 -0.427 12.550 -5.139 158 HG23 THR 452 HG23 THR 452 0.777 11.337 -5.574 159 H ALA 453 HN ALA 453 -2.431 7.730 -5.625 160 HA ALA 453 HA ALA 453 -1.515 5.812 -6.426 161 HB1 ALA 453 HB1 ALA 453 0.189 7.668 -8.104 162 HB2 ALA 453 HB2 ALA 453 -1.371 6.988 -8.571 163 HB3 ALA 453 HB3 ALA 453 0.019 5.928 -8.341 164 H GLU 454 HN GLU 454 -0.747 6.643 -4.042 165 HA GLU 454 HA GLU 454 2.145 6.867 -3.853 166 HB2 GLU 454 HB2 GLU 454 0.424 8.284 -2.551 167 HB3 GLU 454 HB1 GLU 454 0.189 6.851 -1.561 168 HG2 GLU 454 HG2 GLU 454 1.737 8.102 -0.373 169 HG3 GLU 454 HG1 GLU 454 2.723 6.906 -1.215 170 H SER 455 HN SER 455 3.374 5.132 -3.521 171 HA SER 455 HA SER 455 2.138 2.731 -2.405 172 HB2 SER 455 HB2 SER 455 4.296 1.627 -3.090 173 HB3 SER 455 HB1 SER 455 3.364 2.306 -4.423 174 HG SER 455 HG SER 455 5.465 3.714 -3.135 175 H THR 456 HN THR 456 2.059 2.882 -0.275 176 HA THR 456 HA THR 456 4.300 3.960 1.229 177 HB THR 456 HB THR 456 1.647 2.895 2.227 178 HG1 THR 456 HG1 THR 456 2.495 5.531 1.544 179 HG21 THR 456 HG21 THR 456 3.356 2.963 3.963 180 HG22 THR 456 HG22 THR 456 2.160 4.230 4.233 181 HG23 THR 456 HG23 THR 456 3.733 4.635 3.549 182 H TRP 457 HN TRP 457 5.925 2.622 1.575 183 HA TRP 457 HA TRP 457 5.379 -0.226 2.045 184 HB2 TRP 457 HB2 TRP 457 7.933 1.187 1.235 185 HB3 TRP 457 HB1 TRP 457 7.821 -0.535 1.586 186 HD1 TRP 457 HD1 TRP 457 6.752 2.056 -1.034 187 HE1 TRP 457 HE1 TRP 457 6.117 0.812 -3.202 188 HE3 TRP 457 HE3 TRP 457 7.008 -2.753 0.685 189 HZ2 TRP 457 HZ2 TRP 457 5.758 -1.847 -4.053 190 HZ3 TRP 457 HZ3 TRP 457 6.506 -4.592 -0.875 191 HH2 TRP 457 HH2 TRP 457 5.898 -4.144 -3.197 192 H GLU 458 HN GLU 458 6.144 2.647 3.568 193 HA GLU 458 HA GLU 458 7.432 1.401 5.859 194 HB2 GLU 458 HB2 GLU 458 7.356 3.703 6.824 195 HB3 GLU 458 HB1 GLU 458 8.207 3.616 5.290 196 HG2 GLU 458 HG2 GLU 458 5.319 4.357 5.311 197 HG3 GLU 458 HG1 GLU 458 6.523 5.550 5.793 198 H LYS 459 HN LYS 459 6.469 1.343 7.942 199 HA LYS 459 HA LYS 459 3.608 0.901 7.817 200 HB2 LYS 459 HB2 LYS 459 5.010 -0.764 8.925 201 HB3 LYS 459 HB1 LYS 459 5.601 0.450 10.049 202 HG2 LYS 459 HG2 LYS 459 3.907 -1.015 11.046 203 HG3 LYS 459 HG1 LYS 459 3.405 0.677 11.023 204 HD2 LYS 459 HD2 LYS 459 2.023 0.261 9.064 205 HD3 LYS 459 HD1 LYS 459 2.564 -1.418 9.018 206 HE2 LYS 459 HE2 LYS 459 1.510 -1.865 11.133 207 HE3 LYS 459 HE1 LYS 459 1.087 -0.162 11.322 208 HZ1 LYS 459 HZ1 LYS 459 0.118 -1.807 9.055 209 HZ2 LYS 459 HZ2 LYS 459 -0.453 -0.293 9.571 210 HZ3 LYS 459 HZ3 LYS 459 -0.733 -1.672 10.518 211 HA PRO 460 HA PRO 460 2.985 4.866 9.873 212 HB2 PRO 460 HB2 PRO 460 0.469 5.258 8.930 213 HB3 PRO 460 HB1 PRO 460 1.913 5.616 7.983 214 HG2 PRO 460 HG2 PRO 460 -0.035 3.448 7.667 215 HG3 PRO 460 HG1 PRO 460 1.118 4.100 6.495 216 HD2 PRO 460 HD2 PRO 460 1.350 1.710 8.084 217 HD3 PRO 460 HD1 PRO 460 2.483 2.347 6.876 Start of MODEL 7 1 H SER 433 HT1 SER 433 -12.865 3.231 3.799 2 HA SER 433 HA SER 433 -10.498 2.847 4.032 3 HB2 SER 433 HB2 SER 433 -11.704 1.793 1.460 4 HB3 SER 433 HB1 SER 433 -10.295 1.111 2.273 5 HG SER 433 HG SER 433 -11.552 0.167 3.669 6 H GLU 434 HN GLU 434 -8.869 4.230 3.819 7 HA GLU 434 HA GLU 434 -8.446 5.522 1.214 8 HB2 GLU 434 HB2 GLU 434 -7.364 6.293 3.933 9 HB3 GLU 434 HB1 GLU 434 -7.137 7.194 2.443 10 HG2 GLU 434 HG2 GLU 434 -8.822 8.305 3.662 11 HG3 GLU 434 HG1 GLU 434 -9.630 7.467 2.339 12 H TRP 435 HN TRP 435 -7.328 2.993 2.998 13 HA TRP 435 HA TRP 435 -4.672 3.124 1.743 14 HB2 TRP 435 HB2 TRP 435 -5.320 1.944 4.461 15 HB3 TRP 435 HB1 TRP 435 -3.736 1.955 3.690 16 HD1 TRP 435 HD1 TRP 435 -5.689 3.835 6.148 17 HE1 TRP 435 HE1 TRP 435 -4.657 6.158 6.584 18 HE3 TRP 435 HE3 TRP 435 -2.491 4.047 2.173 19 HZ2 TRP 435 HZ2 TRP 435 -2.749 7.852 5.383 20 HZ3 TRP 435 HZ3 TRP 435 -1.102 6.051 1.886 21 HH2 TRP 435 HH2 TRP 435 -1.233 7.917 3.451 22 H THR 436 HN THR 436 -4.629 1.629 0.179 23 HA THR 436 HA THR 436 -6.144 -0.840 0.503 24 HB THR 436 HB THR 436 -4.469 0.197 -1.791 25 HG1 THR 436 HG1 THR 436 -6.992 0.576 -1.071 26 HG21 THR 436 HG21 THR 436 -6.041 -2.391 -1.646 27 HG22 THR 436 HG22 THR 436 -4.281 -2.263 -1.671 28 HG23 THR 436 HG23 THR 436 -5.225 -1.755 -3.074 29 H GLU 437 HN GLU 437 -5.213 -2.352 1.738 30 HA GLU 437 HA GLU 437 -2.337 -2.741 1.573 31 HB2 GLU 437 HB2 GLU 437 -2.678 -4.465 3.298 32 HB3 GLU 437 HB1 GLU 437 -3.375 -2.928 3.783 33 HG2 GLU 437 HG2 GLU 437 -5.173 -4.111 4.322 34 HG3 GLU 437 HG1 GLU 437 -5.493 -4.188 2.590 35 H ARG 438 HN ARG 438 -1.451 -4.120 0.144 36 HA ARG 438 HA ARG 438 -3.338 -5.945 -1.172 37 HB2 ARG 438 HB2 ARG 438 -1.356 -4.086 -2.275 38 HB3 ARG 438 HB1 ARG 438 -1.216 -5.730 -2.918 39 HG2 ARG 438 HG2 ARG 438 -3.545 -5.725 -3.572 40 HG3 ARG 438 HG1 ARG 438 -3.768 -4.132 -2.853 41 HD2 ARG 438 HD2 ARG 438 -2.392 -3.110 -4.465 42 HD3 ARG 438 HD1 ARG 438 -1.787 -4.659 -5.052 43 HE ARG 438 HE ARG 438 -4.647 -4.186 -5.323 44 HH11 ARG 438 HH11 ARG 438 -1.469 -4.164 -6.814 45 HH12 ARG 438 HH12 ARG 438 -2.089 -4.091 -8.439 46 HH21 ARG 438 HH21 ARG 438 -5.469 -4.129 -7.474 47 HH22 ARG 438 HH22 ARG 438 -4.355 -4.135 -8.814 48 H LYS 439 HN LYS 439 -3.125 -7.834 -0.305 49 HA LYS 439 HA LYS 439 -0.521 -8.775 0.558 50 HB2 LYS 439 HB2 LYS 439 -3.217 -10.136 0.710 51 HB3 LYS 439 HB1 LYS 439 -1.741 -10.686 1.483 52 HG2 LYS 439 HG2 LYS 439 -1.729 -8.684 2.885 53 HG3 LYS 439 HG1 LYS 439 -3.215 -8.135 2.107 54 HD2 LYS 439 HD2 LYS 439 -2.903 -10.704 3.665 55 HD3 LYS 439 HD1 LYS 439 -3.640 -9.223 4.276 56 HE2 LYS 439 HE2 LYS 439 -4.628 -10.691 1.839 57 HE3 LYS 439 HE1 LYS 439 -5.248 -10.979 3.463 58 HZ1 LYS 439 HZ1 LYS 439 -6.490 -9.336 1.972 59 HZ2 LYS 439 HZ2 LYS 439 -5.225 -8.254 2.313 60 HZ3 LYS 439 HZ3 LYS 439 -6.178 -8.872 3.569 61 H THR 440 HN THR 440 0.523 -9.053 -1.371 62 HA THR 440 HA THR 440 -0.548 -10.952 -3.289 63 HB THR 440 HB THR 440 1.515 -10.541 -4.562 64 HG1 THR 440 HG1 THR 440 2.191 -8.956 -2.286 65 HG21 THR 440 HG21 THR 440 0.203 -8.013 -3.561 66 HG22 THR 440 HG22 THR 440 -0.390 -9.040 -4.866 67 HG23 THR 440 HG23 THR 440 1.133 -8.170 -5.051 68 H ALA 441 HN ALA 441 0.394 -12.941 -3.794 69 HA ALA 441 HA ALA 441 1.297 -14.370 -1.475 70 HB1 ALA 441 HB1 ALA 441 0.939 -15.338 -4.307 71 HB2 ALA 441 HB2 ALA 441 -0.300 -15.345 -3.052 72 HB3 ALA 441 HB3 ALA 441 1.138 -16.349 -2.877 73 H ASP 442 HN ASP 442 3.009 -12.385 -3.195 74 HA ASP 442 HA ASP 442 5.365 -14.002 -3.689 75 HB2 ASP 442 HB2 ASP 442 4.708 -11.992 -5.084 76 HB3 ASP 442 HB1 ASP 442 5.106 -10.986 -3.696 77 H GLY 443 HN GLY 443 3.842 -12.791 -1.054 78 HA2 GLY 443 HA2 GLY 443 4.588 -12.957 1.160 79 HA3 GLY 443 HA1 GLY 443 6.246 -12.987 0.576 80 H LYS 444 HN LYS 444 3.780 -10.612 -0.282 81 HA LYS 444 HA LYS 444 5.021 -8.620 1.417 82 HB2 LYS 444 HB2 LYS 444 5.518 -7.089 -0.457 83 HB3 LYS 444 HB1 LYS 444 6.484 -8.557 -0.518 84 HG2 LYS 444 HG2 LYS 444 4.778 -9.451 -2.151 85 HG3 LYS 444 HG1 LYS 444 4.133 -7.812 -2.223 86 HD2 LYS 444 HD2 LYS 444 6.296 -6.988 -2.984 87 HD3 LYS 444 HD1 LYS 444 6.962 -8.623 -2.886 88 HE2 LYS 444 HE2 LYS 444 4.950 -9.211 -4.453 89 HE3 LYS 444 HE1 LYS 444 4.985 -7.486 -4.814 90 HZ1 LYS 444 HZ1 LYS 444 6.312 -8.792 -6.369 91 HZ2 LYS 444 HZ2 LYS 444 7.282 -9.343 -5.094 92 HZ3 LYS 444 HZ3 LYS 444 7.277 -7.694 -5.505 93 H THR 445 HN THR 445 3.412 -7.566 2.309 94 HA THR 445 HA THR 445 1.003 -6.957 0.747 95 HB THR 445 HB THR 445 1.522 -6.536 3.703 96 HG1 THR 445 HG1 THR 445 0.574 -8.449 4.047 97 HG21 THR 445 HG21 THR 445 -0.910 -6.223 3.857 98 HG22 THR 445 HG22 THR 445 -1.037 -6.377 2.105 99 HG23 THR 445 HG23 THR 445 -0.165 -5.015 2.807 100 H TYR 446 HN TYR 446 0.686 -4.877 -0.005 101 HA TYR 446 HA TYR 446 2.477 -2.844 1.108 102 HB2 TYR 446 HB2 TYR 446 2.928 -1.935 -1.138 103 HB3 TYR 446 HB1 TYR 446 3.594 -3.537 -0.894 104 HD1 TYR 446 HD1 TYR 446 0.641 -1.818 -2.417 105 HD2 TYR 446 HD2 TYR 446 3.262 -5.163 -2.517 106 HE1 TYR 446 HE1 TYR 446 -0.299 -2.475 -4.573 107 HE2 TYR 446 HE2 TYR 446 2.289 -5.862 -4.667 108 HH TYR 446 HH TYR 446 0.564 -5.526 -6.124 109 H TYR 447 HN TYR 447 1.732 -0.776 1.161 110 HA TYR 447 HA TYR 447 -1.182 -0.644 0.962 111 HB2 TYR 447 HB2 TYR 447 0.628 1.311 2.390 112 HB3 TYR 447 HB1 TYR 447 -1.098 1.056 2.630 113 HD1 TYR 447 HD1 TYR 447 -1.714 -1.451 3.353 114 HD2 TYR 447 HD2 TYR 447 2.070 0.403 3.938 115 HE1 TYR 447 HE1 TYR 447 -1.210 -3.058 5.146 116 HE2 TYR 447 HE2 TYR 447 2.580 -1.193 5.737 117 HH TYR 447 HH TYR 447 0.709 -4.009 6.292 118 H TYR 448 HN TYR 448 -1.915 0.244 -0.839 119 HA TYR 448 HA TYR 448 -0.315 2.193 -2.272 120 HB2 TYR 448 HB2 TYR 448 -1.686 0.255 -3.324 121 HB3 TYR 448 HB1 TYR 448 -3.081 1.298 -3.060 122 HD1 TYR 448 HD1 TYR 448 -3.231 3.488 -4.251 123 HD2 TYR 448 HD2 TYR 448 -0.133 0.682 -5.079 124 HE1 TYR 448 HE1 TYR 448 -2.739 4.657 -6.357 125 HE2 TYR 448 HE2 TYR 448 0.367 1.850 -7.185 126 HH TYR 448 HH TYR 448 -0.850 3.340 -8.795 127 H ASN 449 HN ASN 449 -0.595 4.291 -2.169 128 HA ASN 449 HA ASN 449 -2.605 5.371 -0.366 129 HB2 ASN 449 HB2 ASN 449 -0.325 6.116 -0.043 130 HB3 ASN 449 HB1 ASN 449 -0.182 6.558 -1.738 131 HD21 ASN 449 HD21 ASN 449 -1.147 7.541 1.376 132 HD22 ASN 449 HD22 ASN 449 -1.656 9.137 0.957 133 H ASN 450 HN ASN 450 -4.521 5.906 -1.226 134 HA ASN 450 HA ASN 450 -4.687 6.660 -4.025 135 HB2 ASN 450 HB2 ASN 450 -7.004 6.334 -3.897 136 HB3 ASN 450 HB1 ASN 450 -6.355 5.108 -2.820 137 HD21 ASN 450 HD21 ASN 450 -5.838 6.981 -0.631 138 HD22 ASN 450 HD22 ASN 450 -7.376 7.429 0.009 139 H ARG 451 HN ARG 451 -3.841 8.306 -1.388 140 HA ARG 451 HA ARG 451 -5.561 10.584 -1.526 141 HB2 ARG 451 HB2 ARG 451 -2.875 10.226 -0.199 142 HB3 ARG 451 HB1 ARG 451 -3.876 11.664 -0.040 143 HG2 ARG 451 HG2 ARG 451 -5.662 10.252 0.937 144 HG3 ARG 451 HG1 ARG 451 -4.554 8.879 0.878 145 HD2 ARG 451 HD2 ARG 451 -2.989 10.075 2.324 146 HD3 ARG 451 HD1 ARG 451 -4.088 11.452 2.378 147 HE ARG 451 HE ARG 451 -5.369 9.070 3.263 148 HH11 ARG 451 HH11 ARG 451 -3.161 11.611 4.246 149 HH12 ARG 451 HH12 ARG 451 -3.472 11.400 5.948 150 HH21 ARG 451 HH21 ARG 451 -5.788 8.793 5.508 151 HH22 ARG 451 HH22 ARG 451 -4.969 9.808 6.656 152 H THR 452 HN THR 452 -2.178 10.024 -2.470 153 HA THR 452 HA THR 452 -2.442 12.245 -4.391 154 HB THR 452 HB THR 452 0.161 12.219 -4.204 155 HG1 THR 452 HG1 THR 452 0.963 11.042 -2.627 156 HG21 THR 452 HG21 THR 452 -1.246 14.088 -3.487 157 HG22 THR 452 HG22 THR 452 0.073 13.822 -2.347 158 HG23 THR 452 HG23 THR 452 -1.559 13.276 -1.953 159 H ALA 453 HN ALA 453 -2.436 9.020 -4.196 160 HA ALA 453 HA ALA 453 -2.137 7.297 -5.625 161 HB1 ALA 453 HB1 ALA 453 -1.463 9.375 -7.701 162 HB2 ALA 453 HB2 ALA 453 -3.082 8.778 -7.335 163 HB3 ALA 453 HB3 ALA 453 -1.868 7.684 -7.997 164 H GLU 454 HN GLU 454 -0.373 6.837 -4.201 165 HA GLU 454 HA GLU 454 2.104 6.529 -5.673 166 HB2 GLU 454 HB2 GLU 454 3.468 7.352 -3.746 167 HB3 GLU 454 HB1 GLU 454 2.564 8.616 -4.561 168 HG2 GLU 454 HG2 GLU 454 0.888 8.561 -2.779 169 HG3 GLU 454 HG1 GLU 454 1.803 7.295 -1.963 170 H SER 455 HN SER 455 3.395 4.786 -4.835 171 HA SER 455 HA SER 455 1.776 2.917 -3.303 172 HB2 SER 455 HB2 SER 455 3.673 1.314 -3.896 173 HB3 SER 455 HB1 SER 455 2.727 1.941 -5.247 174 HG SER 455 HG SER 455 4.556 2.607 -6.017 175 H THR 456 HN THR 456 1.920 2.970 -1.189 176 HA THR 456 HA THR 456 4.257 4.106 0.105 177 HB THR 456 HB THR 456 1.637 3.222 1.338 178 HG1 THR 456 HG1 THR 456 2.493 5.651 0.142 179 HG21 THR 456 HG21 THR 456 3.461 3.443 2.952 180 HG22 THR 456 HG22 THR 456 2.286 4.740 3.162 181 HG23 THR 456 HG23 THR 456 3.817 5.059 2.344 182 H TRP 457 HN TRP 457 5.843 2.631 0.190 183 HA TRP 457 HA TRP 457 5.310 -0.034 1.253 184 HB2 TRP 457 HB2 TRP 457 7.889 1.216 0.261 185 HB3 TRP 457 HB1 TRP 457 7.684 -0.473 0.723 186 HD1 TRP 457 HD1 TRP 457 6.725 2.011 -2.035 187 HE1 TRP 457 HE1 TRP 457 5.933 0.694 -4.098 188 HE3 TRP 457 HE3 TRP 457 6.731 -2.696 -0.035 189 HZ2 TRP 457 HZ2 TRP 457 5.368 -1.990 -4.776 190 HZ3 TRP 457 HZ3 TRP 457 6.061 -4.586 -1.461 191 HH2 TRP 457 HH2 TRP 457 5.398 -4.240 -3.784 192 H GLU 458 HN GLU 458 5.592 2.889 2.446 193 HA GLU 458 HA GLU 458 7.318 2.369 4.716 194 HB2 GLU 458 HB2 GLU 458 5.515 4.719 4.088 195 HB3 GLU 458 HB1 GLU 458 6.726 4.659 5.363 196 HG2 GLU 458 HG2 GLU 458 8.501 4.650 3.817 197 HG3 GLU 458 HG1 GLU 458 7.421 4.309 2.467 198 H LYS 459 HN LYS 459 6.604 1.775 6.706 199 HA LYS 459 HA LYS 459 3.934 0.819 7.009 200 HB2 LYS 459 HB2 LYS 459 5.544 -0.430 8.152 201 HB3 LYS 459 HB1 LYS 459 6.342 0.996 8.790 202 HG2 LYS 459 HG2 LYS 459 5.175 -0.301 10.516 203 HG3 LYS 459 HG1 LYS 459 4.566 1.345 10.379 204 HD2 LYS 459 HD2 LYS 459 2.756 -0.273 10.678 205 HD3 LYS 459 HD1 LYS 459 2.640 0.548 9.123 206 HE2 LYS 459 HE2 LYS 459 3.519 -1.374 7.981 207 HE3 LYS 459 HE1 LYS 459 3.861 -2.181 9.514 208 HZ1 LYS 459 HZ1 LYS 459 1.714 -2.759 8.205 209 HZ2 LYS 459 HZ2 LYS 459 1.106 -1.338 8.907 210 HZ3 LYS 459 HZ3 LYS 459 1.651 -2.608 9.892 211 HA PRO 460 HA PRO 460 2.437 4.684 8.774 212 HB2 PRO 460 HB2 PRO 460 -0.110 4.406 7.955 213 HB3 PRO 460 HB1 PRO 460 1.173 4.907 6.849 214 HG2 PRO 460 HG2 PRO 460 -0.246 2.326 7.043 215 HG3 PRO 460 HG1 PRO 460 0.572 3.060 5.654 216 HD2 PRO 460 HD2 PRO 460 1.569 1.038 7.420 217 HD3 PRO 460 HD1 PRO 460 2.403 1.802 6.056 Start of MODEL 8 1 H SER 433 HT1 SER 433 -10.482 3.059 7.510 2 HA SER 433 HA SER 433 -8.280 3.503 6.678 3 HB2 SER 433 HB2 SER 433 -9.583 1.152 5.283 4 HB3 SER 433 HB1 SER 433 -7.872 1.320 5.675 5 HG SER 433 HG SER 433 -8.418 1.301 7.879 6 H GLU 434 HN GLU 434 -7.467 4.937 5.325 7 HA GLU 434 HA GLU 434 -8.710 5.409 2.746 8 HB2 GLU 434 HB2 GLU 434 -7.996 7.249 4.306 9 HB3 GLU 434 HB1 GLU 434 -6.328 6.789 3.995 10 HG2 GLU 434 HG2 GLU 434 -6.892 8.688 2.651 11 HG3 GLU 434 HG1 GLU 434 -6.669 7.286 1.606 12 H TRP 435 HN TRP 435 -5.860 3.961 4.089 13 HA TRP 435 HA TRP 435 -4.590 3.791 1.452 14 HB2 TRP 435 HB2 TRP 435 -3.444 3.162 4.188 15 HB3 TRP 435 HB1 TRP 435 -2.543 3.241 2.672 16 HD1 TRP 435 HD1 TRP 435 -4.162 5.482 5.316 17 HE1 TRP 435 HE1 TRP 435 -3.431 7.922 4.921 18 HE3 TRP 435 HE3 TRP 435 -1.695 4.880 0.881 19 HZ2 TRP 435 HZ2 TRP 435 -2.015 9.386 2.977 20 HZ3 TRP 435 HZ3 TRP 435 -0.689 6.854 -0.183 21 HH2 TRP 435 HH2 TRP 435 -0.856 9.063 0.833 22 H THR 436 HN THR 436 -4.527 1.932 0.346 23 HA THR 436 HA THR 436 -5.881 -0.366 1.516 24 HB THR 436 HB THR 436 -4.975 0.215 -1.309 25 HG1 THR 436 HG1 THR 436 -6.929 1.233 -0.195 26 HG21 THR 436 HG21 THR 436 -6.205 -1.814 -1.965 27 HG22 THR 436 HG22 THR 436 -6.505 -2.181 -0.265 28 HG23 THR 436 HG23 THR 436 -4.855 -2.199 -0.894 29 H GLU 437 HN GLU 437 -4.829 -2.047 2.320 30 HA GLU 437 HA GLU 437 -1.991 -2.368 1.790 31 HB2 GLU 437 HB2 GLU 437 -2.181 -4.214 3.479 32 HB3 GLU 437 HB1 GLU 437 -2.661 -2.638 4.090 33 HG2 GLU 437 HG2 GLU 437 -5.009 -3.237 3.793 34 HG3 GLU 437 HG1 GLU 437 -4.530 -4.816 3.177 35 H ARG 438 HN ARG 438 -1.362 -3.524 0.067 36 HA ARG 438 HA ARG 438 -3.337 -5.379 -1.056 37 HB2 ARG 438 HB2 ARG 438 -1.062 -3.858 -2.322 38 HB3 ARG 438 HB1 ARG 438 -1.860 -5.204 -3.137 39 HG2 ARG 438 HG2 ARG 438 -4.037 -3.941 -2.757 40 HG3 ARG 438 HG1 ARG 438 -3.027 -2.558 -2.328 41 HD2 ARG 438 HD2 ARG 438 -3.680 -2.459 -4.673 42 HD3 ARG 438 HD1 ARG 438 -1.937 -2.674 -4.513 43 HE ARG 438 HE ARG 438 -3.148 -5.197 -4.764 44 HH11 ARG 438 HH11 ARG 438 -2.571 -2.335 -6.696 45 HH12 ARG 438 HH12 ARG 438 -2.453 -3.214 -8.190 46 HH21 ARG 438 HH21 ARG 438 -3.039 -6.348 -6.698 47 HH22 ARG 438 HH22 ARG 438 -2.759 -5.505 -8.199 48 H LYS 439 HN LYS 439 -3.065 -7.321 -0.326 49 HA LYS 439 HA LYS 439 -0.382 -8.293 0.271 50 HB2 LYS 439 HB2 LYS 439 -3.010 -9.725 0.699 51 HB3 LYS 439 HB1 LYS 439 -1.456 -10.105 1.428 52 HG2 LYS 439 HG2 LYS 439 -1.519 -8.037 2.697 53 HG3 LYS 439 HG1 LYS 439 -3.048 -7.598 1.932 54 HD2 LYS 439 HD2 LYS 439 -4.041 -9.675 2.893 55 HD3 LYS 439 HD1 LYS 439 -2.528 -9.937 3.764 56 HE2 LYS 439 HE2 LYS 439 -4.349 -7.548 4.033 57 HE3 LYS 439 HE1 LYS 439 -4.185 -8.865 5.192 58 HZ1 LYS 439 HZ1 LYS 439 -2.005 -8.211 5.718 59 HZ2 LYS 439 HZ2 LYS 439 -2.909 -6.767 5.691 60 HZ3 LYS 439 HZ3 LYS 439 -1.904 -7.162 4.392 61 H THR 440 HN THR 440 0.389 -8.519 -1.835 62 HA THR 440 HA THR 440 -0.913 -10.496 -3.525 63 HB THR 440 HB THR 440 0.006 -8.650 -4.731 64 HG1 THR 440 HG1 THR 440 0.410 -10.237 -6.093 65 HG21 THR 440 HG21 THR 440 2.670 -9.318 -3.480 66 HG22 THR 440 HG22 THR 440 1.671 -7.913 -3.103 67 HG23 THR 440 HG23 THR 440 2.382 -8.086 -4.707 68 H ALA 441 HN ALA 441 -0.107 -12.468 -4.071 69 HA ALA 441 HA ALA 441 1.252 -13.922 -2.075 70 HB1 ALA 441 HB1 ALA 441 0.724 -14.724 -4.933 71 HB2 ALA 441 HB2 ALA 441 -0.402 -14.915 -3.587 72 HB3 ALA 441 HB3 ALA 441 1.120 -15.807 -3.599 73 H ASP 442 HN ASP 442 2.496 -11.868 -4.379 74 HA ASP 442 HA ASP 442 4.994 -13.047 -4.951 75 HB2 ASP 442 HB2 ASP 442 4.203 -11.084 -6.158 76 HB3 ASP 442 HB1 ASP 442 4.184 -10.140 -4.674 77 H GLY 443 HN GLY 443 3.625 -11.991 -2.067 78 HA2 GLY 443 HA2 GLY 443 4.537 -12.383 0.056 79 HA3 GLY 443 HA1 GLY 443 6.136 -12.443 -0.667 80 H LYS 444 HN LYS 444 3.801 -9.864 -1.198 81 HA LYS 444 HA LYS 444 5.216 -8.155 0.682 82 HB2 LYS 444 HB2 LYS 444 5.583 -6.368 -0.992 83 HB3 LYS 444 HB1 LYS 444 6.544 -7.805 -1.301 84 HG2 LYS 444 HG2 LYS 444 5.264 -8.399 -3.163 85 HG3 LYS 444 HG1 LYS 444 3.933 -7.335 -2.697 86 HD2 LYS 444 HD2 LYS 444 5.340 -5.380 -3.122 87 HD3 LYS 444 HD1 LYS 444 6.679 -6.436 -3.574 88 HE2 LYS 444 HE2 LYS 444 4.042 -6.618 -4.978 89 HE3 LYS 444 HE1 LYS 444 5.217 -5.382 -5.426 90 HZ1 LYS 444 HZ1 LYS 444 5.919 -8.259 -5.308 91 HZ2 LYS 444 HZ2 LYS 444 6.764 -7.000 -6.071 92 HZ3 LYS 444 HZ3 LYS 444 5.288 -7.537 -6.708 93 H THR 445 HN THR 445 3.857 -6.937 1.746 94 HA THR 445 HA THR 445 1.244 -6.313 0.543 95 HB THR 445 HB THR 445 2.049 -6.278 3.466 96 HG1 THR 445 HG1 THR 445 1.331 -8.293 1.861 97 HG21 THR 445 HG21 THR 445 0.292 -4.667 3.033 98 HG22 THR 445 HG22 THR 445 -0.389 -6.063 3.872 99 HG23 THR 445 HG23 THR 445 -0.633 -5.869 2.136 100 H TYR 446 HN TYR 446 0.816 -4.191 0.059 101 HA TYR 446 HA TYR 446 2.568 -2.174 1.241 102 HB2 TYR 446 HB2 TYR 446 2.870 -1.127 -1.034 103 HB3 TYR 446 HB1 TYR 446 3.746 -2.627 -0.771 104 HD1 TYR 446 HD1 TYR 446 0.583 -1.335 -2.291 105 HD2 TYR 446 HD2 TYR 446 3.604 -4.329 -2.343 106 HE1 TYR 446 HE1 TYR 446 -0.332 -2.210 -4.389 107 HE2 TYR 446 HE2 TYR 446 2.678 -5.226 -4.438 108 HH TYR 446 HH TYR 446 0.507 -5.216 -5.667 109 H TYR 447 HN TYR 447 1.689 -0.130 1.371 110 HA TYR 447 HA TYR 447 -1.208 -0.160 1.144 111 HB2 TYR 447 HB2 TYR 447 0.539 1.968 2.388 112 HB3 TYR 447 HB1 TYR 447 -1.194 1.732 2.624 113 HD1 TYR 447 HD1 TYR 447 -1.766 -0.790 3.412 114 HD2 TYR 447 HD2 TYR 447 1.903 1.240 4.116 115 HE1 TYR 447 HE1 TYR 447 -1.294 -2.304 5.284 116 HE2 TYR 447 HE2 TYR 447 2.376 -0.267 6.005 117 HH TYR 447 HH TYR 447 0.434 -3.105 6.600 118 H TYR 448 HN TYR 448 -1.532 0.060 -1.014 119 HA TYR 448 HA TYR 448 -0.378 2.358 -2.390 120 HB2 TYR 448 HB2 TYR 448 -0.604 -0.091 -3.328 121 HB3 TYR 448 HB1 TYR 448 -2.254 0.410 -3.682 122 HD1 TYR 448 HD1 TYR 448 -2.525 2.588 -5.086 123 HD2 TYR 448 HD2 TYR 448 1.098 0.382 -4.822 124 HE1 TYR 448 HE1 TYR 448 -1.733 3.645 -7.162 125 HE2 TYR 448 HE2 TYR 448 1.900 1.433 -6.891 126 HH TYR 448 HH TYR 448 0.434 4.148 -8.272 127 H ASN 449 HN ASN 449 -1.490 4.159 -2.734 128 HA ASN 449 HA ASN 449 -4.412 4.065 -2.367 129 HB2 ASN 449 HB2 ASN 449 -3.088 5.102 -0.437 130 HB3 ASN 449 HB1 ASN 449 -2.689 6.401 -1.554 131 HD21 ASN 449 HD21 ASN 449 -4.175 6.501 0.916 132 HD22 ASN 449 HD22 ASN 449 -5.740 7.119 0.527 133 H ASN 450 HN ASN 450 -5.554 4.997 -3.891 134 HA ASN 450 HA ASN 450 -4.393 5.939 -6.287 135 HB2 ASN 450 HB2 ASN 450 -6.502 4.889 -6.454 136 HB3 ASN 450 HB1 ASN 450 -7.199 5.894 -5.190 137 HD21 ASN 450 HD21 ASN 450 -6.202 5.765 -8.527 138 HD22 ASN 450 HD22 ASN 450 -7.091 7.161 -9.042 139 H ARG 451 HN ARG 451 -5.227 7.496 -3.326 140 HA ARG 451 HA ARG 451 -5.616 10.112 -4.368 141 HB2 ARG 451 HB2 ARG 451 -4.886 9.241 -1.580 142 HB3 ARG 451 HB1 ARG 451 -5.369 10.871 -2.033 143 HG2 ARG 451 HG2 ARG 451 -7.539 9.946 -2.817 144 HG3 ARG 451 HG1 ARG 451 -7.046 8.378 -2.175 145 HD2 ARG 451 HD2 ARG 451 -8.440 9.468 -0.555 146 HD3 ARG 451 HD1 ARG 451 -6.785 9.432 0.053 147 HE ARG 451 HE ARG 451 -7.656 11.848 -1.341 148 HH11 ARG 451 HH11 ARG 451 -7.043 10.251 1.722 149 HH12 ARG 451 HH12 ARG 451 -6.882 11.738 2.604 150 HH21 ARG 451 HH21 ARG 451 -7.448 13.799 -0.163 151 HH22 ARG 451 HH22 ARG 451 -7.123 13.736 1.545 152 H THR 452 HN THR 452 -2.823 8.251 -3.668 153 HA THR 452 HA THR 452 -1.190 10.617 -4.310 154 HB THR 452 HB THR 452 0.707 9.243 -3.256 155 HG1 THR 452 HG1 THR 452 -0.024 7.708 -1.715 156 HG21 THR 452 HG21 THR 452 -0.271 11.263 -2.237 157 HG22 THR 452 HG22 THR 452 0.182 10.071 -1.023 158 HG23 THR 452 HG23 THR 452 -1.512 10.270 -1.477 159 H ALA 453 HN ALA 453 -2.321 7.715 -5.519 160 HA ALA 453 HA ALA 453 -1.728 6.253 -7.142 161 HB1 ALA 453 HB1 ALA 453 -0.123 8.605 -8.144 162 HB2 ALA 453 HB2 ALA 453 -1.819 8.281 -8.505 163 HB3 ALA 453 HB3 ALA 453 -0.568 7.181 -9.086 164 H GLU 454 HN GLU 454 -0.169 6.251 -4.708 165 HA GLU 454 HA GLU 454 2.424 5.297 -5.700 166 HB2 GLU 454 HB2 GLU 454 2.700 7.661 -5.049 167 HB3 GLU 454 HB1 GLU 454 2.083 7.287 -3.447 168 HG2 GLU 454 HG2 GLU 454 4.508 7.471 -3.454 169 HG3 GLU 454 HG1 GLU 454 3.983 5.843 -3.025 170 H SER 455 HN SER 455 3.489 3.832 -4.363 171 HA SER 455 HA SER 455 1.743 2.468 -2.455 172 HB2 SER 455 HB2 SER 455 3.583 0.690 -2.609 173 HB3 SER 455 HB1 SER 455 2.614 0.962 -4.058 174 HG SER 455 HG SER 455 4.921 2.498 -3.783 175 H THR 456 HN THR 456 1.938 2.917 -0.385 176 HA THR 456 HA THR 456 4.470 3.903 0.696 177 HB THR 456 HB THR 456 1.789 3.578 2.068 178 HG1 THR 456 HG1 THR 456 2.924 5.681 0.553 179 HG21 THR 456 HG21 THR 456 2.699 5.134 3.720 180 HG22 THR 456 HG22 THR 456 4.233 5.176 2.851 181 HG23 THR 456 HG23 THR 456 3.689 3.680 3.614 182 H TRP 457 HN TRP 457 5.813 2.614 1.822 183 HA TRP 457 HA TRP 457 4.884 -0.102 2.457 184 HB2 TRP 457 HB2 TRP 457 7.716 0.961 2.280 185 HB3 TRP 457 HB1 TRP 457 7.254 -0.721 2.526 186 HD1 TRP 457 HD1 TRP 457 7.434 1.969 -0.182 187 HE1 TRP 457 HE1 TRP 457 7.147 0.852 -2.486 188 HE3 TRP 457 HE3 TRP 457 6.220 -2.747 1.362 189 HZ2 TRP 457 HZ2 TRP 457 6.477 -1.697 -3.503 190 HZ3 TRP 457 HZ3 TRP 457 5.773 -4.469 -0.339 191 HH2 TRP 457 HH2 TRP 457 5.903 -3.951 -2.722 192 H GLU 458 HN GLU 458 5.937 2.845 3.808 193 HA GLU 458 HA GLU 458 6.791 2.029 6.346 194 HB2 GLU 458 HB2 GLU 458 5.369 4.605 5.646 195 HB3 GLU 458 HB1 GLU 458 6.428 4.331 7.019 196 HG2 GLU 458 HG2 GLU 458 7.843 5.429 5.616 197 HG3 GLU 458 HG1 GLU 458 8.180 3.761 5.160 198 H LYS 459 HN LYS 459 5.747 1.363 8.095 199 HA LYS 459 HA LYS 459 2.959 0.736 7.961 200 HB2 LYS 459 HB2 LYS 459 4.956 0.532 10.219 201 HB3 LYS 459 HB1 LYS 459 3.320 -0.112 10.276 202 HG2 LYS 459 HG2 LYS 459 5.345 -0.923 8.205 203 HG3 LYS 459 HG1 LYS 459 5.110 -1.774 9.735 204 HD2 LYS 459 HD2 LYS 459 2.915 -2.409 9.163 205 HD3 LYS 459 HD1 LYS 459 2.844 -1.262 7.825 206 HE2 LYS 459 HE2 LYS 459 4.763 -3.578 7.906 207 HE3 LYS 459 HE1 LYS 459 3.151 -3.692 7.200 208 HZ1 LYS 459 HZ1 LYS 459 3.701 -2.100 5.571 209 HZ2 LYS 459 HZ2 LYS 459 5.006 -3.186 5.610 210 HZ3 LYS 459 HZ3 LYS 459 5.142 -1.667 6.347 211 HA PRO 460 HA PRO 460 1.792 4.615 9.920 212 HB2 PRO 460 HB2 PRO 460 -0.687 4.746 8.899 213 HB3 PRO 460 HB1 PRO 460 0.740 5.098 7.920 214 HG2 PRO 460 HG2 PRO 460 -1.022 2.719 7.905 215 HG3 PRO 460 HG1 PRO 460 -0.066 3.421 6.590 216 HD2 PRO 460 HD2 PRO 460 0.607 1.189 8.222 217 HD3 PRO 460 HD1 PRO 460 1.624 1.978 7.004 Start of MODEL 9 1 H SER 433 HT1 SER 433 -11.134 4.495 6.204 2 HA SER 433 HA SER 433 -8.990 5.276 5.418 3 HB2 SER 433 HB2 SER 433 -9.217 3.230 6.860 4 HB3 SER 433 HB1 SER 433 -9.171 2.251 5.395 5 HG SER 433 HG SER 433 -7.094 2.307 6.009 6 H GLU 434 HN GLU 434 -8.152 6.002 3.596 7 HA GLU 434 HA GLU 434 -8.777 4.781 1.054 8 HB2 GLU 434 HB2 GLU 434 -6.871 7.067 1.544 9 HB3 GLU 434 HB1 GLU 434 -7.732 6.682 0.062 10 HG2 GLU 434 HG2 GLU 434 -8.978 8.430 0.813 11 HG3 GLU 434 HG1 GLU 434 -9.849 7.095 1.559 12 H TRP 435 HN TRP 435 -6.668 3.900 3.312 13 HA TRP 435 HA TRP 435 -4.384 3.465 1.525 14 HB2 TRP 435 HB2 TRP 435 -4.404 2.872 4.479 15 HB3 TRP 435 HB1 TRP 435 -3.031 3.248 3.441 16 HD1 TRP 435 HD1 TRP 435 -5.708 4.874 5.559 17 HE1 TRP 435 HE1 TRP 435 -5.312 7.413 5.666 18 HE3 TRP 435 HE3 TRP 435 -2.027 5.247 2.046 19 HZ2 TRP 435 HZ2 TRP 435 -3.660 9.322 4.407 20 HZ3 TRP 435 HZ3 TRP 435 -1.096 7.464 1.549 21 HH2 TRP 435 HH2 TRP 435 -1.905 9.466 2.693 22 H THR 436 HN THR 436 -4.743 1.630 0.370 23 HA THR 436 HA THR 436 -5.814 -0.714 1.763 24 HB THR 436 HB THR 436 -5.256 -0.230 -1.170 25 HG1 THR 436 HG1 THR 436 -7.476 -0.040 0.491 26 HG21 THR 436 HG21 THR 436 -6.313 -2.427 -1.571 27 HG22 THR 436 HG22 THR 436 -6.375 -2.707 0.170 28 HG23 THR 436 HG23 THR 436 -4.817 -2.583 -0.650 29 H GLU 437 HN GLU 437 -4.484 -2.159 2.617 30 HA GLU 437 HA GLU 437 -1.736 -2.314 1.668 31 HB2 GLU 437 HB2 GLU 437 -1.569 -4.085 3.517 32 HB3 GLU 437 HB1 GLU 437 -1.808 -2.417 4.014 33 HG2 GLU 437 HG2 GLU 437 -4.158 -2.837 4.394 34 HG3 GLU 437 HG1 GLU 437 -3.980 -4.489 3.807 35 H ARG 438 HN ARG 438 -1.366 -3.504 -0.063 36 HA ARG 438 HA ARG 438 -3.299 -5.593 -0.732 37 HB2 ARG 438 HB2 ARG 438 -1.306 -4.020 -2.369 38 HB3 ARG 438 HB1 ARG 438 -2.114 -5.455 -3.005 39 HG2 ARG 438 HG2 ARG 438 -4.241 -4.446 -2.862 40 HG3 ARG 438 HG1 ARG 438 -3.633 -3.133 -1.857 41 HD2 ARG 438 HD2 ARG 438 -4.031 -2.353 -4.113 42 HD3 ARG 438 HD1 ARG 438 -2.310 -2.310 -3.743 43 HE ARG 438 HE ARG 438 -2.832 -4.739 -5.002 44 HH11 ARG 438 HH11 ARG 438 -3.011 -1.338 -5.741 45 HH12 ARG 438 HH12 ARG 438 -2.643 -1.536 -7.429 46 HH21 ARG 438 HH21 ARG 438 -2.352 -5.027 -7.244 47 HH22 ARG 438 HH22 ARG 438 -2.252 -3.628 -8.274 48 H LYS 439 HN LYS 439 -2.764 -7.435 0.184 49 HA LYS 439 HA LYS 439 0.035 -8.137 0.511 50 HB2 LYS 439 HB2 LYS 439 -1.695 -8.399 2.346 51 HB3 LYS 439 HB1 LYS 439 -2.376 -9.715 1.401 52 HG2 LYS 439 HG2 LYS 439 -0.189 -10.866 1.511 53 HG3 LYS 439 HG1 LYS 439 0.390 -9.582 2.576 54 HD2 LYS 439 HD2 LYS 439 -1.591 -10.131 4.066 55 HD3 LYS 439 HD1 LYS 439 -1.803 -11.580 3.081 56 HE2 LYS 439 HE2 LYS 439 -0.524 -12.126 5.053 57 HE3 LYS 439 HE1 LYS 439 0.510 -12.251 3.629 58 HZ1 LYS 439 HZ1 LYS 439 1.517 -10.168 4.152 59 HZ2 LYS 439 HZ2 LYS 439 1.550 -11.109 5.563 60 HZ3 LYS 439 HZ3 LYS 439 0.407 -9.866 5.398 61 H THR 440 HN THR 440 0.741 -8.675 -1.470 62 HA THR 440 HA THR 440 -0.685 -10.661 -3.033 63 HB THR 440 HB THR 440 1.185 -10.389 -4.662 64 HG1 THR 440 HG1 THR 440 2.165 -8.769 -2.574 65 HG21 THR 440 HG21 THR 440 -0.833 -9.049 -4.872 66 HG22 THR 440 HG22 THR 440 0.581 -8.103 -5.337 67 HG23 THR 440 HG23 THR 440 -0.173 -7.846 -3.763 68 H ALA 441 HN ALA 441 0.079 -12.679 -3.602 69 HA ALA 441 HA ALA 441 1.444 -14.139 -1.601 70 HB1 ALA 441 HB1 ALA 441 1.258 -16.036 -3.116 71 HB2 ALA 441 HB2 ALA 441 0.824 -14.950 -4.438 72 HB3 ALA 441 HB3 ALA 441 -0.255 -15.131 -3.054 73 H ASP 442 HN ASP 442 2.668 -12.101 -3.877 74 HA ASP 442 HA ASP 442 5.121 -13.337 -4.566 75 HB2 ASP 442 HB2 ASP 442 4.198 -11.393 -5.765 76 HB3 ASP 442 HB1 ASP 442 4.379 -10.408 -4.321 77 H GLY 443 HN GLY 443 3.866 -12.335 -1.650 78 HA2 GLY 443 HA2 GLY 443 4.882 -12.661 0.428 79 HA3 GLY 443 HA1 GLY 443 6.454 -12.638 -0.359 80 H LYS 444 HN LYS 444 4.095 -10.161 -1.003 81 HA LYS 444 HA LYS 444 5.319 -8.361 0.907 82 HB2 LYS 444 HB2 LYS 444 6.037 -6.720 -0.695 83 HB3 LYS 444 HB1 LYS 444 6.801 -8.254 -1.075 84 HG2 LYS 444 HG2 LYS 444 5.222 -8.607 -2.894 85 HG3 LYS 444 HG1 LYS 444 4.412 -7.089 -2.494 86 HD2 LYS 444 HD2 LYS 444 6.586 -5.918 -2.888 87 HD3 LYS 444 HD1 LYS 444 7.244 -7.447 -3.470 88 HE2 LYS 444 HE2 LYS 444 4.904 -5.950 -4.645 89 HE3 LYS 444 HE1 LYS 444 6.529 -6.037 -5.322 90 HZ1 LYS 444 HZ1 LYS 444 6.235 -8.452 -5.537 91 HZ2 LYS 444 HZ2 LYS 444 5.091 -7.580 -6.441 92 HZ3 LYS 444 HZ3 LYS 444 4.644 -8.301 -4.977 93 H THR 445 HN THR 445 3.939 -6.948 1.675 94 HA THR 445 HA THR 445 1.446 -6.450 0.199 95 HB THR 445 HB THR 445 1.114 -7.357 2.466 96 HG1 THR 445 HG1 THR 445 -0.236 -5.572 3.227 97 HG21 THR 445 HG21 THR 445 3.122 -6.514 3.555 98 HG22 THR 445 HG22 THR 445 1.684 -6.009 4.442 99 HG23 THR 445 HG23 THR 445 2.533 -4.859 3.406 100 H TYR 446 HN TYR 446 0.761 -4.293 -0.127 101 HA TYR 446 HA TYR 446 2.671 -2.211 0.565 102 HB2 TYR 446 HB2 TYR 446 2.570 -1.380 -1.861 103 HB3 TYR 446 HB1 TYR 446 3.631 -2.732 -1.500 104 HD1 TYR 446 HD1 TYR 446 0.493 -1.730 -3.149 105 HD2 TYR 446 HD2 TYR 446 3.226 -4.910 -2.430 106 HE1 TYR 446 HE1 TYR 446 -0.546 -3.025 -4.954 107 HE2 TYR 446 HE2 TYR 446 2.181 -6.221 -4.226 108 HH TYR 446 HH TYR 446 0.129 -6.356 -5.450 109 H TYR 447 HN TYR 447 1.795 -0.247 0.793 110 HA TYR 447 HA TYR 447 -1.106 -0.250 0.911 111 HB2 TYR 447 HB2 TYR 447 0.996 1.609 2.037 112 HB3 TYR 447 HB1 TYR 447 -0.727 1.940 2.143 113 HD1 TYR 447 HD1 TYR 447 1.274 -1.185 2.647 114 HD2 TYR 447 HD2 TYR 447 -1.409 1.651 4.318 115 HE1 TYR 447 HE1 TYR 447 1.115 -2.552 4.680 116 HE2 TYR 447 HE2 TYR 447 -1.586 0.278 6.365 117 HH TYR 447 HH TYR 447 -1.272 -2.345 6.825 118 H TYR 448 HN TYR 448 -1.907 0.143 -1.052 119 HA TYR 448 HA TYR 448 -0.706 2.180 -2.738 120 HB2 TYR 448 HB2 TYR 448 -1.682 -0.152 -3.460 121 HB3 TYR 448 HB1 TYR 448 -3.223 0.696 -3.423 122 HD1 TYR 448 HD1 TYR 448 -3.572 2.666 -4.958 123 HD2 TYR 448 HD2 TYR 448 -0.160 0.139 -5.239 124 HE1 TYR 448 HE1 TYR 448 -3.145 3.503 -7.231 125 HE2 TYR 448 HE2 TYR 448 0.278 0.972 -7.511 126 HH TYR 448 HH TYR 448 -1.208 3.707 -8.797 127 H ASN 449 HN ASN 449 -1.230 4.174 -2.401 128 HA ASN 449 HA ASN 449 -3.754 4.850 -1.095 129 HB2 ASN 449 HB2 ASN 449 -1.766 5.773 -0.087 130 HB3 ASN 449 HB1 ASN 449 -1.233 6.430 -1.631 131 HD21 ASN 449 HD21 ASN 449 -1.115 8.507 -0.765 132 HD22 ASN 449 HD22 ASN 449 -2.535 9.436 -0.415 133 H ASN 450 HN ASN 450 -5.403 5.649 -2.171 134 HA ASN 450 HA ASN 450 -5.223 6.173 -4.992 135 HB2 ASN 450 HB2 ASN 450 -7.178 5.059 -3.963 136 HB3 ASN 450 HB1 ASN 450 -7.548 6.536 -3.087 137 HD21 ASN 450 HD21 ASN 450 -6.463 6.305 -6.436 138 HD22 ASN 450 HD22 ASN 450 -7.917 6.929 -7.129 139 H ARG 451 HN ARG 451 -4.822 8.029 -2.185 140 HA ARG 451 HA ARG 451 -5.831 10.516 -3.158 141 HB2 ARG 451 HB2 ARG 451 -4.058 9.817 -0.833 142 HB3 ARG 451 HB1 ARG 451 -4.561 11.466 -1.193 143 HG2 ARG 451 HG2 ARG 451 -6.796 11.016 -0.717 144 HG3 ARG 451 HG1 ARG 451 -6.569 9.271 -0.852 145 HD2 ARG 451 HD2 ARG 451 -6.839 10.017 1.477 146 HD3 ARG 451 HD1 ARG 451 -5.285 9.244 1.190 147 HE ARG 451 HE ARG 451 -4.656 11.825 0.877 148 HH11 ARG 451 HH11 ARG 451 -6.586 10.241 3.338 149 HH12 ARG 451 HH12 ARG 451 -6.040 11.299 4.611 150 HH21 ARG 451 HH21 ARG 451 -3.963 13.217 2.540 151 HH22 ARG 451 HH22 ARG 451 -4.561 12.989 4.156 152 H THR 452 HN THR 452 -2.652 8.996 -3.118 153 HA THR 452 HA THR 452 -1.662 11.271 -4.713 154 HB THR 452 HB THR 452 0.154 9.438 -3.171 155 HG1 THR 452 HG1 THR 452 -0.250 10.462 -1.354 156 HG21 THR 452 HG21 THR 452 0.401 12.317 -4.057 157 HG22 THR 452 HG22 THR 452 1.173 10.930 -4.824 158 HG23 THR 452 HG23 THR 452 1.628 11.397 -3.186 159 H ALA 453 HN ALA 453 -2.552 8.071 -4.890 160 HA ALA 453 HA ALA 453 -2.136 6.301 -6.252 161 HB1 ALA 453 HB1 ALA 453 -0.765 8.354 -7.994 162 HB2 ALA 453 HB2 ALA 453 -2.466 7.894 -8.072 163 HB3 ALA 453 HB3 ALA 453 -1.216 6.721 -8.487 164 H GLU 454 HN GLU 454 -0.455 6.781 -4.092 165 HA GLU 454 HA GLU 454 2.277 6.274 -5.047 166 HB2 GLU 454 HB2 GLU 454 3.039 7.079 -2.907 167 HB3 GLU 454 HB1 GLU 454 1.877 8.237 -3.539 168 HG2 GLU 454 HG2 GLU 454 0.137 7.173 -2.116 169 HG3 GLU 454 HG1 GLU 454 1.398 6.175 -1.400 170 H SER 455 HN SER 455 3.479 4.541 -4.206 171 HA SER 455 HA SER 455 1.911 2.506 -2.802 172 HB2 SER 455 HB2 SER 455 2.996 1.734 -4.862 173 HB3 SER 455 HB1 SER 455 4.568 2.236 -4.241 174 HG SER 455 HG SER 455 4.455 0.648 -2.695 175 H THR 456 HN THR 456 2.001 2.730 -0.736 176 HA THR 456 HA THR 456 4.327 3.777 0.656 177 HB THR 456 HB THR 456 1.542 2.977 1.536 178 HG1 THR 456 HG1 THR 456 2.563 5.193 0.445 179 HG21 THR 456 HG21 THR 456 1.971 3.733 3.714 180 HG22 THR 456 HG22 THR 456 3.513 4.469 3.246 181 HG23 THR 456 HG23 THR 456 3.355 2.713 3.312 182 H TRP 457 HN TRP 457 5.845 2.457 1.511 183 HA TRP 457 HA TRP 457 5.180 -0.405 1.697 184 HB2 TRP 457 HB2 TRP 457 7.825 0.970 1.214 185 HB3 TRP 457 HB1 TRP 457 7.671 -0.758 1.537 186 HD1 TRP 457 HD1 TRP 457 7.181 1.823 -1.188 187 HE1 TRP 457 HE1 TRP 457 6.534 0.637 -3.378 188 HE3 TRP 457 HE3 TRP 457 6.446 -2.891 0.636 189 HZ2 TRP 457 HZ2 TRP 457 5.784 -1.954 -4.212 190 HZ3 TRP 457 HZ3 TRP 457 5.770 -4.668 -0.923 191 HH2 TRP 457 HH2 TRP 457 5.452 -4.209 -3.300 192 H GLU 458 HN GLU 458 5.495 2.209 3.605 193 HA GLU 458 HA GLU 458 6.443 0.622 5.891 194 HB2 GLU 458 HB2 GLU 458 6.716 2.784 7.051 195 HB3 GLU 458 HB1 GLU 458 7.669 2.711 5.576 196 HG2 GLU 458 HG2 GLU 458 6.015 4.055 4.414 197 HG3 GLU 458 HG1 GLU 458 5.007 4.089 5.860 198 H LYS 459 HN LYS 459 5.035 0.124 7.511 199 HA LYS 459 HA LYS 459 2.244 0.640 7.109 200 HB2 LYS 459 HB2 LYS 459 3.083 -1.455 8.145 201 HB3 LYS 459 HB1 LYS 459 3.652 -0.524 9.525 202 HG2 LYS 459 HG2 LYS 459 1.330 0.162 9.985 203 HG3 LYS 459 HG1 LYS 459 0.792 -0.857 8.647 204 HD2 LYS 459 HD2 LYS 459 2.290 -1.828 11.077 205 HD3 LYS 459 HD1 LYS 459 0.546 -1.950 10.849 206 HE2 LYS 459 HE2 LYS 459 2.580 -3.165 8.985 207 HE3 LYS 459 HE1 LYS 459 1.826 -4.036 10.320 208 HZ1 LYS 459 HZ1 LYS 459 0.362 -2.801 8.035 209 HZ2 LYS 459 HZ2 LYS 459 -0.325 -3.704 9.303 210 HZ3 LYS 459 HZ3 LYS 459 0.720 -4.454 8.205 211 HA PRO 460 HA PRO 460 2.465 4.658 9.076 212 HB2 PRO 460 HB2 PRO 460 -0.240 5.138 8.983 213 HB3 PRO 460 HB1 PRO 460 0.876 5.452 7.653 214 HG2 PRO 460 HG2 PRO 460 -0.999 3.176 8.058 215 HG3 PRO 460 HG1 PRO 460 -0.522 3.995 6.560 216 HD2 PRO 460 HD2 PRO 460 0.458 1.571 7.319 217 HD3 PRO 460 HD1 PRO 460 1.361 2.718 6.311 Start of MODEL 10 1 H SER 433 HT1 SER 433 -10.538 4.704 5.409 2 HA SER 433 HA SER 433 -9.453 1.973 5.029 3 HB2 SER 433 HB2 SER 433 -12.031 3.227 4.050 4 HB3 SER 433 HB1 SER 433 -11.542 1.540 3.882 5 HG SER 433 HG SER 433 -12.742 1.440 5.654 6 H GLU 434 HN GLU 434 -8.740 4.954 4.156 7 HA GLU 434 HA GLU 434 -8.929 4.774 1.293 8 HB2 GLU 434 HB2 GLU 434 -7.581 6.878 1.327 9 HB3 GLU 434 HB1 GLU 434 -9.080 6.969 2.234 10 HG2 GLU 434 HG2 GLU 434 -6.424 6.416 3.532 11 HG3 GLU 434 HG1 GLU 434 -7.055 8.044 3.291 12 H TRP 435 HN TRP 435 -6.678 3.821 3.700 13 HA TRP 435 HA TRP 435 -4.551 3.480 1.735 14 HB2 TRP 435 HB2 TRP 435 -4.490 2.825 4.695 15 HB3 TRP 435 HB1 TRP 435 -3.109 2.936 3.607 16 HD1 TRP 435 HD1 TRP 435 -5.173 4.996 5.935 17 HE1 TRP 435 HE1 TRP 435 -4.486 7.476 5.796 18 HE3 TRP 435 HE3 TRP 435 -2.200 4.789 1.781 19 HZ2 TRP 435 HZ2 TRP 435 -2.910 9.121 4.139 20 HZ3 TRP 435 HZ3 TRP 435 -1.144 6.863 0.983 21 HH2 TRP 435 HH2 TRP 435 -1.501 8.988 2.126 22 H THR 436 HN THR 436 -4.761 1.733 0.496 23 HA THR 436 HA THR 436 -6.149 -0.611 1.511 24 HB THR 436 HB THR 436 -5.116 0.084 -1.239 25 HG1 THR 436 HG1 THR 436 -7.426 0.527 0.102 26 HG21 THR 436 HG21 THR 436 -4.946 -2.345 -0.922 27 HG22 THR 436 HG22 THR 436 -6.257 -1.951 -2.036 28 HG23 THR 436 HG23 THR 436 -6.622 -2.398 -0.369 29 H GLU 437 HN GLU 437 -5.161 -2.330 2.283 30 HA GLU 437 HA GLU 437 -2.306 -2.688 1.861 31 HB2 GLU 437 HB2 GLU 437 -2.639 -4.659 3.403 32 HB3 GLU 437 HB1 GLU 437 -3.044 -3.101 4.108 33 HG2 GLU 437 HG2 GLU 437 -5.408 -3.521 3.726 34 HG3 GLU 437 HG1 GLU 437 -5.021 -5.067 2.975 35 H ARG 438 HN ARG 438 -1.628 -3.748 0.092 36 HA ARG 438 HA ARG 438 -3.581 -5.519 -1.220 37 HB2 ARG 438 HB2 ARG 438 -1.115 -4.164 -2.354 38 HB3 ARG 438 HB1 ARG 438 -2.195 -5.228 -3.254 39 HG2 ARG 438 HG2 ARG 438 -4.031 -3.663 -2.931 40 HG3 ARG 438 HG1 ARG 438 -2.976 -2.607 -1.993 41 HD2 ARG 438 HD2 ARG 438 -2.919 -1.623 -4.078 42 HD3 ARG 438 HD1 ARG 438 -1.482 -2.637 -4.110 43 HE ARG 438 HE ARG 438 -3.819 -3.925 -5.188 44 HH11 ARG 438 HH11 ARG 438 -1.008 -1.958 -5.885 45 HH12 ARG 438 HH12 ARG 438 -1.141 -2.131 -7.604 46 HH21 ARG 438 HH21 ARG 438 -4.024 -4.149 -7.475 47 HH22 ARG 438 HH22 ARG 438 -2.864 -3.354 -8.512 48 H LYS 439 HN LYS 439 -3.322 -7.563 -0.691 49 HA LYS 439 HA LYS 439 -0.687 -8.451 0.127 50 HB2 LYS 439 HB2 LYS 439 -1.820 -10.548 0.846 51 HB3 LYS 439 HB1 LYS 439 -2.397 -9.106 1.658 52 HG2 LYS 439 HG2 LYS 439 -3.844 -10.275 -0.696 53 HG3 LYS 439 HG1 LYS 439 -4.109 -10.854 0.948 54 HD2 LYS 439 HD2 LYS 439 -4.634 -8.485 1.594 55 HD3 LYS 439 HD1 LYS 439 -4.585 -8.077 -0.121 56 HE2 LYS 439 HE2 LYS 439 -6.426 -10.085 1.174 57 HE3 LYS 439 HE1 LYS 439 -6.875 -8.469 0.637 58 HZ1 LYS 439 HZ1 LYS 439 -6.357 -9.106 -1.631 59 HZ2 LYS 439 HZ2 LYS 439 -7.510 -10.158 -0.970 60 HZ3 LYS 439 HZ3 LYS 439 -5.898 -10.658 -1.119 61 H THR 440 HN THR 440 0.435 -8.587 -1.649 62 HA THR 440 HA THR 440 -0.422 -10.260 -3.862 63 HB THR 440 HB THR 440 2.146 -8.737 -3.352 64 HG1 THR 440 HG1 THR 440 -0.312 -8.021 -4.258 65 HG21 THR 440 HG21 THR 440 1.208 -10.074 -5.896 66 HG22 THR 440 HG22 THR 440 2.522 -10.641 -4.865 67 HG23 THR 440 HG23 THR 440 2.665 -9.094 -5.701 68 H ALA 441 HN ALA 441 0.235 -12.307 -4.243 69 HA ALA 441 HA ALA 441 1.129 -13.840 -2.024 70 HB1 ALA 441 HB1 ALA 441 -0.469 -14.688 -3.667 71 HB2 ALA 441 HB2 ALA 441 0.927 -15.754 -3.512 72 HB3 ALA 441 HB3 ALA 441 0.792 -14.674 -4.900 73 H ASP 442 HN ASP 442 2.929 -11.982 -4.009 74 HA ASP 442 HA ASP 442 5.219 -13.662 -4.396 75 HB2 ASP 442 HB2 ASP 442 4.805 -11.792 -5.890 76 HB3 ASP 442 HB1 ASP 442 4.841 -10.662 -4.545 77 H GLY 443 HN GLY 443 3.841 -12.366 -1.700 78 HA2 GLY 443 HA2 GLY 443 4.677 -12.463 0.486 79 HA3 GLY 443 HA1 GLY 443 6.309 -12.581 -0.165 80 H LYS 444 HN LYS 444 3.906 -10.176 -1.050 81 HA LYS 444 HA LYS 444 5.260 -8.167 0.542 82 HB2 LYS 444 HB2 LYS 444 5.346 -6.629 -1.483 83 HB3 LYS 444 HB1 LYS 444 6.563 -7.887 -1.384 84 HG2 LYS 444 HG2 LYS 444 5.669 -9.063 -3.154 85 HG3 LYS 444 HG1 LYS 444 4.067 -8.344 -2.956 86 HD2 LYS 444 HD2 LYS 444 4.792 -6.268 -3.852 87 HD3 LYS 444 HD1 LYS 444 6.487 -6.747 -3.768 88 HE2 LYS 444 HE2 LYS 444 4.560 -8.297 -5.452 89 HE3 LYS 444 HE1 LYS 444 5.242 -6.785 -6.049 90 HZ1 LYS 444 HZ1 LYS 444 6.816 -9.140 -5.138 91 HZ2 LYS 444 HZ2 LYS 444 7.453 -7.689 -5.744 92 HZ3 LYS 444 HZ3 LYS 444 6.544 -8.702 -6.756 93 H THR 445 HN THR 445 3.677 -7.350 1.669 94 HA THR 445 HA THR 445 1.165 -6.601 0.348 95 HB THR 445 HB THR 445 1.839 -6.280 3.285 96 HG1 THR 445 HG1 THR 445 1.377 -8.338 3.597 97 HG21 THR 445 HG21 THR 445 -0.810 -6.526 1.847 98 HG22 THR 445 HG22 THR 445 -0.104 -5.023 2.446 99 HG23 THR 445 HG23 THR 445 -0.580 -6.287 3.579 100 H TYR 446 HN TYR 446 0.550 -4.397 0.172 101 HA TYR 446 HA TYR 446 2.399 -2.400 1.174 102 HB2 TYR 446 HB2 TYR 446 2.535 -1.405 -1.217 103 HB3 TYR 446 HB1 TYR 446 3.608 -2.727 -0.784 104 HD1 TYR 446 HD1 TYR 446 0.664 -1.777 -2.777 105 HD2 TYR 446 HD2 TYR 446 3.400 -4.889 -1.828 106 HE1 TYR 446 HE1 TYR 446 -0.086 -3.028 -4.749 107 HE2 TYR 446 HE2 TYR 446 2.645 -6.160 -3.792 108 HH TYR 446 HH TYR 446 0.718 -6.314 -5.247 109 H TYR 447 HN TYR 447 1.556 -0.335 1.249 110 HA TYR 447 HA TYR 447 -1.350 -0.334 1.149 111 HB2 TYR 447 HB2 TYR 447 0.484 1.821 2.217 112 HB3 TYR 447 HB1 TYR 447 -1.249 1.674 2.490 113 HD1 TYR 447 HD1 TYR 447 -1.750 -0.964 3.343 114 HD2 TYR 447 HD2 TYR 447 1.688 1.416 4.126 115 HE1 TYR 447 HE1 TYR 447 -1.311 -2.278 5.377 116 HE2 TYR 447 HE2 TYR 447 2.135 0.116 6.162 117 HH TYR 447 HH TYR 447 0.503 -2.822 6.876 118 H TYR 448 HN TYR 448 -1.915 -0.078 -0.944 119 HA TYR 448 HA TYR 448 -0.798 2.126 -2.487 120 HB2 TYR 448 HB2 TYR 448 -1.342 -0.163 -3.482 121 HB3 TYR 448 HB1 TYR 448 -3.038 0.266 -3.311 122 HD1 TYR 448 HD1 TYR 448 -3.452 2.841 -4.313 123 HD2 TYR 448 HD2 TYR 448 -0.537 0.024 -5.613 124 HE1 TYR 448 HE1 TYR 448 -3.371 3.949 -6.506 125 HE2 TYR 448 HE2 TYR 448 -0.450 1.128 -7.809 126 HH TYR 448 HH TYR 448 -1.978 2.561 -9.211 127 H ASN 449 HN ASN 449 -1.640 4.067 -2.384 128 HA ASN 449 HA ASN 449 -4.528 4.349 -1.897 129 HB2 ASN 449 HB2 ASN 449 -3.498 4.996 0.141 130 HB3 ASN 449 HB1 ASN 449 -2.237 5.891 -0.697 131 HD21 ASN 449 HD21 ASN 449 -5.618 5.872 0.198 132 HD22 ASN 449 HD22 ASN 449 -5.866 7.575 0.006 133 H ASN 450 HN ASN 450 -5.577 5.782 -3.175 134 HA ASN 450 HA ASN 450 -4.184 6.575 -5.574 135 HB2 ASN 450 HB2 ASN 450 -6.400 7.192 -6.413 136 HB3 ASN 450 HB1 ASN 450 -6.417 5.572 -5.725 137 HD21 ASN 450 HD21 ASN 450 -8.548 7.584 -6.149 138 HD22 ASN 450 HD22 ASN 450 -9.292 7.794 -4.604 139 H ARG 451 HN ARG 451 -5.143 8.092 -2.642 140 HA ARG 451 HA ARG 451 -5.374 10.748 -3.593 141 HB2 ARG 451 HB2 ARG 451 -6.253 9.985 -1.398 142 HB3 ARG 451 HB1 ARG 451 -4.603 9.807 -0.830 143 HG2 ARG 451 HG2 ARG 451 -5.541 12.458 -1.838 144 HG3 ARG 451 HG1 ARG 451 -5.980 11.922 -0.215 145 HD2 ARG 451 HD2 ARG 451 -3.636 11.654 0.353 146 HD3 ARG 451 HD1 ARG 451 -3.164 12.099 -1.285 147 HE ARG 451 HE ARG 451 -4.525 13.962 0.567 148 HH11 ARG 451 HH11 ARG 451 -2.147 13.243 -1.890 149 HH12 ARG 451 HH12 ARG 451 -1.472 14.846 -1.911 150 HH21 ARG 451 HH21 ARG 451 -3.683 16.089 0.536 151 HH22 ARG 451 HH22 ARG 451 -2.370 16.482 -0.537 152 H THR 452 HN THR 452 -2.703 8.751 -2.614 153 HA THR 452 HA THR 452 -0.841 10.924 -3.265 154 HB THR 452 HB THR 452 0.885 9.306 -2.357 155 HG1 THR 452 HG1 THR 452 0.197 7.486 -1.340 156 HG21 THR 452 HG21 THR 452 0.025 11.153 -1.005 157 HG22 THR 452 HG22 THR 452 0.306 9.725 -0.011 158 HG23 THR 452 HG23 THR 452 -1.336 10.154 -0.492 159 H ALA 453 HN ALA 453 -2.086 7.901 -4.338 160 HA ALA 453 HA ALA 453 -1.872 6.674 -6.221 161 HB1 ALA 453 HB1 ALA 453 -0.441 9.117 -7.249 162 HB2 ALA 453 HB2 ALA 453 -2.141 8.701 -7.472 163 HB3 ALA 453 HB3 ALA 453 -0.887 7.729 -8.240 164 H GLU 454 HN GLU 454 -0.061 6.351 -4.093 165 HA GLU 454 HA GLU 454 2.110 5.043 -5.505 166 HB2 GLU 454 HB2 GLU 454 3.814 5.985 -3.913 167 HB3 GLU 454 HB1 GLU 454 3.188 7.119 -5.096 168 HG2 GLU 454 HG2 GLU 454 3.266 8.356 -3.145 169 HG3 GLU 454 HG1 GLU 454 1.579 7.862 -3.240 170 H SER 455 HN SER 455 3.091 3.361 -4.336 171 HA SER 455 HA SER 455 1.397 2.308 -2.218 172 HB2 SER 455 HB2 SER 455 3.796 1.005 -3.527 173 HB3 SER 455 HB1 SER 455 2.538 0.215 -2.575 174 HG SER 455 HG SER 455 2.204 1.509 -5.083 175 H THR 456 HN THR 456 1.852 2.670 -0.181 176 HA THR 456 HA THR 456 4.491 3.588 0.615 177 HB THR 456 HB THR 456 2.062 3.176 2.372 178 HG1 THR 456 HG1 THR 456 2.438 4.966 0.365 179 HG21 THR 456 HG21 THR 456 4.173 3.507 3.557 180 HG22 THR 456 HG22 THR 456 3.119 4.905 3.755 181 HG23 THR 456 HG23 THR 456 4.474 4.976 2.627 182 H TRP 457 HN TRP 457 5.989 2.258 1.420 183 HA TRP 457 HA TRP 457 5.174 -0.433 2.280 184 HB2 TRP 457 HB2 TRP 457 7.919 0.626 1.556 185 HB3 TRP 457 HB1 TRP 457 7.536 -1.045 1.959 186 HD1 TRP 457 HD1 TRP 457 7.047 1.540 -0.835 187 HE1 TRP 457 HE1 TRP 457 6.445 0.294 -3.004 188 HE3 TRP 457 HE3 TRP 457 6.554 -3.175 1.061 189 HZ2 TRP 457 HZ2 TRP 457 5.836 -2.346 -3.803 190 HZ3 TRP 457 HZ3 TRP 457 5.964 -5.005 -0.469 191 HH2 TRP 457 HH2 TRP 457 5.616 -4.601 -2.851 192 H GLU 458 HN GLU 458 6.170 2.558 3.398 193 HA GLU 458 HA GLU 458 7.345 1.617 5.873 194 HB2 GLU 458 HB2 GLU 458 6.598 4.437 5.074 195 HB3 GLU 458 HB1 GLU 458 7.663 3.962 6.388 196 HG2 GLU 458 HG2 GLU 458 9.198 4.566 4.820 197 HG3 GLU 458 HG1 GLU 458 9.039 2.850 4.453 198 H LYS 459 HN LYS 459 6.416 1.982 7.937 199 HA LYS 459 HA LYS 459 3.561 1.710 7.989 200 HB2 LYS 459 HB2 LYS 459 5.616 1.940 10.189 201 HB3 LYS 459 HB1 LYS 459 3.898 1.717 10.489 202 HG2 LYS 459 HG2 LYS 459 5.671 -0.183 8.962 203 HG3 LYS 459 HG1 LYS 459 5.129 -0.386 10.630 204 HD2 LYS 459 HD2 LYS 459 3.373 -0.285 8.176 205 HD3 LYS 459 HD1 LYS 459 3.761 -1.721 9.127 206 HE2 LYS 459 HE2 LYS 459 2.652 -0.715 11.072 207 HE3 LYS 459 HE1 LYS 459 2.262 0.708 10.109 208 HZ1 LYS 459 HZ1 LYS 459 1.032 -0.852 8.593 209 HZ2 LYS 459 HZ2 LYS 459 0.351 -0.640 10.128 210 HZ3 LYS 459 HZ3 LYS 459 1.229 -2.051 9.776 211 HA PRO 460 HA PRO 460 2.815 6.122 8.213 212 HB2 PRO 460 HB2 PRO 460 0.100 5.919 8.330 213 HB3 PRO 460 HB1 PRO 460 1.021 5.792 6.827 214 HG2 PRO 460 HG2 PRO 460 -0.136 3.630 8.533 215 HG3 PRO 460 HG1 PRO 460 -0.074 3.754 6.766 216 HD2 PRO 460 HD2 PRO 460 1.636 2.207 8.211 217 HD3 PRO 460 HD1 PRO 460 2.070 2.945 6.658 Start of MODEL 11 1 H SER 433 HT1 SER 433 -9.985 7.100 7.258 2 HA SER 433 HA SER 433 -8.147 7.015 5.669 3 HB2 SER 433 HB2 SER 433 -8.322 4.526 7.380 4 HB3 SER 433 HB1 SER 433 -6.869 5.418 6.926 5 HG SER 433 HG SER 433 -7.163 6.546 8.662 6 H GLU 434 HN GLU 434 -8.276 6.573 3.516 7 HA GLU 434 HA GLU 434 -9.124 3.892 2.716 8 HB2 GLU 434 HB2 GLU 434 -8.588 6.277 0.938 9 HB3 GLU 434 HB1 GLU 434 -9.347 4.761 0.470 10 HG2 GLU 434 HG2 GLU 434 -10.454 6.889 2.275 11 HG3 GLU 434 HG1 GLU 434 -11.061 6.377 0.701 12 H TRP 435 HN TRP 435 -7.350 2.687 3.200 13 HA TRP 435 HA TRP 435 -5.017 3.123 1.478 14 HB2 TRP 435 HB2 TRP 435 -4.860 2.343 4.406 15 HB3 TRP 435 HB1 TRP 435 -3.497 2.533 3.308 16 HD1 TRP 435 HD1 TRP 435 -5.910 4.528 5.455 17 HE1 TRP 435 HE1 TRP 435 -5.190 7.005 5.494 18 HE3 TRP 435 HE3 TRP 435 -2.231 4.364 1.910 19 HZ2 TRP 435 HZ2 TRP 435 -3.306 8.649 4.215 20 HZ3 TRP 435 HZ3 TRP 435 -1.026 6.440 1.380 21 HH2 TRP 435 HH2 TRP 435 -1.546 8.536 2.509 22 H THR 436 HN THR 436 -4.869 1.399 0.201 23 HA THR 436 HA THR 436 -6.131 -1.104 0.986 24 HB THR 436 HB THR 436 -4.867 -0.245 -1.620 25 HG1 THR 436 HG1 THR 436 -7.352 0.073 -0.530 26 HG21 THR 436 HG21 THR 436 -4.670 -2.668 -1.357 27 HG22 THR 436 HG22 THR 436 -5.881 -2.280 -2.580 28 HG23 THR 436 HG23 THR 436 -6.387 -2.779 -0.967 29 H GLU 437 HN GLU 437 -4.977 -2.678 1.931 30 HA GLU 437 HA GLU 437 -2.126 -2.814 1.397 31 HB2 GLU 437 HB2 GLU 437 -2.315 -4.849 3.010 32 HB3 GLU 437 HB1 GLU 437 -2.408 -3.221 3.656 33 HG2 GLU 437 HG2 GLU 437 -4.101 -4.309 4.769 34 HG3 GLU 437 HG1 GLU 437 -4.957 -3.526 3.444 35 H ARG 438 HN ARG 438 -1.408 -3.827 -0.283 36 HA ARG 438 HA ARG 438 -3.229 -5.642 -1.664 37 HB2 ARG 438 HB2 ARG 438 -0.915 -3.931 -2.506 38 HB3 ARG 438 HB1 ARG 438 -1.326 -5.358 -3.475 39 HG2 ARG 438 HG2 ARG 438 -3.753 -4.350 -3.337 40 HG3 ARG 438 HG1 ARG 438 -2.870 -2.856 -3.020 41 HD2 ARG 438 HD2 ARG 438 -1.590 -3.200 -5.090 42 HD3 ARG 438 HD1 ARG 438 -2.512 -4.661 -5.409 43 HE ARG 438 HE ARG 438 -4.223 -2.422 -5.048 44 HH11 ARG 438 HH11 ARG 438 -2.104 -3.969 -7.373 45 HH12 ARG 438 HH12 ARG 438 -2.902 -3.276 -8.755 46 HH21 ARG 438 HH21 ARG 438 -5.294 -1.530 -6.837 47 HH22 ARG 438 HH22 ARG 438 -4.727 -1.882 -8.450 48 H LYS 439 HN LYS 439 -3.011 -7.719 -1.413 49 HA LYS 439 HA LYS 439 -0.563 -8.752 -0.242 50 HB2 LYS 439 HB2 LYS 439 -3.156 -10.191 -0.834 51 HB3 LYS 439 HB1 LYS 439 -1.808 -10.831 0.090 52 HG2 LYS 439 HG2 LYS 439 -2.178 -9.075 1.788 53 HG3 LYS 439 HG1 LYS 439 -3.584 -8.526 0.871 54 HD2 LYS 439 HD2 LYS 439 -4.582 -10.770 1.110 55 HD3 LYS 439 HD1 LYS 439 -3.200 -11.265 2.085 56 HE2 LYS 439 HE2 LYS 439 -5.045 -10.699 3.529 57 HE3 LYS 439 HE1 LYS 439 -3.767 -9.502 3.723 58 HZ1 LYS 439 HZ1 LYS 439 -4.983 -7.916 2.536 59 HZ2 LYS 439 HZ2 LYS 439 -6.144 -8.662 3.522 60 HZ3 LYS 439 HZ3 LYS 439 -6.046 -9.066 1.881 61 H THR 440 HN THR 440 0.887 -8.781 -1.875 62 HA THR 440 HA THR 440 0.287 -10.245 -4.315 63 HB THR 440 HB THR 440 2.596 -9.697 -4.990 64 HG1 THR 440 HG1 THR 440 2.729 -8.430 -2.428 65 HG21 THR 440 HG21 THR 440 0.791 -8.099 -5.445 66 HG22 THR 440 HG22 THR 440 2.320 -7.273 -5.145 67 HG23 THR 440 HG23 THR 440 1.082 -7.324 -3.890 68 H ALA 441 HN ALA 441 1.376 -12.118 -5.000 69 HA ALA 441 HA ALA 441 1.652 -14.050 -2.923 70 HB1 ALA 441 HB1 ALA 441 2.191 -14.347 -5.871 71 HB2 ALA 441 HB2 ALA 441 0.630 -14.583 -5.084 72 HB3 ALA 441 HB3 ALA 441 1.981 -15.656 -4.711 73 H ASP 442 HN ASP 442 3.831 -11.806 -3.794 74 HA ASP 442 HA ASP 442 6.205 -13.452 -3.706 75 HB2 ASP 442 HB2 ASP 442 6.157 -11.253 -4.889 76 HB3 ASP 442 HB1 ASP 442 5.932 -10.455 -3.336 77 H GLY 443 HN GLY 443 3.897 -12.539 -1.554 78 HA2 GLY 443 HA2 GLY 443 3.808 -13.149 0.699 79 HA3 GLY 443 HA1 GLY 443 5.558 -13.311 0.705 80 H LYS 444 HN LYS 444 3.707 -10.520 -0.404 81 HA LYS 444 HA LYS 444 4.420 -9.026 1.976 82 HB2 LYS 444 HB2 LYS 444 5.607 -7.265 0.719 83 HB3 LYS 444 HB1 LYS 444 6.455 -8.803 0.689 84 HG2 LYS 444 HG2 LYS 444 5.446 -9.191 -1.582 85 HG3 LYS 444 HG1 LYS 444 4.878 -7.521 -1.526 86 HD2 LYS 444 HD2 LYS 444 7.188 -6.752 -1.245 87 HD3 LYS 444 HD1 LYS 444 7.753 -8.422 -1.322 88 HE2 LYS 444 HE2 LYS 444 6.671 -8.561 -3.593 89 HE3 LYS 444 HE1 LYS 444 6.425 -6.817 -3.493 90 HZ1 LYS 444 HZ1 LYS 444 8.845 -6.568 -3.232 91 HZ2 LYS 444 HZ2 LYS 444 8.426 -7.292 -4.703 92 HZ3 LYS 444 HZ3 LYS 444 9.031 -8.242 -3.437 93 H THR 445 HN THR 445 2.957 -7.548 2.448 94 HA THR 445 HA THR 445 1.021 -6.809 0.362 95 HB THR 445 HB THR 445 0.022 -7.966 2.291 96 HG1 THR 445 HG1 THR 445 -1.606 -6.438 2.630 97 HG21 THR 445 HG21 THR 445 -0.055 -6.886 4.493 98 HG22 THR 445 HG22 THR 445 1.041 -5.632 3.913 99 HG23 THR 445 HG23 THR 445 1.596 -7.301 4.034 100 H TYR 446 HN TYR 446 0.694 -4.652 -0.111 101 HA TYR 446 HA TYR 446 2.378 -2.763 1.370 102 HB2 TYR 446 HB2 TYR 446 3.045 -1.677 -0.731 103 HB3 TYR 446 HB1 TYR 446 3.615 -3.330 -0.623 104 HD1 TYR 446 HD1 TYR 446 0.724 -1.422 -2.062 105 HD2 TYR 446 HD2 TYR 446 3.454 -4.644 -2.505 106 HE1 TYR 446 HE1 TYR 446 -0.097 -1.781 -4.329 107 HE2 TYR 446 HE2 TYR 446 2.610 -5.039 -4.781 108 HH TYR 446 HH TYR 446 0.860 -2.815 -6.480 109 H TYR 447 HN TYR 447 1.649 -0.642 1.476 110 HA TYR 447 HA TYR 447 -1.244 -0.507 1.200 111 HB2 TYR 447 HB2 TYR 447 0.620 1.461 2.548 112 HB3 TYR 447 HB1 TYR 447 -1.133 1.417 2.678 113 HD1 TYR 447 HD1 TYR 447 -0.858 -1.829 2.809 114 HD2 TYR 447 HD2 TYR 447 0.635 1.451 5.053 115 HE1 TYR 447 HE1 TYR 447 -0.673 -3.280 4.778 116 HE2 TYR 447 HE2 TYR 447 0.829 0.005 7.033 117 HH TYR 447 HH TYR 447 -0.319 -2.167 7.858 118 H TYR 448 HN TYR 448 -1.795 0.037 -0.832 119 HA TYR 448 HA TYR 448 -0.339 2.129 -2.224 120 HB2 TYR 448 HB2 TYR 448 -1.164 0.020 -3.363 121 HB3 TYR 448 HB1 TYR 448 -2.797 0.653 -3.184 122 HD1 TYR 448 HD2 TYR 448 0.458 1.163 -4.834 123 HD2 TYR 448 HD1 TYR 448 -3.607 2.403 -4.617 124 HE1 TYR 448 HE2 TYR 448 0.737 2.427 -6.924 125 HE2 TYR 448 HE1 TYR 448 -3.337 3.671 -6.708 126 HH TYR 448 HH TYR 448 -0.650 3.300 -8.753 127 H ASN 449 HN ASN 449 -0.893 4.159 -2.210 128 HA ASN 449 HA ASN 449 -3.321 4.987 -0.833 129 HB2 ASN 449 HB2 ASN 449 -1.171 5.975 -0.169 130 HB3 ASN 449 HB1 ASN 449 -0.942 6.583 -1.807 131 HD21 ASN 449 HD21 ASN 449 -0.774 8.690 -0.836 132 HD22 ASN 449 HD22 ASN 449 -2.207 9.540 -0.362 133 H ASN 450 HN ASN 450 -5.065 5.707 -1.868 134 HA ASN 450 HA ASN 450 -4.951 6.131 -4.742 135 HB2 ASN 450 HB2 ASN 450 -7.382 6.230 -4.654 136 HB3 ASN 450 HB1 ASN 450 -6.815 4.814 -3.774 137 HD21 ASN 450 HD21 ASN 450 -7.029 4.747 -1.537 138 HD22 ASN 450 HD22 ASN 450 -8.034 5.855 -0.675 139 H ARG 451 HN ARG 451 -4.600 8.001 -1.973 140 HA ARG 451 HA ARG 451 -5.941 10.355 -2.781 141 HB2 ARG 451 HB2 ARG 451 -3.749 9.866 -0.795 142 HB3 ARG 451 HB1 ARG 451 -4.372 11.477 -1.114 143 HG2 ARG 451 HG2 ARG 451 -5.994 9.138 -0.127 144 HG3 ARG 451 HG1 ARG 451 -5.405 10.477 0.862 145 HD2 ARG 451 HD2 ARG 451 -7.369 10.635 -1.426 146 HD3 ARG 451 HD1 ARG 451 -7.721 10.858 0.288 147 HE ARG 451 HE ARG 451 -6.163 12.841 0.121 148 HH11 ARG 451 HH11 ARG 451 -8.080 11.685 -2.577 149 HH12 ARG 451 HH12 ARG 451 -8.051 13.207 -3.419 150 HH21 ARG 451 HH21 ARG 451 -6.153 14.852 -0.971 151 HH22 ARG 451 HH22 ARG 451 -6.976 15.018 -2.489 152 H THR 452 HN THR 452 -2.557 9.349 -3.025 153 HA THR 452 HA THR 452 -2.150 11.508 -4.990 154 HB THR 452 HB THR 452 0.191 10.348 -3.567 155 HG1 THR 452 HG1 THR 452 -0.360 11.099 -1.666 156 HG21 THR 452 HG21 THR 452 -0.580 13.150 -4.389 157 HG22 THR 452 HG22 THR 452 0.500 12.069 -5.271 158 HG23 THR 452 HG23 THR 452 0.966 12.678 -3.681 159 H ALA 453 HN ALA 453 -2.606 8.305 -4.789 160 HA ALA 453 HA ALA 453 -2.068 6.448 -5.969 161 HB1 ALA 453 HB1 ALA 453 -0.968 8.406 -7.987 162 HB2 ALA 453 HB2 ALA 453 -2.630 7.823 -7.911 163 HB3 ALA 453 HB3 ALA 453 -1.321 6.702 -8.281 164 H GLU 454 HN GLU 454 -0.497 6.692 -3.974 165 HA GLU 454 HA GLU 454 2.299 6.526 -4.895 166 HB2 GLU 454 HB2 GLU 454 1.260 7.046 -2.100 167 HB3 GLU 454 HB1 GLU 454 2.938 7.091 -2.614 168 HG2 GLU 454 HG2 GLU 454 2.585 9.058 -3.891 169 HG3 GLU 454 HG1 GLU 454 0.836 8.947 -3.691 170 H SER 455 HN SER 455 3.466 4.661 -4.432 171 HA SER 455 HA SER 455 2.024 2.511 -3.105 172 HB2 SER 455 HB2 SER 455 4.138 1.197 -3.703 173 HB3 SER 455 HB1 SER 455 3.143 1.761 -5.047 174 HG SER 455 HG SER 455 5.204 2.315 -5.574 175 H THR 456 HN THR 456 1.982 2.793 -0.975 176 HA THR 456 HA THR 456 4.292 3.828 0.449 177 HB THR 456 HB THR 456 1.540 3.068 1.454 178 HG1 THR 456 HG1 THR 456 2.677 5.507 0.538 179 HG21 THR 456 HG21 THR 456 3.240 3.044 3.223 180 HG22 THR 456 HG22 THR 456 2.113 4.385 3.431 181 HG23 THR 456 HG23 THR 456 3.725 4.678 2.776 182 H TRP 457 HN TRP 457 5.813 2.450 1.067 183 HA TRP 457 HA TRP 457 5.071 -0.345 1.581 184 HB2 TRP 457 HB2 TRP 457 7.674 0.941 0.766 185 HB3 TRP 457 HB1 TRP 457 7.587 -0.722 1.342 186 HD1 TRP 457 HD1 TRP 457 6.519 1.474 -1.619 187 HE1 TRP 457 HE1 TRP 457 5.916 -0.061 -3.605 188 HE3 TRP 457 HE3 TRP 457 6.836 -3.058 0.733 189 HZ2 TRP 457 HZ2 TRP 457 5.605 -2.812 -4.090 190 HZ3 TRP 457 HZ3 TRP 457 6.376 -5.093 -0.568 191 HH2 TRP 457 HH2 TRP 457 5.778 -4.975 -2.933 192 H GLU 458 HN GLU 458 5.570 2.416 3.238 193 HA GLU 458 HA GLU 458 6.590 0.950 5.572 194 HB2 GLU 458 HB2 GLU 458 7.210 3.179 6.519 195 HB3 GLU 458 HB1 GLU 458 8.119 2.731 5.087 196 HG2 GLU 458 HG2 GLU 458 5.742 4.571 5.018 197 HG3 GLU 458 HG1 GLU 458 7.398 5.130 5.237 198 H LYS 459 HN LYS 459 5.213 0.590 7.148 199 HA LYS 459 HA LYS 459 2.480 1.130 6.902 200 HB2 LYS 459 HB2 LYS 459 4.039 0.353 9.369 201 HB3 LYS 459 HB1 LYS 459 2.294 0.241 9.193 202 HG2 LYS 459 HG2 LYS 459 2.546 -1.422 7.450 203 HG3 LYS 459 HG1 LYS 459 4.303 -1.264 7.526 204 HD2 LYS 459 HD2 LYS 459 4.243 -2.015 9.874 205 HD3 LYS 459 HD1 LYS 459 2.497 -2.226 9.744 206 HE2 LYS 459 HE2 LYS 459 4.525 -3.661 8.034 207 HE3 LYS 459 HE1 LYS 459 3.793 -4.333 9.489 208 HZ1 LYS 459 HZ1 LYS 459 2.433 -3.628 6.945 209 HZ2 LYS 459 HZ2 LYS 459 1.594 -3.990 8.372 210 HZ3 LYS 459 HZ3 LYS 459 2.586 -5.163 7.656 211 HA PRO 460 HA PRO 460 2.475 5.378 8.536 212 HB2 PRO 460 HB2 PRO 460 -0.426 5.119 8.161 213 HB3 PRO 460 HB1 PRO 460 0.688 6.291 7.459 214 HG2 PRO 460 HG2 PRO 460 -0.452 4.327 6.003 215 HG3 PRO 460 HG1 PRO 460 1.163 4.958 5.654 216 HD2 PRO 460 HD2 PRO 460 0.368 2.421 7.006 217 HD3 PRO 460 HD1 PRO 460 1.715 2.743 5.894 Start of MODEL 12 1 H SER 433 HT1 SER 433 -8.909 8.259 4.215 2 HA SER 433 HA SER 433 -6.274 7.249 5.104 3 HB2 SER 433 HB2 SER 433 -8.963 7.444 6.481 4 HB3 SER 433 HB1 SER 433 -7.584 6.554 7.128 5 HG SER 433 HG SER 433 -6.425 8.499 7.212 6 H GLU 434 HN GLU 434 -8.189 6.569 2.772 7 HA GLU 434 HA GLU 434 -8.915 3.845 3.463 8 HB2 GLU 434 HB2 GLU 434 -9.867 3.778 1.153 9 HB3 GLU 434 HB1 GLU 434 -10.559 5.022 2.179 10 HG2 GLU 434 HG2 GLU 434 -8.409 5.541 0.133 11 HG3 GLU 434 HG1 GLU 434 -10.133 5.705 -0.188 12 H TRP 435 HN TRP 435 -6.799 3.037 3.802 13 HA TRP 435 HA TRP 435 -5.090 2.912 1.415 14 HB2 TRP 435 HB2 TRP 435 -4.377 2.310 4.299 15 HB3 TRP 435 HB1 TRP 435 -3.257 2.335 2.941 16 HD1 TRP 435 HD1 TRP 435 -5.044 4.603 5.387 17 HE1 TRP 435 HE1 TRP 435 -4.196 7.018 5.100 18 HE3 TRP 435 HE3 TRP 435 -2.285 3.992 1.125 19 HZ2 TRP 435 HZ2 TRP 435 -2.576 8.464 3.304 20 HZ3 TRP 435 HZ3 TRP 435 -1.124 5.948 0.186 21 HH2 TRP 435 HH2 TRP 435 -1.270 8.136 1.255 22 H THR 436 HN THR 436 -5.210 1.115 0.260 23 HA THR 436 HA THR 436 -6.200 -1.341 1.471 24 HB THR 436 HB THR 436 -5.413 -0.722 -1.386 25 HG1 THR 436 HG1 THR 436 -7.675 -0.251 0.036 26 HG21 THR 436 HG21 THR 436 -5.127 -3.105 -0.889 27 HG22 THR 436 HG22 THR 436 -6.503 -2.845 -1.963 28 HG23 THR 436 HG23 THR 436 -6.774 -3.174 -0.253 29 H GLU 437 HN GLU 437 -4.873 -2.909 2.198 30 HA GLU 437 HA GLU 437 -2.067 -2.783 1.468 31 HB2 GLU 437 HB2 GLU 437 -1.649 -4.414 3.172 32 HB3 GLU 437 HB1 GLU 437 -2.733 -3.214 3.843 33 HG2 GLU 437 HG2 GLU 437 -3.467 -5.982 2.919 34 HG3 GLU 437 HG1 GLU 437 -3.344 -5.423 4.584 35 H ARG 438 HN ARG 438 -1.481 -3.634 -0.357 36 HA ARG 438 HA ARG 438 -3.251 -5.586 -1.583 37 HB2 ARG 438 HB2 ARG 438 -1.011 -3.881 -2.665 38 HB3 ARG 438 HB1 ARG 438 -1.771 -5.161 -3.613 39 HG2 ARG 438 HG2 ARG 438 -3.931 -4.068 -3.391 40 HG3 ARG 438 HG1 ARG 438 -3.201 -2.808 -2.396 41 HD2 ARG 438 HD2 ARG 438 -3.519 -2.085 -4.718 42 HD3 ARG 438 HD1 ARG 438 -1.819 -2.100 -4.252 43 HE ARG 438 HE ARG 438 -2.364 -4.565 -5.423 44 HH11 ARG 438 HH11 ARG 438 -2.418 -1.201 -6.366 45 HH12 ARG 438 HH12 ARG 438 -1.983 -1.512 -8.019 46 HH21 ARG 438 HH21 ARG 438 -1.768 -4.999 -7.567 47 HH22 ARG 438 HH22 ARG 438 -1.560 -3.685 -8.694 48 H LYS 439 HN LYS 439 -2.930 -7.554 -1.126 49 HA LYS 439 HA LYS 439 -0.306 -8.442 -0.226 50 HB2 LYS 439 HB2 LYS 439 -3.001 -9.815 -0.101 51 HB3 LYS 439 HB1 LYS 439 -1.522 -10.370 0.677 52 HG2 LYS 439 HG2 LYS 439 -1.552 -8.641 2.242 53 HG3 LYS 439 HG1 LYS 439 -2.662 -7.664 1.283 54 HD2 LYS 439 HD2 LYS 439 -3.421 -10.297 2.538 55 HD3 LYS 439 HD1 LYS 439 -3.665 -8.737 3.323 56 HE2 LYS 439 HE2 LYS 439 -4.814 -9.538 0.650 57 HE3 LYS 439 HE1 LYS 439 -5.691 -9.566 2.178 58 HZ1 LYS 439 HZ1 LYS 439 -5.472 -7.190 2.358 59 HZ2 LYS 439 HZ2 LYS 439 -6.119 -7.557 0.834 60 HZ3 LYS 439 HZ3 LYS 439 -4.491 -7.122 0.978 61 H THR 440 HN THR 440 0.801 -8.709 -2.127 62 HA THR 440 HA THR 440 -0.262 -10.542 -4.120 63 HB THR 440 HB THR 440 0.971 -8.596 -4.943 64 HG1 THR 440 HG1 THR 440 2.570 -9.835 -6.222 65 HG21 THR 440 HG21 THR 440 3.397 -8.413 -4.621 66 HG22 THR 440 HG22 THR 440 3.348 -9.779 -3.506 67 HG23 THR 440 HG23 THR 440 2.525 -8.274 -3.095 68 H ALA 441 HN ALA 441 0.681 -12.508 -4.684 69 HA ALA 441 HA ALA 441 1.393 -14.087 -2.431 70 HB1 ALA 441 HB1 ALA 441 1.461 -15.945 -3.999 71 HB2 ALA 441 HB2 ALA 441 1.426 -14.819 -5.357 72 HB3 ALA 441 HB3 ALA 441 0.036 -14.943 -4.278 73 H ASP 442 HN ASP 442 3.258 -12.114 -4.346 74 HA ASP 442 HA ASP 442 5.711 -13.543 -4.376 75 HB2 ASP 442 HB2 ASP 442 5.347 -11.592 -5.803 76 HB3 ASP 442 HB1 ASP 442 5.155 -10.564 -4.389 77 H GLY 443 HN GLY 443 3.849 -12.329 -1.879 78 HA2 GLY 443 HA2 GLY 443 4.269 -12.780 0.378 79 HA3 GLY 443 HA1 GLY 443 5.980 -12.930 0.011 80 H LYS 444 HN LYS 444 3.913 -10.219 -0.897 81 HA LYS 444 HA LYS 444 4.960 -8.630 1.292 82 HB2 LYS 444 HB2 LYS 444 5.861 -6.858 -0.139 83 HB3 LYS 444 HB1 LYS 444 6.729 -8.367 -0.369 84 HG2 LYS 444 HG2 LYS 444 5.845 -8.698 -2.495 85 HG3 LYS 444 HG1 LYS 444 4.501 -7.589 -2.213 86 HD2 LYS 444 HD2 LYS 444 6.105 -6.548 -3.691 87 HD3 LYS 444 HD1 LYS 444 6.111 -5.713 -2.137 88 HE2 LYS 444 HE2 LYS 444 8.370 -5.926 -2.651 89 HE3 LYS 444 HE1 LYS 444 8.074 -7.268 -1.546 90 HZ1 LYS 444 HZ1 LYS 444 8.243 -7.415 -4.509 91 HZ2 LYS 444 HZ2 LYS 444 7.824 -8.723 -3.511 92 HZ3 LYS 444 HZ3 LYS 444 9.369 -8.027 -3.395 93 H THR 445 HN THR 445 3.609 -7.032 1.897 94 HA THR 445 HA THR 445 1.340 -6.467 0.109 95 HB THR 445 HB THR 445 0.835 -7.529 2.389 96 HG1 THR 445 HG1 THR 445 -0.710 -6.379 1.090 97 HG21 THR 445 HG21 THR 445 0.703 -5.995 4.294 98 HG22 THR 445 HG22 THR 445 1.481 -4.734 3.336 99 HG23 THR 445 HG23 THR 445 2.370 -6.197 3.755 100 H TYR 446 HN TYR 446 0.671 -4.283 -0.099 101 HA TYR 446 HA TYR 446 2.392 -2.251 1.066 102 HB2 TYR 446 HB2 TYR 446 2.542 -1.165 -1.273 103 HB3 TYR 446 HB1 TYR 446 3.627 -2.495 -0.898 104 HD1 TYR 446 HD1 TYR 446 0.735 -1.442 -2.898 105 HD2 TYR 446 HD2 TYR 446 3.402 -4.635 -2.013 106 HE1 TYR 446 HE1 TYR 446 0.023 -2.596 -4.944 107 HE2 TYR 446 HE2 TYR 446 2.688 -5.802 -4.054 108 HH TYR 446 HH TYR 446 0.940 -4.303 -6.511 109 H TYR 447 HN TYR 447 1.394 -0.293 1.337 110 HA TYR 447 HA TYR 447 -1.506 -0.457 1.120 111 HB2 TYR 447 HB2 TYR 447 0.111 1.709 2.477 112 HB3 TYR 447 HB1 TYR 447 -1.587 1.313 2.734 113 HD1 TYR 447 HD1 TYR 447 -1.671 -1.505 3.147 114 HD2 TYR 447 HD2 TYR 447 1.317 1.244 4.406 115 HE1 TYR 447 HE1 TYR 447 -1.038 -3.038 4.958 116 HE2 TYR 447 HE2 TYR 447 1.950 -0.280 6.232 117 HH TYR 447 HH TYR 447 0.874 -3.506 6.385 118 H TYR 448 HN TYR 448 -2.150 0.072 -0.868 119 HA TYR 448 HA TYR 448 -0.950 2.423 -2.151 120 HB2 TYR 448 HB2 TYR 448 -1.230 -0.059 -3.167 121 HB3 TYR 448 HB1 TYR 448 -2.761 0.640 -3.683 122 HD1 TYR 448 HD1 TYR 448 -2.627 2.907 -4.950 123 HD2 TYR 448 HD2 TYR 448 0.690 0.293 -4.423 124 HE1 TYR 448 HE1 TYR 448 -1.474 3.997 -6.830 125 HE2 TYR 448 HE2 TYR 448 1.849 1.374 -6.301 126 HH TYR 448 HH TYR 448 0.976 4.312 -7.542 127 H ASN 449 HN ASN 449 -2.082 4.215 -2.371 128 HA ASN 449 HA ASN 449 -5.022 4.082 -2.373 129 HB2 ASN 449 HB2 ASN 449 -4.126 4.839 -0.139 130 HB3 ASN 449 HB1 ASN 449 -3.401 6.215 -0.958 131 HD21 ASN 449 HD21 ASN 449 -5.320 6.268 1.157 132 HD22 ASN 449 HD22 ASN 449 -6.745 7.053 0.560 133 H ASN 450 HN ASN 450 -5.942 5.260 -3.958 134 HA ASN 450 HA ASN 450 -4.278 6.338 -6.004 135 HB2 ASN 450 HB2 ASN 450 -6.343 6.823 -7.194 136 HB3 ASN 450 HB1 ASN 450 -6.432 5.213 -6.488 137 HD21 ASN 450 HD21 ASN 450 -7.695 8.430 -6.457 138 HD22 ASN 450 HD22 ASN 450 -9.030 8.117 -5.403 139 H ARG 451 HN ARG 451 -5.369 7.619 -3.127 140 HA ARG 451 HA ARG 451 -5.991 10.253 -3.621 141 HB2 ARG 451 HB2 ARG 451 -6.003 9.129 -1.399 142 HB3 ARG 451 HB1 ARG 451 -4.251 9.238 -1.371 143 HG2 ARG 451 HG2 ARG 451 -5.875 11.717 -1.703 144 HG3 ARG 451 HG1 ARG 451 -5.697 10.988 -0.106 145 HD2 ARG 451 HD2 ARG 451 -3.286 11.139 -0.277 146 HD3 ARG 451 HD1 ARG 451 -3.419 11.778 -1.914 147 HE ARG 451 HE ARG 451 -4.818 13.348 0.053 148 HH11 ARG 451 HH11 ARG 451 -1.725 12.733 -1.473 149 HH12 ARG 451 HH12 ARG 451 -1.098 14.328 -1.170 150 HH21 ARG 451 HH21 ARG 451 -4.021 15.466 0.436 151 HH22 ARG 451 HH22 ARG 451 -2.413 15.888 -0.092 152 H THR 452 HN THR 452 -2.730 8.889 -3.181 153 HA THR 452 HA THR 452 -1.723 11.164 -4.762 154 HB THR 452 HB THR 452 0.075 9.563 -2.969 155 HG1 THR 452 HG1 THR 452 -0.464 10.801 -1.231 156 HG21 THR 452 HG21 THR 452 1.066 11.157 -4.547 157 HG22 THR 452 HG22 THR 452 1.318 11.672 -2.879 158 HG23 THR 452 HG23 THR 452 0.078 12.449 -3.864 159 H ALA 453 HN ALA 453 -2.525 8.022 -4.972 160 HA ALA 453 HA ALA 453 -1.974 6.218 -6.233 161 HB1 ALA 453 HB1 ALA 453 -0.893 6.584 -8.371 162 HB2 ALA 453 HB2 ALA 453 -0.342 8.175 -7.856 163 HB3 ALA 453 HB3 ALA 453 -2.065 7.869 -8.072 164 H GLU 454 HN GLU 454 -0.539 6.684 -3.922 165 HA GLU 454 HA GLU 454 2.274 6.134 -4.550 166 HB2 GLU 454 HB2 GLU 454 0.859 7.354 -2.205 167 HB3 GLU 454 HB1 GLU 454 2.468 6.672 -2.009 168 HG2 GLU 454 HG2 GLU 454 1.815 8.748 -4.076 169 HG3 GLU 454 HG1 GLU 454 2.351 9.143 -2.442 170 H SER 455 HN SER 455 3.277 4.329 -3.865 171 HA SER 455 HA SER 455 1.726 2.316 -2.456 172 HB2 SER 455 HB2 SER 455 3.837 0.933 -2.844 173 HB3 SER 455 HB1 SER 455 2.966 1.435 -4.293 174 HG SER 455 HG SER 455 4.722 2.398 -4.910 175 H THR 456 HN THR 456 1.702 2.391 -0.313 176 HA THR 456 HA THR 456 3.813 3.774 1.127 177 HB THR 456 HB THR 456 1.364 2.444 2.299 178 HG1 THR 456 HG1 THR 456 0.532 3.907 0.871 179 HG21 THR 456 HG21 THR 456 1.663 4.107 4.081 180 HG22 THR 456 HG22 THR 456 3.098 4.725 3.260 181 HG23 THR 456 HG23 THR 456 3.089 3.083 3.906 182 H TRP 457 HN TRP 457 5.552 2.703 1.735 183 HA TRP 457 HA TRP 457 5.314 -0.163 2.387 184 HB2 TRP 457 HB2 TRP 457 7.781 1.398 1.578 185 HB3 TRP 457 HB1 TRP 457 7.705 -0.337 1.886 186 HD1 TRP 457 HD1 TRP 457 6.795 2.289 -0.722 187 HE1 TRP 457 HE1 TRP 457 6.166 1.111 -2.921 188 HE3 TRP 457 HE3 TRP 457 6.770 -2.547 0.941 189 HZ2 TRP 457 HZ2 TRP 457 5.727 -1.530 -3.828 190 HZ3 TRP 457 HZ3 TRP 457 6.242 -4.341 -0.657 191 HH2 TRP 457 HH2 TRP 457 5.734 -3.842 -2.994 192 H GLU 458 HN GLU 458 5.547 2.818 3.752 193 HA GLU 458 HA GLU 458 7.110 1.969 6.065 194 HB2 GLU 458 HB2 GLU 458 6.704 4.335 6.829 195 HB3 GLU 458 HB1 GLU 458 7.606 4.188 5.328 196 HG2 GLU 458 HG2 GLU 458 5.552 4.655 4.069 197 HG3 GLU 458 HG1 GLU 458 4.688 4.858 5.592 198 H LYS 459 HN LYS 459 6.221 1.338 7.928 199 HA LYS 459 HA LYS 459 3.423 0.788 8.036 200 HB2 LYS 459 HB2 LYS 459 5.676 0.485 10.001 201 HB3 LYS 459 HB1 LYS 459 4.012 0.139 10.453 202 HG2 LYS 459 HG2 LYS 459 5.491 -1.173 8.183 203 HG3 LYS 459 HG1 LYS 459 5.264 -1.869 9.789 204 HD2 LYS 459 HD2 LYS 459 3.048 -1.088 7.893 205 HD3 LYS 459 HD1 LYS 459 3.628 -2.731 8.166 206 HE2 LYS 459 HE2 LYS 459 2.926 -2.644 10.473 207 HE3 LYS 459 HE1 LYS 459 2.476 -0.947 10.309 208 HZ1 LYS 459 HZ1 LYS 459 1.211 -3.212 8.858 209 HZ2 LYS 459 HZ2 LYS 459 0.764 -1.588 8.739 210 HZ3 LYS 459 HZ3 LYS 459 0.547 -2.414 10.200 211 HA PRO 460 HA PRO 460 2.426 4.675 10.067 212 HB2 PRO 460 HB2 PRO 460 -0.166 4.715 9.333 213 HB3 PRO 460 HB1 PRO 460 1.133 5.162 8.224 214 HG2 PRO 460 HG2 PRO 460 -0.541 2.735 8.282 215 HG3 PRO 460 HG1 PRO 460 0.317 3.479 6.925 216 HD2 PRO 460 HD2 PRO 460 1.131 1.234 8.487 217 HD3 PRO 460 HD1 PRO 460 2.027 2.034 7.183 Start of MODEL 13 1 H SER 433 HT1 SER 433 -9.591 4.037 7.133 2 HA SER 433 HA SER 433 -9.530 2.454 5.362 3 HB2 SER 433 HB2 SER 433 -11.762 3.179 4.252 4 HB3 SER 433 HB1 SER 433 -11.727 2.940 5.998 5 HG SER 433 HG SER 433 -11.262 5.498 4.848 6 H GLU 434 HN GLU 434 -7.893 5.030 4.540 7 HA GLU 434 HA GLU 434 -8.558 5.060 1.686 8 HB2 GLU 434 HB2 GLU 434 -6.751 6.873 3.292 9 HB3 GLU 434 HB1 GLU 434 -7.060 7.032 1.573 10 HG2 GLU 434 HG2 GLU 434 -8.408 8.632 2.650 11 HG3 GLU 434 HG1 GLU 434 -9.488 7.336 2.137 12 H TRP 435 HN TRP 435 -6.429 3.587 3.802 13 HA TRP 435 HA TRP 435 -4.309 3.371 1.776 14 HB2 TRP 435 HB2 TRP 435 -4.106 2.655 4.712 15 HB3 TRP 435 HB1 TRP 435 -2.783 2.863 3.563 16 HD1 TRP 435 HD1 TRP 435 -4.900 4.769 5.999 17 HE1 TRP 435 HE1 TRP 435 -4.312 7.276 5.919 18 HE3 TRP 435 HE3 TRP 435 -1.912 4.770 1.858 19 HZ2 TRP 435 HZ2 TRP 435 -2.781 9.016 4.317 20 HZ3 TRP 435 HZ3 TRP 435 -0.927 6.897 1.120 21 HH2 TRP 435 HH2 TRP 435 -1.364 8.978 2.308 22 H THR 436 HN THR 436 -4.497 1.609 0.564 23 HA THR 436 HA THR 436 -5.823 -0.761 1.665 24 HB THR 436 HB THR 436 -5.027 -0.024 -1.156 25 HG1 THR 436 HG1 THR 436 -6.913 0.993 -0.321 26 HG21 THR 436 HG21 THR 436 -6.401 -2.549 -0.202 27 HG22 THR 436 HG22 THR 436 -4.760 -2.453 -0.844 28 HG23 THR 436 HG23 THR 436 -6.139 -2.089 -1.885 29 H GLU 437 HN GLU 437 -4.695 -2.492 2.329 30 HA GLU 437 HA GLU 437 -1.896 -2.731 1.575 31 HB2 GLU 437 HB2 GLU 437 -1.836 -4.649 3.104 32 HB3 GLU 437 HB1 GLU 437 -2.496 -3.232 3.906 33 HG2 GLU 437 HG2 GLU 437 -4.557 -4.142 4.127 34 HG3 GLU 437 HG1 GLU 437 -4.417 -5.097 2.652 35 H ARG 438 HN ARG 438 -1.403 -3.686 -0.274 36 HA ARG 438 HA ARG 438 -3.347 -5.542 -1.427 37 HB2 ARG 438 HB2 ARG 438 -1.944 -3.524 -2.630 38 HB3 ARG 438 HB1 ARG 438 -0.900 -4.906 -2.940 39 HG2 ARG 438 HG2 ARG 438 -2.743 -6.124 -3.956 40 HG3 ARG 438 HG1 ARG 438 -3.823 -4.766 -3.644 41 HD2 ARG 438 HD2 ARG 438 -2.500 -3.351 -5.098 42 HD3 ARG 438 HD1 ARG 438 -1.350 -4.659 -5.362 43 HE ARG 438 HE ARG 438 -4.068 -5.314 -6.084 44 HH11 ARG 438 HH11 ARG 438 -0.995 -4.018 -7.164 45 HH12 ARG 438 HH12 ARG 438 -1.337 -4.252 -8.855 46 HH21 ARG 438 HH21 ARG 438 -4.539 -5.614 -8.299 47 HH22 ARG 438 HH22 ARG 438 -3.375 -5.129 -9.503 48 H LYS 439 HN LYS 439 -3.051 -7.485 -0.487 49 HA LYS 439 HA LYS 439 -0.337 -8.331 0.106 50 HB2 LYS 439 HB2 LYS 439 -2.161 -8.627 1.794 51 HB3 LYS 439 HB1 LYS 439 -2.935 -9.766 0.701 52 HG2 LYS 439 HG2 LYS 439 -0.891 -11.167 0.804 53 HG3 LYS 439 HG1 LYS 439 -0.245 -10.061 2.013 54 HD2 LYS 439 HD2 LYS 439 -2.857 -11.532 2.320 55 HD3 LYS 439 HD1 LYS 439 -1.320 -12.150 2.919 56 HE2 LYS 439 HE2 LYS 439 -2.266 -11.129 4.783 57 HE3 LYS 439 HE1 LYS 439 -1.146 -9.915 4.176 58 HZ1 LYS 439 HZ1 LYS 439 -3.903 -9.801 3.211 59 HZ2 LYS 439 HZ2 LYS 439 -2.829 -8.535 3.572 60 HZ3 LYS 439 HZ3 LYS 439 -3.629 -9.352 4.822 61 H THR 440 HN THR 440 0.528 -8.753 -1.820 62 HA THR 440 HA THR 440 -0.769 -10.600 -3.649 63 HB THR 440 HB THR 440 1.139 -10.202 -5.132 64 HG1 THR 440 HG1 THR 440 2.189 -8.859 -2.847 65 HG21 THR 440 HG21 THR 440 -0.735 -8.516 -4.966 66 HG22 THR 440 HG22 THR 440 0.787 -7.899 -5.611 67 HG23 THR 440 HG23 THR 440 0.332 -7.548 -3.946 68 H ALA 441 HN ALA 441 -0.012 -12.638 -4.180 69 HA ALA 441 HA ALA 441 1.188 -14.135 -2.089 70 HB1 ALA 441 HB1 ALA 441 0.639 -14.942 -4.942 71 HB2 ALA 441 HB2 ALA 441 -0.477 -15.105 -3.586 72 HB3 ALA 441 HB3 ALA 441 1.023 -16.034 -3.611 73 H ASP 442 HN ASP 442 2.603 -12.062 -4.115 74 HA ASP 442 HA ASP 442 4.998 -13.409 -4.857 75 HB2 ASP 442 HB2 ASP 442 4.193 -11.360 -5.971 76 HB3 ASP 442 HB1 ASP 442 4.415 -10.458 -4.479 77 H GLY 443 HN GLY 443 3.732 -12.603 -1.922 78 HA2 GLY 443 HA2 GLY 443 4.726 -13.033 0.155 79 HA3 GLY 443 HA1 GLY 443 6.309 -12.931 -0.606 80 H LYS 444 HN LYS 444 3.930 -10.471 -1.184 81 HA LYS 444 HA LYS 444 5.042 -8.728 0.850 82 HB2 LYS 444 HB2 LYS 444 5.658 -6.961 -0.762 83 HB3 LYS 444 HB1 LYS 444 6.647 -8.402 -0.930 84 HG2 LYS 444 HG2 LYS 444 5.870 -8.864 -2.999 85 HG3 LYS 444 HG1 LYS 444 4.257 -8.228 -2.660 86 HD2 LYS 444 HD2 LYS 444 5.106 -5.951 -2.812 87 HD3 LYS 444 HD1 LYS 444 6.740 -6.558 -3.082 88 HE2 LYS 444 HE2 LYS 444 4.447 -7.250 -4.900 89 HE3 LYS 444 HE1 LYS 444 5.415 -5.794 -5.123 90 HZ1 LYS 444 HZ1 LYS 444 6.417 -8.597 -5.160 91 HZ2 LYS 444 HZ2 LYS 444 7.395 -7.220 -5.276 92 HZ3 LYS 444 HZ3 LYS 444 6.265 -7.549 -6.494 93 H THR 445 HN THR 445 3.560 -7.407 1.626 94 HA THR 445 HA THR 445 1.250 -6.712 -0.059 95 HB THR 445 HB THR 445 0.630 -7.781 2.092 96 HG1 THR 445 HG1 THR 445 -0.899 -6.237 2.650 97 HG21 THR 445 HG21 THR 445 2.527 -7.087 3.453 98 HG22 THR 445 HG22 THR 445 1.010 -6.595 4.209 99 HG23 THR 445 HG23 THR 445 2.000 -5.406 3.358 100 H TYR 446 HN TYR 446 0.716 -4.481 -0.271 101 HA TYR 446 HA TYR 446 2.603 -2.598 0.901 102 HB2 TYR 446 HB2 TYR 446 2.848 -1.429 -1.322 103 HB3 TYR 446 HB1 TYR 446 3.714 -2.943 -1.144 104 HD1 TYR 446 HD1 TYR 446 0.439 -1.666 -2.502 105 HD2 TYR 446 HD2 TYR 446 3.641 -4.452 -2.871 106 HE1 TYR 446 HE1 TYR 446 -0.454 -2.402 -4.658 107 HE2 TYR 446 HE2 TYR 446 2.723 -5.220 -5.018 108 HH TYR 446 HH TYR 446 0.764 -5.199 -6.329 109 H TYR 447 HN TYR 447 1.848 -0.495 1.086 110 HA TYR 447 HA TYR 447 -1.058 -0.397 1.100 111 HB2 TYR 447 HB2 TYR 447 1.075 1.328 2.354 112 HB3 TYR 447 HB1 TYR 447 -0.616 1.811 2.330 113 HD1 TYR 447 HD1 TYR 447 0.175 -1.733 2.678 114 HD2 TYR 447 HD2 TYR 447 -0.605 1.884 4.778 115 HE1 TYR 447 HE1 TYR 447 -0.239 -3.025 4.728 116 HE2 TYR 447 HE2 TYR 447 -1.026 0.600 6.836 117 HH TYR 447 HH TYR 447 -1.800 -1.778 7.376 118 H TYR 448 HN TYR 448 -1.738 0.027 -0.923 119 HA TYR 448 HA TYR 448 -0.390 2.096 -2.458 120 HB2 TYR 448 HB2 TYR 448 -1.308 -0.183 -3.365 121 HB3 TYR 448 HB1 TYR 448 -2.855 0.659 -3.395 122 HD1 TYR 448 HD2 TYR 448 0.569 0.631 -4.751 123 HD2 TYR 448 HD1 TYR 448 -3.331 2.301 -5.079 124 HE1 TYR 448 HE2 TYR 448 1.181 1.627 -6.912 125 HE2 TYR 448 HE1 TYR 448 -2.726 3.299 -7.244 126 HH TYR 448 HH TYR 448 0.121 2.433 -8.935 127 H ASN 449 HN ASN 449 -0.987 4.093 -2.416 128 HA ASN 449 HA ASN 449 -3.461 4.827 -1.052 129 HB2 ASN 449 HB2 ASN 449 -1.367 5.838 -0.275 130 HB3 ASN 449 HB1 ASN 449 -1.076 6.492 -1.884 131 HD21 ASN 449 HD21 ASN 449 -1.004 8.585 -1.012 132 HD22 ASN 449 HD22 ASN 449 -2.443 9.410 -0.523 133 H ASN 450 HN ASN 450 -5.175 5.562 -2.100 134 HA ASN 450 HA ASN 450 -5.054 5.991 -4.957 135 HB2 ASN 450 HB2 ASN 450 -6.968 4.824 -3.828 136 HB3 ASN 450 HB1 ASN 450 -7.415 6.360 -3.095 137 HD21 ASN 450 HD21 ASN 450 -6.152 5.987 -6.340 138 HD22 ASN 450 HD22 ASN 450 -7.603 6.451 -7.161 139 H ARG 451 HN ARG 451 -4.607 7.886 -2.207 140 HA ARG 451 HA ARG 451 -5.729 10.323 -3.167 141 HB2 ARG 451 HB2 ARG 451 -5.394 9.927 -0.778 142 HB3 ARG 451 HB1 ARG 451 -3.654 9.887 -1.027 143 HG2 ARG 451 HG2 ARG 451 -3.627 12.208 -1.636 144 HG3 ARG 451 HG1 ARG 451 -5.391 12.279 -1.608 145 HD2 ARG 451 HD2 ARG 451 -3.602 11.722 0.757 146 HD3 ARG 451 HD1 ARG 451 -4.435 13.241 0.423 147 HE ARG 451 HE ARG 451 -6.533 11.778 0.560 148 HH11 ARG 451 HH11 ARG 451 -3.638 11.303 2.489 149 HH12 ARG 451 HH12 ARG 451 -4.490 10.481 3.763 150 HH21 ARG 451 HH21 ARG 451 -7.643 10.744 2.256 151 HH22 ARG 451 HH22 ARG 451 -6.753 10.175 3.643 152 H THR 452 HN THR 452 -2.483 8.935 -3.173 153 HA THR 452 HA THR 452 -1.646 11.114 -4.969 154 HB THR 452 HB THR 452 0.695 10.640 -4.107 155 HG1 THR 452 HG1 THR 452 0.936 9.256 -2.514 156 HG21 THR 452 HG21 THR 452 0.402 12.036 -2.120 157 HG22 THR 452 HG22 THR 452 -1.332 11.719 -2.145 158 HG23 THR 452 HG23 THR 452 -0.584 12.628 -3.456 159 H ALA 453 HN ALA 453 -2.439 7.958 -4.996 160 HA ALA 453 HA ALA 453 -1.962 6.124 -6.246 161 HB1 ALA 453 HB1 ALA 453 -0.687 8.134 -8.107 162 HB2 ALA 453 HB2 ALA 453 -2.387 7.665 -8.101 163 HB3 ALA 453 HB3 ALA 453 -1.147 6.483 -8.522 164 H GLU 454 HN GLU 454 -0.301 6.453 -4.164 165 HA GLU 454 HA GLU 454 2.428 5.993 -5.173 166 HB2 GLU 454 HB2 GLU 454 1.366 7.374 -2.748 167 HB3 GLU 454 HB1 GLU 454 2.947 6.612 -2.670 168 HG2 GLU 454 HG2 GLU 454 2.192 8.625 -4.766 169 HG3 GLU 454 HG1 GLU 454 2.940 9.051 -3.228 170 H SER 455 HN SER 455 3.582 4.255 -4.452 171 HA SER 455 HA SER 455 2.158 2.248 -2.904 172 HB2 SER 455 HB2 SER 455 4.193 0.849 -3.389 173 HB3 SER 455 HB1 SER 455 3.355 1.424 -4.831 174 HG SER 455 HG SER 455 5.442 2.965 -3.762 175 H THR 456 HN THR 456 2.084 2.801 -0.845 176 HA THR 456 HA THR 456 4.393 3.852 0.571 177 HB THR 456 HB THR 456 1.576 3.214 1.496 178 HG1 THR 456 HG1 THR 456 2.755 5.766 0.998 179 HG21 THR 456 HG21 THR 456 2.077 4.553 3.460 180 HG22 THR 456 HG22 THR 456 3.727 4.809 2.888 181 HG23 THR 456 HG23 THR 456 3.191 3.191 3.346 182 H TRP 457 HN TRP 457 5.713 2.615 1.827 183 HA TRP 457 HA TRP 457 4.887 -0.177 2.306 184 HB2 TRP 457 HB2 TRP 457 7.670 0.941 1.898 185 HB3 TRP 457 HB1 TRP 457 7.311 -0.734 2.305 186 HD1 TRP 457 HD1 TRP 457 7.096 1.758 -0.585 187 HE1 TRP 457 HE1 TRP 457 6.697 0.460 -2.770 188 HE3 TRP 457 HE3 TRP 457 6.347 -2.900 1.382 189 HZ2 TRP 457 HZ2 TRP 457 6.115 -2.190 -3.545 190 HZ3 TRP 457 HZ3 TRP 457 5.877 -4.766 -0.154 191 HH2 TRP 457 HH2 TRP 457 5.772 -4.415 -2.567 192 H GLU 458 HN GLU 458 5.337 2.701 3.796 193 HA GLU 458 HA GLU 458 6.359 1.572 6.295 194 HB2 GLU 458 HB2 GLU 458 5.906 4.439 5.438 195 HB3 GLU 458 HB1 GLU 458 6.481 3.960 7.026 196 HG2 GLU 458 HG2 GLU 458 8.361 4.653 5.766 197 HG3 GLU 458 HG1 GLU 458 8.446 2.900 5.918 198 H LYS 459 HN LYS 459 5.175 1.634 8.192 199 HA LYS 459 HA LYS 459 2.302 1.955 7.932 200 HB2 LYS 459 HB2 LYS 459 3.364 0.108 9.270 201 HB3 LYS 459 HB1 LYS 459 3.919 1.327 10.410 202 HG2 LYS 459 HG2 LYS 459 2.011 0.648 11.449 203 HG3 LYS 459 HG1 LYS 459 1.363 1.958 10.463 204 HD2 LYS 459 HD2 LYS 459 -0.106 0.096 10.224 205 HD3 LYS 459 HD1 LYS 459 0.804 0.241 8.717 206 HE2 LYS 459 HE2 LYS 459 2.312 -1.527 9.433 207 HE3 LYS 459 HE1 LYS 459 1.470 -1.645 10.977 208 HZ1 LYS 459 HZ1 LYS 459 -0.562 -2.209 9.650 209 HZ2 LYS 459 HZ2 LYS 459 0.664 -3.376 9.629 210 HZ3 LYS 459 HZ3 LYS 459 0.439 -2.359 8.290 211 HA PRO 460 HA PRO 460 2.924 6.281 9.230 212 HB2 PRO 460 HB2 PRO 460 0.037 6.517 8.792 213 HB3 PRO 460 HB1 PRO 460 1.360 7.383 8.010 214 HG2 PRO 460 HG2 PRO 460 -0.127 5.532 6.725 215 HG3 PRO 460 HG1 PRO 460 1.583 5.814 6.354 216 HD2 PRO 460 HD2 PRO 460 0.325 3.625 7.956 217 HD3 PRO 460 HD1 PRO 460 1.687 3.561 6.816 Start of MODEL 14 1 H SER 433 HT1 SER 433 -10.616 3.493 5.396 2 HA SER 433 HA SER 433 -9.902 1.488 4.452 3 HB2 SER 433 HB2 SER 433 -12.301 1.719 2.616 4 HB3 SER 433 HB1 SER 433 -11.108 0.420 2.603 5 HG SER 433 HG SER 433 -11.826 0.340 5.013 6 H GLU 434 HN GLU 434 -9.460 4.324 4.110 7 HA GLU 434 HA GLU 434 -9.130 4.967 1.363 8 HB2 GLU 434 HB2 GLU 434 -7.728 6.184 3.756 9 HB3 GLU 434 HB1 GLU 434 -7.826 6.883 2.149 10 HG2 GLU 434 HG2 GLU 434 -9.383 8.046 3.456 11 HG3 GLU 434 HG1 GLU 434 -10.331 6.943 2.461 12 H TRP 435 HN TRP 435 -7.260 3.239 3.687 13 HA TRP 435 HA TRP 435 -4.885 3.300 1.978 14 HB2 TRP 435 HB2 TRP 435 -5.281 2.223 4.781 15 HB3 TRP 435 HB1 TRP 435 -3.753 2.218 3.901 16 HD1 TRP 435 HD1 TRP 435 -5.327 4.152 6.488 17 HE1 TRP 435 HE1 TRP 435 -4.454 6.583 6.554 18 HE3 TRP 435 HE3 TRP 435 -3.064 4.336 1.921 19 HZ2 TRP 435 HZ2 TRP 435 -3.006 8.330 4.894 20 HZ3 TRP 435 HZ3 TRP 435 -1.969 6.419 1.230 21 HH2 TRP 435 HH2 TRP 435 -1.943 8.376 2.680 22 H THR 436 HN THR 436 -4.502 1.702 0.607 23 HA THR 436 HA THR 436 -6.031 -0.773 0.850 24 HB THR 436 HB THR 436 -4.278 0.235 -1.400 25 HG1 THR 436 HG1 THR 436 -6.993 0.471 -0.774 26 HG21 THR 436 HG21 THR 436 -4.348 -2.220 -1.340 27 HG22 THR 436 HG22 THR 436 -5.248 -1.594 -2.722 28 HG23 THR 436 HG23 THR 436 -6.113 -2.172 -1.299 29 H GLU 437 HN GLU 437 -5.105 -2.303 2.076 30 HA GLU 437 HA GLU 437 -2.222 -2.682 2.007 31 HB2 GLU 437 HB2 GLU 437 -2.791 -4.615 3.583 32 HB3 GLU 437 HB1 GLU 437 -3.124 -2.996 4.183 33 HG2 GLU 437 HG2 GLU 437 -5.469 -3.250 3.730 34 HG3 GLU 437 HG1 GLU 437 -5.190 -4.797 2.934 35 H ARG 438 HN ARG 438 -1.426 -3.727 0.240 36 HA ARG 438 HA ARG 438 -3.340 -5.441 -1.166 37 HB2 ARG 438 HB2 ARG 438 -1.776 -3.456 -2.186 38 HB3 ARG 438 HB1 ARG 438 -0.751 -4.863 -2.454 39 HG2 ARG 438 HG2 ARG 438 -2.577 -5.997 -3.618 40 HG3 ARG 438 HG1 ARG 438 -3.602 -4.582 -3.380 41 HD2 ARG 438 HD2 ARG 438 -2.082 -3.239 -4.713 42 HD3 ARG 438 HD1 ARG 438 -1.007 -4.622 -4.913 43 HE ARG 438 HE ARG 438 -3.711 -5.075 -5.816 44 HH11 ARG 438 HH11 ARG 438 -0.487 -4.024 -6.702 45 HH12 ARG 438 HH12 ARG 438 -0.764 -4.201 -8.410 46 HH21 ARG 438 HH21 ARG 438 -4.058 -5.340 -8.062 47 HH22 ARG 438 HH22 ARG 438 -2.780 -4.951 -9.173 48 H LYS 439 HN LYS 439 -3.234 -7.492 -0.719 49 HA LYS 439 HA LYS 439 -0.736 -8.622 0.218 50 HB2 LYS 439 HB2 LYS 439 -2.134 -10.699 0.589 51 HB3 LYS 439 HB1 LYS 439 -2.532 -9.303 1.574 52 HG2 LYS 439 HG2 LYS 439 -4.044 -9.929 -0.942 53 HG3 LYS 439 HG1 LYS 439 -4.444 -10.688 0.598 54 HD2 LYS 439 HD2 LYS 439 -4.445 -7.729 -0.008 55 HD3 LYS 439 HD1 LYS 439 -5.859 -8.755 0.237 56 HE2 LYS 439 HE2 LYS 439 -3.743 -8.103 2.283 57 HE3 LYS 439 HE1 LYS 439 -5.379 -7.451 2.233 58 HZ1 LYS 439 HZ1 LYS 439 -4.719 -10.326 2.576 59 HZ2 LYS 439 HZ2 LYS 439 -6.263 -9.630 2.645 60 HZ3 LYS 439 HZ3 LYS 439 -5.117 -9.267 3.839 61 H THR 440 HN THR 440 0.567 -8.860 -1.424 62 HA THR 440 HA THR 440 -0.335 -10.082 -3.904 63 HB THR 440 HB THR 440 2.431 -9.117 -3.134 64 HG1 THR 440 HG1 THR 440 0.548 -7.556 -3.215 65 HG21 THR 440 HG21 THR 440 1.191 -9.715 -5.829 66 HG22 THR 440 HG22 THR 440 2.458 -10.650 -5.034 67 HG23 THR 440 HG23 THR 440 2.785 -9.004 -5.576 68 H ALA 441 HN ALA 441 0.137 -12.125 -4.531 69 HA ALA 441 HA ALA 441 0.669 -14.050 -2.531 70 HB1 ALA 441 HB1 ALA 441 -0.792 -14.444 -4.469 71 HB2 ALA 441 HB2 ALA 441 0.451 -15.683 -4.306 72 HB3 ALA 441 HB3 ALA 441 0.622 -14.418 -5.522 73 H ASP 442 HN ASP 442 2.807 -12.087 -4.002 74 HA ASP 442 HA ASP 442 5.010 -13.908 -4.317 75 HB2 ASP 442 HB2 ASP 442 4.959 -11.935 -5.697 76 HB3 ASP 442 HB1 ASP 442 4.800 -10.891 -4.291 77 H GLY 443 HN GLY 443 3.405 -12.615 -1.715 78 HA2 GLY 443 HA2 GLY 443 3.891 -13.072 0.527 79 HA3 GLY 443 HA1 GLY 443 5.563 -13.383 0.081 80 H LYS 444 HN LYS 444 3.655 -10.519 -0.712 81 HA LYS 444 HA LYS 444 4.932 -9.006 1.394 82 HB2 LYS 444 HB2 LYS 444 5.769 -7.245 -0.139 83 HB3 LYS 444 HB1 LYS 444 6.627 -8.768 -0.293 84 HG2 LYS 444 HG2 LYS 444 5.663 -9.232 -2.369 85 HG3 LYS 444 HG1 LYS 444 4.386 -8.031 -2.146 86 HD2 LYS 444 HD2 LYS 444 6.052 -6.241 -2.243 87 HD3 LYS 444 HD1 LYS 444 7.331 -7.438 -2.452 88 HE2 LYS 444 HE2 LYS 444 5.055 -7.476 -4.362 89 HE3 LYS 444 HE1 LYS 444 6.233 -6.173 -4.506 90 HZ1 LYS 444 HZ1 LYS 444 6.793 -8.081 -5.894 91 HZ2 LYS 444 HZ2 LYS 444 6.902 -9.075 -4.516 92 HZ3 LYS 444 HZ3 LYS 444 7.986 -7.788 -4.724 93 H THR 445 HN THR 445 3.625 -7.566 2.203 94 HA THR 445 HA THR 445 1.195 -6.806 0.721 95 HB THR 445 HB THR 445 1.693 -6.280 3.649 96 HG1 THR 445 HG1 THR 445 1.083 -8.711 2.367 97 HG21 THR 445 HG21 THR 445 -0.819 -6.701 2.022 98 HG22 THR 445 HG22 THR 445 -0.218 -5.162 2.636 99 HG23 THR 445 HG23 THR 445 -0.768 -6.405 3.760 100 H TYR 446 HN TYR 446 0.684 -4.549 0.470 101 HA TYR 446 HA TYR 446 2.579 -2.643 1.547 102 HB2 TYR 446 HB2 TYR 446 2.938 -1.620 -0.759 103 HB3 TYR 446 HB1 TYR 446 3.833 -3.079 -0.377 104 HD1 TYR 446 HD1 TYR 446 0.799 -1.875 -2.207 105 HD2 TYR 446 HD2 TYR 446 3.750 -4.916 -1.784 106 HE1 TYR 446 HE1 TYR 446 0.070 -2.875 -4.324 107 HE2 TYR 446 HE2 TYR 446 3.008 -5.941 -3.888 108 HH TYR 446 HH TYR 446 1.059 -6.002 -5.320 109 H TYR 447 HN TYR 447 1.878 -0.518 1.525 110 HA TYR 447 HA TYR 447 -1.020 -0.325 1.355 111 HB2 TYR 447 HB2 TYR 447 0.918 1.753 2.395 112 HB3 TYR 447 HB1 TYR 447 -0.819 1.674 2.674 113 HD1 TYR 447 HD1 TYR 447 -1.525 -0.775 3.695 114 HD2 TYR 447 HD2 TYR 447 2.211 1.204 4.200 115 HE1 TYR 447 HE1 TYR 447 -1.134 -2.057 5.758 116 HE2 TYR 447 HE2 TYR 447 2.615 -0.080 6.261 117 HH TYR 447 HH TYR 447 0.617 -2.753 7.194 118 H TYR 448 HN TYR 448 -1.760 0.185 -0.579 119 HA TYR 448 HA TYR 448 -0.289 1.994 -2.306 120 HB2 TYR 448 HB2 TYR 448 -1.540 -0.122 -3.069 121 HB3 TYR 448 HB1 TYR 448 -3.017 0.805 -2.828 122 HD1 TYR 448 HD1 TYR 448 -3.496 2.763 -4.268 123 HD2 TYR 448 HD2 TYR 448 -0.123 0.264 -4.940 124 HE1 TYR 448 HE1 TYR 448 -3.271 3.688 -6.536 125 HE2 TYR 448 HE2 TYR 448 0.115 1.183 -7.209 126 HH TYR 448 HH TYR 448 -1.233 2.290 -8.895 127 H ASN 449 HN ASN 449 -0.611 4.096 -2.296 128 HA ASN 449 HA ASN 449 -2.725 5.191 -0.626 129 HB2 ASN 449 HB2 ASN 449 -0.312 5.916 -0.450 130 HB3 ASN 449 HB1 ASN 449 -0.478 6.647 -2.041 131 HD21 ASN 449 HD21 ASN 449 0.118 7.839 0.574 132 HD22 ASN 449 HD22 ASN 449 -1.107 9.030 0.852 133 H ASN 450 HN ASN 450 -4.592 5.590 -1.541 134 HA ASN 450 HA ASN 450 -4.869 5.917 -4.386 135 HB2 ASN 450 HB2 ASN 450 -6.513 4.607 -3.177 136 HB3 ASN 450 HB1 ASN 450 -6.885 5.967 -2.128 137 HD21 ASN 450 HD21 ASN 450 -8.224 7.587 -2.858 138 HD22 ASN 450 HD22 ASN 450 -9.135 7.456 -4.324 139 H ARG 451 HN ARG 451 -4.431 8.009 -1.729 140 HA ARG 451 HA ARG 451 -5.871 10.216 -2.957 141 HB2 ARG 451 HB2 ARG 451 -6.011 9.849 -0.522 142 HB3 ARG 451 HB1 ARG 451 -4.284 10.144 -0.389 143 HG2 ARG 451 HG2 ARG 451 -5.534 12.105 0.279 144 HG3 ARG 451 HG1 ARG 451 -4.620 12.438 -1.191 145 HD2 ARG 451 HD2 ARG 451 -7.495 11.573 -1.285 146 HD3 ARG 451 HD1 ARG 451 -7.053 13.262 -1.053 147 HE ARG 451 HE ARG 451 -5.652 12.557 -3.265 148 HH11 ARG 451 HH11 ARG 451 -9.029 12.182 -2.391 149 HH12 ARG 451 HH12 ARG 451 -9.607 12.418 -4.013 150 HH21 ARG 451 HH21 ARG 451 -6.398 12.846 -5.396 151 HH22 ARG 451 HH22 ARG 451 -8.110 12.761 -5.733 152 H THR 452 HN THR 452 -2.624 9.055 -2.639 153 HA THR 452 HA THR 452 -1.664 11.527 -3.927 154 HB THR 452 HB THR 452 0.153 9.675 -2.409 155 HG1 THR 452 HG1 THR 452 -0.234 11.205 -0.621 156 HG21 THR 452 HG21 THR 452 1.465 11.722 -2.119 157 HG22 THR 452 HG22 THR 452 0.223 12.644 -2.967 158 HG23 THR 452 HG23 THR 452 1.149 11.415 -3.827 159 H ALA 453 HN ALA 453 -2.367 8.354 -4.525 160 HA ALA 453 HA ALA 453 -1.888 6.869 -6.179 161 HB1 ALA 453 HB1 ALA 453 -2.420 8.797 -7.597 162 HB2 ALA 453 HB2 ALA 453 -1.192 7.766 -8.332 163 HB3 ALA 453 HB3 ALA 453 -0.724 9.283 -7.564 164 H GLU 454 HN GLU 454 -0.112 6.746 -4.135 165 HA GLU 454 HA GLU 454 2.438 6.186 -5.483 166 HB2 GLU 454 HB2 GLU 454 3.633 6.989 -3.456 167 HB3 GLU 454 HB1 GLU 454 2.774 8.268 -4.304 168 HG2 GLU 454 HG2 GLU 454 1.048 8.306 -2.674 169 HG3 GLU 454 HG1 GLU 454 1.650 6.837 -1.909 170 H SER 455 HN SER 455 3.624 4.439 -4.623 171 HA SER 455 HA SER 455 2.039 2.632 -2.976 172 HB2 SER 455 HB2 SER 455 3.905 0.995 -3.559 173 HB3 SER 455 HB1 SER 455 2.918 1.560 -4.906 174 HG SER 455 HG SER 455 5.344 2.839 -4.194 175 H THR 456 HN THR 456 2.235 2.917 -0.869 176 HA THR 456 HA THR 456 4.748 3.874 0.270 177 HB THR 456 HB THR 456 2.132 3.394 1.707 178 HG1 THR 456 HG1 THR 456 3.056 5.691 0.282 179 HG21 THR 456 HG21 THR 456 3.001 5.023 3.291 180 HG22 THR 456 HG22 THR 456 4.452 5.231 2.309 181 HG23 THR 456 HG23 THR 456 4.141 3.690 3.108 182 H TRP 457 HN TRP 457 6.139 2.535 1.241 183 HA TRP 457 HA TRP 457 5.220 -0.195 1.859 184 HB2 TRP 457 HB2 TRP 457 7.997 0.781 1.135 185 HB3 TRP 457 HB1 TRP 457 7.561 -0.890 1.487 186 HD1 TRP 457 HD1 TRP 457 6.798 1.857 -1.130 187 HE1 TRP 457 HE1 TRP 457 6.133 0.710 -3.333 188 HE3 TRP 457 HE3 TRP 457 6.870 -3.008 0.437 189 HZ2 TRP 457 HZ2 TRP 457 5.692 -1.903 -4.278 190 HZ3 TRP 457 HZ3 TRP 457 6.325 -4.776 -1.185 191 HH2 TRP 457 HH2 TRP 457 5.756 -4.235 -3.498 192 H GLU 458 HN GLU 458 6.088 2.665 3.238 193 HA GLU 458 HA GLU 458 7.101 1.428 5.703 194 HB2 GLU 458 HB2 GLU 458 8.406 3.312 4.657 195 HB3 GLU 458 HB1 GLU 458 7.021 4.359 4.934 196 HG2 GLU 458 HG2 GLU 458 8.763 4.632 6.631 197 HG3 GLU 458 HG1 GLU 458 7.238 4.082 7.323 198 H LYS 459 HN LYS 459 6.055 1.912 7.695 199 HA LYS 459 HA LYS 459 3.240 1.990 7.584 200 HB2 LYS 459 HB2 LYS 459 4.311 0.887 9.410 201 HB3 LYS 459 HB1 LYS 459 5.177 2.348 9.864 202 HG2 LYS 459 HG2 LYS 459 3.338 1.836 11.394 203 HG3 LYS 459 HG1 LYS 459 3.120 3.387 10.589 204 HD2 LYS 459 HD2 LYS 459 1.019 2.170 10.692 205 HD3 LYS 459 HD1 LYS 459 1.552 2.352 9.022 206 HE2 LYS 459 HE2 LYS 459 2.399 0.066 9.033 207 HE3 LYS 459 HE1 LYS 459 1.901 -0.120 10.715 208 HZ1 LYS 459 HZ1 LYS 459 0.325 -1.053 9.030 209 HZ2 LYS 459 HZ2 LYS 459 0.011 0.531 8.525 210 HZ3 LYS 459 HZ3 LYS 459 -0.371 0.063 10.102 211 HA PRO 460 HA PRO 460 2.843 6.475 7.021 212 HB2 PRO 460 HB2 PRO 460 -0.025 5.834 7.271 213 HB3 PRO 460 HB1 PRO 460 0.836 6.656 5.966 214 HG2 PRO 460 HG2 PRO 460 -0.117 4.164 5.698 215 HG3 PRO 460 HG1 PRO 460 1.379 4.692 4.909 216 HD2 PRO 460 HD2 PRO 460 1.013 2.996 7.342 217 HD3 PRO 460 HD1 PRO 460 2.226 2.890 6.047 Start of MODEL 15 1 H SER 433 HT1 SER 433 -12.545 2.332 3.072 2 HA SER 433 HA SER 433 -10.325 2.779 3.756 3 HB2 SER 433 HB2 SER 433 -10.304 0.822 1.450 4 HB3 SER 433 HB1 SER 433 -9.281 0.784 2.886 5 HG SER 433 HG SER 433 -11.268 -0.623 2.775 6 H GLU 434 HN GLU 434 -8.914 4.352 3.441 7 HA GLU 434 HA GLU 434 -8.160 5.173 0.748 8 HB2 GLU 434 HB2 GLU 434 -8.621 6.953 2.307 9 HB3 GLU 434 HB1 GLU 434 -7.528 6.261 3.495 10 HG2 GLU 434 HG2 GLU 434 -6.535 8.199 2.463 11 HG3 GLU 434 HG1 GLU 434 -5.634 6.746 2.039 12 H TRP 435 HN TRP 435 -6.869 3.607 3.596 13 HA TRP 435 HA TRP 435 -4.276 3.271 2.301 14 HB2 TRP 435 HB2 TRP 435 -5.143 2.402 5.070 15 HB3 TRP 435 HB1 TRP 435 -3.496 2.416 4.444 16 HD1 TRP 435 HD1 TRP 435 -4.919 4.155 6.971 17 HE1 TRP 435 HE1 TRP 435 -4.390 6.673 7.047 18 HE3 TRP 435 HE3 TRP 435 -3.362 4.793 2.154 19 HZ2 TRP 435 HZ2 TRP 435 -3.449 8.673 5.280 20 HZ3 TRP 435 HZ3 TRP 435 -2.663 7.023 1.426 21 HH2 TRP 435 HH2 TRP 435 -2.710 8.929 2.948 22 H THR 436 HN THR 436 -4.392 1.748 0.798 23 HA THR 436 HA THR 436 -5.932 -0.681 1.253 24 HB THR 436 HB THR 436 -4.282 0.174 -1.136 25 HG1 THR 436 HG1 THR 436 -6.004 1.536 -1.027 26 HG21 THR 436 HG21 THR 436 -5.488 -1.592 -2.344 27 HG22 THR 436 HG22 THR 436 -6.285 -2.073 -0.847 28 HG23 THR 436 HG23 THR 436 -4.536 -2.261 -1.015 29 H GLU 437 HN GLU 437 -5.013 -2.418 2.175 30 HA GLU 437 HA GLU 437 -2.123 -2.683 2.074 31 HB2 GLU 437 HB2 GLU 437 -2.809 -4.887 3.406 32 HB3 GLU 437 HB1 GLU 437 -2.656 -3.327 4.195 33 HG2 GLU 437 HG2 GLU 437 -4.638 -4.268 5.021 34 HG3 GLU 437 HG1 GLU 437 -5.148 -3.056 3.849 35 H ARG 438 HN ARG 438 -1.419 -3.358 0.170 36 HA ARG 438 HA ARG 438 -3.128 -5.153 -1.363 37 HB2 ARG 438 HB2 ARG 438 -0.768 -3.429 -2.104 38 HB3 ARG 438 HB1 ARG 438 -1.361 -4.694 -3.183 39 HG2 ARG 438 HG2 ARG 438 -3.558 -3.649 -3.225 40 HG3 ARG 438 HG1 ARG 438 -2.990 -2.398 -2.121 41 HD2 ARG 438 HD2 ARG 438 -3.027 -1.630 -4.446 42 HD3 ARG 438 HD1 ARG 438 -1.399 -1.625 -3.774 43 HE ARG 438 HE ARG 438 -1.209 -3.875 -4.982 44 HH11 ARG 438 HH11 ARG 438 -3.160 -1.193 -6.123 45 HH12 ARG 438 HH12 ARG 438 -2.966 -1.607 -7.803 46 HH21 ARG 438 HH21 ARG 438 -0.944 -4.407 -7.184 47 HH22 ARG 438 HH22 ARG 438 -1.710 -3.441 -8.405 48 H LYS 439 HN LYS 439 -2.897 -7.105 -0.518 49 HA LYS 439 HA LYS 439 -0.252 -8.163 -0.013 50 HB2 LYS 439 HB2 LYS 439 -1.471 -10.166 0.861 51 HB3 LYS 439 HB1 LYS 439 -1.801 -8.671 1.716 52 HG2 LYS 439 HG2 LYS 439 -3.627 -9.699 -0.429 53 HG3 LYS 439 HG1 LYS 439 -3.750 -10.241 1.245 54 HD2 LYS 439 HD2 LYS 439 -4.010 -7.874 1.939 55 HD3 LYS 439 HD1 LYS 439 -4.004 -7.408 0.238 56 HE2 LYS 439 HE2 LYS 439 -5.993 -8.773 -0.146 57 HE3 LYS 439 HE1 LYS 439 -6.001 -9.246 1.552 58 HZ1 LYS 439 HZ1 LYS 439 -7.528 -7.512 1.409 59 HZ2 LYS 439 HZ2 LYS 439 -6.553 -6.590 0.381 60 HZ3 LYS 439 HZ3 LYS 439 -6.134 -6.760 2.016 61 H THR 440 HN THR 440 0.719 -8.573 -1.820 62 HA THR 440 HA THR 440 -0.568 -10.102 -3.927 63 HB THR 440 HB THR 440 1.651 -9.891 -5.072 64 HG1 THR 440 HG1 THR 440 2.270 -8.296 -2.781 65 HG21 THR 440 HG21 THR 440 0.427 -7.308 -4.097 66 HG22 THR 440 HG22 THR 440 -0.117 -8.256 -5.482 67 HG23 THR 440 HG23 THR 440 1.469 -7.484 -5.509 68 H ALA 441 HN ALA 441 0.175 -12.135 -4.668 69 HA ALA 441 HA ALA 441 0.733 -13.983 -2.596 70 HB1 ALA 441 HB1 ALA 441 -0.586 -14.558 -4.579 71 HB2 ALA 441 HB2 ALA 441 0.766 -15.665 -4.349 72 HB3 ALA 441 HB3 ALA 441 0.858 -14.404 -5.579 73 H ASP 442 HN ASP 442 2.756 -11.956 -4.321 74 HA ASP 442 HA ASP 442 5.148 -13.458 -4.394 75 HB2 ASP 442 HB2 ASP 442 4.812 -11.303 -5.584 76 HB3 ASP 442 HB1 ASP 442 4.788 -10.473 -4.034 77 H GLY 443 HN GLY 443 3.282 -12.316 -1.834 78 HA2 GLY 443 HA2 GLY 443 3.627 -12.881 0.416 79 HA3 GLY 443 HA1 GLY 443 5.330 -13.146 0.066 80 H LYS 444 HN LYS 444 3.441 -10.302 -0.767 81 HA LYS 444 HA LYS 444 4.707 -8.761 1.338 82 HB2 LYS 444 HB2 LYS 444 5.503 -7.054 -0.373 83 HB3 LYS 444 HB1 LYS 444 6.436 -8.536 -0.245 84 HG2 LYS 444 HG2 LYS 444 6.053 -9.075 -2.367 85 HG3 LYS 444 HG1 LYS 444 4.327 -8.736 -2.225 86 HD2 LYS 444 HD2 LYS 444 4.701 -6.389 -2.586 87 HD3 LYS 444 HD1 LYS 444 6.448 -6.619 -2.546 88 HE2 LYS 444 HE2 LYS 444 4.704 -7.989 -4.567 89 HE3 LYS 444 HE1 LYS 444 5.356 -6.373 -4.835 90 HZ1 LYS 444 HZ1 LYS 444 6.975 -8.811 -4.294 91 HZ2 LYS 444 HZ2 LYS 444 7.581 -7.250 -4.585 92 HZ3 LYS 444 HZ3 LYS 444 6.761 -8.080 -5.811 93 H THR 445 HN THR 445 3.231 -7.497 2.161 94 HA THR 445 HA THR 445 1.094 -6.459 0.448 95 HB THR 445 HB THR 445 0.416 -7.684 2.544 96 HG1 THR 445 HG1 THR 445 -1.254 -6.321 2.839 97 HG21 THR 445 HG21 THR 445 0.625 -6.524 4.690 98 HG22 THR 445 HG22 THR 445 1.600 -5.271 3.923 99 HG23 THR 445 HG23 THR 445 2.210 -6.924 4.026 100 H TYR 446 HN TYR 446 0.653 -4.234 0.416 101 HA TYR 446 HA TYR 446 2.538 -2.450 1.705 102 HB2 TYR 446 HB2 TYR 446 3.023 -1.336 -0.533 103 HB3 TYR 446 HB1 TYR 446 3.841 -2.858 -0.216 104 HD1 TYR 446 HD1 TYR 446 1.253 -1.195 -2.232 105 HD2 TYR 446 HD2 TYR 446 3.347 -4.829 -1.533 106 HE1 TYR 446 HE1 TYR 446 0.495 -2.039 -4.402 107 HE2 TYR 446 HE2 TYR 446 2.574 -5.695 -3.702 108 HH TYR 446 HH TYR 446 1.389 -3.813 -6.105 109 H TYR 447 HN TYR 447 1.788 -0.329 1.841 110 HA TYR 447 HA TYR 447 -1.108 -0.264 1.586 111 HB2 TYR 447 HB2 TYR 447 0.549 1.879 2.910 112 HB3 TYR 447 HB1 TYR 447 -1.126 1.427 3.218 113 HD1 TYR 447 HD1 TYR 447 -0.922 -1.498 3.512 114 HD2 TYR 447 HD2 TYR 447 1.622 1.584 4.973 115 HE1 TYR 447 HE1 TYR 447 -0.190 -2.979 5.332 116 HE2 TYR 447 HE2 TYR 447 2.359 0.111 6.799 117 HH TYR 447 HH TYR 447 1.288 -1.963 8.049 118 H TYR 448 HN TYR 448 -1.682 0.281 -0.388 119 HA TYR 448 HA TYR 448 -0.230 2.334 -1.838 120 HB2 TYR 448 HB2 TYR 448 -1.219 0.068 -2.757 121 HB3 TYR 448 HB1 TYR 448 -2.703 1.007 -2.889 122 HD1 TYR 448 HD1 TYR 448 -2.861 2.862 -4.469 123 HD2 TYR 448 HD2 TYR 448 0.666 0.509 -4.186 124 HE1 TYR 448 HE1 TYR 448 -2.085 3.778 -6.614 125 HE2 TYR 448 HE2 TYR 448 1.456 1.417 -6.327 126 HH TYR 448 HH TYR 448 0.148 4.138 -7.754 127 H ASN 449 HN ASN 449 -0.818 4.351 -1.945 128 HA ASN 449 HA ASN 449 -3.235 5.231 -0.577 129 HB2 ASN 449 HB2 ASN 449 -1.004 6.864 -1.829 130 HB3 ASN 449 HB1 ASN 449 -2.276 7.479 -0.786 131 HD21 ASN 449 HD21 ASN 449 -0.745 8.323 0.616 132 HD22 ASN 449 HD22 ASN 449 0.149 7.325 1.707 133 H ASN 450 HN ASN 450 -5.069 5.543 -1.731 134 HA ASN 450 HA ASN 450 -4.880 5.732 -4.615 135 HB2 ASN 450 HB2 ASN 450 -7.375 5.746 -4.571 136 HB3 ASN 450 HB1 ASN 450 -6.658 4.347 -3.783 137 HD21 ASN 450 HD21 ASN 450 -8.290 7.387 -3.269 138 HD22 ASN 450 HD22 ASN 450 -8.778 7.076 -1.643 139 H ARG 451 HN ARG 451 -5.011 7.895 -1.999 140 HA ARG 451 HA ARG 451 -6.153 10.156 -3.145 141 HB2 ARG 451 HB2 ARG 451 -3.977 9.741 -1.143 142 HB3 ARG 451 HB1 ARG 451 -4.246 11.359 -1.777 143 HG2 ARG 451 HG2 ARG 451 -6.525 11.328 -0.987 144 HG3 ARG 451 HG1 ARG 451 -6.337 9.662 -0.437 145 HD2 ARG 451 HD2 ARG 451 -6.137 11.264 1.407 146 HD3 ARG 451 HD1 ARG 451 -4.650 10.351 1.161 147 HE ARG 451 HE ARG 451 -4.475 12.738 -0.300 148 HH11 ARG 451 HH11 ARG 451 -4.600 11.712 3.049 149 HH12 ARG 451 HH12 ARG 451 -3.624 13.030 3.618 150 HH21 ARG 451 HH21 ARG 451 -3.219 14.472 0.451 151 HH22 ARG 451 HH22 ARG 451 -2.848 14.598 2.148 152 H THR 452 HN THR 452 -2.715 9.223 -3.229 153 HA THR 452 HA THR 452 -2.365 11.086 -5.477 154 HB THR 452 HB THR 452 0.130 10.837 -4.727 155 HG1 THR 452 HG1 THR 452 0.415 10.163 -2.656 156 HG21 THR 452 HG21 THR 452 -1.891 12.378 -3.086 157 HG22 THR 452 HG22 THR 452 -1.159 12.917 -4.599 158 HG23 THR 452 HG23 THR 452 -0.160 12.710 -3.160 159 H ALA 453 HN ALA 453 -2.672 7.882 -4.854 160 HA ALA 453 HA ALA 453 -2.327 5.994 -6.054 161 HB1 ALA 453 HB1 ALA 453 -1.738 6.142 -8.412 162 HB2 ALA 453 HB2 ALA 453 -1.293 7.837 -8.207 163 HB3 ALA 453 HB3 ALA 453 -2.970 7.334 -7.997 164 H GLU 454 HN GLU 454 -0.368 6.867 -4.211 165 HA GLU 454 HA GLU 454 2.148 5.966 -5.453 166 HB2 GLU 454 HB2 GLU 454 3.310 7.109 -3.624 167 HB3 GLU 454 HB1 GLU 454 2.266 8.225 -4.493 168 HG2 GLU 454 HG2 GLU 454 0.590 8.047 -2.739 169 HG3 GLU 454 HG1 GLU 454 1.608 6.902 -1.869 170 H SER 455 HN SER 455 3.397 4.375 -4.393 171 HA SER 455 HA SER 455 1.834 2.659 -2.614 172 HB2 SER 455 HB2 SER 455 2.931 1.681 -4.630 173 HB3 SER 455 HB1 SER 455 4.498 2.106 -3.941 174 HG SER 455 HG SER 455 4.337 0.510 -2.540 175 H THR 456 HN THR 456 2.111 2.733 -0.503 176 HA THR 456 HA THR 456 4.574 3.894 0.585 177 HB THR 456 HB THR 456 1.949 3.379 2.005 178 HG1 THR 456 HG1 THR 456 1.322 5.063 0.868 179 HG21 THR 456 HG21 THR 456 3.872 3.539 3.506 180 HG22 THR 456 HG22 THR 456 2.829 4.951 3.672 181 HG23 THR 456 HG23 THR 456 4.336 5.068 2.764 182 H TRP 457 HN TRP 457 6.061 2.516 1.264 183 HA TRP 457 HA TRP 457 5.261 -0.190 2.090 184 HB2 TRP 457 HB2 TRP 457 7.964 0.898 1.250 185 HB3 TRP 457 HB1 TRP 457 7.642 -0.773 1.708 186 HD1 TRP 457 HD1 TRP 457 6.850 1.758 -1.096 187 HE1 TRP 457 HE1 TRP 457 6.196 0.436 -3.217 188 HE3 TRP 457 HE3 TRP 457 6.808 -2.967 0.871 189 HZ2 TRP 457 HZ2 TRP 457 5.704 -2.239 -3.933 190 HZ3 TRP 457 HZ3 TRP 457 6.241 -4.851 -0.605 191 HH2 TRP 457 HH2 TRP 457 5.704 -4.493 -2.959 192 H GLU 458 HN GLU 458 6.055 2.755 3.307 193 HA GLU 458 HA GLU 458 7.466 1.821 5.668 194 HB2 GLU 458 HB2 GLU 458 8.071 3.949 4.534 195 HB3 GLU 458 HB1 GLU 458 6.478 4.581 4.925 196 HG2 GLU 458 HG2 GLU 458 6.956 4.581 7.247 197 HG3 GLU 458 HG1 GLU 458 8.449 3.673 7.002 198 H LYS 459 HN LYS 459 6.480 1.364 7.553 199 HA LYS 459 HA LYS 459 3.617 1.388 7.676 200 HB2 LYS 459 HB2 LYS 459 5.712 0.585 9.697 201 HB3 LYS 459 HB1 LYS 459 3.983 0.438 9.974 202 HG2 LYS 459 HG2 LYS 459 3.790 -1.103 8.103 203 HG3 LYS 459 HG1 LYS 459 5.512 -0.921 7.761 204 HD2 LYS 459 HD2 LYS 459 6.063 -1.880 9.925 205 HD3 LYS 459 HD1 LYS 459 4.348 -2.006 10.329 206 HE2 LYS 459 HE2 LYS 459 5.696 -3.411 8.022 207 HE3 LYS 459 HE1 LYS 459 5.333 -4.150 9.582 208 HZ1 LYS 459 HZ1 LYS 459 3.361 -3.088 7.628 209 HZ2 LYS 459 HZ2 LYS 459 2.966 -3.665 9.167 210 HZ3 LYS 459 HZ3 LYS 459 3.625 -4.719 8.012 211 HA PRO 460 HA PRO 460 3.521 5.470 9.484 212 HB2 PRO 460 HB2 PRO 460 0.860 5.813 9.286 213 HB3 PRO 460 HB1 PRO 460 1.921 5.908 7.877 214 HG2 PRO 460 HG2 PRO 460 0.165 3.669 8.781 215 HG3 PRO 460 HG1 PRO 460 0.475 4.260 7.139 216 HD2 PRO 460 HD2 PRO 460 1.674 2.048 8.256 217 HD3 PRO 460 HD1 PRO 460 2.356 2.994 6.920 Start of MODEL 16 1 H SER 433 HT1 SER 433 -11.058 4.313 5.485 2 HA SER 433 HA SER 433 -9.750 2.605 4.324 3 HB2 SER 433 HB2 SER 433 -11.366 2.608 2.274 4 HB3 SER 433 HB1 SER 433 -12.055 2.499 3.894 5 HG SER 433 HG SER 433 -12.284 4.485 2.009 6 H GLU 434 HN GLU 434 -8.249 5.139 4.008 7 HA GLU 434 HA GLU 434 -8.014 5.650 1.187 8 HB2 GLU 434 HB2 GLU 434 -6.009 6.699 3.124 9 HB3 GLU 434 HB1 GLU 434 -6.780 7.503 1.766 10 HG2 GLU 434 HG2 GLU 434 -7.989 6.940 4.463 11 HG3 GLU 434 HG1 GLU 434 -7.497 8.507 3.826 12 H TRP 435 HN TRP 435 -6.712 3.350 3.226 13 HA TRP 435 HA TRP 435 -4.264 3.117 1.610 14 HB2 TRP 435 HB2 TRP 435 -4.399 2.111 4.440 15 HB3 TRP 435 HB1 TRP 435 -2.990 2.598 3.501 16 HD1 TRP 435 HD1 TRP 435 -5.308 3.852 6.103 17 HE1 TRP 435 HE1 TRP 435 -4.975 6.374 6.499 18 HE3 TRP 435 HE3 TRP 435 -2.365 4.919 2.065 19 HZ2 TRP 435 HZ2 TRP 435 -3.651 8.536 5.245 20 HZ3 TRP 435 HZ3 TRP 435 -1.616 7.237 1.730 21 HH2 TRP 435 HH2 TRP 435 -2.256 9.011 3.272 22 H THR 436 HN THR 436 -4.584 1.464 0.261 23 HA THR 436 HA THR 436 -6.100 -0.869 1.123 24 HB THR 436 HB THR 436 -4.865 -0.103 -1.528 25 HG1 THR 436 HG1 THR 436 -7.294 0.222 -0.362 26 HG21 THR 436 HG21 THR 436 -5.836 -2.154 -2.472 27 HG22 THR 436 HG22 THR 436 -6.346 -2.662 -0.863 28 HG23 THR 436 HG23 THR 436 -4.626 -2.537 -1.243 29 H GLU 437 HN GLU 437 -5.171 -2.649 1.904 30 HA GLU 437 HA GLU 437 -2.287 -2.941 1.722 31 HB2 GLU 437 HB2 GLU 437 -2.648 -4.923 3.202 32 HB3 GLU 437 HB1 GLU 437 -3.243 -3.419 3.888 33 HG2 GLU 437 HG2 GLU 437 -5.511 -4.011 3.324 34 HG3 GLU 437 HG1 GLU 437 -4.958 -5.470 2.506 35 H ARG 438 HN ARG 438 -1.540 -3.754 -0.129 36 HA ARG 438 HA ARG 438 -3.289 -5.596 -1.586 37 HB2 ARG 438 HB2 ARG 438 -0.850 -4.058 -2.522 38 HB3 ARG 438 HB1 ARG 438 -1.784 -5.174 -3.522 39 HG2 ARG 438 HG2 ARG 438 -3.788 -3.640 -2.853 40 HG3 ARG 438 HG1 ARG 438 -2.514 -2.470 -2.500 41 HD2 ARG 438 HD2 ARG 438 -3.218 -2.104 -4.748 42 HD3 ARG 438 HD1 ARG 438 -1.629 -2.870 -4.809 43 HE ARG 438 HE ARG 438 -3.833 -4.727 -4.950 44 HH11 ARG 438 HH11 ARG 438 -1.708 -2.648 -6.823 45 HH12 ARG 438 HH12 ARG 438 -1.953 -3.531 -8.297 46 HH21 ARG 438 HH21 ARG 438 -4.157 -5.864 -6.911 47 HH22 ARG 438 HH22 ARG 438 -3.324 -5.340 -8.349 48 H LYS 439 HN LYS 439 -2.992 -7.558 -0.820 49 HA LYS 439 HA LYS 439 -0.333 -8.386 -0.025 50 HB2 LYS 439 HB2 LYS 439 -2.247 -8.853 1.465 51 HB3 LYS 439 HB1 LYS 439 -2.948 -9.870 0.215 52 HG2 LYS 439 HG2 LYS 439 -1.811 -11.165 1.966 53 HG3 LYS 439 HG1 LYS 439 -1.103 -11.416 0.370 54 HD2 LYS 439 HD2 LYS 439 0.693 -9.852 0.912 55 HD3 LYS 439 HD1 LYS 439 -0.026 -9.563 2.498 56 HE2 LYS 439 HE2 LYS 439 0.881 -12.273 1.542 57 HE3 LYS 439 HE1 LYS 439 1.903 -11.174 2.466 58 HZ1 LYS 439 HZ1 LYS 439 0.426 -11.293 4.306 59 HZ2 LYS 439 HZ2 LYS 439 0.741 -12.888 3.813 60 HZ3 LYS 439 HZ3 LYS 439 -0.736 -12.153 3.418 61 H THR 440 HN THR 440 0.818 -8.779 -1.759 62 HA THR 440 HA THR 440 -0.156 -10.570 -3.829 63 HB THR 440 HB THR 440 2.091 -10.276 -4.842 64 HG1 THR 440 HG1 THR 440 2.527 -8.712 -2.495 65 HG21 THR 440 HG21 THR 440 0.726 -7.707 -4.032 66 HG22 THR 440 HG22 THR 440 0.311 -8.717 -5.417 67 HG23 THR 440 HG23 THR 440 1.865 -7.884 -5.367 68 H ALA 441 HN ALA 441 0.787 -12.579 -4.337 69 HA ALA 441 HA ALA 441 1.196 -14.208 -2.044 70 HB1 ALA 441 HB1 ALA 441 -0.025 -14.987 -4.008 71 HB2 ALA 441 HB2 ALA 441 1.329 -16.053 -3.629 72 HB3 ALA 441 HB3 ALA 441 1.455 -14.908 -4.966 73 H ASP 442 HN ASP 442 3.344 -12.239 -3.515 74 HA ASP 442 HA ASP 442 5.691 -13.883 -3.415 75 HB2 ASP 442 HB2 ASP 442 5.602 -11.903 -4.850 76 HB3 ASP 442 HB1 ASP 442 5.349 -10.873 -3.447 77 H GLY 443 HN GLY 443 3.659 -12.677 -1.103 78 HA2 GLY 443 HA2 GLY 443 3.877 -12.995 1.206 79 HA3 GLY 443 HA1 GLY 443 5.615 -13.177 0.994 80 H LYS 444 HN LYS 444 3.803 -10.531 -0.388 81 HA LYS 444 HA LYS 444 4.707 -8.756 1.737 82 HB2 LYS 444 HB2 LYS 444 5.634 -7.132 0.105 83 HB3 LYS 444 HB1 LYS 444 6.552 -8.626 0.203 84 HG2 LYS 444 HG2 LYS 444 5.924 -9.307 -1.907 85 HG3 LYS 444 HG1 LYS 444 4.463 -8.313 -1.908 86 HD2 LYS 444 HD2 LYS 444 5.792 -6.301 -2.135 87 HD3 LYS 444 HD1 LYS 444 7.282 -7.237 -2.014 88 HE2 LYS 444 HE2 LYS 444 5.260 -7.790 -4.160 89 HE3 LYS 444 HE1 LYS 444 6.471 -6.521 -4.349 90 HZ1 LYS 444 HZ1 LYS 444 7.093 -8.735 -5.292 91 HZ2 LYS 444 HZ2 LYS 444 7.159 -9.338 -3.705 92 HZ3 LYS 444 HZ3 LYS 444 8.209 -8.096 -4.184 93 H THR 445 HN THR 445 3.150 -7.464 2.312 94 HA THR 445 HA THR 445 1.088 -6.725 0.359 95 HB THR 445 HB THR 445 0.265 -7.644 2.514 96 HG1 THR 445 HG1 THR 445 -1.253 -6.011 2.847 97 HG21 THR 445 HG21 THR 445 2.035 -6.890 3.998 98 HG22 THR 445 HG22 THR 445 0.477 -6.288 4.564 99 HG23 THR 445 HG23 THR 445 1.586 -5.210 3.715 100 H TYR 446 HN TYR 446 0.595 -4.519 0.004 101 HA TYR 446 HA TYR 446 2.419 -2.583 1.178 102 HB2 TYR 446 HB2 TYR 446 2.876 -1.580 -1.079 103 HB3 TYR 446 HB1 TYR 446 3.658 -3.121 -0.779 104 HD1 TYR 446 HD1 TYR 446 0.802 -1.539 -2.552 105 HD2 TYR 446 HD2 TYR 446 3.345 -4.936 -2.249 106 HE1 TYR 446 HE1 TYR 446 -0.042 -2.353 -4.704 107 HE2 TYR 446 HE2 TYR 446 2.486 -5.773 -4.397 108 HH TYR 446 HH TYR 446 0.618 -5.521 -5.872 109 H TYR 447 HN TYR 447 1.588 -0.531 1.303 110 HA TYR 447 HA TYR 447 -1.306 -0.535 1.053 111 HB2 TYR 447 HB2 TYR 447 0.426 1.561 2.372 112 HB3 TYR 447 HB1 TYR 447 -1.305 1.309 2.589 113 HD1 TYR 447 HD1 TYR 447 -1.679 -1.443 3.138 114 HD2 TYR 447 HD2 TYR 447 1.591 1.027 4.292 115 HE1 TYR 447 HE1 TYR 447 -1.205 -2.962 5.011 116 HE2 TYR 447 HE2 TYR 447 2.068 -0.482 6.178 117 HH TYR 447 HH TYR 447 0.711 -3.576 6.444 118 H TYR 448 HN TYR 448 -1.872 -0.070 -0.968 119 HA TYR 448 HA TYR 448 -0.552 2.086 -2.412 120 HB2 TYR 448 HB2 TYR 448 -1.329 -0.199 -3.393 121 HB3 TYR 448 HB1 TYR 448 -2.929 0.533 -3.412 122 HD1 TYR 448 HD1 TYR 448 -3.360 2.521 -4.860 123 HD2 TYR 448 HD2 TYR 448 0.331 0.405 -4.982 124 HE1 TYR 448 HE1 TYR 448 -2.831 3.575 -7.019 125 HE2 TYR 448 HE2 TYR 448 0.867 1.454 -7.138 126 HH TYR 448 HH TYR 448 -0.823 4.112 -8.365 127 H ASN 449 HN ASN 449 -1.337 4.091 -2.530 128 HA ASN 449 HA ASN 449 -3.983 4.566 -1.326 129 HB2 ASN 449 HB2 ASN 449 -2.394 5.356 0.210 130 HB3 ASN 449 HB1 ASN 449 -1.382 6.041 -1.057 131 HD21 ASN 449 HD21 ASN 449 -4.412 6.388 0.671 132 HD22 ASN 449 HD22 ASN 449 -4.565 8.092 0.400 133 H ASN 450 HN ASN 450 -5.396 5.837 -2.339 134 HA ASN 450 HA ASN 450 -4.772 6.693 -5.042 135 HB2 ASN 450 HB2 ASN 450 -6.845 5.436 -4.571 136 HB3 ASN 450 HB1 ASN 450 -7.386 6.731 -3.513 137 HD21 ASN 450 HD21 ASN 450 -5.769 7.123 -6.627 138 HD22 ASN 450 HD22 ASN 450 -7.107 7.872 -7.415 139 H ARG 451 HN ARG 451 -4.819 8.106 -1.957 140 HA ARG 451 HA ARG 451 -5.896 10.651 -2.633 141 HB2 ARG 451 HB2 ARG 451 -4.195 9.820 -0.294 142 HB3 ARG 451 HB1 ARG 451 -4.938 11.405 -0.468 143 HG2 ARG 451 HG2 ARG 451 -6.364 8.764 -0.236 144 HG3 ARG 451 HG1 ARG 451 -6.275 10.034 0.987 145 HD2 ARG 451 HD2 ARG 451 -7.503 11.548 -0.460 146 HD3 ARG 451 HD1 ARG 451 -7.533 10.333 -1.738 147 HE ARG 451 HE ARG 451 -8.753 9.619 0.823 148 HH11 ARG 451 HH11 ARG 451 -9.182 10.603 -2.529 149 HH12 ARG 451 HH12 ARG 451 -10.866 10.157 -2.555 150 HH21 ARG 451 HH21 ARG 451 -10.934 9.043 0.767 151 HH22 ARG 451 HH22 ARG 451 -11.859 9.288 -0.687 152 H THR 452 HN THR 452 -2.612 9.400 -2.347 153 HA THR 452 HA THR 452 -1.679 11.796 -3.781 154 HB THR 452 HB THR 452 0.631 10.936 -2.902 155 HG1 THR 452 HG1 THR 452 0.558 9.614 -1.168 156 HG21 THR 452 HG21 THR 452 -1.401 12.227 -1.077 157 HG22 THR 452 HG22 THR 452 -0.370 13.057 -2.242 158 HG23 THR 452 HG23 THR 452 0.346 12.256 -0.842 159 H ALA 453 HN ALA 453 -2.538 8.696 -4.258 160 HA ALA 453 HA ALA 453 -2.319 7.216 -5.967 161 HB1 ALA 453 HB1 ALA 453 -2.537 9.199 -7.385 162 HB2 ALA 453 HB2 ALA 453 -1.462 8.000 -8.104 163 HB3 ALA 453 HB3 ALA 453 -0.790 9.434 -7.326 164 H GLU 454 HN GLU 454 -0.394 7.229 -3.826 165 HA GLU 454 HA GLU 454 2.085 6.448 -5.209 166 HB2 GLU 454 HB2 GLU 454 3.260 6.925 -3.141 167 HB3 GLU 454 HB1 GLU 454 2.317 8.329 -3.620 168 HG2 GLU 454 HG2 GLU 454 0.646 7.847 -1.971 169 HG3 GLU 454 HG1 GLU 454 1.419 6.313 -1.577 170 H SER 455 HN SER 455 3.082 4.516 -4.704 171 HA SER 455 HA SER 455 1.546 2.608 -3.132 172 HB2 SER 455 HB2 SER 455 3.487 1.058 -3.809 173 HB3 SER 455 HB1 SER 455 2.423 1.620 -5.098 174 HG SER 455 HG SER 455 3.985 3.208 -5.607 175 H THR 456 HN THR 456 1.744 2.834 -1.018 176 HA THR 456 HA THR 456 4.162 3.979 0.113 177 HB THR 456 HB THR 456 1.579 3.208 1.496 178 HG1 THR 456 HG1 THR 456 2.395 5.775 0.522 179 HG21 THR 456 HG21 THR 456 2.305 4.815 3.203 180 HG22 THR 456 HG22 THR 456 3.812 5.070 2.322 181 HG23 THR 456 HG23 THR 456 3.457 3.493 3.030 182 H TRP 457 HN TRP 457 5.772 2.604 0.518 183 HA TRP 457 HA TRP 457 5.177 -0.068 1.559 184 HB2 TRP 457 HB2 TRP 457 7.815 1.142 0.685 185 HB3 TRP 457 HB1 TRP 457 7.565 -0.533 1.174 186 HD1 TRP 457 HD1 TRP 457 6.803 1.886 -1.701 187 HE1 TRP 457 HE1 TRP 457 6.174 0.518 -3.784 188 HE3 TRP 457 HE3 TRP 457 6.659 -2.765 0.416 189 HZ2 TRP 457 HZ2 TRP 457 5.672 -2.187 -4.440 190 HZ3 TRP 457 HZ3 TRP 457 6.103 -4.692 -1.008 191 HH2 TRP 457 HH2 TRP 457 5.623 -4.408 -3.387 192 H GLU 458 HN GLU 458 5.614 2.956 2.668 193 HA GLU 458 HA GLU 458 7.176 2.418 5.017 194 HB2 GLU 458 HB2 GLU 458 5.282 4.715 4.474 195 HB3 GLU 458 HB1 GLU 458 6.534 4.660 5.706 196 HG2 GLU 458 HG2 GLU 458 6.906 4.764 2.726 197 HG3 GLU 458 HG1 GLU 458 7.306 6.011 3.907 198 H LYS 459 HN LYS 459 6.442 1.557 6.871 199 HA LYS 459 HA LYS 459 3.652 0.884 7.149 200 HB2 LYS 459 HB2 LYS 459 5.355 -0.713 7.861 201 HB3 LYS 459 HB1 LYS 459 5.995 0.454 9.008 202 HG2 LYS 459 HG2 LYS 459 4.616 -1.244 10.097 203 HG3 LYS 459 HG1 LYS 459 3.938 0.374 10.285 204 HD2 LYS 459 HD2 LYS 459 2.383 -0.081 8.434 205 HD3 LYS 459 HD1 LYS 459 3.041 -1.713 8.296 206 HE2 LYS 459 HE2 LYS 459 2.313 -2.201 10.573 207 HE3 LYS 459 HE1 LYS 459 1.680 -0.562 10.730 208 HZ1 LYS 459 HZ1 LYS 459 0.062 -0.999 9.061 209 HZ2 LYS 459 HZ2 LYS 459 -0.015 -2.266 10.186 210 HZ3 LYS 459 HZ3 LYS 459 0.747 -2.503 8.691 211 HA PRO 460 HA PRO 460 3.068 4.789 9.404 212 HB2 PRO 460 HB2 PRO 460 0.225 4.258 9.232 213 HB3 PRO 460 HB1 PRO 460 1.155 5.549 8.473 214 HG2 PRO 460 HG2 PRO 460 -0.007 3.487 7.099 215 HG3 PRO 460 HG1 PRO 460 1.401 4.397 6.525 216 HD2 PRO 460 HD2 PRO 460 1.270 1.694 7.784 217 HD3 PRO 460 HD1 PRO 460 2.331 2.307 6.498 Start of MODEL 17 1 H SER 433 HT1 SER 433 -10.678 2.691 7.374 2 HA SER 433 HA SER 433 -8.597 2.825 6.146 3 HB2 SER 433 HB2 SER 433 -9.446 0.631 6.835 4 HB3 SER 433 HB1 SER 433 -10.415 0.526 5.368 5 HG SER 433 HG SER 433 -7.572 0.609 5.531 6 H GLU 434 HN GLU 434 -8.169 4.304 4.607 7 HA GLU 434 HA GLU 434 -9.414 3.951 1.971 8 HB2 GLU 434 HB2 GLU 434 -8.430 6.184 1.447 9 HB3 GLU 434 HB1 GLU 434 -9.590 6.207 2.765 10 HG2 GLU 434 HG2 GLU 434 -6.618 6.094 3.208 11 HG3 GLU 434 HG1 GLU 434 -7.514 7.606 3.070 12 H TRP 435 HN TRP 435 -6.592 3.278 3.675 13 HA TRP 435 HA TRP 435 -4.901 3.179 1.307 14 HB2 TRP 435 HB2 TRP 435 -4.284 2.341 4.158 15 HB3 TRP 435 HB1 TRP 435 -3.121 2.505 2.846 16 HD1 TRP 435 HD1 TRP 435 -5.174 4.572 5.304 17 HE1 TRP 435 HE1 TRP 435 -4.299 6.987 5.315 18 HE3 TRP 435 HE3 TRP 435 -1.883 4.249 1.407 19 HZ2 TRP 435 HZ2 TRP 435 -2.448 8.553 3.858 20 HZ3 TRP 435 HZ3 TRP 435 -0.602 6.252 0.776 21 HH2 TRP 435 HH2 TRP 435 -0.882 8.361 1.970 22 H THR 436 HN THR 436 -4.726 1.387 0.096 23 HA THR 436 HA THR 436 -6.154 -0.992 0.980 24 HB THR 436 HB THR 436 -4.826 -0.363 -1.666 25 HG1 THR 436 HG1 THR 436 -7.157 0.405 -0.639 26 HG21 THR 436 HG21 THR 436 -4.875 -2.782 -1.251 27 HG22 THR 436 HG22 THR 436 -6.013 -2.337 -2.525 28 HG23 THR 436 HG23 THR 436 -6.603 -2.689 -0.901 29 H GLU 437 HN GLU 437 -5.151 -2.631 1.911 30 HA GLU 437 HA GLU 437 -2.251 -2.790 1.793 31 HB2 GLU 437 HB2 GLU 437 -2.667 -4.727 3.414 32 HB3 GLU 437 HB1 GLU 437 -3.091 -3.119 3.982 33 HG2 GLU 437 HG2 GLU 437 -5.405 -3.523 3.657 34 HG3 GLU 437 HG1 GLU 437 -5.085 -5.014 2.772 35 H ARG 438 HN ARG 438 -1.564 -3.630 -0.089 36 HA ARG 438 HA ARG 438 -3.292 -5.570 -1.414 37 HB2 ARG 438 HB2 ARG 438 -0.971 -3.908 -2.418 38 HB3 ARG 438 HB1 ARG 438 -1.751 -5.163 -3.383 39 HG2 ARG 438 HG2 ARG 438 -3.902 -3.968 -3.117 40 HG3 ARG 438 HG1 ARG 438 -3.044 -2.678 -2.280 41 HD2 ARG 438 HD2 ARG 438 -1.669 -2.333 -4.290 42 HD3 ARG 438 HD1 ARG 438 -2.596 -3.579 -5.120 43 HE ARG 438 HE ARG 438 -4.321 -1.589 -4.094 44 HH11 ARG 438 HH11 ARG 438 -2.080 -2.213 -6.714 45 HH12 ARG 438 HH12 ARG 438 -2.731 -0.959 -7.734 46 HH21 ARG 438 HH21 ARG 438 -5.193 0.035 -5.438 47 HH22 ARG 438 HH22 ARG 438 -4.497 0.315 -7.012 48 H LYS 439 HN LYS 439 -2.973 -7.517 -0.735 49 HA LYS 439 HA LYS 439 -0.276 -8.407 -0.086 50 HB2 LYS 439 HB2 LYS 439 -1.518 -10.434 0.835 51 HB3 LYS 439 HB1 LYS 439 -1.761 -8.907 1.670 52 HG2 LYS 439 HG2 LYS 439 -3.891 -8.628 0.404 53 HG3 LYS 439 HG1 LYS 439 -3.656 -10.250 -0.249 54 HD2 LYS 439 HD2 LYS 439 -5.149 -10.368 1.636 55 HD3 LYS 439 HD1 LYS 439 -3.615 -11.124 2.072 56 HE2 LYS 439 HE2 LYS 439 -4.402 -9.738 3.894 57 HE3 LYS 439 HE1 LYS 439 -2.935 -9.050 3.203 58 HZ1 LYS 439 HZ1 LYS 439 -4.557 -7.336 3.638 59 HZ2 LYS 439 HZ2 LYS 439 -5.718 -8.123 2.686 60 HZ3 LYS 439 HZ3 LYS 439 -4.327 -7.481 1.963 61 H THR 440 HN THR 440 0.689 -8.842 -1.916 62 HA THR 440 HA THR 440 -0.621 -10.407 -3.980 63 HB THR 440 HB THR 440 1.492 -10.074 -5.251 64 HG1 THR 440 HG1 THR 440 2.246 -8.667 -2.884 65 HG21 THR 440 HG21 THR 440 -0.328 -8.439 -5.436 66 HG22 THR 440 HG22 THR 440 1.249 -7.658 -5.570 67 HG23 THR 440 HG23 THR 440 0.335 -7.547 -4.066 68 H ALA 441 HN ALA 441 0.163 -12.375 -4.791 69 HA ALA 441 HA ALA 441 0.854 -14.269 -2.804 70 HB1 ALA 441 HB1 ALA 441 0.917 -14.579 -5.805 71 HB2 ALA 441 HB2 ALA 441 -0.495 -14.817 -4.777 72 HB3 ALA 441 HB3 ALA 441 0.899 -15.886 -4.621 73 H ASP 442 HN ASP 442 2.766 -12.150 -4.560 74 HA ASP 442 HA ASP 442 5.185 -13.631 -4.727 75 HB2 ASP 442 HB2 ASP 442 4.854 -11.664 -6.097 76 HB3 ASP 442 HB1 ASP 442 4.606 -10.658 -4.676 77 H GLY 443 HN GLY 443 3.428 -12.446 -2.130 78 HA2 GLY 443 HA2 GLY 443 3.923 -12.917 0.109 79 HA3 GLY 443 HA1 GLY 443 5.615 -13.107 -0.326 80 H LYS 444 HN LYS 444 3.464 -10.369 -1.008 81 HA LYS 444 HA LYS 444 4.789 -8.793 1.032 82 HB2 LYS 444 HB2 LYS 444 5.566 -7.045 -0.466 83 HB3 LYS 444 HB1 LYS 444 6.315 -8.579 -0.889 84 HG2 LYS 444 HG2 LYS 444 4.736 -8.840 -2.728 85 HG3 LYS 444 HG1 LYS 444 3.983 -7.305 -2.300 86 HD2 LYS 444 HD2 LYS 444 6.105 -6.154 -2.733 87 HD3 LYS 444 HD1 LYS 444 6.842 -7.696 -3.180 88 HE2 LYS 444 HE2 LYS 444 4.589 -6.264 -4.574 89 HE3 LYS 444 HE1 LYS 444 6.211 -6.579 -5.194 90 HZ1 LYS 444 HZ1 LYS 444 4.643 -8.138 -6.130 91 HZ2 LYS 444 HZ2 LYS 444 4.143 -8.620 -4.588 92 HZ3 LYS 444 HZ3 LYS 444 5.722 -8.960 -5.106 93 H THR 445 HN THR 445 3.497 -7.343 1.873 94 HA THR 445 HA THR 445 1.009 -6.629 0.471 95 HB THR 445 HB THR 445 1.618 -6.669 3.440 96 HG1 THR 445 HG1 THR 445 1.288 -8.757 2.708 97 HG21 THR 445 HG21 THR 445 -0.774 -6.208 3.745 98 HG22 THR 445 HG22 THR 445 -0.956 -6.025 2.000 99 HG23 THR 445 HG23 THR 445 0.042 -4.887 2.905 100 H TYR 446 HN TYR 446 0.548 -4.445 0.155 101 HA TYR 446 HA TYR 446 2.277 -2.473 1.417 102 HB2 TYR 446 HB2 TYR 446 2.673 -1.415 -0.894 103 HB3 TYR 446 HB1 TYR 446 3.655 -2.793 -0.428 104 HD1 TYR 446 HD1 TYR 446 0.975 -1.623 -2.660 105 HD2 TYR 446 HD2 TYR 446 3.470 -4.898 -1.590 106 HE1 TYR 446 HE1 TYR 446 0.429 -2.731 -4.784 107 HE2 TYR 446 HE2 TYR 446 2.906 -6.022 -3.701 108 HH TYR 446 HH TYR 446 1.342 -4.404 -6.268 109 H TYR 447 HN TYR 447 1.394 -0.449 1.565 110 HA TYR 447 HA TYR 447 -1.499 -0.488 1.232 111 HB2 TYR 447 HB2 TYR 447 -0.000 1.717 2.613 112 HB3 TYR 447 HB1 TYR 447 -1.612 1.092 2.945 113 HD1 TYR 447 HD1 TYR 447 -1.529 -1.574 3.578 114 HD2 TYR 447 HD2 TYR 447 1.594 1.251 4.200 115 HE1 TYR 447 HE1 TYR 447 -0.571 -3.018 5.329 116 HE2 TYR 447 HE2 TYR 447 2.550 -0.189 5.949 117 HH TYR 447 HH TYR 447 1.563 -3.414 6.411 118 H TYR 448 HN TYR 448 -1.964 0.035 -0.826 119 HA TYR 448 HA TYR 448 -0.651 2.330 -2.079 120 HB2 TYR 448 HB2 TYR 448 -1.073 -0.034 -3.143 121 HB3 TYR 448 HB1 TYR 448 -2.692 0.589 -3.426 122 HD1 TYR 448 HD1 TYR 448 -2.878 2.807 -4.754 123 HD2 TYR 448 HD2 TYR 448 0.643 0.423 -4.623 124 HE1 TYR 448 HE1 TYR 448 -2.077 3.889 -6.813 125 HE2 TYR 448 HE2 TYR 448 1.455 1.498 -6.678 126 HH TYR 448 HH TYR 448 0.227 4.313 -7.896 127 H ASN 449 HN ASN 449 -1.665 4.242 -2.357 128 HA ASN 449 HA ASN 449 -4.597 4.327 -2.192 129 HB2 ASN 449 HB2 ASN 449 -3.539 4.942 0.033 130 HB3 ASN 449 HB1 ASN 449 -2.840 6.338 -0.775 131 HD21 ASN 449 HD21 ASN 449 -4.710 6.223 1.440 132 HD22 ASN 449 HD22 ASN 449 -6.116 7.098 0.942 133 H ASN 450 HN ASN 450 -5.508 5.633 -3.656 134 HA ASN 450 HA ASN 450 -3.876 6.709 -5.741 135 HB2 ASN 450 HB2 ASN 450 -5.965 7.251 -6.843 136 HB3 ASN 450 HB1 ASN 450 -6.075 5.636 -6.152 137 HD21 ASN 450 HD21 ASN 450 -7.270 8.863 -6.084 138 HD22 ASN 450 HD22 ASN 450 -8.561 8.592 -4.961 139 H ARG 451 HN ARG 451 -4.654 7.953 -2.779 140 HA ARG 451 HA ARG 451 -5.257 10.621 -3.167 141 HB2 ARG 451 HB2 ARG 451 -5.112 9.723 -0.937 142 HB3 ARG 451 HB1 ARG 451 -3.406 9.353 -1.146 143 HG2 ARG 451 HG2 ARG 451 -2.858 11.707 -1.201 144 HG3 ARG 451 HG1 ARG 451 -4.570 12.134 -1.121 145 HD2 ARG 451 HD2 ARG 451 -4.752 11.161 1.079 146 HD3 ARG 451 HD1 ARG 451 -3.088 10.580 0.997 147 HE ARG 451 HE ARG 451 -2.499 13.048 0.859 148 HH11 ARG 451 HH11 ARG 451 -5.428 11.954 2.437 149 HH12 ARG 451 HH12 ARG 451 -5.392 13.192 3.657 150 HH21 ARG 451 HH21 ARG 451 -2.467 14.707 2.414 151 HH22 ARG 451 HH22 ARG 451 -3.710 14.775 3.633 152 H THR 452 HN THR 452 -2.018 9.173 -3.034 153 HA THR 452 HA THR 452 -1.095 11.337 -4.802 154 HB THR 452 HB THR 452 1.212 10.749 -3.881 155 HG1 THR 452 HG1 THR 452 1.328 9.526 -2.089 156 HG21 THR 452 HG21 THR 452 0.910 12.144 -1.877 157 HG22 THR 452 HG22 THR 452 -0.838 11.952 -2.016 158 HG23 THR 452 HG23 THR 452 0.057 12.806 -3.272 159 H ALA 453 HN ALA 453 -2.027 8.237 -4.798 160 HA ALA 453 HA ALA 453 -1.768 6.426 -6.127 161 HB1 ALA 453 HB1 ALA 453 -0.144 8.287 -7.862 162 HB2 ALA 453 HB2 ALA 453 -1.885 8.027 -7.967 163 HB3 ALA 453 HB3 ALA 453 -0.775 6.711 -8.342 164 H GLU 454 HN GLU 454 -0.034 6.784 -3.934 165 HA GLU 454 HA GLU 454 2.527 5.707 -4.923 166 HB2 GLU 454 HB2 GLU 454 1.897 7.249 -2.403 167 HB3 GLU 454 HB1 GLU 454 3.439 6.457 -2.699 168 HG2 GLU 454 HG2 GLU 454 3.741 7.863 -4.698 169 HG3 GLU 454 HG1 GLU 454 2.230 8.691 -4.313 170 H SER 455 HN SER 455 3.461 3.952 -3.906 171 HA SER 455 HA SER 455 1.653 2.305 -2.310 172 HB2 SER 455 HB2 SER 455 3.479 0.564 -2.642 173 HB3 SER 455 HB1 SER 455 2.658 1.098 -4.108 174 HG SER 455 HG SER 455 4.784 2.686 -3.597 175 H THR 456 HN THR 456 1.750 2.483 -0.184 176 HA THR 456 HA THR 456 4.060 3.742 1.054 177 HB THR 456 HB THR 456 1.488 2.880 2.385 178 HG1 THR 456 HG1 THR 456 1.629 4.582 0.462 179 HG21 THR 456 HG21 THR 456 2.065 4.656 3.983 180 HG22 THR 456 HG22 THR 456 3.555 4.965 3.091 181 HG23 THR 456 HG23 THR 456 3.323 3.419 3.904 182 H TRP 457 HN TRP 457 5.668 2.510 1.702 183 HA TRP 457 HA TRP 457 5.106 -0.176 2.761 184 HB2 TRP 457 HB2 TRP 457 7.800 0.984 2.017 185 HB3 TRP 457 HB1 TRP 457 7.431 -0.698 2.368 186 HD1 TRP 457 HD1 TRP 457 6.944 1.959 -0.359 187 HE1 TRP 457 HE1 TRP 457 6.442 0.775 -2.586 188 HE3 TRP 457 HE3 TRP 457 6.553 -2.853 1.344 189 HZ2 TRP 457 HZ2 TRP 457 5.953 -1.846 -3.503 190 HZ3 TRP 457 HZ3 TRP 457 6.070 -4.638 -0.284 191 HH2 TRP 457 HH2 TRP 457 5.780 -4.142 -2.653 192 H GLU 458 HN GLU 458 6.278 2.980 3.548 193 HA GLU 458 HA GLU 458 7.332 2.272 6.138 194 HB2 GLU 458 HB2 GLU 458 7.314 4.587 4.419 195 HB3 GLU 458 HB1 GLU 458 6.758 5.042 6.021 196 HG2 GLU 458 HG2 GLU 458 9.074 5.410 6.003 197 HG3 GLU 458 HG1 GLU 458 8.832 3.928 6.923 198 H LYS 459 HN LYS 459 6.196 2.170 7.998 199 HA LYS 459 HA LYS 459 3.403 2.441 8.102 200 HB2 LYS 459 HB2 LYS 459 5.504 2.404 10.261 201 HB3 LYS 459 HB1 LYS 459 3.785 2.508 10.622 202 HG2 LYS 459 HG2 LYS 459 5.131 0.279 9.108 203 HG3 LYS 459 HG1 LYS 459 4.600 0.219 10.791 204 HD2 LYS 459 HD2 LYS 459 2.288 0.604 10.066 205 HD3 LYS 459 HD1 LYS 459 2.823 0.635 8.386 206 HE2 LYS 459 HE2 LYS 459 3.074 -1.704 10.271 207 HE3 LYS 459 HE1 LYS 459 1.866 -1.533 8.998 208 HZ1 LYS 459 HZ1 LYS 459 3.570 -2.890 8.148 209 HZ2 LYS 459 HZ2 LYS 459 4.799 -1.859 8.688 210 HZ3 LYS 459 HZ3 LYS 459 3.787 -1.384 7.415 211 HA PRO 460 HA PRO 460 2.900 6.860 7.824 212 HB2 PRO 460 HB2 PRO 460 0.468 6.138 9.399 213 HB3 PRO 460 HB1 PRO 460 0.618 7.160 7.965 214 HG2 PRO 460 HG2 PRO 460 -0.318 4.675 7.769 215 HG3 PRO 460 HG1 PRO 460 0.746 5.350 6.523 216 HD2 PRO 460 HD2 PRO 460 1.340 3.343 8.634 217 HD3 PRO 460 HD1 PRO 460 2.033 3.518 7.010 Start of MODEL 18 1 H SER 433 HT1 SER 433 -11.455 2.771 0.581 2 HA SER 433 HA SER 433 -10.482 3.018 3.363 3 HB2 SER 433 HB2 SER 433 -8.892 1.164 2.495 4 HB3 SER 433 HB1 SER 433 -10.535 0.710 2.942 5 HG SER 433 HG SER 433 -9.883 -0.175 0.922 6 H GLU 434 HN GLU 434 -8.849 4.368 3.599 7 HA GLU 434 HA GLU 434 -7.904 5.832 1.314 8 HB2 GLU 434 HB2 GLU 434 -7.457 6.063 4.276 9 HB3 GLU 434 HB1 GLU 434 -6.517 7.020 3.144 10 HG2 GLU 434 HG2 GLU 434 -8.511 8.164 4.132 11 HG3 GLU 434 HG1 GLU 434 -8.431 8.166 2.371 12 H TRP 435 HN TRP 435 -6.538 3.506 3.587 13 HA TRP 435 HA TRP 435 -4.092 3.485 1.937 14 HB2 TRP 435 HB2 TRP 435 -4.208 2.669 4.844 15 HB3 TRP 435 HB1 TRP 435 -2.777 2.955 3.861 16 HD1 TRP 435 HD1 TRP 435 -4.757 4.576 6.438 17 HE1 TRP 435 HE1 TRP 435 -4.339 7.116 6.522 18 HE3 TRP 435 HE3 TRP 435 -2.352 5.135 1.964 19 HZ2 TRP 435 HZ2 TRP 435 -3.166 9.099 4.872 20 HZ3 TRP 435 HZ3 TRP 435 -1.623 7.381 1.289 21 HH2 TRP 435 HH2 TRP 435 -2.030 9.323 2.700 22 H THR 436 HN THR 436 -4.418 1.788 0.597 23 HA THR 436 HA THR 436 -5.488 -0.691 1.717 24 HB THR 436 HB THR 436 -4.807 0.059 -1.131 25 HG1 THR 436 HG1 THR 436 -6.961 0.487 0.395 26 HG21 THR 436 HG21 THR 436 -6.072 -2.480 -0.068 27 HG22 THR 436 HG22 THR 436 -4.448 -2.348 -0.748 28 HG23 THR 436 HG23 THR 436 -5.860 -2.066 -1.768 29 H GLU 437 HN GLU 437 -3.977 -1.855 2.759 30 HA GLU 437 HA GLU 437 -1.362 -2.143 1.533 31 HB2 GLU 437 HB2 GLU 437 -0.965 -3.712 3.514 32 HB3 GLU 437 HB1 GLU 437 -1.140 -2.000 3.854 33 HG2 GLU 437 HG2 GLU 437 -3.567 -2.500 4.385 34 HG3 GLU 437 HG1 GLU 437 -3.108 -4.204 4.355 35 H ARG 438 HN ARG 438 -1.231 -3.398 -0.105 36 HA ARG 438 HA ARG 438 -3.278 -5.414 -0.543 37 HB2 ARG 438 HB2 ARG 438 -1.446 -3.810 -2.261 38 HB3 ARG 438 HB1 ARG 438 -1.879 -5.422 -2.843 39 HG2 ARG 438 HG2 ARG 438 -4.218 -4.887 -2.785 40 HG3 ARG 438 HG1 ARG 438 -3.888 -3.337 -2.009 41 HD2 ARG 438 HD2 ARG 438 -2.827 -2.501 -3.953 42 HD3 ARG 438 HD1 ARG 438 -2.833 -4.086 -4.726 43 HE ARG 438 HE ARG 438 -5.426 -2.943 -4.064 44 HH11 ARG 438 HH11 ARG 438 -2.973 -3.491 -6.509 45 HH12 ARG 438 HH12 ARG 438 -4.050 -3.200 -7.842 46 HH21 ARG 438 HH21 ARG 438 -6.828 -2.517 -5.790 47 HH22 ARG 438 HH22 ARG 438 -6.249 -2.616 -7.430 48 H LYS 439 HN LYS 439 -2.934 -7.438 -0.064 49 HA LYS 439 HA LYS 439 -0.229 -8.305 0.544 50 HB2 LYS 439 HB2 LYS 439 -2.844 -9.785 0.903 51 HB3 LYS 439 HB1 LYS 439 -1.283 -10.251 1.561 52 HG2 LYS 439 HG2 LYS 439 -1.263 -8.299 2.990 53 HG3 LYS 439 HG1 LYS 439 -2.781 -7.741 2.284 54 HD2 LYS 439 HD2 LYS 439 -3.500 -8.753 4.238 55 HD3 LYS 439 HD1 LYS 439 -3.691 -10.047 3.057 56 HE2 LYS 439 HE2 LYS 439 -1.373 -9.708 4.966 57 HE3 LYS 439 HE1 LYS 439 -2.688 -10.868 5.135 58 HZ1 LYS 439 HZ1 LYS 439 -0.812 -11.991 4.235 59 HZ2 LYS 439 HZ2 LYS 439 -0.593 -10.820 3.036 60 HZ3 LYS 439 HZ3 LYS 439 -1.946 -11.843 2.980 61 H THR 440 HN THR 440 0.801 -8.757 -1.301 62 HA THR 440 HA THR 440 -0.436 -10.455 -3.312 63 HB THR 440 HB THR 440 1.656 -10.201 -4.559 64 HG1 THR 440 HG1 THR 440 2.531 -8.677 -2.306 65 HG21 THR 440 HG21 THR 440 1.597 -7.792 -4.915 66 HG22 THR 440 HG22 THR 440 0.695 -7.578 -3.414 67 HG23 THR 440 HG23 THR 440 -0.033 -8.439 -4.769 68 H ALA 441 HN ALA 441 0.415 -12.476 -3.973 69 HA ALA 441 HA ALA 441 0.720 -14.235 -1.812 70 HB1 ALA 441 HB1 ALA 441 1.218 -14.766 -4.733 71 HB2 ALA 441 HB2 ALA 441 -0.349 -14.839 -3.922 72 HB3 ALA 441 HB3 ALA 441 0.927 -15.977 -3.485 73 H ASP 442 HN ASP 442 3.112 -12.544 -3.643 74 HA ASP 442 HA ASP 442 5.322 -14.239 -3.216 75 HB2 ASP 442 HB2 ASP 442 5.343 -12.303 -4.765 76 HB3 ASP 442 HB1 ASP 442 5.305 -11.216 -3.381 77 H GLY 443 HN GLY 443 3.439 -12.533 -1.025 78 HA2 GLY 443 HA2 GLY 443 3.623 -12.632 1.304 79 HA3 GLY 443 HA1 GLY 443 5.313 -13.091 1.135 80 H LYS 444 HN LYS 444 3.783 -10.378 -0.474 81 HA LYS 444 HA LYS 444 5.120 -8.537 1.379 82 HB2 LYS 444 HB2 LYS 444 6.006 -7.172 -0.444 83 HB3 LYS 444 HB1 LYS 444 6.656 -8.803 -0.521 84 HG2 LYS 444 HG2 LYS 444 5.255 -9.360 -2.356 85 HG3 LYS 444 HG1 LYS 444 4.332 -7.870 -2.183 86 HD2 LYS 444 HD2 LYS 444 5.728 -7.395 -3.967 87 HD3 LYS 444 HD1 LYS 444 6.602 -6.696 -2.607 88 HE2 LYS 444 HE2 LYS 444 7.134 -9.457 -3.680 89 HE3 LYS 444 HE1 LYS 444 7.984 -8.022 -4.241 90 HZ1 LYS 444 HZ1 LYS 444 9.219 -9.227 -2.544 91 HZ2 LYS 444 HZ2 LYS 444 7.962 -9.006 -1.435 92 HZ3 LYS 444 HZ3 LYS 444 8.823 -7.665 -2.022 93 H THR 445 HN THR 445 3.954 -6.786 1.866 94 HA THR 445 HA THR 445 1.453 -6.364 0.380 95 HB THR 445 HB THR 445 1.131 -6.990 2.749 96 HG1 THR 445 HG1 THR 445 -0.057 -4.943 3.303 97 HG21 THR 445 HG21 THR 445 3.178 -6.088 3.710 98 HG22 THR 445 HG22 THR 445 1.771 -5.416 4.533 99 HG23 THR 445 HG23 THR 445 2.645 -4.445 3.349 100 H TYR 446 HN TYR 446 0.876 -4.213 -0.180 101 HA TYR 446 HA TYR 446 2.841 -2.150 0.399 102 HB2 TYR 446 HB2 TYR 446 2.953 -1.425 -1.961 103 HB3 TYR 446 HB1 TYR 446 3.669 -3.000 -1.688 104 HD1 TYR 446 HD1 TYR 446 0.419 -1.493 -2.816 105 HD2 TYR 446 HD2 TYR 446 3.201 -4.689 -3.191 106 HE1 TYR 446 HE1 TYR 446 -0.803 -2.325 -4.760 107 HE2 TYR 446 HE2 TYR 446 1.938 -5.557 -5.121 108 HH TYR 446 HH TYR 446 -0.417 -5.395 -6.035 109 H TYR 447 HN TYR 447 2.048 -0.086 0.410 110 HA TYR 447 HA TYR 447 -0.841 0.011 0.689 111 HB2 TYR 447 HB2 TYR 447 1.375 1.911 1.448 112 HB3 TYR 447 HB1 TYR 447 -0.321 2.364 1.553 113 HD1 TYR 447 HD1 TYR 447 1.429 -0.821 2.443 114 HD2 TYR 447 HD2 TYR 447 -0.847 2.510 3.786 115 HE1 TYR 447 HE1 TYR 447 1.267 -1.839 4.676 116 HE2 TYR 447 HE2 TYR 447 -1.018 1.485 6.022 117 HH TYR 447 HH TYR 447 -0.963 -0.901 6.911 118 H TYR 448 HN TYR 448 -1.693 0.120 -1.343 119 HA TYR 448 HA TYR 448 -0.814 2.268 -3.091 120 HB2 TYR 448 HB2 TYR 448 -1.594 -0.071 -3.890 121 HB3 TYR 448 HB1 TYR 448 -3.225 0.530 -3.588 122 HD1 TYR 448 HD1 TYR 448 -4.032 2.552 -4.849 123 HD2 TYR 448 HD2 TYR 448 -0.392 0.577 -5.818 124 HE1 TYR 448 HE1 TYR 448 -4.009 3.679 -7.037 125 HE2 TYR 448 HE2 TYR 448 -0.363 1.691 -8.009 126 HH TYR 448 HH TYR 448 -1.869 2.765 -9.562 127 H ASN 449 HN ASN 449 -1.577 4.213 -2.895 128 HA ASN 449 HA ASN 449 -4.155 4.613 -1.534 129 HB2 ASN 449 HB2 ASN 449 -2.448 5.471 -0.136 130 HB3 ASN 449 HB1 ASN 449 -1.593 6.197 -1.494 131 HD21 ASN 449 HD21 ASN 449 -4.421 6.419 0.550 132 HD22 ASN 449 HD22 ASN 449 -4.699 8.104 0.274 133 H ASN 450 HN ASN 450 -5.700 5.763 -2.547 134 HA ASN 450 HA ASN 450 -5.093 6.732 -5.241 135 HB2 ASN 450 HB2 ASN 450 -7.013 5.170 -4.857 136 HB3 ASN 450 HB1 ASN 450 -7.789 6.429 -3.905 137 HD21 ASN 450 HD21 ASN 450 -5.918 7.000 -6.816 138 HD22 ASN 450 HD22 ASN 450 -7.244 7.528 -7.787 139 H ARG 451 HN ARG 451 -5.163 7.996 -2.193 140 HA ARG 451 HA ARG 451 -6.604 10.408 -2.648 141 HB2 ARG 451 HB2 ARG 451 -4.573 9.697 -0.537 142 HB3 ARG 451 HB1 ARG 451 -5.466 11.212 -0.567 143 HG2 ARG 451 HG2 ARG 451 -6.675 8.459 -0.356 144 HG3 ARG 451 HG1 ARG 451 -6.467 9.604 0.973 145 HD2 ARG 451 HD2 ARG 451 -7.969 11.169 -0.102 146 HD3 ARG 451 HD1 ARG 451 -8.108 10.115 -1.506 147 HE ARG 451 HE ARG 451 -8.893 8.650 0.733 148 HH11 ARG 451 HH11 ARG 451 -9.958 11.458 -1.057 149 HH12 ARG 451 HH12 ARG 451 -11.646 11.200 -0.706 150 HH21 ARG 451 HH21 ARG 451 -11.100 8.297 1.203 151 HH22 ARG 451 HH22 ARG 451 -12.286 9.414 0.588 152 H THR 452 HN THR 452 -3.147 9.632 -2.585 153 HA THR 452 HA THR 452 -2.668 12.102 -4.130 154 HB THR 452 HB THR 452 -0.324 11.986 -3.177 155 HG1 THR 452 HG1 THR 452 0.073 10.617 -1.507 156 HG21 THR 452 HG21 THR 452 -0.952 12.968 -1.008 157 HG22 THR 452 HG22 THR 452 -2.597 12.375 -1.225 158 HG23 THR 452 HG23 THR 452 -1.948 13.593 -2.322 159 H ALA 453 HN ALA 453 -2.878 8.875 -4.418 160 HA ALA 453 HA ALA 453 -2.104 7.249 -5.770 161 HB1 ALA 453 HB1 ALA 453 -2.559 8.965 -7.528 162 HB2 ALA 453 HB2 ALA 453 -1.310 7.794 -7.950 163 HB3 ALA 453 HB3 ALA 453 -0.856 9.425 -7.441 164 H GLU 454 HN GLU 454 -0.762 6.409 -4.190 165 HA GLU 454 HA GLU 454 2.103 6.849 -4.570 166 HB2 GLU 454 HB2 GLU 454 0.784 8.222 -2.612 167 HB3 GLU 454 HB1 GLU 454 1.226 6.760 -1.748 168 HG2 GLU 454 HG2 GLU 454 3.139 8.578 -3.195 169 HG3 GLU 454 HG1 GLU 454 2.860 8.555 -1.456 170 H SER 455 HN SER 455 3.375 5.087 -3.886 171 HA SER 455 HA SER 455 1.882 2.749 -2.906 172 HB2 SER 455 HB2 SER 455 3.742 1.378 -3.991 173 HB3 SER 455 HB1 SER 455 2.602 2.159 -5.085 174 HG SER 455 HG SER 455 4.122 3.705 -5.558 175 H THR 456 HN THR 456 2.174 2.935 -0.810 176 HA THR 456 HA THR 456 4.760 3.687 0.309 177 HB THR 456 HB THR 456 2.015 3.325 1.521 178 HG1 THR 456 HG1 THR 456 3.241 5.368 0.209 179 HG21 THR 456 HG21 THR 456 2.807 4.157 3.575 180 HG22 THR 456 HG22 THR 456 4.369 4.614 2.884 181 HG23 THR 456 HG23 THR 456 3.963 2.911 3.101 182 H TRP 457 HN TRP 457 6.173 2.053 0.730 183 HA TRP 457 HA TRP 457 5.123 -0.616 1.253 184 HB2 TRP 457 HB2 TRP 457 7.926 0.373 0.713 185 HB3 TRP 457 HB1 TRP 457 7.531 -1.309 1.058 186 HD1 TRP 457 HD1 TRP 457 7.029 1.385 -1.637 187 HE1 TRP 457 HE1 TRP 457 6.399 0.223 -3.848 188 HE3 TRP 457 HE3 TRP 457 6.548 -3.401 0.079 189 HZ2 TRP 457 HZ2 TRP 457 5.769 -2.377 -4.739 190 HZ3 TRP 457 HZ3 TRP 457 5.930 -5.171 -1.516 191 HH2 TRP 457 HH2 TRP 457 5.550 -4.668 -3.878 192 H GLU 458 HN GLU 458 5.985 2.016 3.060 193 HA GLU 458 HA GLU 458 6.896 0.414 5.337 194 HB2 GLU 458 HB2 GLU 458 8.229 2.409 4.757 195 HB3 GLU 458 HB1 GLU 458 6.808 3.417 4.995 196 HG2 GLU 458 HG2 GLU 458 6.760 2.910 7.330 197 HG3 GLU 458 HG1 GLU 458 8.049 1.720 7.144 198 H LYS 459 HN LYS 459 5.515 -0.111 6.901 199 HA LYS 459 HA LYS 459 2.799 0.816 6.806 200 HB2 LYS 459 HB2 LYS 459 3.230 -1.492 7.403 201 HB3 LYS 459 HB1 LYS 459 4.252 -0.998 8.743 202 HG2 LYS 459 HG2 LYS 459 2.315 -0.031 9.872 203 HG3 LYS 459 HG1 LYS 459 1.285 -0.513 8.523 204 HD2 LYS 459 HD2 LYS 459 2.911 -2.449 10.168 205 HD3 LYS 459 HD1 LYS 459 1.230 -2.045 10.513 206 HE2 LYS 459 HE2 LYS 459 2.215 -3.193 7.903 207 HE3 LYS 459 HE1 LYS 459 1.516 -4.144 9.212 208 HZ1 LYS 459 HZ1 LYS 459 0.145 -1.966 7.721 209 HZ2 LYS 459 HZ2 LYS 459 -0.529 -2.870 8.991 210 HZ3 LYS 459 HZ3 LYS 459 -0.134 -3.629 7.530 211 HA PRO 460 HA PRO 460 3.607 4.362 9.425 212 HB2 PRO 460 HB2 PRO 460 0.970 5.083 9.681 213 HB3 PRO 460 HB1 PRO 460 1.972 5.491 8.287 214 HG2 PRO 460 HG2 PRO 460 -0.020 3.287 8.605 215 HG3 PRO 460 HG1 PRO 460 0.271 4.348 7.214 216 HD2 PRO 460 HD2 PRO 460 1.199 1.817 7.313 217 HD3 PRO 460 HD1 PRO 460 2.086 3.117 6.492 Start of MODEL 19 1 H SER 433 HT1 SER 433 -10.733 6.742 4.750 2 HA SER 433 HA SER 433 -10.088 4.449 4.141 3 HB2 SER 433 HB2 SER 433 -12.303 5.586 3.613 4 HB3 SER 433 HB1 SER 433 -11.666 5.901 2.000 5 HG SER 433 HG SER 433 -12.491 4.002 1.600 6 H GLU 434 HN GLU 434 -7.787 6.090 3.321 7 HA GLU 434 HA GLU 434 -7.596 5.779 0.427 8 HB2 GLU 434 HB2 GLU 434 -5.368 6.916 2.051 9 HB3 GLU 434 HB1 GLU 434 -5.945 7.387 0.461 10 HG2 GLU 434 HG2 GLU 434 -7.185 8.037 3.119 11 HG3 GLU 434 HG1 GLU 434 -6.400 9.147 1.999 12 H TRP 435 HN TRP 435 -6.969 3.775 2.932 13 HA TRP 435 HA TRP 435 -4.316 2.969 1.966 14 HB2 TRP 435 HB2 TRP 435 -5.586 2.219 4.603 15 HB3 TRP 435 HB1 TRP 435 -3.901 2.020 4.130 16 HD1 TRP 435 HD1 TRP 435 -5.562 4.004 6.461 17 HE1 TRP 435 HE1 TRP 435 -4.596 6.384 6.698 18 HE3 TRP 435 HE3 TRP 435 -2.872 4.236 2.131 19 HZ2 TRP 435 HZ2 TRP 435 -2.937 8.120 5.244 20 HZ3 TRP 435 HZ3 TRP 435 -1.637 6.288 1.630 21 HH2 TRP 435 HH2 TRP 435 -1.676 8.194 3.140 22 H THR 436 HN THR 436 -4.424 1.394 0.525 23 HA THR 436 HA THR 436 -6.172 -0.897 1.112 24 HB THR 436 HB THR 436 -4.834 -0.079 -1.474 25 HG1 THR 436 HG1 THR 436 -7.480 -0.041 -0.478 26 HG21 THR 436 HG21 THR 436 -5.935 -2.030 -2.491 27 HG22 THR 436 HG22 THR 436 -6.501 -2.539 -0.902 28 HG23 THR 436 HG23 THR 436 -4.772 -2.522 -1.258 29 H GLU 437 HN GLU 437 -5.196 -2.557 2.076 30 HA GLU 437 HA GLU 437 -2.325 -2.905 1.787 31 HB2 GLU 437 HB2 GLU 437 -2.713 -4.824 3.404 32 HB3 GLU 437 HB1 GLU 437 -3.060 -3.215 4.019 33 HG2 GLU 437 HG2 GLU 437 -5.441 -3.576 3.664 34 HG3 GLU 437 HG1 GLU 437 -5.106 -5.174 2.998 35 H ARG 438 HN ARG 438 -1.539 -4.042 0.158 36 HA ARG 438 HA ARG 438 -3.436 -5.764 -1.277 37 HB2 ARG 438 HB2 ARG 438 -1.047 -4.168 -2.219 38 HB3 ARG 438 HB1 ARG 438 -1.847 -5.383 -3.221 39 HG2 ARG 438 HG2 ARG 438 -3.959 -4.134 -3.002 40 HG3 ARG 438 HG1 ARG 438 -3.109 -2.911 -2.059 41 HD2 ARG 438 HD2 ARG 438 -3.333 -2.177 -4.349 42 HD3 ARG 438 HD1 ARG 438 -1.638 -2.477 -3.973 43 HE ARG 438 HE ARG 438 -2.334 -4.810 -5.067 44 HH11 ARG 438 HH11 ARG 438 -3.037 -1.535 -6.095 45 HH12 ARG 438 HH12 ARG 438 -3.013 -1.908 -7.792 46 HH21 ARG 438 HH21 ARG 438 -2.283 -5.326 -7.295 47 HH22 ARG 438 HH22 ARG 438 -2.602 -4.085 -8.468 48 H LYS 439 HN LYS 439 -3.180 -7.801 -0.796 49 HA LYS 439 HA LYS 439 -0.576 -8.720 0.085 50 HB2 LYS 439 HB2 LYS 439 -1.652 -10.698 0.940 51 HB3 LYS 439 HB1 LYS 439 -2.539 -9.286 1.480 52 HG2 LYS 439 HG2 LYS 439 -3.366 -11.077 -0.799 53 HG3 LYS 439 HG1 LYS 439 -3.982 -11.180 0.846 54 HD2 LYS 439 HD2 LYS 439 -4.239 -8.781 -0.961 55 HD3 LYS 439 HD1 LYS 439 -5.502 -9.979 -0.677 56 HE2 LYS 439 HE2 LYS 439 -5.578 -9.390 1.670 57 HE3 LYS 439 HE1 LYS 439 -4.239 -8.263 1.456 58 HZ1 LYS 439 HZ1 LYS 439 -6.869 -8.027 0.090 59 HZ2 LYS 439 HZ2 LYS 439 -5.602 -6.901 0.049 60 HZ3 LYS 439 HZ3 LYS 439 -6.439 -7.180 1.496 61 H THR 440 HN THR 440 0.575 -8.802 -1.752 62 HA THR 440 HA THR 440 -0.316 -10.537 -3.902 63 HB THR 440 HB THR 440 1.808 -9.949 -5.006 64 HG1 THR 440 HG1 THR 440 2.336 -8.784 -2.486 65 HG21 THR 440 HG21 THR 440 -0.132 -8.499 -5.313 66 HG22 THR 440 HG22 THR 440 1.364 -7.563 -5.321 67 HG23 THR 440 HG23 THR 440 0.330 -7.563 -3.891 68 H ALA 441 HN ALA 441 0.458 -12.527 -4.357 69 HA ALA 441 HA ALA 441 1.453 -14.083 -2.203 70 HB1 ALA 441 HB1 ALA 441 1.347 -15.945 -3.733 71 HB2 ALA 441 HB2 ALA 441 1.218 -14.847 -5.107 72 HB3 ALA 441 HB3 ALA 441 -0.088 -14.938 -3.924 73 H ASP 442 HN ASP 442 3.124 -11.935 -3.808 74 HA ASP 442 HA ASP 442 5.517 -13.398 -4.453 75 HB2 ASP 442 HB2 ASP 442 4.751 -11.213 -5.525 76 HB3 ASP 442 HB1 ASP 442 5.230 -10.419 -4.030 77 H GLY 443 HN GLY 443 4.015 -12.703 -1.647 78 HA2 GLY 443 HA2 GLY 443 4.824 -13.195 0.490 79 HA3 GLY 443 HA1 GLY 443 6.466 -13.022 -0.111 80 H LYS 444 HN LYS 444 4.106 -10.558 -0.799 81 HA LYS 444 HA LYS 444 4.905 -8.986 1.492 82 HB2 LYS 444 HB2 LYS 444 5.581 -7.031 0.059 83 HB3 LYS 444 HB1 LYS 444 6.713 -8.371 0.112 84 HG2 LYS 444 HG2 LYS 444 6.184 -9.035 -2.089 85 HG3 LYS 444 HG1 LYS 444 4.741 -8.014 -2.132 86 HD2 LYS 444 HD2 LYS 444 6.052 -6.024 -2.164 87 HD3 LYS 444 HD1 LYS 444 7.529 -6.917 -1.807 88 HE2 LYS 444 HE2 LYS 444 5.940 -7.426 -4.301 89 HE3 LYS 444 HE1 LYS 444 7.136 -6.134 -4.218 90 HZ1 LYS 444 HZ1 LYS 444 7.565 -9.056 -4.005 91 HZ2 LYS 444 HZ2 LYS 444 8.712 -7.956 -3.425 92 HZ3 LYS 444 HZ3 LYS 444 8.291 -7.953 -5.068 93 H THR 445 HN THR 445 3.305 -7.856 2.237 94 HA THR 445 HA THR 445 1.067 -7.120 0.478 95 HB THR 445 HB THR 445 1.203 -7.158 3.508 96 HG1 THR 445 HG1 THR 445 1.154 -9.207 2.010 97 HG21 THR 445 HG21 THR 445 -1.158 -6.841 1.646 98 HG22 THR 445 HG22 THR 445 -0.443 -5.563 2.629 99 HG23 THR 445 HG23 THR 445 -1.234 -6.934 3.406 100 H TYR 446 HN TYR 446 0.575 -4.892 0.191 101 HA TYR 446 HA TYR 446 2.361 -3.034 1.577 102 HB2 TYR 446 HB2 TYR 446 2.945 -1.949 -0.610 103 HB3 TYR 446 HB1 TYR 446 3.658 -3.534 -0.357 104 HD1 TYR 446 HD1 TYR 446 0.839 -1.817 -2.100 105 HD2 TYR 446 HD2 TYR 446 3.397 -5.214 -1.967 106 HE1 TYR 446 HE1 TYR 446 0.005 -2.521 -4.294 107 HE2 TYR 446 HE2 TYR 446 2.554 -5.935 -4.163 108 HH TYR 446 HH TYR 446 0.584 -3.873 -6.135 109 H TYR 447 HN TYR 447 1.689 -0.875 1.568 110 HA TYR 447 HA TYR 447 -1.204 -0.678 1.297 111 HB2 TYR 447 HB2 TYR 447 0.651 1.392 2.471 112 HB3 TYR 447 HB1 TYR 447 -1.077 1.209 2.751 113 HD1 TYR 447 HD1 TYR 447 -1.631 -1.338 3.642 114 HD2 TYR 447 HD2 TYR 447 1.974 0.841 4.251 115 HE1 TYR 447 HE1 TYR 447 -1.146 -2.701 5.629 116 HE2 TYR 447 HE2 TYR 447 2.464 -0.518 6.241 117 HH TYR 447 HH TYR 447 0.939 -1.870 7.951 118 H TYR 448 HN TYR 448 -1.902 -0.027 -0.646 119 HA TYR 448 HA TYR 448 -0.354 1.929 -2.136 120 HB2 TYR 448 HB2 TYR 448 -1.649 -0.087 -3.155 121 HB3 TYR 448 HB1 TYR 448 -3.072 0.930 -2.952 122 HD1 TYR 448 HD1 TYR 448 -3.310 3.013 -4.256 123 HD2 TYR 448 HD2 TYR 448 0.012 0.414 -4.813 124 HE1 TYR 448 HE1 TYR 448 -2.774 4.157 -6.364 125 HE2 TYR 448 HE2 TYR 448 0.557 1.552 -6.924 126 HH TYR 448 HH TYR 448 -0.717 4.517 -7.803 127 H ASN 449 HN ASN 449 -0.726 4.029 -2.099 128 HA ASN 449 HA ASN 449 -2.774 5.019 -0.285 129 HB2 ASN 449 HB2 ASN 449 -0.405 5.778 -0.108 130 HB3 ASN 449 HB1 ASN 449 -0.542 6.499 -1.705 131 HD21 ASN 449 HD21 ASN 449 0.085 7.721 0.846 132 HD22 ASN 449 HD22 ASN 449 -1.111 8.937 1.126 133 H ASN 450 HN ASN 450 -4.703 5.310 -1.173 134 HA ASN 450 HA ASN 450 -5.077 5.827 -3.957 135 HB2 ASN 450 HB2 ASN 450 -6.723 4.524 -2.777 136 HB3 ASN 450 HB1 ASN 450 -7.002 5.822 -1.624 137 HD21 ASN 450 HD21 ASN 450 -8.401 7.451 -2.137 138 HD22 ASN 450 HD22 ASN 450 -9.332 7.488 -3.596 139 H ARG 451 HN ARG 451 -4.435 7.831 -1.293 140 HA ARG 451 HA ARG 451 -5.939 10.091 -2.236 141 HB2 ARG 451 HB2 ARG 451 -5.578 9.711 0.162 142 HB3 ARG 451 HB1 ARG 451 -3.852 9.942 -0.071 143 HG2 ARG 451 HG2 ARG 451 -5.070 11.902 0.871 144 HG3 ARG 451 HG1 ARG 451 -4.141 12.238 -0.589 145 HD2 ARG 451 HD2 ARG 451 -6.396 13.294 -0.538 146 HD3 ARG 451 HD1 ARG 451 -6.125 12.244 -1.925 147 HE ARG 451 HE ARG 451 -7.335 10.630 -0.081 148 HH11 ARG 451 HH11 ARG 451 -8.139 13.708 -1.563 149 HH12 ARG 451 HH12 ARG 451 -9.852 13.420 -1.493 150 HH21 ARG 451 HH21 ARG 451 -9.564 10.252 -0.007 151 HH22 ARG 451 HH22 ARG 451 -10.667 11.471 -0.594 152 H THR 452 HN THR 452 -2.676 8.903 -2.575 153 HA THR 452 HA THR 452 -2.052 11.313 -4.163 154 HB THR 452 HB THR 452 0.100 9.516 -3.109 155 HG1 THR 452 HG1 THR 452 0.018 10.377 -1.145 156 HG21 THR 452 HG21 THR 452 -0.056 12.475 -3.694 157 HG22 THR 452 HG22 THR 452 0.727 11.250 -4.692 158 HG23 THR 452 HG23 THR 452 1.371 11.631 -3.095 159 H ALA 453 HN ALA 453 -2.792 8.078 -4.394 160 HA ALA 453 HA ALA 453 -2.611 6.455 -5.970 161 HB1 ALA 453 HB1 ALA 453 -2.071 7.048 -8.272 162 HB2 ALA 453 HB2 ALA 453 -1.491 8.627 -7.743 163 HB3 ALA 453 HB3 ALA 453 -3.197 8.215 -7.576 164 H GLU 454 HN GLU 454 -0.443 7.199 -4.120 165 HA GLU 454 HA GLU 454 1.983 6.391 -5.558 166 HB2 GLU 454 HB2 GLU 454 3.209 7.252 -3.659 167 HB3 GLU 454 HB1 GLU 454 2.037 8.462 -4.165 168 HG2 GLU 454 HG2 GLU 454 0.544 7.768 -2.356 169 HG3 GLU 454 HG1 GLU 454 1.727 6.565 -1.849 170 H SER 455 HN SER 455 3.255 4.628 -4.806 171 HA SER 455 HA SER 455 1.775 2.676 -3.239 172 HB2 SER 455 HB2 SER 455 3.844 1.234 -3.799 173 HB3 SER 455 HB1 SER 455 2.768 1.681 -5.122 174 HG SER 455 HG SER 455 4.220 3.117 -5.863 175 H THR 456 HN THR 456 1.962 2.630 -1.124 176 HA THR 456 HA THR 456 4.210 4.005 0.147 177 HB THR 456 HB THR 456 1.544 3.162 1.306 178 HG1 THR 456 HG1 THR 456 2.340 5.330 -0.188 179 HG21 THR 456 HG21 THR 456 2.101 4.682 3.140 180 HG22 THR 456 HG22 THR 456 3.670 5.004 2.402 181 HG23 THR 456 HG23 THR 456 3.294 3.392 3.005 182 H TRP 457 HN TRP 457 5.799 2.811 0.924 183 HA TRP 457 HA TRP 457 5.250 0.027 1.719 184 HB2 TRP 457 HB2 TRP 457 7.839 1.333 0.843 185 HB3 TRP 457 HB1 TRP 457 7.671 -0.355 1.322 186 HD1 TRP 457 HD1 TRP 457 6.884 2.036 -1.547 187 HE1 TRP 457 HE1 TRP 457 6.194 0.661 -3.613 188 HE3 TRP 457 HE3 TRP 457 6.657 -2.593 0.607 189 HZ2 TRP 457 HZ2 TRP 457 5.621 -2.030 -4.232 190 HZ3 TRP 457 HZ3 TRP 457 6.040 -4.515 -0.794 191 HH2 TRP 457 HH2 TRP 457 5.538 -4.241 -3.166 192 H GLU 458 HN GLU 458 5.498 2.941 3.037 193 HA GLU 458 HA GLU 458 7.090 2.125 5.349 194 HB2 GLU 458 HB2 GLU 458 6.786 4.568 5.996 195 HB3 GLU 458 HB1 GLU 458 7.762 4.244 4.571 196 HG2 GLU 458 HG2 GLU 458 5.468 4.584 3.334 197 HG3 GLU 458 HG1 GLU 458 5.081 5.497 4.793 198 H LYS 459 HN LYS 459 6.260 2.091 7.416 199 HA LYS 459 HA LYS 459 3.524 1.230 7.535 200 HB2 LYS 459 HB2 LYS 459 5.713 1.432 9.603 201 HB3 LYS 459 HB1 LYS 459 4.098 0.843 9.971 202 HG2 LYS 459 HG2 LYS 459 5.845 -0.380 7.851 203 HG3 LYS 459 HG1 LYS 459 5.842 -0.913 9.534 204 HD2 LYS 459 HD2 LYS 459 3.424 -1.365 9.361 205 HD3 LYS 459 HD1 LYS 459 3.476 -0.888 7.661 206 HE2 LYS 459 HE2 LYS 459 4.890 -2.723 7.111 207 HE3 LYS 459 HE1 LYS 459 5.158 -3.108 8.812 208 HZ1 LYS 459 HZ1 LYS 459 2.563 -3.323 7.376 209 HZ2 LYS 459 HZ2 LYS 459 2.821 -3.689 9.012 210 HZ3 LYS 459 HZ3 LYS 459 3.567 -4.624 7.806 211 HA PRO 460 HA PRO 460 2.121 5.188 9.157 212 HB2 PRO 460 HB2 PRO 460 -0.470 4.873 8.470 213 HB3 PRO 460 HB1 PRO 460 0.767 5.338 7.299 214 HG2 PRO 460 HG2 PRO 460 -0.633 2.764 7.634 215 HG3 PRO 460 HG1 PRO 460 0.139 3.448 6.195 216 HD2 PRO 460 HD2 PRO 460 1.191 1.481 7.980 217 HD3 PRO 460 HD1 PRO 460 1.992 2.221 6.583 Start of MODEL 20 1 H SER 433 HT1 SER 433 -9.519 5.575 5.068 2 HA SER 433 HA SER 433 -10.592 3.237 3.617 3 HB2 SER 433 HB2 SER 433 -11.505 6.122 3.499 4 HB3 SER 433 HB1 SER 433 -12.101 4.808 2.483 5 HG SER 433 HG SER 433 -13.000 3.837 4.272 6 H GLU 434 HN GLU 434 -8.035 5.268 3.950 7 HA GLU 434 HA GLU 434 -7.761 5.818 1.084 8 HB2 GLU 434 HB2 GLU 434 -6.325 6.922 3.497 9 HB3 GLU 434 HB1 GLU 434 -5.800 7.235 1.852 10 HG2 GLU 434 HG2 GLU 434 -7.069 9.098 2.640 11 HG3 GLU 434 HG1 GLU 434 -7.988 8.275 1.383 12 H TRP 435 HN TRP 435 -6.813 3.501 3.284 13 HA TRP 435 HA TRP 435 -4.279 3.039 1.862 14 HB2 TRP 435 HB2 TRP 435 -4.817 2.305 4.746 15 HB3 TRP 435 HB1 TRP 435 -3.268 2.279 3.900 16 HD1 TRP 435 HD1 TRP 435 -5.020 4.333 6.304 17 HE1 TRP 435 HE1 TRP 435 -4.221 6.785 6.273 18 HE3 TRP 435 HE3 TRP 435 -2.447 4.259 1.904 19 HZ2 TRP 435 HZ2 TRP 435 -2.691 8.465 4.571 20 HZ3 TRP 435 HZ3 TRP 435 -1.357 6.316 1.136 21 HH2 TRP 435 HH2 TRP 435 -1.481 8.378 2.422 22 H THR 436 HN THR 436 -4.668 1.447 0.500 23 HA THR 436 HA THR 436 -6.267 -0.851 1.276 24 HB THR 436 HB THR 436 -4.803 -0.210 -1.293 25 HG1 THR 436 HG1 THR 436 -7.495 0.016 -0.438 26 HG21 THR 436 HG21 THR 436 -4.906 -2.627 -1.001 27 HG22 THR 436 HG22 THR 436 -6.027 -2.120 -2.266 28 HG23 THR 436 HG23 THR 436 -6.636 -2.533 -0.663 29 H GLU 437 HN GLU 437 -5.407 -2.666 2.091 30 HA GLU 437 HA GLU 437 -2.520 -3.030 2.042 31 HB2 GLU 437 HB2 GLU 437 -3.024 -5.049 3.449 32 HB3 GLU 437 HB1 GLU 437 -3.564 -3.534 4.156 33 HG2 GLU 437 HG2 GLU 437 -5.829 -3.983 3.574 34 HG3 GLU 437 HG1 GLU 437 -5.362 -5.387 2.615 35 H ARG 438 HN ARG 438 -1.647 -3.985 0.272 36 HA ARG 438 HA ARG 438 -3.492 -5.631 -1.302 37 HB2 ARG 438 HB2 ARG 438 -0.913 -4.268 -2.130 38 HB3 ARG 438 HB1 ARG 438 -1.908 -5.273 -3.185 39 HG2 ARG 438 HG2 ARG 438 -3.789 -3.573 -2.447 40 HG3 ARG 438 HG1 ARG 438 -2.397 -2.538 -2.138 41 HD2 ARG 438 HD2 ARG 438 -2.979 -2.022 -4.332 42 HD3 ARG 438 HD1 ARG 438 -1.658 -3.175 -4.520 43 HE ARG 438 HE ARG 438 -4.221 -4.447 -4.506 44 HH11 ARG 438 HH11 ARG 438 -1.933 -2.730 -6.543 45 HH12 ARG 438 HH12 ARG 438 -2.574 -3.387 -8.023 46 HH21 ARG 438 HH21 ARG 438 -5.070 -5.279 -6.425 47 HH22 ARG 438 HH22 ARG 438 -4.392 -4.807 -7.958 48 H LYS 439 HN LYS 439 -3.346 -7.699 -1.089 49 HA LYS 439 HA LYS 439 -0.998 -8.825 0.195 50 HB2 LYS 439 HB2 LYS 439 -3.707 -10.007 -0.441 51 HB3 LYS 439 HB1 LYS 439 -2.398 -10.909 0.307 52 HG2 LYS 439 HG2 LYS 439 -3.618 -8.417 1.477 53 HG3 LYS 439 HG1 LYS 439 -4.094 -10.061 1.907 54 HD2 LYS 439 HD2 LYS 439 -1.835 -10.531 2.684 55 HD3 LYS 439 HD1 LYS 439 -1.316 -8.918 2.200 56 HE2 LYS 439 HE2 LYS 439 -1.714 -9.031 4.603 57 HE3 LYS 439 HE1 LYS 439 -2.848 -7.928 3.819 58 HZ1 LYS 439 HZ1 LYS 439 -3.517 -10.748 4.435 59 HZ2 LYS 439 HZ2 LYS 439 -4.576 -9.498 4.001 60 HZ3 LYS 439 HZ3 LYS 439 -3.818 -9.478 5.517 61 H THR 440 HN THR 440 0.503 -8.837 -1.342 62 HA THR 440 HA THR 440 0.043 -10.143 -3.894 63 HB THR 440 HB THR 440 2.770 -9.348 -2.977 64 HG1 THR 440 HG1 THR 440 1.796 -7.531 -2.297 65 HG21 THR 440 HG21 THR 440 2.357 -10.226 -5.254 66 HG22 THR 440 HG22 THR 440 2.985 -8.580 -5.267 67 HG23 THR 440 HG23 THR 440 1.267 -8.869 -5.553 68 H ALA 441 HN ALA 441 0.779 -12.141 -4.461 69 HA ALA 441 HA ALA 441 1.411 -13.983 -2.357 70 HB1 ALA 441 HB1 ALA 441 1.397 -15.678 -4.122 71 HB2 ALA 441 HB2 ALA 441 1.316 -14.406 -5.343 72 HB3 ALA 441 HB3 ALA 441 -0.023 -14.635 -4.219 73 H ASP 442 HN ASP 442 3.268 -11.798 -3.811 74 HA ASP 442 HA ASP 442 5.678 -13.351 -4.166 75 HB2 ASP 442 HB2 ASP 442 5.175 -11.297 -5.501 76 HB3 ASP 442 HB1 ASP 442 5.317 -10.344 -4.029 77 H GLY 443 HN GLY 443 3.941 -12.465 -1.557 78 HA2 GLY 443 HA2 GLY 443 4.527 -12.878 0.664 79 HA3 GLY 443 HA1 GLY 443 6.224 -12.847 0.202 80 H LYS 444 HN LYS 444 3.844 -10.347 -0.529 81 HA LYS 444 HA LYS 444 4.946 -8.619 1.517 82 HB2 LYS 444 HB2 LYS 444 5.503 -6.837 -0.180 83 HB3 LYS 444 HB1 LYS 444 6.589 -8.219 -0.137 84 HG2 LYS 444 HG2 LYS 444 5.388 -9.167 -2.078 85 HG3 LYS 444 HG1 LYS 444 4.415 -7.697 -2.150 86 HD2 LYS 444 HD2 LYS 444 6.286 -7.631 -3.740 87 HD3 LYS 444 HD1 LYS 444 6.417 -6.366 -2.520 88 HE2 LYS 444 HE2 LYS 444 8.204 -7.362 -1.472 89 HE3 LYS 444 HE1 LYS 444 7.773 -8.977 -2.034 90 HZ1 LYS 444 HZ1 LYS 444 8.662 -8.577 -4.118 91 HZ2 LYS 444 HZ2 LYS 444 9.788 -7.843 -3.080 92 HZ3 LYS 444 HZ3 LYS 444 8.666 -6.891 -3.926 93 H THR 445 HN THR 445 3.355 -7.581 2.391 94 HA THR 445 HA THR 445 0.963 -6.876 0.855 95 HB THR 445 HB THR 445 1.581 -6.521 3.802 96 HG1 THR 445 HG1 THR 445 1.407 -8.705 3.380 97 HG21 THR 445 HG21 THR 445 -0.107 -4.943 3.017 98 HG22 THR 445 HG22 THR 445 -0.843 -6.171 4.043 99 HG23 THR 445 HG23 THR 445 -1.024 -6.260 2.293 100 H TYR 446 HN TYR 446 0.512 -4.724 0.288 101 HA TYR 446 HA TYR 446 2.309 -2.711 1.378 102 HB2 TYR 446 HB2 TYR 446 2.818 -1.772 -0.853 103 HB3 TYR 446 HB1 TYR 446 3.534 -3.343 -0.570 104 HD1 TYR 446 HD1 TYR 446 0.661 -1.695 -2.293 105 HD2 TYR 446 HD2 TYR 446 3.267 -5.049 -2.133 106 HE1 TYR 446 HE1 TYR 446 -0.159 -2.426 -4.486 107 HE2 TYR 446 HE2 TYR 446 2.429 -5.807 -4.313 108 HH TYR 446 HH TYR 446 0.758 -3.887 -6.418 109 H TYR 447 HN TYR 447 1.534 -0.662 1.395 110 HA TYR 447 HA TYR 447 -1.358 -0.566 1.160 111 HB2 TYR 447 HB2 TYR 447 0.525 1.470 2.369 112 HB3 TYR 447 HB1 TYR 447 -1.230 1.438 2.527 113 HD1 TYR 447 HD1 TYR 447 -2.010 -1.129 3.272 114 HD2 TYR 447 HD2 TYR 447 1.603 0.861 4.312 115 HE1 TYR 447 HE1 TYR 447 -1.805 -2.562 5.256 116 HE2 TYR 447 HE2 TYR 447 1.818 -0.563 6.307 117 HH TYR 447 HH TYR 447 -0.071 -3.370 6.766 118 H TYR 448 HN TYR 448 -2.131 0.020 -0.720 119 HA TYR 448 HA TYR 448 -0.644 1.829 -2.426 120 HB2 TYR 448 HB2 TYR 448 -1.825 -0.233 -3.293 121 HB3 TYR 448 HB1 TYR 448 -3.349 0.574 -2.943 122 HD1 TYR 448 HD2 TYR 448 -0.290 0.733 -5.007 123 HD2 TYR 448 HD1 TYR 448 -4.242 2.203 -4.437 124 HE1 TYR 448 HE2 TYR 448 -0.205 1.804 -7.217 125 HE2 TYR 448 HE1 TYR 448 -4.166 3.281 -6.648 126 HH TYR 448 HH TYR 448 -2.613 4.045 -8.285 127 H ASN 449 HN ASN 449 -0.947 3.918 -2.446 128 HA ASN 449 HA ASN 449 -3.114 5.086 -0.895 129 HB2 ASN 449 HB2 ASN 449 -0.975 6.023 -0.424 130 HB3 ASN 449 HB1 ASN 449 -0.587 6.186 -2.133 131 HD21 ASN 449 HD21 ASN 449 -2.220 7.577 0.573 132 HD22 ASN 449 HD22 ASN 449 -2.618 9.078 -0.183 133 H ASN 450 HN ASN 450 -4.926 5.707 -1.818 134 HA ASN 450 HA ASN 450 -5.046 6.043 -4.713 135 HB2 ASN 450 HB2 ASN 450 -7.460 6.010 -4.446 136 HB3 ASN 450 HB1 ASN 450 -6.763 4.668 -3.545 137 HD21 ASN 450 HD21 ASN 450 -6.792 4.710 -1.302 138 HD22 ASN 450 HD22 ASN 450 -7.782 5.814 -0.420 139 H ARG 451 HN ARG 451 -4.416 7.983 -2.118 140 HA ARG 451 HA ARG 451 -6.087 10.210 -2.698 141 HB2 ARG 451 HB2 ARG 451 -3.617 9.971 -1.000 142 HB3 ARG 451 HB1 ARG 451 -4.553 11.450 -1.151 143 HG2 ARG 451 HG2 ARG 451 -5.598 8.828 -0.094 144 HG3 ARG 451 HG1 ARG 451 -5.102 10.206 0.887 145 HD2 ARG 451 HD2 ARG 451 -7.445 10.351 0.755 146 HD3 ARG 451 HD1 ARG 451 -6.844 11.551 -0.387 147 HE ARG 451 HE ARG 451 -7.768 8.883 -1.252 148 HH11 ARG 451 HH11 ARG 451 -7.752 12.378 -1.566 149 HH12 ARG 451 HH12 ARG 451 -8.793 12.373 -2.961 150 HH21 ARG 451 HH21 ARG 451 -9.122 8.877 -3.072 151 HH22 ARG 451 HH22 ARG 451 -9.576 10.379 -3.824 152 H THR 452 HN THR 452 -2.636 9.607 -3.166 153 HA THR 452 HA THR 452 -2.628 11.709 -5.243 154 HB THR 452 HB THR 452 -1.333 12.346 -3.210 155 HG1 THR 452 HG1 THR 452 -0.410 12.293 -5.766 156 HG21 THR 452 HG21 THR 452 -0.593 10.131 -2.506 157 HG22 THR 452 HG22 THR 452 0.786 11.205 -2.729 158 HG23 THR 452 HG23 THR 452 0.408 9.995 -3.952 159 H ALA 453 HN ALA 453 -2.609 8.505 -4.836 160 HA ALA 453 HA ALA 453 -1.967 6.679 -5.985 161 HB1 ALA 453 HB1 ALA 453 -1.072 8.639 -8.096 162 HB2 ALA 453 HB2 ALA 453 -2.649 7.857 -7.988 163 HB3 ALA 453 HB3 ALA 453 -1.210 6.893 -8.308 164 H GLU 454 HN GLU 454 -0.494 6.135 -4.423 165 HA GLU 454 HA GLU 454 2.296 6.296 -5.202 166 HB2 GLU 454 HB2 GLU 454 1.954 8.332 -3.873 167 HB3 GLU 454 HB1 GLU 454 1.283 7.377 -2.561 168 HG2 GLU 454 HG2 GLU 454 3.594 8.076 -2.149 169 HG3 GLU 454 HG1 GLU 454 3.407 6.324 -2.176 170 H SER 455 HN SER 455 3.480 4.572 -4.448 171 HA SER 455 HA SER 455 1.984 2.501 -3.057 172 HB2 SER 455 HB2 SER 455 4.048 1.119 -3.548 173 HB3 SER 455 HB1 SER 455 3.181 1.704 -4.963 174 HG SER 455 HG SER 455 5.232 3.304 -3.948 175 H THR 456 HN THR 456 1.951 2.609 -0.941 176 HA THR 456 HA THR 456 4.144 3.882 0.498 177 HB THR 456 HB THR 456 1.492 2.910 1.577 178 HG1 THR 456 HG1 THR 456 0.935 4.481 0.162 179 HG21 THR 456 HG21 THR 456 3.186 3.280 3.296 180 HG22 THR 456 HG22 THR 456 1.938 4.524 3.381 181 HG23 THR 456 HG23 THR 456 3.503 4.892 2.654 182 H TRP 457 HN TRP 457 5.763 2.578 1.005 183 HA TRP 457 HA TRP 457 5.165 -0.198 1.785 184 HB2 TRP 457 HB2 TRP 457 7.694 1.073 0.721 185 HB3 TRP 457 HB1 TRP 457 7.621 -0.575 1.342 186 HD1 TRP 457 HD1 TRP 457 6.429 1.571 -1.605 187 HE1 TRP 457 HE1 TRP 457 5.710 0.005 -3.518 188 HE3 TRP 457 HE3 TRP 457 6.813 -2.916 0.824 189 HZ2 TRP 457 HZ2 TRP 457 5.325 -2.750 -3.930 190 HZ3 TRP 457 HZ3 TRP 457 6.259 -4.974 -0.408 191 HH2 TRP 457 HH2 TRP 457 5.539 -4.895 -2.742 192 H GLU 458 HN GLU 458 5.751 2.741 3.079 193 HA GLU 458 HA GLU 458 7.304 1.819 5.357 194 HB2 GLU 458 HB2 GLU 458 7.045 4.197 6.111 195 HB3 GLU 458 HB1 GLU 458 7.843 4.016 4.557 196 HG2 GLU 458 HG2 GLU 458 5.450 4.377 3.601 197 HG3 GLU 458 HG1 GLU 458 5.135 5.084 5.185 198 H LYS 459 HN LYS 459 6.478 1.520 7.395 199 HA LYS 459 HA LYS 459 3.618 0.981 7.451 200 HB2 LYS 459 HB2 LYS 459 5.126 -0.777 8.185 201 HB3 LYS 459 HB1 LYS 459 5.839 0.291 9.384 202 HG2 LYS 459 HG2 LYS 459 4.300 -1.305 10.396 203 HG3 LYS 459 HG1 LYS 459 3.739 0.354 10.602 204 HD2 LYS 459 HD2 LYS 459 2.134 0.084 8.823 205 HD3 LYS 459 HD1 LYS 459 2.763 -1.524 8.455 206 HE2 LYS 459 HE2 LYS 459 2.028 -2.354 10.592 207 HE3 LYS 459 HE1 LYS 459 1.540 -0.735 11.094 208 HZ1 LYS 459 HZ1 LYS 459 0.348 -2.143 8.765 209 HZ2 LYS 459 HZ2 LYS 459 -0.210 -0.729 9.521 210 HZ3 LYS 459 HZ3 LYS 459 -0.300 -2.213 10.330 211 HA PRO 460 HA PRO 460 3.109 4.702 9.924 212 HB2 PRO 460 HB2 PRO 460 0.481 5.012 9.411 213 HB3 PRO 460 HB1 PRO 460 1.731 5.471 8.247 214 HG2 PRO 460 HG2 PRO 460 -0.092 3.129 8.250 215 HG3 PRO 460 HG1 PRO 460 0.619 4.003 6.883 216 HD2 PRO 460 HD2 PRO 460 1.500 1.558 7.972 217 HD3 PRO 460 HD1 PRO 460 2.359 2.561 6.788
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