NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582026 | 2mpt | 25000 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PHE 478 HT1 PHE 478 -10.392 11.433 -0.432 2 HA PHE 478 HA PHE 478 -12.670 9.756 0.441 3 HB2 PHE 478 HB2 PHE 478 -11.150 9.834 -2.176 4 HB3 PHE 478 HB1 PHE 478 -12.380 8.647 -1.758 5 HD1 PHE 478 HD2 PHE 478 -14.717 9.612 -1.139 6 HD2 PHE 478 HD1 PHE 478 -11.747 11.750 -3.309 7 HE1 PHE 478 HE2 PHE 478 -16.454 11.102 -2.040 8 HE2 PHE 478 HE1 PHE 478 -13.480 13.245 -4.214 9 HZ PHE 478 HZ PHE 478 -15.835 12.921 -3.580 10 H LEU 479 HN LEU 479 -9.246 9.937 -0.418 11 HA LEU 479 HA LEU 479 -8.850 7.358 0.945 12 HB2 LEU 479 HB2 LEU 479 -8.173 7.564 -1.481 13 HB3 LEU 479 HB1 LEU 479 -6.970 8.733 -0.975 14 HG LEU 479 HG LEU 479 -5.818 7.027 0.336 15 HD11 LEU 479 HD11 LEU 479 -7.939 5.138 -0.685 16 HD12 LEU 479 HD12 LEU 479 -7.768 5.690 0.982 17 HD13 LEU 479 HD13 LEU 479 -6.511 4.690 0.252 18 HD21 LEU 479 HD21 LEU 479 -5.049 5.631 -1.517 19 HD22 LEU 479 HD22 LEU 479 -5.226 7.314 -2.015 20 HD23 LEU 479 HD23 LEU 479 -6.446 6.126 -2.473 21 HA PRO 480 HA PRO 480 -7.371 9.773 4.377 22 HB2 PRO 480 HB2 PRO 480 -5.899 7.204 4.800 23 HB3 PRO 480 HB1 PRO 480 -6.795 8.170 5.969 24 HG2 PRO 480 HG2 PRO 480 -7.897 6.002 5.009 25 HG3 PRO 480 HG1 PRO 480 -8.868 7.489 5.077 26 HD2 PRO 480 HD2 PRO 480 -7.486 6.237 2.729 27 HD3 PRO 480 HD1 PRO 480 -9.094 6.965 2.828 28 HA PRO 481 HA PRO 481 -3.520 11.472 2.976 29 HB2 PRO 481 HB2 PRO 481 -2.652 12.268 5.509 30 HB3 PRO 481 HB1 PRO 481 -3.638 13.228 4.404 31 HG2 PRO 481 HG2 PRO 481 -4.474 11.570 6.736 32 HG3 PRO 481 HG1 PRO 481 -5.128 13.115 6.161 33 HD2 PRO 481 HD2 PRO 481 -6.417 10.812 5.722 34 HD3 PRO 481 HD1 PRO 481 -6.393 12.099 4.497 35 H GLY 482 HN GLY 482 -1.872 10.251 2.438 36 HA2 GLY 482 HA2 GLY 482 0.180 9.191 2.956 37 HA3 GLY 482 HA1 GLY 482 -0.461 8.732 4.515 38 H TRP 483 HN TRP 483 -3.002 7.930 2.875 39 HA TRP 483 HA TRP 483 -2.025 5.212 2.483 40 HB2 TRP 483 HB2 TRP 483 -4.794 6.393 2.620 41 HB3 TRP 483 HB1 TRP 483 -4.501 4.718 2.151 42 HD1 TRP 483 HD1 TRP 483 -4.125 7.081 5.158 43 HE1 TRP 483 HE1 TRP 483 -3.964 5.662 7.307 44 HE3 TRP 483 HE3 TRP 483 -3.951 2.416 3.035 45 HZ2 TRP 483 HZ2 TRP 483 -3.803 2.919 7.995 46 HZ3 TRP 483 HZ3 TRP 483 -3.789 0.466 4.505 47 HH2 TRP 483 HH2 TRP 483 -3.713 0.707 6.934 48 H GLU 484 HN GLU 484 -1.764 4.276 0.602 49 HA GLU 484 HA GLU 484 -2.618 5.710 -1.809 50 HB2 GLU 484 HB2 GLU 484 0.031 5.420 -0.799 51 HB3 GLU 484 HB1 GLU 484 -0.107 4.493 -2.279 52 HG2 GLU 484 HG2 GLU 484 -0.711 7.400 -1.920 53 HG3 GLU 484 HG1 GLU 484 0.664 6.707 -2.772 54 H MET 485 HN MET 485 -3.345 4.461 -3.403 55 HA MET 485 HA MET 485 -3.323 1.552 -2.984 56 HB2 MET 485 HB2 MET 485 -5.079 3.294 -4.729 57 HB3 MET 485 HB1 MET 485 -5.142 1.541 -4.712 58 HG2 MET 485 HG2 MET 485 -5.715 1.588 -2.380 59 HG3 MET 485 HG1 MET 485 -5.644 3.345 -2.371 60 HE1 MET 485 HE1 MET 485 -7.356 4.913 -3.622 61 HE2 MET 485 HE2 MET 485 -8.646 4.325 -4.671 62 HE3 MET 485 HE3 MET 485 -6.959 4.116 -5.144 63 H ARG 486 HN ARG 486 -1.682 0.624 -3.925 64 HA ARG 486 HA ARG 486 -0.871 1.504 -6.614 65 HB2 ARG 486 HB2 ARG 486 0.910 1.113 -4.207 66 HB3 ARG 486 HB1 ARG 486 1.520 1.209 -5.855 67 HG2 ARG 486 HG2 ARG 486 -0.149 3.366 -4.594 68 HG3 ARG 486 HG1 ARG 486 1.615 3.336 -4.527 69 HD2 ARG 486 HD2 ARG 486 -0.005 3.294 -7.071 70 HD3 ARG 486 HD1 ARG 486 0.712 4.744 -6.365 71 HE ARG 486 HE ARG 486 2.806 3.037 -6.581 72 HH11 ARG 486 HH11 ARG 486 0.447 4.289 -8.854 73 HH12 ARG 486 HH12 ARG 486 1.519 4.134 -10.215 74 HH21 ARG 486 HH21 ARG 486 4.209 2.876 -8.377 75 HH22 ARG 486 HH22 ARG 486 3.624 3.330 -9.946 76 H ILE 487 HN ILE 487 0.191 -0.098 -7.870 77 HA ILE 487 HA ILE 487 -0.362 -2.807 -6.867 78 HB ILE 487 HB ILE 487 -0.660 -3.525 -9.199 79 HG12 ILE 487 HG12 ILE 487 -1.185 -1.407 -10.759 80 HG13 ILE 487 HG11 ILE 487 0.072 -0.696 -9.753 81 HG21 ILE 487 HG21 ILE 487 -2.599 -2.922 -7.892 82 HG22 ILE 487 HG22 ILE 487 -2.835 -2.465 -9.579 83 HG23 ILE 487 HG23 ILE 487 -2.434 -1.236 -8.379 84 HD11 ILE 487 HD11 ILE 487 0.340 -3.212 -11.387 85 HD12 ILE 487 HD12 ILE 487 1.602 -2.478 -10.397 86 HD13 ILE 487 HD13 ILE 487 0.983 -1.624 -11.810 87 H ALA 488 HN ALA 488 1.107 -4.409 -7.184 88 HA ALA 488 HA ALA 488 3.813 -3.618 -7.909 89 HB1 ALA 488 HB1 ALA 488 2.735 -6.263 -6.927 90 HB2 ALA 488 HB2 ALA 488 3.490 -5.019 -5.929 91 HB3 ALA 488 HB3 ALA 488 4.437 -5.863 -7.155 92 HA PRO 489 HA PRO 489 3.660 -4.865 -12.109 93 HB2 PRO 489 HB2 PRO 489 6.214 -6.321 -11.701 94 HB3 PRO 489 HB1 PRO 489 5.821 -5.022 -12.833 95 HG2 PRO 489 HG2 PRO 489 7.315 -4.548 -10.679 96 HG3 PRO 489 HG1 PRO 489 6.120 -3.366 -11.243 97 HD2 PRO 489 HD2 PRO 489 5.955 -5.284 -8.953 98 HD3 PRO 489 HD1 PRO 489 5.389 -3.604 -9.060 99 H ASN 490 HN ASN 490 3.545 -7.162 -9.665 100 HA ASN 490 HA ASN 490 3.285 -9.419 -11.497 101 HB2 ASN 490 HB2 ASN 490 4.570 -9.750 -9.421 102 HB3 ASN 490 HB1 ASN 490 3.148 -9.331 -8.474 103 HD21 ASN 490 HD21 ASN 490 4.416 -11.659 -10.794 104 HD22 ASN 490 HD22 ASN 490 3.424 -12.986 -10.275 105 H GLY 491 HN GLY 491 1.374 -6.981 -10.354 106 HA2 GLY 491 HA2 GLY 491 -0.872 -6.744 -11.060 107 HA3 GLY 491 HA1 GLY 491 -1.020 -8.491 -11.098 108 H ARG 492 HN ARG 492 0.491 -7.377 -8.291 109 HA ARG 492 HA ARG 492 -1.958 -7.884 -6.778 110 HB2 ARG 492 HB2 ARG 492 -0.234 -7.856 -4.824 111 HB3 ARG 492 HB1 ARG 492 -0.372 -9.269 -5.837 112 HG2 ARG 492 HG2 ARG 492 1.576 -8.462 -7.146 113 HG3 ARG 492 HG1 ARG 492 1.737 -7.130 -5.998 114 HD2 ARG 492 HD2 ARG 492 2.123 -8.685 -4.187 115 HD3 ARG 492 HD1 ARG 492 1.824 -10.054 -5.256 116 HE ARG 492 HE ARG 492 3.914 -8.619 -6.378 117 HH11 ARG 492 HH11 ARG 492 3.329 -10.310 -3.362 118 HH12 ARG 492 HH12 ARG 492 4.989 -10.793 -3.162 119 HH21 ARG 492 HH21 ARG 492 6.090 -9.259 -6.118 120 HH22 ARG 492 HH22 ARG 492 6.547 -10.204 -4.732 121 HA PRO 493 HA PRO 493 -2.002 -3.510 -5.812 122 HB2 PRO 493 HB2 PRO 493 -4.563 -3.408 -5.043 123 HB3 PRO 493 HB1 PRO 493 -4.121 -3.604 -6.741 124 HG2 PRO 493 HG2 PRO 493 -5.177 -5.606 -4.820 125 HG3 PRO 493 HG1 PRO 493 -5.399 -5.501 -6.574 126 HD2 PRO 493 HD2 PRO 493 -3.574 -7.159 -5.182 127 HD3 PRO 493 HD1 PRO 493 -3.646 -6.888 -6.933 128 H PHE 494 HN PHE 494 -1.585 -2.411 -3.965 129 HA PHE 494 HA PHE 494 -2.413 -3.545 -1.408 130 HB2 PHE 494 HB2 PHE 494 -0.124 -3.182 -0.470 131 HB3 PHE 494 HB1 PHE 494 -0.225 -4.479 -1.643 132 HD1 PHE 494 HD1 PHE 494 0.461 -0.786 -1.687 133 HD2 PHE 494 HD2 PHE 494 1.528 -4.665 -3.073 134 HE1 PHE 494 HE1 PHE 494 2.356 0.200 -2.934 135 HE2 PHE 494 HE2 PHE 494 3.410 -3.701 -4.322 136 HZ PHE 494 HZ PHE 494 3.826 -1.276 -4.262 137 H PHE 495 HN PHE 495 -2.600 -2.073 0.272 138 HA PHE 495 HA PHE 495 -2.522 0.753 -0.464 139 HB2 PHE 495 HB2 PHE 495 -3.526 -0.454 2.130 140 HB3 PHE 495 HB1 PHE 495 -3.787 1.180 1.548 141 HD1 PHE 495 HD1 PHE 495 -5.118 1.476 -0.577 142 HD2 PHE 495 HD2 PHE 495 -5.085 -2.129 1.667 143 HE1 PHE 495 HE1 PHE 495 -7.226 0.800 -1.659 144 HE2 PHE 495 HE2 PHE 495 -7.193 -2.822 0.603 145 HZ PHE 495 HZ PHE 495 -8.269 -1.355 -1.061 146 H ILE 496 HN ILE 496 -0.699 1.827 -0.049 147 HA ILE 496 HA ILE 496 0.982 0.927 2.181 148 HB ILE 496 HB ILE 496 1.623 2.681 -0.192 149 HG12 ILE 496 HG12 ILE 496 2.694 0.053 0.857 150 HG13 ILE 496 HG11 ILE 496 1.813 0.325 -0.638 151 HG21 ILE 496 HG21 ILE 496 2.607 3.729 1.774 152 HG22 ILE 496 HG22 ILE 496 3.862 3.001 0.770 153 HG23 ILE 496 HG23 ILE 496 3.337 2.196 2.249 154 HD11 ILE 496 HD11 ILE 496 4.576 1.333 -0.014 155 HD12 ILE 496 HD12 ILE 496 3.691 1.610 -1.515 156 HD13 ILE 496 HD13 ILE 496 4.170 -0.026 -1.063 157 H ASP 497 HN ASP 497 0.813 1.972 4.021 158 HA ASP 497 HA ASP 497 -0.278 4.667 4.024 159 HB2 ASP 497 HB2 ASP 497 -0.057 4.447 6.517 160 HB3 ASP 497 HB1 ASP 497 -1.201 3.352 5.738 161 H HIS 498 HN HIS 498 0.916 6.332 3.962 162 HA HIS 498 HA HIS 498 3.755 5.946 3.772 163 HB2 HIS 498 HB2 HIS 498 1.950 8.226 3.054 164 HB3 HIS 498 HB1 HIS 498 3.703 8.423 3.072 165 HD1 HIS 498 HD1 HIS 498 5.063 7.221 1.257 166 HD2 HIS 498 HD2 HIS 498 0.952 6.566 0.983 167 HE1 HIS 498 HE1 HIS 498 4.716 5.926 -0.875 168 HE2 HIS 498 HE2 HIS 498 2.208 5.778 -1.132 169 H ASN 499 HN ASN 499 1.674 7.096 6.254 170 HA ASN 499 HA ASN 499 3.708 8.793 7.403 171 HB2 ASN 499 HB2 ASN 499 2.173 8.950 9.366 172 HB3 ASN 499 HB1 ASN 499 1.425 9.418 7.855 173 HD21 ASN 499 HD21 ASN 499 -0.286 8.224 7.046 174 HD22 ASN 499 HD22 ASN 499 -1.047 6.968 7.953 175 H THR 500 HN THR 500 2.202 5.721 8.353 176 HA THR 500 HA THR 500 4.356 5.087 10.122 177 HB THR 500 HB THR 500 3.066 2.797 10.099 178 HG1 THR 500 HG1 THR 500 1.668 3.211 8.364 179 HG21 THR 500 HG21 THR 500 3.172 4.343 11.980 180 HG22 THR 500 HG22 THR 500 1.523 3.751 11.776 181 HG23 THR 500 HG23 THR 500 1.954 5.374 11.223 182 H LYS 501 HN LYS 501 4.002 4.965 6.840 183 HA LYS 501 HA LYS 501 4.879 3.871 5.092 184 HB2 LYS 501 HB2 LYS 501 7.313 3.547 5.099 185 HB3 LYS 501 HB1 LYS 501 6.828 5.121 5.691 186 HG2 LYS 501 HG2 LYS 501 7.400 4.566 7.913 187 HG3 LYS 501 HG1 LYS 501 7.556 2.852 7.520 188 HD2 LYS 501 HD2 LYS 501 9.743 3.989 7.754 189 HD3 LYS 501 HD1 LYS 501 9.496 3.294 6.152 190 HE2 LYS 501 HE2 LYS 501 10.439 5.428 5.793 191 HE3 LYS 501 HE1 LYS 501 8.725 5.588 5.417 192 HZ1 LYS 501 HZ1 LYS 501 9.368 7.459 6.699 193 HZ2 LYS 501 HZ2 LYS 501 10.125 6.495 7.870 194 HZ3 LYS 501 HZ3 LYS 501 8.437 6.471 7.720 195 H THR 502 HN THR 502 3.291 2.150 6.227 196 HA THR 502 HA THR 502 4.802 -0.388 6.202 197 HB THR 502 HB THR 502 2.128 0.119 7.523 198 HG1 THR 502 HG1 THR 502 4.208 1.172 8.370 199 HG21 THR 502 HG21 THR 502 2.582 -2.005 8.665 200 HG22 THR 502 HG22 THR 502 4.079 -2.177 7.750 201 HG23 THR 502 HG23 THR 502 2.527 -2.219 6.915 202 H THR 503 HN THR 503 3.916 -2.127 5.026 203 HA THR 503 HA THR 503 2.114 -1.374 2.870 204 HB THR 503 HB THR 503 2.692 -3.749 2.079 205 HG1 THR 503 HG1 THR 503 3.498 -4.497 4.094 206 HG21 THR 503 HG21 THR 503 4.893 -3.035 1.221 207 HG22 THR 503 HG22 THR 503 4.883 -1.687 2.358 208 HG23 THR 503 HG23 THR 503 3.680 -1.762 1.071 209 H THR 504 HN THR 504 0.002 -1.759 3.008 210 HA THR 504 HA THR 504 -0.935 -3.929 4.773 211 HB THR 504 HB THR 504 -2.457 -1.432 3.987 212 HG1 THR 504 HG1 THR 504 -1.047 -0.578 5.377 213 HG21 THR 504 HG21 THR 504 -2.960 -3.511 6.122 214 HG22 THR 504 HG22 THR 504 -3.870 -3.327 4.622 215 HG23 THR 504 HG23 THR 504 -3.929 -2.061 5.848 216 H TRP 505 HN TRP 505 -2.081 -5.534 3.829 217 HA TRP 505 HA TRP 505 -2.526 -5.369 0.957 218 HB2 TRP 505 HB2 TRP 505 -2.555 -7.620 2.941 219 HB3 TRP 505 HB1 TRP 505 -3.240 -7.828 1.336 220 HD1 TRP 505 HD1 TRP 505 -0.004 -7.960 3.181 221 HE1 TRP 505 HE1 TRP 505 1.910 -8.426 1.523 222 HE3 TRP 505 HE3 TRP 505 -2.488 -7.137 -1.203 223 HZ2 TRP 505 HZ2 TRP 505 2.317 -8.450 -1.260 224 HZ3 TRP 505 HZ3 TRP 505 -1.272 -7.413 -3.318 225 HH2 TRP 505 HH2 TRP 505 1.087 -8.059 -3.348 226 H GLU 506 HN GLU 506 -4.375 -5.703 3.923 227 HA GLU 506 HA GLU 506 -6.849 -5.921 2.357 228 HB2 GLU 506 HB2 GLU 506 -7.884 -6.615 4.529 229 HB3 GLU 506 HB1 GLU 506 -6.646 -7.710 3.937 230 HG2 GLU 506 HG2 GLU 506 -6.035 -5.584 5.962 231 HG3 GLU 506 HG1 GLU 506 -6.671 -7.160 6.425 232 H ASP 507 HN ASP 507 -8.625 -4.687 2.778 233 HA ASP 507 HA ASP 507 -7.944 -2.002 3.266 234 HB2 ASP 507 HB2 ASP 507 -10.302 -1.500 2.835 235 HB3 ASP 507 HB1 ASP 507 -9.672 -2.614 1.631 236 HA PRO 508 HA PRO 508 -8.377 -2.261 7.670 237 HB2 PRO 508 HB2 PRO 508 -8.061 0.638 7.715 238 HB3 PRO 508 HB1 PRO 508 -6.965 -0.613 8.300 239 HG2 PRO 508 HG2 PRO 508 -6.449 0.924 6.117 240 HG3 PRO 508 HG1 PRO 508 -5.823 -0.720 6.319 241 HD2 PRO 508 HD2 PRO 508 -8.109 0.255 4.663 242 HD3 PRO 508 HD1 PRO 508 -6.919 -1.014 4.312 243 H ARG 509 HN ARG 509 -10.295 -0.311 5.591 244 HA ARG 509 HA ARG 509 -12.383 0.523 5.671 245 HB2 ARG 509 HB2 ARG 509 -13.042 -1.688 6.449 246 HB3 ARG 509 HB1 ARG 509 -12.663 -1.245 8.105 247 HG2 ARG 509 HG2 ARG 509 -15.072 -1.220 7.655 248 HG3 ARG 509 HG1 ARG 509 -14.465 0.363 8.136 249 HD2 ARG 509 HD2 ARG 509 -14.768 -0.388 5.243 250 HD3 ARG 509 HD1 ARG 509 -16.129 0.232 6.176 251 HE ARG 509 HE ARG 509 -13.770 1.881 6.337 252 HH11 ARG 509 HH11 ARG 509 -16.644 1.184 4.436 253 HH12 ARG 509 HH12 ARG 509 -16.729 2.793 3.774 254 HH21 ARG 509 HH21 ARG 509 -13.896 3.969 5.458 255 HH22 ARG 509 HH22 ARG 509 -15.184 4.369 4.362 256 H1 ARG 925 HT1 ARG 925 -1.434 -17.960 2.967 257 H2 ARG 925 HT2 ARG 925 0.096 -17.907 2.248 258 H3 ARG 925 HT3 ARG 925 -1.293 -17.751 1.290 259 HA ARG 925 HA ARG 925 -1.840 -15.675 2.389 260 HB2 ARG 925 HB2 ARG 925 -0.653 -16.291 4.516 261 HB3 ARG 925 HB1 ARG 925 0.872 -16.000 3.693 262 HG2 ARG 925 HG2 ARG 925 0.223 -14.099 5.071 263 HG3 ARG 925 HG1 ARG 925 0.266 -13.666 3.358 264 HD2 ARG 925 HD2 ARG 925 -2.132 -13.834 3.209 265 HD3 ARG 925 HD1 ARG 925 -2.232 -14.428 4.866 266 HE ARG 925 HE ARG 925 -1.026 -12.033 5.161 267 HH11 ARG 925 HH11 ARG 925 -3.900 -12.986 3.401 268 HH12 ARG 925 HH12 ARG 925 -4.754 -11.508 3.745 269 HH21 ARG 925 HH21 ARG 925 -2.103 -10.096 5.581 270 HH22 ARG 925 HH22 ARG 925 -3.724 -9.845 4.994 271 H LEU 926 HN LEU 926 -1.508 -14.086 0.965 272 HA LEU 926 HA LEU 926 0.258 -14.355 -1.183 273 HB2 LEU 926 HB2 LEU 926 -0.235 -11.720 -1.270 274 HB3 LEU 926 HB1 LEU 926 -1.363 -12.937 -1.825 275 HG LEU 926 HG LEU 926 -2.469 -12.815 0.437 276 HD11 LEU 926 HD11 LEU 926 -0.628 -11.827 1.692 277 HD12 LEU 926 HD12 LEU 926 -2.073 -10.820 1.786 278 HD13 LEU 926 HD13 LEU 926 -0.744 -10.361 0.721 279 HD21 LEU 926 HD21 LEU 926 -3.406 -11.724 -1.520 280 HD22 LEU 926 HD22 LEU 926 -2.394 -10.308 -1.233 281 HD23 LEU 926 HD23 LEU 926 -3.657 -10.738 -0.079 282 H ASP 927 HN ASP 927 2.290 -13.889 -1.496 283 HA ASP 927 HA ASP 927 4.113 -13.356 0.512 284 HB2 ASP 927 HB2 ASP 927 4.936 -14.341 -1.461 285 HB3 ASP 927 HB1 ASP 927 4.232 -13.094 -2.482 286 H LEU 928 HN LEU 928 4.629 -11.591 1.618 287 HA LEU 928 HA LEU 928 3.980 -8.963 0.478 288 HB2 LEU 928 HB2 LEU 928 3.054 -9.439 2.720 289 HB3 LEU 928 HB1 LEU 928 4.672 -9.731 3.323 290 HG LEU 928 HG LEU 928 4.208 -7.071 2.098 291 HD11 LEU 928 HD11 LEU 928 3.039 -7.843 4.768 292 HD12 LEU 928 HD12 LEU 928 2.142 -7.321 3.340 293 HD13 LEU 928 HD13 LEU 928 3.216 -6.195 4.168 294 HD21 LEU 928 HD21 LEU 928 5.618 -6.366 3.968 295 HD22 LEU 928 HD22 LEU 928 6.365 -7.683 3.062 296 HD23 LEU 928 HD23 LEU 928 5.587 -8.008 4.611 297 HA PRO 929 HA PRO 929 8.426 -8.555 -0.019 298 HB2 PRO 929 HB2 PRO 929 7.994 -6.241 -1.611 299 HB3 PRO 929 HB1 PRO 929 8.333 -7.876 -2.177 300 HG2 PRO 929 HG2 PRO 929 5.939 -6.486 -2.539 301 HG3 PRO 929 HG1 PRO 929 6.167 -8.230 -2.740 302 HD2 PRO 929 HD2 PRO 929 5.013 -6.719 -0.448 303 HD3 PRO 929 HD1 PRO 929 4.589 -8.327 -1.075 304 HA PRO 930 HA PRO 930 9.171 -5.600 3.268 305 HB2 PRO 930 HB2 PRO 930 11.765 -5.008 2.335 306 HB3 PRO 930 HB1 PRO 930 11.338 -6.208 3.555 307 HG2 PRO 930 HG2 PRO 930 11.897 -6.568 0.657 308 HG3 PRO 930 HG1 PRO 930 12.230 -7.659 2.014 309 HD2 PRO 930 HD2 PRO 930 10.221 -8.130 0.309 310 HD3 PRO 930 HD1 PRO 930 10.060 -8.485 2.044 311 H TYR 931 HN TYR 931 8.653 -3.506 3.345 312 HA TYR 931 HA TYR 931 7.695 -2.205 1.105 313 HB2 TYR 931 HB2 TYR 931 6.827 -1.517 3.169 314 HB3 TYR 931 HB1 TYR 931 8.421 -1.260 3.862 315 HD1 TYR 931 HD2 TYR 931 6.007 0.162 1.375 316 HD2 TYR 931 HD1 TYR 931 9.396 0.858 3.862 317 HE1 TYR 931 HE2 TYR 931 5.856 2.562 0.909 318 HE2 TYR 931 HE1 TYR 931 9.246 3.261 3.394 319 HH TYR 931 HH TYR 931 6.555 4.696 1.982 320 H GLU 932 HN GLU 932 8.694 -1.451 -0.558 321 HA GLU 932 HA GLU 932 11.162 0.119 -0.245 322 HB2 GLU 932 HB2 GLU 932 11.255 -1.747 -1.887 323 HB3 GLU 932 HB1 GLU 932 9.883 -1.049 -2.736 324 HG2 GLU 932 HG2 GLU 932 11.260 0.988 -3.134 325 HG3 GLU 932 HG1 GLU 932 12.634 0.123 -2.447 326 H THR 933 HN THR 933 11.062 2.342 -0.835 327 HA THR 933 HA THR 933 8.344 3.308 -0.999 328 HB THR 933 HB THR 933 10.847 4.999 -1.074 329 HG1 THR 933 HG1 THR 933 9.223 4.356 1.189 330 HG21 THR 933 HG21 THR 933 7.949 5.591 -0.408 331 HG22 THR 933 HG22 THR 933 8.841 6.165 -1.817 332 HG23 THR 933 HG23 THR 933 9.283 6.731 -0.206 333 H PHE 934 HN PHE 934 7.337 3.466 -2.739 334 HA PHE 934 HA PHE 934 8.565 3.978 -5.312 335 HB2 PHE 934 HB2 PHE 934 6.397 3.520 -6.242 336 HB3 PHE 934 HB1 PHE 934 6.642 2.329 -4.966 337 HD1 PHE 934 HD1 PHE 934 5.409 2.513 -2.842 338 HD2 PHE 934 HD2 PHE 934 4.772 5.178 -6.075 339 HE1 PHE 934 HE1 PHE 934 3.365 3.337 -1.761 340 HE2 PHE 934 HE2 PHE 934 2.728 6.008 -5.008 341 HZ PHE 934 HZ PHE 934 2.052 5.093 -2.858 342 H GLU 935 HN GLU 935 6.874 5.737 -6.550 343 HA GLU 935 HA GLU 935 7.940 8.172 -5.828 344 HB2 GLU 935 HB2 GLU 935 6.043 9.187 -7.146 345 HB3 GLU 935 HB1 GLU 935 6.956 7.941 -7.981 346 HG2 GLU 935 HG2 GLU 935 4.505 7.071 -6.525 347 HG3 GLU 935 HG1 GLU 935 4.298 8.039 -7.992 348 H ASP 936 HN ASP 936 7.588 9.630 -4.334 349 HA ASP 936 HA ASP 936 5.777 9.063 -2.196 350 HB2 ASP 936 HB2 ASP 936 7.985 9.923 -1.694 351 HB3 ASP 936 HB1 ASP 936 7.678 11.370 -2.649 352 H LEU 937 HN LEU 937 4.214 10.471 -1.335 353 HA LEU 937 HA LEU 937 2.713 11.846 -3.448 354 HB2 LEU 937 HB2 LEU 937 1.859 10.660 -0.806 355 HB3 LEU 937 HB1 LEU 937 0.795 11.610 -1.821 356 HG LEU 937 HG LEU 937 0.310 9.283 -2.146 357 HD11 LEU 937 HD11 LEU 937 1.828 10.369 -4.508 358 HD12 LEU 937 HD12 LEU 937 0.138 10.685 -4.116 359 HD13 LEU 937 HD13 LEU 937 0.652 9.055 -4.551 360 HD21 LEU 937 HD21 LEU 937 3.215 8.936 -2.870 361 HD22 LEU 937 HD22 LEU 937 1.964 7.699 -2.995 362 HD23 LEU 937 HD23 LEU 937 2.423 8.332 -1.414 363 HN1 NH2 938 H1 LEU 937 3.623 13.869 -3.390 364 HN2 NH2 938 H2 LEU 937 3.501 14.934 -2.032 Start of MODEL 2 1 H PHE 478 HT1 PHE 478 -12.430 8.832 -1.919 2 HA PHE 478 HA PHE 478 -10.304 7.726 -2.095 3 HB2 PHE 478 HB2 PHE 478 -10.337 10.323 -0.544 4 HB3 PHE 478 HB1 PHE 478 -8.875 9.649 -1.245 5 HD1 PHE 478 HD2 PHE 478 -8.847 9.235 -3.759 6 HD2 PHE 478 HD1 PHE 478 -11.749 11.667 -1.817 7 HE1 PHE 478 HE2 PHE 478 -9.359 10.329 -5.902 8 HE2 PHE 478 HE1 PHE 478 -12.267 12.764 -3.957 9 HZ PHE 478 HZ PHE 478 -11.070 12.096 -6.002 10 H LEU 479 HN LEU 479 -8.090 7.996 -0.557 11 HA LEU 479 HA LEU 479 -8.592 6.102 1.585 12 HB2 LEU 479 HB2 LEU 479 -6.109 7.207 0.317 13 HB3 LEU 479 HB1 LEU 479 -6.035 6.332 1.827 14 HG LEU 479 HG LEU 479 -5.499 4.713 0.345 15 HD11 LEU 479 HD11 LEU 479 -7.403 3.212 0.011 16 HD12 LEU 479 HD12 LEU 479 -8.497 4.519 0.466 17 HD13 LEU 479 HD13 LEU 479 -7.343 3.885 1.640 18 HD21 LEU 479 HD21 LEU 479 -7.529 5.817 -1.592 19 HD22 LEU 479 HD22 LEU 479 -6.488 4.421 -1.879 20 HD23 LEU 479 HD23 LEU 479 -5.779 6.023 -1.674 21 HA PRO 480 HA PRO 480 -7.917 8.751 5.270 22 HB2 PRO 480 HB2 PRO 480 -6.298 6.211 5.429 23 HB3 PRO 480 HB1 PRO 480 -7.030 7.100 6.752 24 HG2 PRO 480 HG2 PRO 480 -8.288 5.019 5.791 25 HG3 PRO 480 HG1 PRO 480 -9.217 6.514 6.039 26 HD2 PRO 480 HD2 PRO 480 -8.237 5.295 3.499 27 HD3 PRO 480 HD1 PRO 480 -9.691 6.270 3.799 28 HA PRO 481 HA PRO 481 -4.359 10.892 3.756 29 HB2 PRO 481 HB2 PRO 481 -3.348 11.704 6.232 30 HB3 PRO 481 HB1 PRO 481 -4.544 12.568 5.263 31 HG2 PRO 481 HG2 PRO 481 -4.950 10.724 7.578 32 HG3 PRO 481 HG1 PRO 481 -5.821 12.213 7.161 33 HD2 PRO 481 HD2 PRO 481 -6.908 9.818 6.706 34 HD3 PRO 481 HD1 PRO 481 -7.113 11.145 5.541 35 H GLY 482 HN GLY 482 -2.885 9.527 2.925 36 HA2 GLY 482 HA2 GLY 482 -0.540 8.986 3.179 37 HA3 GLY 482 HA1 GLY 482 -0.878 8.448 4.804 38 H TRP 483 HN TRP 483 -3.435 7.288 3.208 39 HA TRP 483 HA TRP 483 -2.121 4.717 2.802 40 HB2 TRP 483 HB2 TRP 483 -5.028 5.545 2.774 41 HB3 TRP 483 HB1 TRP 483 -4.494 3.936 2.303 42 HD1 TRP 483 HD1 TRP 483 -4.487 6.258 5.367 43 HE1 TRP 483 HE1 TRP 483 -4.481 4.786 7.490 44 HE3 TRP 483 HE3 TRP 483 -4.029 1.664 3.157 45 HZ2 TRP 483 HZ2 TRP 483 -4.313 2.030 8.123 46 HZ3 TRP 483 HZ3 TRP 483 -3.952 -0.333 4.594 47 HH2 TRP 483 HH2 TRP 483 -4.085 -0.148 7.024 48 H GLU 484 HN GLU 484 -1.455 4.092 0.914 49 HA GLU 484 HA GLU 484 -2.445 5.556 -1.426 50 HB2 GLU 484 HB2 GLU 484 0.277 5.045 -0.431 51 HB3 GLU 484 HB1 GLU 484 0.052 4.839 -2.151 52 HG2 GLU 484 HG2 GLU 484 -0.487 7.299 -0.534 53 HG3 GLU 484 HG1 GLU 484 0.749 7.067 -1.768 54 H MET 485 HN MET 485 -3.254 4.429 -2.964 55 HA MET 485 HA MET 485 -2.973 1.511 -2.979 56 HB2 MET 485 HB2 MET 485 -4.869 3.360 -4.430 57 HB3 MET 485 HB1 MET 485 -4.764 1.644 -4.777 58 HG2 MET 485 HG2 MET 485 -5.329 1.208 -2.423 59 HG3 MET 485 HG1 MET 485 -5.579 2.941 -2.201 60 HE1 MET 485 HE1 MET 485 -7.441 4.338 -3.567 61 HE2 MET 485 HE2 MET 485 -8.553 3.599 -4.720 62 HE3 MET 485 HE3 MET 485 -6.831 3.690 -5.090 63 H ARG 486 HN ARG 486 -1.236 0.858 -4.053 64 HA ARG 486 HA ARG 486 -0.777 1.968 -6.739 65 HB2 ARG 486 HB2 ARG 486 1.382 1.490 -4.673 66 HB3 ARG 486 HB1 ARG 486 1.657 1.963 -6.344 67 HG2 ARG 486 HG2 ARG 486 0.194 3.589 -4.276 68 HG3 ARG 486 HG1 ARG 486 1.847 3.860 -4.826 69 HD2 ARG 486 HD2 ARG 486 -0.579 3.940 -6.618 70 HD3 ARG 486 HD1 ARG 486 0.155 5.361 -5.877 71 HE ARG 486 HE ARG 486 2.250 4.393 -7.153 72 HH11 ARG 486 HH11 ARG 486 -1.066 4.630 -8.261 73 HH12 ARG 486 HH12 ARG 486 -0.625 4.844 -9.927 74 HH21 ARG 486 HH21 ARG 486 2.842 4.713 -9.329 75 HH22 ARG 486 HH22 ARG 486 1.600 4.924 -10.534 76 H ILE 487 HN ILE 487 -0.091 0.506 -8.253 77 HA ILE 487 HA ILE 487 -0.281 -2.274 -7.366 78 HB ILE 487 HB ILE 487 -2.019 -1.677 -8.911 79 HG12 ILE 487 HG12 ILE 487 0.044 -3.364 -10.337 80 HG13 ILE 487 HG11 ILE 487 -1.038 -3.947 -9.076 81 HG21 ILE 487 HG21 ILE 487 -1.542 -0.963 -11.200 82 HG22 ILE 487 HG22 ILE 487 0.174 -0.872 -10.806 83 HG23 ILE 487 HG23 ILE 487 -0.974 0.201 -10.005 84 HD11 ILE 487 HD11 ILE 487 -1.870 -2.861 -11.754 85 HD12 ILE 487 HD12 ILE 487 -2.957 -3.444 -10.491 86 HD13 ILE 487 HD13 ILE 487 -1.838 -4.558 -11.279 87 H ALA 488 HN ALA 488 1.128 -3.768 -7.775 88 HA ALA 488 HA ALA 488 3.768 -2.964 -8.676 89 HB1 ALA 488 HB1 ALA 488 3.618 -4.284 -6.646 90 HB2 ALA 488 HB2 ALA 488 4.427 -5.221 -7.896 91 HB3 ALA 488 HB3 ALA 488 2.741 -5.549 -7.498 92 HA PRO 489 HA PRO 489 3.400 -4.478 -12.804 93 HB2 PRO 489 HB2 PRO 489 5.805 -5.836 -13.061 94 HB3 PRO 489 HB1 PRO 489 5.576 -4.101 -13.294 95 HG2 PRO 489 HG2 PRO 489 6.588 -5.578 -10.904 96 HG3 PRO 489 HG1 PRO 489 7.129 -4.030 -11.579 97 HD2 PRO 489 HD2 PRO 489 5.585 -4.143 -9.391 98 HD3 PRO 489 HD1 PRO 489 5.384 -2.856 -10.599 99 H ASN 490 HN ASN 490 3.590 -6.623 -10.186 100 HA ASN 490 HA ASN 490 3.312 -9.057 -11.714 101 HB2 ASN 490 HB2 ASN 490 4.343 -9.040 -9.457 102 HB3 ASN 490 HB1 ASN 490 2.804 -8.542 -8.768 103 HD21 ASN 490 HD21 ASN 490 3.239 -10.897 -11.354 104 HD22 ASN 490 HD22 ASN 490 2.661 -12.253 -10.448 105 H GLY 491 HN GLY 491 1.281 -6.496 -10.884 106 HA2 GLY 491 HA2 GLY 491 -0.925 -6.305 -11.723 107 HA3 GLY 491 HA1 GLY 491 -1.050 -8.057 -11.734 108 H ARG 492 HN ARG 492 0.037 -6.070 -9.025 109 HA ARG 492 HA ARG 492 -2.442 -6.738 -7.613 110 HB2 ARG 492 HB2 ARG 492 -1.014 -7.173 -5.567 111 HB3 ARG 492 HB1 ARG 492 -1.024 -8.415 -6.794 112 HG2 ARG 492 HG2 ARG 492 1.125 -7.362 -7.661 113 HG3 ARG 492 HG1 ARG 492 1.154 -6.462 -6.144 114 HD2 ARG 492 HD2 ARG 492 1.000 -8.641 -4.936 115 HD3 ARG 492 HD1 ARG 492 1.176 -9.457 -6.488 116 HE ARG 492 HE ARG 492 3.295 -7.607 -6.020 117 HH11 ARG 492 HH11 ARG 492 2.159 -10.835 -5.275 118 HH12 ARG 492 HH12 ARG 492 3.736 -11.427 -4.852 119 HH21 ARG 492 HH21 ARG 492 5.366 -8.378 -5.456 120 HH22 ARG 492 HH22 ARG 492 5.557 -10.039 -4.940 121 HA PRO 493 HA PRO 493 -1.813 -2.470 -6.242 122 HB2 PRO 493 HB2 PRO 493 -4.534 -2.216 -5.614 123 HB3 PRO 493 HB1 PRO 493 -3.742 -1.673 -7.091 124 HG2 PRO 493 HG2 PRO 493 -5.649 -3.718 -6.876 125 HG3 PRO 493 HG1 PRO 493 -4.636 -3.366 -8.283 126 HD2 PRO 493 HD2 PRO 493 -4.309 -5.447 -6.191 127 HD3 PRO 493 HD1 PRO 493 -3.852 -5.478 -7.902 128 H PHE 494 HN PHE 494 -1.013 -2.111 -4.328 129 HA PHE 494 HA PHE 494 -2.203 -3.469 -2.010 130 HB2 PHE 494 HB2 PHE 494 0.101 -3.329 -1.009 131 HB3 PHE 494 HB1 PHE 494 -0.059 -4.412 -2.380 132 HD1 PHE 494 HD2 PHE 494 0.740 -0.769 -1.892 133 HD2 PHE 494 HD1 PHE 494 1.757 -4.457 -3.766 134 HE1 PHE 494 HE2 PHE 494 2.686 0.312 -2.961 135 HE2 PHE 494 HE1 PHE 494 3.700 -3.390 -4.809 136 HZ PHE 494 HZ PHE 494 4.161 -1.008 -4.424 137 H PHE 495 HN PHE 495 -2.292 -2.358 -0.017 138 HA PHE 495 HA PHE 495 -2.393 0.550 -0.311 139 HB2 PHE 495 HB2 PHE 495 -3.356 -1.081 2.048 140 HB3 PHE 495 HB1 PHE 495 -3.730 0.595 1.684 141 HD1 PHE 495 HD1 PHE 495 -4.916 1.014 -0.574 142 HD2 PHE 495 HD2 PHE 495 -4.875 -2.723 1.446 143 HE1 PHE 495 HE1 PHE 495 -6.927 0.343 -1.813 144 HE2 PHE 495 HE2 PHE 495 -6.898 -3.413 0.222 145 HZ PHE 495 HZ PHE 495 -7.929 -1.879 -1.409 146 H ILE 496 HN ILE 496 -0.535 1.543 0.144 147 HA ILE 496 HA ILE 496 0.962 0.652 2.514 148 HB ILE 496 HB ILE 496 1.831 2.552 0.335 149 HG12 ILE 496 HG12 ILE 496 2.682 -0.282 0.964 150 HG13 ILE 496 HG11 ILE 496 1.772 0.247 -0.447 151 HG21 ILE 496 HG21 ILE 496 3.356 1.496 2.716 152 HG22 ILE 496 HG22 ILE 496 2.805 3.155 2.479 153 HG23 ILE 496 HG23 ILE 496 4.035 2.475 1.414 154 HD11 ILE 496 HD11 ILE 496 4.094 -0.153 -0.999 155 HD12 ILE 496 HD12 ILE 496 4.597 1.023 0.216 156 HD13 ILE 496 HD13 ILE 496 3.683 1.552 -1.197 157 H ASP 497 HN ASP 497 0.441 1.686 4.346 158 HA ASP 497 HA ASP 497 -0.505 4.433 4.115 159 HB2 ASP 497 HB2 ASP 497 -1.253 4.344 6.306 160 HB3 ASP 497 HB1 ASP 497 -1.525 2.699 5.752 161 H HIS 498 HN HIS 498 0.731 6.054 4.295 162 HA HIS 498 HA HIS 498 3.546 5.538 4.439 163 HB2 HIS 498 HB2 HIS 498 1.908 7.934 3.674 164 HB3 HIS 498 HB1 HIS 498 3.660 8.036 3.844 165 HD1 HIS 498 HD1 HIS 498 5.099 6.953 2.048 166 HD2 HIS 498 HD2 HIS 498 1.007 6.332 1.456 167 HE1 HIS 498 HE1 HIS 498 4.880 5.947 -0.245 168 HE2 HIS 498 HE2 HIS 498 2.397 5.814 -0.659 169 H ASN 499 HN ASN 499 1.286 6.365 6.781 170 HA ASN 499 HA ASN 499 3.025 8.175 8.206 171 HB2 ASN 499 HB2 ASN 499 1.325 8.139 9.993 172 HB3 ASN 499 HB1 ASN 499 0.639 8.534 8.425 173 HD21 ASN 499 HD21 ASN 499 -0.788 7.106 7.457 174 HD22 ASN 499 HD22 ASN 499 -1.484 5.772 8.306 175 H THR 500 HN THR 500 1.813 4.828 8.887 176 HA THR 500 HA THR 500 4.031 4.442 10.707 177 HB THR 500 HB THR 500 3.316 2.135 10.934 178 HG1 THR 500 HG1 THR 500 1.437 2.778 8.871 179 HG21 THR 500 HG21 THR 500 2.198 3.808 12.293 180 HG22 THR 500 HG22 THR 500 1.079 2.516 11.861 181 HG23 THR 500 HG23 THR 500 1.001 4.066 11.022 182 H LYS 501 HN LYS 501 3.671 4.532 7.452 183 HA LYS 501 HA LYS 501 4.704 3.793 5.604 184 HB2 LYS 501 HB2 LYS 501 7.153 3.770 5.613 185 HB3 LYS 501 HB1 LYS 501 6.498 5.187 6.409 186 HG2 LYS 501 HG2 LYS 501 7.172 4.453 8.517 187 HG3 LYS 501 HG1 LYS 501 7.380 2.789 7.971 188 HD2 LYS 501 HD2 LYS 501 9.043 5.075 6.945 189 HD3 LYS 501 HD1 LYS 501 9.507 4.100 8.342 190 HE2 LYS 501 HE2 LYS 501 8.925 2.990 5.598 191 HE3 LYS 501 HE1 LYS 501 10.542 3.358 6.202 192 HZ1 LYS 501 HZ1 LYS 501 8.671 1.453 7.507 193 HZ2 LYS 501 HZ2 LYS 501 10.296 1.722 7.906 194 HZ3 LYS 501 HZ3 LYS 501 9.895 0.992 6.432 195 H THR 502 HN THR 502 3.356 1.762 6.675 196 HA THR 502 HA THR 502 5.163 -0.492 6.161 197 HB THR 502 HB THR 502 4.373 -0.442 8.529 198 HG1 THR 502 HG1 THR 502 3.223 -2.752 7.583 199 HG21 THR 502 HG21 THR 502 1.698 -1.075 7.285 200 HG22 THR 502 HG22 THR 502 2.102 0.397 8.169 201 HG23 THR 502 HG23 THR 502 2.075 -1.155 9.006 202 H THR 503 HN THR 503 4.318 -2.247 5.079 203 HA THR 503 HA THR 503 2.385 -1.467 3.057 204 HB THR 503 HB THR 503 3.192 -3.635 1.986 205 HG1 THR 503 HG1 THR 503 4.999 -4.584 2.883 206 HG21 THR 503 HG21 THR 503 4.014 -1.430 1.306 207 HG22 THR 503 HG22 THR 503 5.306 -2.629 1.254 208 HG23 THR 503 HG23 THR 503 5.224 -1.480 2.590 209 H THR 504 HN THR 504 0.357 -2.262 2.917 210 HA THR 504 HA THR 504 -0.364 -4.583 4.569 211 HB THR 504 HB THR 504 -1.874 -1.958 4.485 212 HG1 THR 504 HG1 THR 504 -0.463 -1.476 5.996 213 HG21 THR 504 HG21 THR 504 -2.386 -4.469 6.087 214 HG22 THR 504 HG22 THR 504 -3.378 -3.857 4.762 215 HG23 THR 504 HG23 THR 504 -3.254 -2.942 6.266 216 H TRP 505 HN TRP 505 -1.768 -5.982 3.603 217 HA TRP 505 HA TRP 505 -2.827 -5.288 0.966 218 HB2 TRP 505 HB2 TRP 505 -2.695 -7.908 2.456 219 HB3 TRP 505 HB1 TRP 505 -3.517 -7.712 0.917 220 HD1 TRP 505 HD1 TRP 505 -0.120 -8.257 2.424 221 HE1 TRP 505 HE1 TRP 505 1.606 -8.555 0.542 222 HE3 TRP 505 HE3 TRP 505 -2.982 -6.786 -1.550 223 HZ2 TRP 505 HZ2 TRP 505 1.744 -8.205 -2.248 224 HZ3 TRP 505 HZ3 TRP 505 -1.973 -6.806 -3.799 225 HH2 TRP 505 HH2 TRP 505 0.340 -7.499 -4.135 226 H GLU 506 HN GLU 506 -3.835 -5.685 4.219 227 HA GLU 506 HA GLU 506 -6.567 -6.356 3.637 228 HB2 GLU 506 HB2 GLU 506 -5.357 -7.084 5.713 229 HB3 GLU 506 HB1 GLU 506 -5.386 -5.411 6.251 230 HG2 GLU 506 HG2 GLU 506 -7.838 -5.453 6.213 231 HG3 GLU 506 HG1 GLU 506 -7.789 -7.144 5.713 232 H ASP 507 HN ASP 507 -8.291 -5.171 3.589 233 HA ASP 507 HA ASP 507 -7.883 -2.452 2.941 234 HB2 ASP 507 HB2 ASP 507 -9.530 -3.919 1.774 235 HB3 ASP 507 HB1 ASP 507 -10.492 -3.954 3.246 236 HA PRO 508 HA PRO 508 -8.504 -0.909 7.100 237 HB2 PRO 508 HB2 PRO 508 -8.494 1.720 6.528 238 HB3 PRO 508 HB1 PRO 508 -7.024 0.743 6.427 239 HG2 PRO 508 HG2 PRO 508 -8.881 1.591 4.237 240 HG3 PRO 508 HG1 PRO 508 -7.111 1.648 4.279 241 HD2 PRO 508 HD2 PRO 508 -8.458 -0.333 3.029 242 HD3 PRO 508 HD1 PRO 508 -6.896 -0.601 3.825 243 H ARG 509 HN ARG 509 -10.842 -1.789 5.650 244 HA ARG 509 HA ARG 509 -12.868 0.182 5.599 245 HB2 ARG 509 HB2 ARG 509 -12.759 -2.183 4.498 246 HB3 ARG 509 HB1 ARG 509 -13.435 -2.732 6.025 247 HG2 ARG 509 HG2 ARG 509 -15.169 -2.369 4.356 248 HG3 ARG 509 HG1 ARG 509 -15.352 -1.270 5.726 249 HD2 ARG 509 HD2 ARG 509 -15.663 -0.244 3.438 250 HD3 ARG 509 HD1 ARG 509 -14.508 0.562 4.497 251 HE ARG 509 HE ARG 509 -12.823 -0.929 3.168 252 HH11 ARG 509 HH11 ARG 509 -15.678 0.648 1.857 253 HH12 ARG 509 HH12 ARG 509 -14.951 0.920 0.299 254 HH21 ARG 509 HH21 ARG 509 -11.889 -0.587 1.142 255 HH22 ARG 509 HH22 ARG 509 -12.802 0.213 -0.108 256 H1 ARG 925 HT1 ARG 925 -2.363 -16.749 3.456 257 H2 ARG 925 HT2 ARG 925 -3.453 -15.751 2.628 258 H3 ARG 925 HT3 ARG 925 -3.700 -16.097 4.270 259 HA ARG 925 HA ARG 925 -2.839 -13.881 4.000 260 HB2 ARG 925 HB2 ARG 925 -2.208 -14.990 6.038 261 HB3 ARG 925 HB1 ARG 925 -0.926 -15.878 5.225 262 HG2 ARG 925 HG2 ARG 925 0.235 -13.745 4.797 263 HG3 ARG 925 HG1 ARG 925 -1.026 -12.908 5.701 264 HD2 ARG 925 HD2 ARG 925 -0.419 -14.008 7.721 265 HD3 ARG 925 HD1 ARG 925 0.653 -15.119 6.866 266 HE ARG 925 HE ARG 925 1.795 -12.814 6.253 267 HH11 ARG 925 HH11 ARG 925 0.627 -13.979 9.346 268 HH12 ARG 925 HH12 ARG 925 1.723 -12.986 10.269 269 HH21 ARG 925 HH21 ARG 925 3.251 -11.572 7.435 270 HH22 ARG 925 HH22 ARG 925 3.226 -11.614 9.179 271 H LEU 926 HN LEU 926 -1.997 -12.643 2.498 272 HA LEU 926 HA LEU 926 0.345 -13.578 1.003 273 HB2 LEU 926 HB2 LEU 926 -1.541 -11.271 0.513 274 HB3 LEU 926 HB1 LEU 926 -0.121 -11.605 -0.458 275 HG LEU 926 HG LEU 926 -2.519 -13.416 -0.163 276 HD11 LEU 926 HD11 LEU 926 -1.549 -11.745 -2.476 277 HD12 LEU 926 HD12 LEU 926 -2.985 -11.440 -1.500 278 HD13 LEU 926 HD13 LEU 926 -2.901 -12.876 -2.520 279 HD21 LEU 926 HD21 LEU 926 -1.450 -14.769 -1.891 280 HD22 LEU 926 HD22 LEU 926 -0.451 -14.681 -0.442 281 HD23 LEU 926 HD23 LEU 926 -0.041 -13.712 -1.856 282 H ASP 927 HN ASP 927 2.287 -12.873 1.591 283 HA ASP 927 HA ASP 927 2.473 -10.568 3.370 284 HB2 ASP 927 HB2 ASP 927 4.460 -12.703 2.592 285 HB3 ASP 927 HB1 ASP 927 4.914 -11.278 3.522 286 H LEU 928 HN LEU 928 3.049 -8.646 2.678 287 HA LEU 928 HA LEU 928 3.563 -8.200 -0.111 288 HB2 LEU 928 HB2 LEU 928 2.300 -6.766 1.742 289 HB3 LEU 928 HB1 LEU 928 3.893 -6.075 1.964 290 HG LEU 928 HG LEU 928 2.677 -6.160 -0.775 291 HD11 LEU 928 HD11 LEU 928 0.964 -5.200 0.662 292 HD12 LEU 928 HD12 LEU 928 1.689 -3.962 -0.363 293 HD13 LEU 928 HD13 LEU 928 2.142 -4.076 1.338 294 HD21 LEU 928 HD21 LEU 928 5.024 -5.503 -0.541 295 HD22 LEU 928 HD22 LEU 928 4.555 -4.236 0.592 296 HD23 LEU 928 HD23 LEU 928 4.028 -4.155 -1.089 297 HA PRO 929 HA PRO 929 7.982 -8.559 0.011 298 HB2 PRO 929 HB2 PRO 929 8.567 -6.683 -1.943 299 HB3 PRO 929 HB1 PRO 929 8.137 -8.366 -2.257 300 HG2 PRO 929 HG2 PRO 929 6.437 -5.916 -2.378 301 HG3 PRO 929 HG1 PRO 929 6.443 -7.336 -3.440 302 HD2 PRO 929 HD2 PRO 929 4.562 -6.981 -1.559 303 HD3 PRO 929 HD1 PRO 929 5.177 -8.590 -1.975 304 HA PRO 930 HA PRO 930 9.496 -5.474 2.818 305 HB2 PRO 930 HB2 PRO 930 12.056 -5.212 1.668 306 HB3 PRO 930 HB1 PRO 930 11.601 -6.319 2.965 307 HG2 PRO 930 HG2 PRO 930 11.857 -6.825 0.041 308 HG3 PRO 930 HG1 PRO 930 12.219 -7.897 1.407 309 HD2 PRO 930 HD2 PRO 930 10.020 -8.249 -0.062 310 HD3 PRO 930 HD1 PRO 930 9.980 -8.475 1.702 311 H TYR 931 HN TYR 931 9.477 -3.253 2.853 312 HA TYR 931 HA TYR 931 8.418 -2.091 0.493 313 HB2 TYR 931 HB2 TYR 931 7.735 -1.503 2.819 314 HB3 TYR 931 HB1 TYR 931 9.295 -0.730 3.049 315 HD1 TYR 931 HD2 TYR 931 7.723 -0.370 -0.208 316 HD2 TYR 931 HD1 TYR 931 8.058 1.332 3.683 317 HE1 TYR 931 HE2 TYR 931 6.781 1.735 -1.052 318 HE2 TYR 931 HE1 TYR 931 7.109 3.442 2.843 319 HH TYR 931 HH TYR 931 5.614 3.684 -0.208 320 H GLU 932 HN GLU 932 9.566 -1.518 -1.176 321 HA GLU 932 HA GLU 932 11.975 0.117 -0.768 322 HB2 GLU 932 HB2 GLU 932 12.076 -1.890 -2.350 323 HB3 GLU 932 HB1 GLU 932 10.952 -1.015 -3.382 324 HG2 GLU 932 HG2 GLU 932 13.260 -0.750 -4.130 325 HG3 GLU 932 HG1 GLU 932 12.550 0.790 -3.637 326 H THR 933 HN THR 933 11.747 2.324 -1.184 327 HA THR 933 HA THR 933 9.090 3.257 -1.353 328 HB THR 933 HB THR 933 11.502 4.975 -1.924 329 HG1 THR 933 HG1 THR 933 10.423 4.700 0.664 330 HG21 THR 933 HG21 THR 933 10.073 6.714 -0.898 331 HG22 THR 933 HG22 THR 933 8.779 5.527 -0.714 332 HG23 THR 933 HG23 THR 933 9.319 6.004 -2.324 333 H PHE 934 HN PHE 934 7.856 3.322 -2.984 334 HA PHE 934 HA PHE 934 8.809 3.454 -5.711 335 HB2 PHE 934 HB2 PHE 934 6.545 3.007 -6.364 336 HB3 PHE 934 HB1 PHE 934 6.871 1.969 -4.978 337 HD1 PHE 934 HD2 PHE 934 5.860 2.479 -2.781 338 HD2 PHE 934 HD1 PHE 934 4.997 4.748 -6.265 339 HE1 PHE 934 HE2 PHE 934 3.963 3.529 -1.629 340 HE2 PHE 934 HE1 PHE 934 3.102 5.800 -5.125 341 HZ PHE 934 HZ PHE 934 2.611 5.202 -2.813 342 H GLU 935 HN GLU 935 7.085 5.084 -7.016 343 HA GLU 935 HA GLU 935 8.294 7.542 -6.799 344 HB2 GLU 935 HB2 GLU 935 6.640 8.369 -8.303 345 HB3 GLU 935 HB1 GLU 935 6.894 6.677 -8.703 346 HG2 GLU 935 HG2 GLU 935 4.800 6.608 -6.878 347 HG3 GLU 935 HG1 GLU 935 4.492 8.052 -7.844 348 H ASP 936 HN ASP 936 7.898 9.464 -5.831 349 HA ASP 936 HA ASP 936 6.667 9.386 -3.269 350 HB2 ASP 936 HB2 ASP 936 8.688 10.716 -3.783 351 HB3 ASP 936 HB1 ASP 936 7.724 11.751 -4.830 352 H LEU 937 HN LEU 937 4.797 10.296 -2.529 353 HA LEU 937 HA LEU 937 2.848 11.026 -4.591 354 HB2 LEU 937 HB2 LEU 937 2.422 10.310 -1.681 355 HB3 LEU 937 HB1 LEU 937 1.150 10.682 -2.826 356 HG LEU 937 HG LEU 937 1.149 8.348 -2.638 357 HD11 LEU 937 HD11 LEU 937 1.011 9.092 -4.944 358 HD12 LEU 937 HD12 LEU 937 1.827 7.532 -4.833 359 HD13 LEU 937 HD13 LEU 937 2.765 9.003 -5.093 360 HD21 LEU 937 HD21 LEU 937 4.142 8.408 -2.975 361 HD22 LEU 937 HD22 LEU 937 3.151 6.954 -2.847 362 HD23 LEU 937 HD23 LEU 937 3.260 8.068 -1.484 363 HN1 NH2 938 H1 LEU 937 3.264 13.137 -4.999 364 HN2 NH2 938 H2 LEU 937 3.103 14.401 -3.832 Start of MODEL 3 1 H PHE 478 HT1 PHE 478 -9.304 8.805 -1.613 2 HA PHE 478 HA PHE 478 -11.934 8.296 -0.352 3 HB2 PHE 478 HB2 PHE 478 -11.872 7.587 -2.721 4 HB3 PHE 478 HB1 PHE 478 -10.428 6.636 -2.390 5 HD1 PHE 478 HD2 PHE 478 -14.008 6.983 -1.469 6 HD2 PHE 478 HD1 PHE 478 -10.609 4.428 -1.658 7 HE1 PHE 478 HE2 PHE 478 -15.423 5.059 -0.865 8 HE2 PHE 478 HE1 PHE 478 -12.018 2.504 -1.061 9 HZ PHE 478 HZ PHE 478 -14.428 2.815 -0.661 10 H LEU 479 HN LEU 479 -8.550 7.351 -0.767 11 HA LEU 479 HA LEU 479 -8.688 5.537 1.493 12 HB2 LEU 479 HB2 LEU 479 -7.062 5.761 -0.772 13 HB3 LEU 479 HB1 LEU 479 -6.018 6.214 0.561 14 HG LEU 479 HG LEU 479 -6.685 4.046 1.689 15 HD11 LEU 479 HD11 LEU 479 -7.659 2.302 0.376 16 HD12 LEU 479 HD12 LEU 479 -7.641 3.305 -1.081 17 HD13 LEU 479 HD13 LEU 479 -8.726 3.706 0.261 18 HD21 LEU 479 HD21 LEU 479 -4.540 4.340 0.549 19 HD22 LEU 479 HD22 LEU 479 -5.279 3.830 -0.970 20 HD23 LEU 479 HD23 LEU 479 -5.155 2.696 0.372 21 HA PRO 480 HA PRO 480 -7.950 8.389 4.825 22 HB2 PRO 480 HB2 PRO 480 -5.962 6.221 5.430 23 HB3 PRO 480 HB1 PRO 480 -7.013 7.086 6.549 24 HG2 PRO 480 HG2 PRO 480 -7.741 4.712 5.752 25 HG3 PRO 480 HG1 PRO 480 -8.944 6.018 5.691 26 HD2 PRO 480 HD2 PRO 480 -7.374 4.782 3.465 27 HD3 PRO 480 HD1 PRO 480 -9.054 5.340 3.480 28 HA PRO 481 HA PRO 481 -4.465 10.974 3.960 29 HB2 PRO 481 HB2 PRO 481 -4.026 11.006 6.908 30 HB3 PRO 481 HB1 PRO 481 -4.186 12.359 5.781 31 HG2 PRO 481 HG2 PRO 481 -6.197 11.723 7.384 32 HG3 PRO 481 HG1 PRO 481 -6.506 12.181 5.698 33 HD2 PRO 481 HD2 PRO 481 -6.503 9.464 6.953 34 HD3 PRO 481 HD1 PRO 481 -7.584 10.131 5.711 35 H GLY 482 HN GLY 482 -2.733 10.084 3.095 36 HA2 GLY 482 HA2 GLY 482 -0.501 9.381 3.208 37 HA3 GLY 482 HA1 GLY 482 -0.759 8.788 4.827 38 H TRP 483 HN TRP 483 -3.352 7.622 3.452 39 HA TRP 483 HA TRP 483 -2.061 5.099 2.800 40 HB2 TRP 483 HB2 TRP 483 -4.958 5.873 3.172 41 HB3 TRP 483 HB1 TRP 483 -4.462 4.284 2.595 42 HD1 TRP 483 HD1 TRP 483 -4.186 6.534 5.695 43 HE1 TRP 483 HE1 TRP 483 -3.786 5.030 7.765 44 HE3 TRP 483 HE3 TRP 483 -3.734 2.028 3.325 45 HZ2 TRP 483 HZ2 TRP 483 -3.353 2.280 8.294 46 HZ3 TRP 483 HZ3 TRP 483 -3.350 0.014 4.673 47 HH2 TRP 483 HH2 TRP 483 -3.157 0.135 7.105 48 H GLU 484 HN GLU 484 -1.437 4.785 0.841 49 HA GLU 484 HA GLU 484 -2.976 6.003 -1.333 50 HB2 GLU 484 HB2 GLU 484 -0.101 6.083 -0.701 51 HB3 GLU 484 HB1 GLU 484 -0.503 5.846 -2.388 52 HG2 GLU 484 HG2 GLU 484 -1.319 8.108 -0.610 53 HG3 GLU 484 HG1 GLU 484 -0.269 8.169 -2.024 54 H MET 485 HN MET 485 -3.701 4.699 -2.772 55 HA MET 485 HA MET 485 -2.969 1.875 -2.579 56 HB2 MET 485 HB2 MET 485 -5.265 2.054 -2.280 57 HB3 MET 485 HB1 MET 485 -5.422 3.354 -3.449 58 HG2 MET 485 HG2 MET 485 -5.739 1.966 -5.134 59 HG3 MET 485 HG1 MET 485 -4.539 0.803 -4.587 60 HE1 MET 485 HE1 MET 485 -7.712 2.223 -2.697 61 HE2 MET 485 HE2 MET 485 -8.915 1.004 -3.117 62 HE3 MET 485 HE3 MET 485 -8.249 2.047 -4.372 63 H ARG 486 HN ARG 486 -1.701 1.006 -4.011 64 HA ARG 486 HA ARG 486 -1.541 2.098 -6.729 65 HB2 ARG 486 HB2 ARG 486 0.694 1.853 -4.743 66 HB3 ARG 486 HB1 ARG 486 1.016 1.781 -6.465 67 HG2 ARG 486 HG2 ARG 486 -0.489 4.068 -5.246 68 HG3 ARG 486 HG1 ARG 486 1.274 4.030 -5.299 69 HD2 ARG 486 HD2 ARG 486 -0.570 3.826 -7.677 70 HD3 ARG 486 HD1 ARG 486 0.346 5.257 -7.203 71 HE ARG 486 HE ARG 486 2.268 3.377 -7.466 72 HH11 ARG 486 HH11 ARG 486 -0.302 4.446 -9.597 73 HH12 ARG 486 HH12 ARG 486 0.569 4.042 -11.044 74 HH21 ARG 486 HH21 ARG 486 3.408 2.846 -9.368 75 HH22 ARG 486 HH22 ARG 486 2.657 3.135 -10.916 76 H ILE 487 HN ILE 487 -0.793 0.636 -8.278 77 HA ILE 487 HA ILE 487 -0.990 -2.157 -7.483 78 HB ILE 487 HB ILE 487 -0.777 -0.884 -10.209 79 HG12 ILE 487 HG12 ILE 487 -3.046 -2.200 -8.714 80 HG13 ILE 487 HG11 ILE 487 -2.945 -0.523 -9.242 81 HG21 ILE 487 HG21 ILE 487 0.311 -3.059 -10.241 82 HG22 ILE 487 HG22 ILE 487 -1.208 -3.106 -11.137 83 HG23 ILE 487 HG23 ILE 487 -1.118 -3.798 -9.517 84 HD11 ILE 487 HD11 ILE 487 -4.441 -1.859 -10.645 85 HD12 ILE 487 HD12 ILE 487 -3.088 -2.917 -11.065 86 HD13 ILE 487 HD13 ILE 487 -3.072 -1.221 -11.555 87 H ALA 488 HN ALA 488 0.644 -3.549 -7.379 88 HA ALA 488 HA ALA 488 3.355 -2.639 -7.945 89 HB1 ALA 488 HB1 ALA 488 2.953 -3.890 -5.873 90 HB2 ALA 488 HB2 ALA 488 4.030 -4.788 -6.942 91 HB3 ALA 488 HB3 ALA 488 2.334 -5.253 -6.804 92 HA PRO 489 HA PRO 489 3.659 -4.059 -12.031 93 HB2 PRO 489 HB2 PRO 489 6.131 -5.554 -11.318 94 HB3 PRO 489 HB1 PRO 489 5.874 -4.315 -12.553 95 HG2 PRO 489 HG2 PRO 489 7.152 -3.710 -10.307 96 HG3 PRO 489 HG1 PRO 489 5.993 -2.572 -11.019 97 HD2 PRO 489 HD2 PRO 489 5.658 -4.401 -8.675 98 HD3 PRO 489 HD1 PRO 489 5.088 -2.734 -8.893 99 H ASN 490 HN ASN 490 3.350 -6.386 -9.594 100 HA ASN 490 HA ASN 490 3.358 -8.693 -11.335 101 HB2 ASN 490 HB2 ASN 490 2.206 -8.603 -8.549 102 HB3 ASN 490 HB1 ASN 490 2.869 -9.984 -9.412 103 HD21 ASN 490 HD21 ASN 490 5.114 -10.205 -9.578 104 HD22 ASN 490 HD22 ASN 490 6.181 -9.369 -8.504 105 H GLY 491 HN GLY 491 1.190 -6.201 -10.663 106 HA2 GLY 491 HA2 GLY 491 -0.946 -5.992 -11.640 107 HA3 GLY 491 HA1 GLY 491 -1.034 -7.743 -11.776 108 H ARG 492 HN ARG 492 0.015 -6.282 -8.824 109 HA ARG 492 HA ARG 492 -2.574 -6.958 -7.610 110 HB2 ARG 492 HB2 ARG 492 -1.211 -7.530 -5.533 111 HB3 ARG 492 HB1 ARG 492 -1.164 -8.678 -6.848 112 HG2 ARG 492 HG2 ARG 492 1.018 -7.540 -7.543 113 HG3 ARG 492 HG1 ARG 492 0.972 -6.784 -5.945 114 HD2 ARG 492 HD2 ARG 492 0.654 -9.148 -5.032 115 HD3 ARG 492 HD1 ARG 492 1.129 -9.708 -6.631 116 HE ARG 492 HE ARG 492 3.131 -7.995 -5.851 117 HH11 ARG 492 HH11 ARG 492 1.677 -10.909 -4.606 118 HH12 ARG 492 HH12 ARG 492 3.112 -11.451 -3.783 119 HH21 ARG 492 HH21 ARG 492 5.043 -8.683 -4.718 120 HH22 ARG 492 HH22 ARG 492 5.000 -10.183 -3.824 121 HA PRO 493 HA PRO 493 -2.172 -2.792 -6.095 122 HB2 PRO 493 HB2 PRO 493 -4.709 -2.497 -5.289 123 HB3 PRO 493 HB1 PRO 493 -4.277 -2.550 -7.000 124 HG2 PRO 493 HG2 PRO 493 -5.583 -4.604 -5.322 125 HG3 PRO 493 HG1 PRO 493 -5.731 -4.310 -7.060 126 HD2 PRO 493 HD2 PRO 493 -4.130 -6.276 -5.775 127 HD3 PRO 493 HD1 PRO 493 -4.157 -5.870 -7.503 128 H PHE 494 HN PHE 494 -1.309 -2.177 -4.234 129 HA PHE 494 HA PHE 494 -2.302 -3.427 -1.775 130 HB2 PHE 494 HB2 PHE 494 0.006 -3.333 -0.847 131 HB3 PHE 494 HB1 PHE 494 -0.191 -4.459 -2.168 132 HD1 PHE 494 HD2 PHE 494 0.029 -1.082 -3.373 133 HD2 PHE 494 HD1 PHE 494 2.343 -4.380 -1.999 134 HE1 PHE 494 HE2 PHE 494 2.027 -0.141 -4.488 135 HE2 PHE 494 HE1 PHE 494 4.329 -3.456 -3.114 136 HZ PHE 494 HZ PHE 494 4.171 -1.338 -4.356 137 H PHE 495 HN PHE 495 -2.262 -2.148 0.124 138 HA PHE 495 HA PHE 495 -2.483 0.694 -0.483 139 HB2 PHE 495 HB2 PHE 495 -3.099 -0.689 2.136 140 HB3 PHE 495 HB1 PHE 495 -3.600 0.921 1.636 141 HD1 PHE 495 HD2 PHE 495 -4.991 0.955 -0.640 142 HD2 PHE 495 HD1 PHE 495 -4.633 -2.381 1.983 143 HE1 PHE 495 HE2 PHE 495 -7.068 0.016 -1.553 144 HE2 PHE 495 HE1 PHE 495 -6.712 -3.326 1.072 145 HZ PHE 495 HZ PHE 495 -7.933 -2.127 -0.699 146 H ILE 496 HN ILE 496 -0.810 1.966 -0.209 147 HA ILE 496 HA ILE 496 1.308 1.217 1.685 148 HB ILE 496 HB ILE 496 1.422 3.603 -0.137 149 HG12 ILE 496 HG12 ILE 496 0.857 1.549 -1.503 150 HG13 ILE 496 HG11 ILE 496 2.371 2.340 -1.927 151 HG21 ILE 496 HG21 ILE 496 3.110 3.488 1.541 152 HG22 ILE 496 HG22 ILE 496 3.861 3.092 -0.002 153 HG23 ILE 496 HG23 ILE 496 3.479 1.810 1.142 154 HD11 ILE 496 HD11 ILE 496 3.557 0.637 -0.562 155 HD12 ILE 496 HD12 ILE 496 2.710 -0.007 -1.968 156 HD13 ILE 496 HD13 ILE 496 2.012 -0.194 -0.359 157 H ASP 497 HN ASP 497 0.716 1.981 3.745 158 HA ASP 497 HA ASP 497 -0.275 4.714 3.808 159 HB2 ASP 497 HB2 ASP 497 -0.958 4.464 5.945 160 HB3 ASP 497 HB1 ASP 497 -1.104 2.800 5.397 161 H HIS 498 HN HIS 498 0.913 6.318 3.931 162 HA HIS 498 HA HIS 498 3.763 5.933 4.041 163 HB2 HIS 498 HB2 HIS 498 2.072 8.349 3.398 164 HB3 HIS 498 HB1 HIS 498 3.835 8.370 3.403 165 HD1 HIS 498 HD1 HIS 498 5.057 7.158 1.491 166 HD2 HIS 498 HD2 HIS 498 0.890 6.952 1.206 167 HE1 HIS 498 HE1 HIS 498 4.579 6.108 -0.738 168 HE2 HIS 498 HE2 HIS 498 2.070 5.919 -0.854 169 H ASN 499 HN ASN 499 1.376 6.726 6.300 170 HA ASN 499 HA ASN 499 2.998 8.574 7.796 171 HB2 ASN 499 HB2 ASN 499 1.142 8.464 9.489 172 HB3 ASN 499 HB1 ASN 499 0.679 9.029 7.892 173 HD21 ASN 499 HD21 ASN 499 -0.706 7.816 6.651 174 HD22 ASN 499 HD22 ASN 499 -1.566 6.448 7.268 175 H THR 500 HN THR 500 1.800 5.226 8.488 176 HA THR 500 HA THR 500 3.741 5.015 10.633 177 HB THR 500 HB THR 500 3.007 2.804 11.019 178 HG1 THR 500 HG1 THR 500 1.663 2.867 8.494 179 HG21 THR 500 HG21 THR 500 1.363 4.497 11.661 180 HG22 THR 500 HG22 THR 500 0.577 2.990 11.192 181 HG23 THR 500 HG23 THR 500 0.599 4.359 10.080 182 H LYS 501 HN LYS 501 3.701 4.728 7.287 183 HA LYS 501 HA LYS 501 5.316 4.283 5.750 184 HB2 LYS 501 HB2 LYS 501 6.846 5.204 7.571 185 HB3 LYS 501 HB1 LYS 501 7.181 3.537 8.013 186 HG2 LYS 501 HG2 LYS 501 8.942 4.354 6.618 187 HG3 LYS 501 HG1 LYS 501 8.015 3.163 5.709 188 HD2 LYS 501 HD2 LYS 501 8.396 4.920 4.199 189 HD3 LYS 501 HD1 LYS 501 6.732 5.136 4.736 190 HE2 LYS 501 HE2 LYS 501 9.098 6.616 5.878 191 HE3 LYS 501 HE1 LYS 501 8.072 7.241 4.591 192 HZ1 LYS 501 HZ1 LYS 501 6.175 7.001 6.193 193 HZ2 LYS 501 HZ2 LYS 501 7.317 8.179 6.599 194 HZ3 LYS 501 HZ3 LYS 501 7.314 6.689 7.410 195 H THR 502 HN THR 502 3.401 2.419 6.528 196 HA THR 502 HA THR 502 4.813 -0.131 6.090 197 HB THR 502 HB THR 502 2.203 0.162 7.589 198 HG1 THR 502 HG1 THR 502 3.587 1.053 8.990 199 HG21 THR 502 HG21 THR 502 4.178 -2.121 7.387 200 HG22 THR 502 HG22 THR 502 2.594 -2.048 6.617 201 HG23 THR 502 HG23 THR 502 2.718 -2.114 8.377 202 H THR 503 HN THR 503 3.805 -1.587 4.635 203 HA THR 503 HA THR 503 1.355 -0.598 3.362 204 HB THR 503 HB THR 503 3.052 -0.321 1.716 205 HG1 THR 503 HG1 THR 503 1.044 -1.343 1.050 206 HG21 THR 503 HG21 THR 503 4.571 -2.016 0.976 207 HG22 THR 503 HG22 THR 503 3.824 -3.218 2.035 208 HG23 THR 503 HG23 THR 503 4.724 -1.868 2.728 209 H THR 504 HN THR 504 -0.245 -2.090 2.957 210 HA THR 504 HA THR 504 0.195 -4.866 3.658 211 HB THR 504 HB THR 504 -0.240 -3.969 5.853 212 HG1 THR 504 HG1 THR 504 -1.834 -5.371 6.377 213 HG21 THR 504 HG21 THR 504 -1.334 -1.878 5.212 214 HG22 THR 504 HG22 THR 504 -2.311 -2.761 6.387 215 HG23 THR 504 HG23 THR 504 -2.757 -2.775 4.681 216 H TRP 505 HN TRP 505 -1.428 -6.259 2.974 217 HA TRP 505 HA TRP 505 -2.979 -5.386 0.743 218 HB2 TRP 505 HB2 TRP 505 -3.070 -8.008 2.250 219 HB3 TRP 505 HB1 TRP 505 -3.797 -7.702 0.679 220 HD1 TRP 505 HD1 TRP 505 -0.571 -8.741 2.301 221 HE1 TRP 505 HE1 TRP 505 1.195 -9.188 0.480 222 HE3 TRP 505 HE3 TRP 505 -3.032 -6.764 -1.719 223 HZ2 TRP 505 HZ2 TRP 505 1.493 -8.764 -2.294 224 HZ3 TRP 505 HZ3 TRP 505 -1.942 -6.843 -3.929 225 HH2 TRP 505 HH2 TRP 505 0.268 -7.817 -4.207 226 H GLU 506 HN GLU 506 -3.498 -5.384 4.098 227 HA GLU 506 HA GLU 506 -6.377 -5.758 3.910 228 HB2 GLU 506 HB2 GLU 506 -4.578 -5.270 6.282 229 HB3 GLU 506 HB1 GLU 506 -6.313 -5.530 6.387 230 HG2 GLU 506 HG2 GLU 506 -6.070 -7.761 5.481 231 HG3 GLU 506 HG1 GLU 506 -4.339 -7.507 5.268 232 H ASP 507 HN ASP 507 -7.840 -4.299 3.922 233 HA ASP 507 HA ASP 507 -7.000 -1.664 3.379 234 HB2 ASP 507 HB2 ASP 507 -9.355 -1.181 2.958 235 HB3 ASP 507 HB1 ASP 507 -8.907 -2.707 2.201 236 HA PRO 508 HA PRO 508 -7.194 -0.027 7.457 237 HB2 PRO 508 HB2 PRO 508 -7.419 2.599 6.931 238 HB3 PRO 508 HB1 PRO 508 -5.943 1.694 6.573 239 HG2 PRO 508 HG2 PRO 508 -8.177 2.479 4.730 240 HG3 PRO 508 HG1 PRO 508 -6.425 2.588 4.473 241 HD2 PRO 508 HD2 PRO 508 -7.932 0.569 3.469 242 HD3 PRO 508 HD1 PRO 508 -6.237 0.358 3.944 243 H ARG 509 HN ARG 509 -9.875 -0.213 5.560 244 HA ARG 509 HA ARG 509 -12.052 0.453 5.632 245 HB2 ARG 509 HB2 ARG 509 -13.193 -0.295 7.672 246 HB3 ARG 509 HB1 ARG 509 -12.014 -1.466 7.113 247 HG2 ARG 509 HG2 ARG 509 -10.444 -0.680 8.835 248 HG3 ARG 509 HG1 ARG 509 -11.670 0.450 9.410 249 HD2 ARG 509 HD2 ARG 509 -13.170 -1.550 9.759 250 HD3 ARG 509 HD1 ARG 509 -11.756 -2.560 9.454 251 HE ARG 509 HE ARG 509 -11.334 -0.557 11.479 252 HH11 ARG 509 HH11 ARG 509 -12.452 -3.831 10.857 253 HH12 ARG 509 HH12 ARG 509 -12.303 -4.320 12.520 254 HH21 ARG 509 HH21 ARG 509 -11.095 -1.227 13.643 255 HH22 ARG 509 HH22 ARG 509 -11.512 -2.851 14.100 256 H1 ARG 925 HT1 ARG 925 -2.107 -18.196 0.770 257 H2 ARG 925 HT2 ARG 925 -0.565 -18.164 0.073 258 H3 ARG 925 HT3 ARG 925 -1.831 -17.285 -0.637 259 HA ARG 925 HA ARG 925 -1.975 -15.936 1.402 260 HB2 ARG 925 HB2 ARG 925 -0.809 -17.744 2.762 261 HB3 ARG 925 HB1 ARG 925 0.696 -17.197 2.036 262 HG2 ARG 925 HG2 ARG 925 0.392 -14.994 3.009 263 HG3 ARG 925 HG1 ARG 925 -1.152 -15.502 3.702 264 HD2 ARG 925 HD2 ARG 925 0.085 -17.286 4.940 265 HD3 ARG 925 HD1 ARG 925 1.588 -16.571 4.362 266 HE ARG 925 HE ARG 925 -0.141 -14.710 5.719 267 HH11 ARG 925 HH11 ARG 925 2.397 -17.083 6.083 268 HH12 ARG 925 HH12 ARG 925 2.935 -16.483 7.621 269 HH21 ARG 925 HH21 ARG 925 0.558 -13.894 7.753 270 HH22 ARG 925 HH22 ARG 925 1.894 -14.662 8.569 271 H LEU 926 HN LEU 926 -1.339 -13.919 0.904 272 HA LEU 926 HA LEU 926 0.313 -13.615 -1.448 273 HB2 LEU 926 HB2 LEU 926 -1.128 -11.551 0.219 274 HB3 LEU 926 HB1 LEU 926 -0.368 -11.257 -1.333 275 HG LEU 926 HG LEU 926 -2.727 -13.080 -0.860 276 HD11 LEU 926 HD11 LEU 926 -3.996 -11.388 -2.078 277 HD12 LEU 926 HD12 LEU 926 -2.563 -10.362 -2.149 278 HD13 LEU 926 HD13 LEU 926 -3.306 -10.733 -0.592 279 HD21 LEU 926 HD21 LEU 926 -2.866 -13.191 -3.293 280 HD22 LEU 926 HD22 LEU 926 -1.331 -13.838 -2.712 281 HD23 LEU 926 HD23 LEU 926 -1.394 -12.226 -3.427 282 H ASP 927 HN ASP 927 2.397 -13.096 -1.464 283 HA ASP 927 HA ASP 927 3.833 -12.716 0.963 284 HB2 ASP 927 HB2 ASP 927 5.814 -12.458 -0.472 285 HB3 ASP 927 HB1 ASP 927 4.868 -13.869 -0.925 286 H LEU 928 HN LEU 928 4.105 -10.933 2.058 287 HA LEU 928 HA LEU 928 3.661 -8.347 0.731 288 HB2 LEU 928 HB2 LEU 928 2.335 -9.047 2.796 289 HB3 LEU 928 HB1 LEU 928 3.830 -8.915 3.696 290 HG LEU 928 HG LEU 928 2.262 -6.963 3.897 291 HD11 LEU 928 HD11 LEU 928 4.593 -6.720 4.491 292 HD12 LEU 928 HD12 LEU 928 4.000 -5.253 3.713 293 HD13 LEU 928 HD13 LEU 928 5.009 -6.383 2.810 294 HD21 LEU 928 HD21 LEU 928 2.198 -5.341 2.077 295 HD22 LEU 928 HD22 LEU 928 1.486 -6.882 1.600 296 HD23 LEU 928 HD23 LEU 928 3.107 -6.453 1.053 297 HA PRO 929 HA PRO 929 8.108 -7.987 1.145 298 HB2 PRO 929 HB2 PRO 929 8.444 -5.903 -0.499 299 HB3 PRO 929 HB1 PRO 929 8.030 -7.505 -1.120 300 HG2 PRO 929 HG2 PRO 929 6.291 -5.110 -0.739 301 HG3 PRO 929 HG1 PRO 929 6.273 -6.317 -2.036 302 HD2 PRO 929 HD2 PRO 929 4.562 -6.270 0.163 303 HD3 PRO 929 HD1 PRO 929 4.855 -7.670 -0.887 304 HA PRO 930 HA PRO 930 8.416 -4.896 4.440 305 HB2 PRO 930 HB2 PRO 930 11.205 -4.741 4.118 306 HB3 PRO 930 HB1 PRO 930 10.350 -5.772 5.267 307 HG2 PRO 930 HG2 PRO 930 11.495 -6.437 2.604 308 HG3 PRO 930 HG1 PRO 930 11.363 -7.445 4.057 309 HD2 PRO 930 HD2 PRO 930 9.740 -7.794 1.945 310 HD3 PRO 930 HD1 PRO 930 9.161 -8.016 3.609 311 H TYR 931 HN TYR 931 8.221 -2.716 4.157 312 HA TYR 931 HA TYR 931 7.919 -1.900 1.501 313 HB2 TYR 931 HB2 TYR 931 6.560 -1.010 3.307 314 HB3 TYR 931 HB1 TYR 931 7.972 -0.273 4.047 315 HD1 TYR 931 HD1 TYR 931 6.706 -0.222 0.509 316 HD2 TYR 931 HD2 TYR 931 7.715 2.005 3.987 317 HE1 TYR 931 HE1 TYR 931 6.251 1.868 -0.698 318 HE2 TYR 931 HE2 TYR 931 7.265 4.095 2.793 319 HH TYR 931 HH TYR 931 7.197 4.904 0.459 320 H GLU 932 HN GLU 932 9.394 -1.466 0.128 321 HA GLU 932 HA GLU 932 11.626 0.324 0.815 322 HB2 GLU 932 HB2 GLU 932 12.228 -1.827 -0.322 323 HB3 GLU 932 HB1 GLU 932 11.193 -1.367 -1.667 324 HG2 GLU 932 HG2 GLU 932 13.516 -0.938 -2.182 325 HG3 GLU 932 HG1 GLU 932 12.604 0.570 -2.100 326 H THR 933 HN THR 933 11.730 2.336 -0.428 327 HA THR 933 HA THR 933 9.123 3.255 -1.027 328 HB THR 933 HB THR 933 11.550 4.712 -2.023 329 HG1 THR 933 HG1 THR 933 12.010 5.381 0.002 330 HG21 THR 933 HG21 THR 933 8.881 5.575 -0.879 331 HG22 THR 933 HG22 THR 933 9.325 5.584 -2.586 332 HG23 THR 933 HG23 THR 933 10.147 6.661 -1.453 333 H PHE 934 HN PHE 934 8.004 2.811 -2.642 334 HA PHE 934 HA PHE 934 9.061 2.315 -5.308 335 HB2 PHE 934 HB2 PHE 934 6.826 1.623 -5.864 336 HB3 PHE 934 HB1 PHE 934 7.145 0.960 -4.262 337 HD1 PHE 934 HD1 PHE 934 6.652 3.014 -2.405 338 HD2 PHE 934 HD2 PHE 934 4.633 2.235 -6.069 339 HE1 PHE 934 HE1 PHE 934 4.706 4.258 -1.597 340 HE2 PHE 934 HE2 PHE 934 2.679 3.469 -5.250 341 HZ PHE 934 HZ PHE 934 2.736 4.490 -3.018 342 H GLU 935 HN GLU 935 7.452 3.610 -7.026 343 HA GLU 935 HA GLU 935 8.176 6.265 -6.989 344 HB2 GLU 935 HB2 GLU 935 6.256 6.672 -8.531 345 HB3 GLU 935 HB1 GLU 935 7.253 5.302 -8.988 346 HG2 GLU 935 HG2 GLU 935 4.766 4.887 -7.364 347 HG3 GLU 935 HG1 GLU 935 4.675 5.111 -9.116 348 H ASP 936 HN ASP 936 7.675 7.935 -5.738 349 HA ASP 936 HA ASP 936 5.700 7.506 -3.670 350 HB2 ASP 936 HB2 ASP 936 7.953 8.352 -3.092 351 HB3 ASP 936 HB1 ASP 936 7.620 9.816 -4.014 352 H LEU 937 HN LEU 937 3.908 8.608 -3.351 353 HA LEU 937 HA LEU 937 2.643 9.799 -5.595 354 HB2 LEU 937 HB2 LEU 937 1.783 9.587 -2.707 355 HB3 LEU 937 HB1 LEU 937 0.762 10.192 -3.992 356 HG LEU 937 HG LEU 937 0.129 7.933 -3.513 357 HD11 LEU 937 HD11 LEU 937 1.713 8.009 -6.071 358 HD12 LEU 937 HD12 LEU 937 0.062 8.586 -5.853 359 HD13 LEU 937 HD13 LEU 937 0.425 6.868 -5.681 360 HD21 LEU 937 HD21 LEU 937 1.661 6.046 -3.735 361 HD22 LEU 937 HD22 LEU 937 2.166 7.149 -2.455 362 HD23 LEU 937 HD23 LEU 937 2.997 7.164 -4.011 363 HN1 NH2 938 H1 LEU 937 3.074 11.158 -2.345 364 HN2 NH2 938 H2 LEU 937 3.330 12.783 -2.869 Start of MODEL 4 1 H PHE 478 HT1 PHE 478 -11.112 8.855 -1.982 2 HA PHE 478 HA PHE 478 -9.820 6.342 -2.856 3 HB2 PHE 478 HB2 PHE 478 -9.473 8.371 -4.267 4 HB3 PHE 478 HB1 PHE 478 -8.864 9.221 -2.857 5 HD1 PHE 478 HD2 PHE 478 -8.202 6.342 -5.087 6 HD2 PHE 478 HD1 PHE 478 -6.603 9.100 -2.270 7 HE1 PHE 478 HE2 PHE 478 -5.931 5.558 -5.612 8 HE2 PHE 478 HE1 PHE 478 -4.327 8.323 -2.792 9 HZ PHE 478 HZ PHE 478 -3.990 6.548 -4.466 10 H LEU 479 HN LEU 479 -7.715 6.007 -1.771 11 HA LEU 479 HA LEU 479 -7.953 5.644 0.939 12 HB2 LEU 479 HB2 LEU 479 -5.860 5.450 -1.061 13 HB3 LEU 479 HB1 LEU 479 -5.220 5.919 0.501 14 HG LEU 479 HG LEU 479 -6.224 3.926 1.525 15 HD11 LEU 479 HD11 LEU 479 -7.254 2.207 0.184 16 HD12 LEU 479 HD12 LEU 479 -7.001 3.143 -1.290 17 HD13 LEU 479 HD13 LEU 479 -8.131 3.718 -0.058 18 HD21 LEU 479 HD21 LEU 479 -4.694 2.340 0.656 19 HD22 LEU 479 HD22 LEU 479 -3.930 3.922 0.483 20 HD23 LEU 479 HD23 LEU 479 -4.656 3.136 -0.916 21 HA PRO 480 HA PRO 480 -7.501 9.403 3.321 22 HB2 PRO 480 HB2 PRO 480 -5.524 7.480 4.507 23 HB3 PRO 480 HB1 PRO 480 -6.566 8.619 5.356 24 HG2 PRO 480 HG2 PRO 480 -7.298 6.101 5.184 25 HG3 PRO 480 HG1 PRO 480 -8.499 7.374 4.881 26 HD2 PRO 480 HD2 PRO 480 -7.173 5.536 2.965 27 HD3 PRO 480 HD1 PRO 480 -8.756 6.332 2.860 28 HA PRO 481 HA PRO 481 -4.200 11.735 1.695 29 HB2 PRO 481 HB2 PRO 481 -3.585 12.728 4.421 30 HB3 PRO 481 HB1 PRO 481 -4.008 13.624 2.959 31 HG2 PRO 481 HG2 PRO 481 -5.777 13.313 4.926 32 HG3 PRO 481 HG1 PRO 481 -6.280 13.249 3.227 33 HD2 PRO 481 HD2 PRO 481 -5.880 11.016 5.173 34 HD3 PRO 481 HD1 PRO 481 -7.119 11.213 3.916 35 H GLY 482 HN GLY 482 -3.381 9.591 4.320 36 HA2 GLY 482 HA2 GLY 482 -0.563 9.726 3.434 37 HA3 GLY 482 HA1 GLY 482 -1.034 9.255 5.053 38 H TRP 483 HN TRP 483 -3.286 7.968 3.105 39 HA TRP 483 HA TRP 483 -1.905 5.393 3.003 40 HB2 TRP 483 HB2 TRP 483 -4.809 6.187 2.882 41 HB3 TRP 483 HB1 TRP 483 -4.279 4.594 2.370 42 HD1 TRP 483 HD1 TRP 483 -4.194 6.801 5.539 43 HE1 TRP 483 HE1 TRP 483 -4.322 5.261 7.586 44 HE3 TRP 483 HE3 TRP 483 -3.998 2.290 3.145 45 HZ2 TRP 483 HZ2 TRP 483 -4.335 2.483 8.112 46 HZ3 TRP 483 HZ3 TRP 483 -4.067 0.237 4.497 47 HH2 TRP 483 HH2 TRP 483 -4.228 0.333 6.933 48 H GLU 484 HN GLU 484 -1.078 4.757 1.157 49 HA GLU 484 HA GLU 484 -2.066 6.013 -1.317 50 HB2 GLU 484 HB2 GLU 484 0.483 6.066 -0.216 51 HB3 GLU 484 HB1 GLU 484 0.588 4.843 -1.458 52 HG2 GLU 484 HG2 GLU 484 -0.359 7.659 -1.852 53 HG3 GLU 484 HG1 GLU 484 1.239 7.056 -2.265 54 H MET 485 HN MET 485 -2.441 4.688 -3.063 55 HA MET 485 HA MET 485 -2.650 1.819 -2.344 56 HB2 MET 485 HB2 MET 485 -4.829 3.000 -2.402 57 HB3 MET 485 HB1 MET 485 -4.526 3.468 -4.068 58 HG2 MET 485 HG2 MET 485 -4.556 1.148 -4.747 59 HG3 MET 485 HG1 MET 485 -4.796 0.643 -3.078 60 HE1 MET 485 HE1 MET 485 -6.412 3.789 -4.826 61 HE2 MET 485 HE2 MET 485 -7.891 3.085 -5.482 62 HE3 MET 485 HE3 MET 485 -6.322 2.594 -6.121 63 H ARG 486 HN ARG 486 -1.171 0.735 -3.474 64 HA ARG 486 HA ARG 486 -0.610 1.619 -6.230 65 HB2 ARG 486 HB2 ARG 486 1.383 0.596 -4.206 66 HB3 ARG 486 HB1 ARG 486 1.744 1.058 -5.864 67 HG2 ARG 486 HG2 ARG 486 0.747 2.880 -3.688 68 HG3 ARG 486 HG1 ARG 486 2.391 2.807 -4.328 69 HD2 ARG 486 HD2 ARG 486 -0.078 3.536 -5.892 70 HD3 ARG 486 HD1 ARG 486 1.126 4.672 -5.284 71 HE ARG 486 HE ARG 486 2.516 2.844 -6.808 72 HH11 ARG 486 HH11 ARG 486 -0.068 5.160 -7.314 73 HH12 ARG 486 HH12 ARG 486 0.364 5.452 -8.971 74 HH21 ARG 486 HH21 ARG 486 3.062 3.196 -8.964 75 HH22 ARG 486 HH22 ARG 486 2.150 4.330 -9.908 76 H ILE 487 HN ILE 487 0.008 0.035 -7.717 77 HA ILE 487 HA ILE 487 -0.649 -2.705 -6.866 78 HB ILE 487 HB ILE 487 -1.207 -1.403 -9.531 79 HG12 ILE 487 HG12 ILE 487 -3.018 -2.443 -7.344 80 HG13 ILE 487 HG11 ILE 487 -2.815 -0.763 -7.832 81 HG21 ILE 487 HG21 ILE 487 -2.231 -3.534 -10.178 82 HG22 ILE 487 HG22 ILE 487 -1.684 -4.251 -8.663 83 HG23 ILE 487 HG23 ILE 487 -0.505 -3.710 -9.855 84 HD11 ILE 487 HD11 ILE 487 -3.807 -1.266 -9.993 85 HD12 ILE 487 HD12 ILE 487 -4.891 -1.711 -8.674 86 HD13 ILE 487 HD13 ILE 487 -3.979 -2.958 -9.524 87 H ALA 488 HN ALA 488 0.836 -4.240 -7.218 88 HA ALA 488 HA ALA 488 3.200 -3.574 -8.754 89 HB1 ALA 488 HB1 ALA 488 3.529 -4.657 -6.614 90 HB2 ALA 488 HB2 ALA 488 4.125 -5.663 -7.934 91 HB3 ALA 488 HB3 ALA 488 2.583 -6.038 -7.167 92 HA PRO 489 HA PRO 489 2.290 -4.468 -12.786 93 HB2 PRO 489 HB2 PRO 489 3.843 -7.002 -12.419 94 HB3 PRO 489 HB1 PRO 489 3.854 -5.866 -13.774 95 HG2 PRO 489 HG2 PRO 489 5.659 -5.819 -11.684 96 HG3 PRO 489 HG1 PRO 489 5.273 -4.435 -12.717 97 HD2 PRO 489 HD2 PRO 489 4.754 -4.708 -9.925 98 HD3 PRO 489 HD1 PRO 489 4.241 -3.383 -10.988 99 H ASN 490 HN ASN 490 2.274 -7.848 -11.502 100 HA ASN 490 HA ASN 490 0.143 -8.424 -13.320 101 HB2 ASN 490 HB2 ASN 490 0.341 -10.710 -12.662 102 HB3 ASN 490 HB1 ASN 490 1.961 -10.042 -12.795 103 HD21 ASN 490 HD21 ASN 490 -0.474 -11.257 -10.633 104 HD22 ASN 490 HD22 ASN 490 0.567 -11.446 -9.261 105 H GLY 491 HN GLY 491 -0.263 -6.736 -10.636 106 HA2 GLY 491 HA2 GLY 491 -2.623 -6.313 -10.162 107 HA3 GLY 491 HA1 GLY 491 -2.874 -8.045 -10.201 108 H ARG 492 HN ARG 492 -0.225 -6.429 -8.485 109 HA ARG 492 HA ARG 492 -1.251 -7.509 -5.966 110 HB2 ARG 492 HB2 ARG 492 1.254 -5.970 -6.626 111 HB3 ARG 492 HB1 ARG 492 0.803 -6.411 -4.994 112 HG2 ARG 492 HG2 ARG 492 2.354 -7.964 -5.569 113 HG3 ARG 492 HG1 ARG 492 0.842 -8.827 -5.868 114 HD2 ARG 492 HD2 ARG 492 1.366 -9.084 -8.035 115 HD3 ARG 492 HD1 ARG 492 1.811 -7.378 -8.199 116 HE ARG 492 HE ARG 492 3.694 -9.046 -6.765 117 HH11 ARG 492 HH11 ARG 492 2.873 -7.594 -9.834 118 HH12 ARG 492 HH12 ARG 492 4.479 -7.763 -10.481 119 HH21 ARG 492 HH21 ARG 492 5.786 -9.208 -7.568 120 HH22 ARG 492 HH22 ARG 492 6.157 -8.618 -9.166 121 HA PRO 493 HA PRO 493 -2.733 -3.287 -5.237 122 HB2 PRO 493 HB2 PRO 493 -4.992 -4.040 -3.864 123 HB3 PRO 493 HB1 PRO 493 -4.911 -3.861 -5.616 124 HG2 PRO 493 HG2 PRO 493 -5.234 -6.278 -4.076 125 HG3 PRO 493 HG1 PRO 493 -5.256 -6.082 -5.835 126 HD2 PRO 493 HD2 PRO 493 -3.079 -7.002 -4.082 127 HD3 PRO 493 HD1 PRO 493 -3.282 -7.215 -5.832 128 H PHE 494 HN PHE 494 -1.262 -2.549 -3.716 129 HA PHE 494 HA PHE 494 -1.762 -3.478 -0.976 130 HB2 PHE 494 HB2 PHE 494 0.617 -3.110 -0.437 131 HB3 PHE 494 HB1 PHE 494 0.369 -4.368 -1.632 132 HD1 PHE 494 HD1 PHE 494 1.269 -0.758 -1.347 133 HD2 PHE 494 HD2 PHE 494 1.645 -4.373 -3.564 134 HE1 PHE 494 HE1 PHE 494 2.993 0.306 -2.755 135 HE2 PHE 494 HE2 PHE 494 3.364 -3.341 -4.965 136 HZ PHE 494 HZ PHE 494 4.043 -1.003 -4.574 137 H PHE 495 HN PHE 495 -1.877 -2.043 0.621 138 HA PHE 495 HA PHE 495 -2.079 0.774 -0.168 139 HB2 PHE 495 HB2 PHE 495 -3.293 -0.446 2.307 140 HB3 PHE 495 HB1 PHE 495 -3.758 1.034 1.476 141 HD1 PHE 495 HD2 PHE 495 -4.891 0.845 -0.777 142 HD2 PHE 495 HD1 PHE 495 -4.289 -2.496 1.787 143 HE1 PHE 495 HE2 PHE 495 -6.617 -0.402 -2.005 144 HE2 PHE 495 HE1 PHE 495 -6.014 -3.752 0.562 145 HZ PHE 495 HZ PHE 495 -7.180 -2.705 -1.338 146 H ILE 496 HN ILE 496 -0.460 2.002 0.513 147 HA ILE 496 HA ILE 496 1.145 1.144 2.821 148 HB ILE 496 HB ILE 496 1.833 3.431 0.981 149 HG12 ILE 496 HG12 ILE 496 3.452 1.616 -0.032 150 HG13 ILE 496 HG11 ILE 496 2.199 0.501 0.500 151 HG21 ILE 496 HG21 ILE 496 3.054 3.309 3.070 152 HG22 ILE 496 HG22 ILE 496 4.123 2.933 1.719 153 HG23 ILE 496 HG23 ILE 496 3.501 1.636 2.737 154 HD11 ILE 496 HD11 ILE 496 0.554 1.720 -0.834 155 HD12 ILE 496 HD12 ILE 496 1.886 1.111 -1.817 156 HD13 ILE 496 HD13 ILE 496 1.824 2.817 -1.379 157 H ASP 497 HN ASP 497 0.499 2.071 4.735 158 HA ASP 497 HA ASP 497 -0.379 4.846 4.592 159 HB2 ASP 497 HB2 ASP 497 -1.069 4.748 6.795 160 HB3 ASP 497 HB1 ASP 497 -1.413 3.122 6.227 161 H HIS 498 HN HIS 498 0.906 6.434 4.753 162 HA HIS 498 HA HIS 498 3.716 5.831 4.816 163 HB2 HIS 498 HB2 HIS 498 2.173 8.324 4.141 164 HB3 HIS 498 HB1 HIS 498 3.935 8.283 4.187 165 HD1 HIS 498 HD1 HIS 498 5.155 7.101 2.284 166 HD2 HIS 498 HD2 HIS 498 0.994 6.853 1.994 167 HE1 HIS 498 HE1 HIS 498 4.680 6.129 0.008 168 HE2 HIS 498 HE2 HIS 498 2.172 6.202 -0.212 169 H ASN 499 HN ASN 499 1.536 6.713 7.193 170 HA ASN 499 HA ASN 499 3.342 8.446 8.619 171 HB2 ASN 499 HB2 ASN 499 1.674 8.369 10.460 172 HB3 ASN 499 HB1 ASN 499 0.997 8.890 8.926 173 HD21 ASN 499 HD21 ASN 499 -0.508 7.601 7.896 174 HD22 ASN 499 HD22 ASN 499 -1.272 6.255 8.669 175 H THR 500 HN THR 500 2.096 5.105 9.217 176 HA THR 500 HA THR 500 4.230 4.664 11.118 177 HB THR 500 HB THR 500 3.482 2.378 11.285 178 HG1 THR 500 HG1 THR 500 1.644 2.948 9.163 179 HG21 THR 500 HG21 THR 500 1.134 4.265 11.115 180 HG22 THR 500 HG22 THR 500 2.183 4.027 12.511 181 HG23 THR 500 HG23 THR 500 1.144 2.715 11.956 182 H LYS 501 HN LYS 501 3.780 4.460 7.756 183 HA LYS 501 HA LYS 501 5.134 3.965 6.014 184 HB2 LYS 501 HB2 LYS 501 6.926 5.019 7.404 185 HB3 LYS 501 HB1 LYS 501 7.309 3.426 8.047 186 HG2 LYS 501 HG2 LYS 501 7.873 2.659 5.786 187 HG3 LYS 501 HG1 LYS 501 7.517 4.270 5.159 188 HD2 LYS 501 HD2 LYS 501 9.600 3.677 7.257 189 HD3 LYS 501 HD1 LYS 501 9.941 3.843 5.533 190 HE2 LYS 501 HE2 LYS 501 9.166 6.123 5.553 191 HE3 LYS 501 HE1 LYS 501 8.656 5.973 7.235 192 HZ1 LYS 501 HZ1 LYS 501 11.464 5.719 6.296 193 HZ2 LYS 501 HZ2 LYS 501 10.929 5.715 7.906 194 HZ3 LYS 501 HZ3 LYS 501 10.795 7.121 6.974 195 H THR 502 HN THR 502 3.397 2.101 6.685 196 HA THR 502 HA THR 502 4.895 -0.398 6.304 197 HB THR 502 HB THR 502 3.199 -1.637 7.603 198 HG1 THR 502 HG1 THR 502 2.238 0.987 8.163 199 HG21 THR 502 HG21 THR 502 3.955 -0.949 9.832 200 HG22 THR 502 HG22 THR 502 4.582 0.552 9.151 201 HG23 THR 502 HG23 THR 502 5.290 -0.994 8.679 202 H THR 503 HN THR 503 3.867 -1.978 5.038 203 HA THR 503 HA THR 503 1.786 -0.883 3.279 204 HB THR 503 HB THR 503 3.675 -3.169 2.695 205 HG1 THR 503 HG1 THR 503 4.092 -0.466 2.718 206 HG21 THR 503 HG21 THR 503 1.867 -1.490 0.965 207 HG22 THR 503 HG22 THR 503 1.745 -3.221 1.276 208 HG23 THR 503 HG23 THR 503 3.096 -2.585 0.334 209 H THR 504 HN THR 504 -0.199 -1.726 3.493 210 HA THR 504 HA THR 504 -0.460 -4.343 4.805 211 HB THR 504 HB THR 504 -2.766 -3.668 5.349 212 HG1 THR 504 HG1 THR 504 -3.571 -2.124 4.143 213 HG21 THR 504 HG21 THR 504 -2.242 -1.903 6.970 214 HG22 THR 504 HG22 THR 504 -0.706 -1.612 6.154 215 HG23 THR 504 HG23 THR 504 -0.999 -3.157 6.955 216 H TRP 505 HN TRP 505 -1.832 -5.912 3.970 217 HA TRP 505 HA TRP 505 -2.581 -5.593 1.155 218 HB2 TRP 505 HB2 TRP 505 -2.487 -8.015 2.964 219 HB3 TRP 505 HB1 TRP 505 -3.158 -8.052 1.338 220 HD1 TRP 505 HD1 TRP 505 -0.024 -8.669 3.127 221 HE1 TRP 505 HE1 TRP 505 1.951 -8.820 1.483 222 HE3 TRP 505 HE3 TRP 505 -2.263 -6.708 -1.030 223 HZ2 TRP 505 HZ2 TRP 505 2.495 -8.183 -1.210 224 HZ3 TRP 505 HZ3 TRP 505 -0.945 -6.512 -3.099 225 HH2 TRP 505 HH2 TRP 505 1.385 -7.233 -3.185 226 H GLU 506 HN GLU 506 -3.863 -5.215 4.197 227 HA GLU 506 HA GLU 506 -6.585 -5.928 3.407 228 HB2 GLU 506 HB2 GLU 506 -5.813 -6.749 5.595 229 HB3 GLU 506 HB1 GLU 506 -5.476 -5.100 6.098 230 HG2 GLU 506 HG2 GLU 506 -7.550 -5.861 7.064 231 HG3 GLU 506 HG1 GLU 506 -7.861 -4.563 5.914 232 H ASP 507 HN ASP 507 -8.209 -4.601 3.290 233 HA ASP 507 HA ASP 507 -7.467 -1.913 2.646 234 HB2 ASP 507 HB2 ASP 507 -9.015 -3.328 1.236 235 HB3 ASP 507 HB1 ASP 507 -10.213 -3.168 2.514 236 HA PRO 508 HA PRO 508 -8.656 -0.465 6.673 237 HB2 PRO 508 HB2 PRO 508 -8.667 2.198 6.203 238 HB3 PRO 508 HB1 PRO 508 -7.180 1.252 6.324 239 HG2 PRO 508 HG2 PRO 508 -8.609 2.229 3.895 240 HG3 PRO 508 HG1 PRO 508 -6.871 2.163 4.221 241 HD2 PRO 508 HD2 PRO 508 -8.194 0.326 2.686 242 HD3 PRO 508 HD1 PRO 508 -6.709 -0.031 3.588 243 H ARG 509 HN ARG 509 -10.812 -0.961 4.445 244 HA ARG 509 HA ARG 509 -12.847 0.921 4.852 245 HB2 ARG 509 HB2 ARG 509 -14.360 -1.184 4.285 246 HB3 ARG 509 HB1 ARG 509 -13.420 -0.350 3.064 247 HG2 ARG 509 HG2 ARG 509 -12.940 -2.514 2.557 248 HG3 ARG 509 HG1 ARG 509 -11.615 -2.150 3.655 249 HD2 ARG 509 HD2 ARG 509 -14.140 -3.325 4.735 250 HD3 ARG 509 HD1 ARG 509 -12.990 -4.364 3.897 251 HE ARG 509 HE ARG 509 -12.206 -2.714 6.214 252 HH11 ARG 509 HH11 ARG 509 -12.461 -5.844 4.638 253 HH12 ARG 509 HH12 ARG 509 -11.378 -6.627 5.747 254 HH21 ARG 509 HH21 ARG 509 -10.814 -3.757 7.681 255 HH22 ARG 509 HH22 ARG 509 -10.472 -5.448 7.509 256 H1 ARG 925 HT1 ARG 925 -1.247 -19.344 1.261 257 H2 ARG 925 HT2 ARG 925 -0.668 -18.735 -0.217 258 H3 ARG 925 HT3 ARG 925 -1.985 -17.993 0.552 259 HA ARG 925 HA ARG 925 -0.646 -17.249 2.347 260 HB2 ARG 925 HB2 ARG 925 0.882 -19.234 2.315 261 HB3 ARG 925 HB1 ARG 925 1.677 -18.544 0.905 262 HG2 ARG 925 HG2 ARG 925 2.169 -16.515 2.318 263 HG3 ARG 925 HG1 ARG 925 1.609 -17.451 3.705 264 HD2 ARG 925 HD2 ARG 925 3.985 -17.644 3.610 265 HD3 ARG 925 HD1 ARG 925 3.298 -19.191 3.115 266 HE ARG 925 HE ARG 925 4.383 -17.176 1.233 267 HH11 ARG 925 HH11 ARG 925 3.766 -20.511 2.164 268 HH12 ARG 925 HH12 ARG 925 4.629 -21.174 0.810 269 HH21 ARG 925 HH21 ARG 925 5.526 -18.066 -0.539 270 HH22 ARG 925 HH22 ARG 925 5.623 -19.793 -0.719 271 H LEU 926 HN LEU 926 -0.635 -15.143 1.951 272 HA LEU 926 HA LEU 926 0.518 -14.197 -0.582 273 HB2 LEU 926 HB2 LEU 926 -1.818 -13.546 -0.091 274 HB3 LEU 926 HB1 LEU 926 -1.276 -12.756 1.377 275 HG LEU 926 HG LEU 926 -0.006 -11.132 0.065 276 HD11 LEU 926 HD11 LEU 926 0.574 -12.556 -1.834 277 HD12 LEU 926 HD12 LEU 926 -0.204 -11.067 -2.370 278 HD13 LEU 926 HD13 LEU 926 -1.115 -12.577 -2.341 279 HD21 LEU 926 HD21 LEU 926 -1.895 -9.964 -0.951 280 HD22 LEU 926 HD22 LEU 926 -2.335 -10.653 0.613 281 HD23 LEU 926 HD23 LEU 926 -2.854 -11.442 -0.878 282 H ASP 927 HN ASP 927 2.482 -13.335 -0.523 283 HA ASP 927 HA ASP 927 3.631 -12.697 2.092 284 HB2 ASP 927 HB2 ASP 927 4.860 -13.419 -0.561 285 HB3 ASP 927 HB1 ASP 927 5.818 -12.717 0.738 286 H LEU 928 HN LEU 928 4.078 -10.706 2.676 287 HA LEU 928 HA LEU 928 3.624 -8.476 0.911 288 HB2 LEU 928 HB2 LEU 928 2.998 -8.362 3.271 289 HB3 LEU 928 HB1 LEU 928 4.664 -8.628 3.743 290 HG LEU 928 HG LEU 928 5.250 -6.459 2.624 291 HD11 LEU 928 HD11 LEU 928 3.343 -6.296 1.125 292 HD12 LEU 928 HD12 LEU 928 3.440 -4.882 2.175 293 HD13 LEU 928 HD13 LEU 928 2.256 -6.147 2.504 294 HD21 LEU 928 HD21 LEU 928 4.974 -6.624 5.037 295 HD22 LEU 928 HD22 LEU 928 3.239 -6.348 4.870 296 HD23 LEU 928 HD23 LEU 928 4.384 -5.074 4.443 297 HA PRO 929 HA PRO 929 7.938 -8.382 -0.326 298 HB2 PRO 929 HB2 PRO 929 7.762 -6.299 -2.031 299 HB3 PRO 929 HB1 PRO 929 7.177 -7.912 -2.452 300 HG2 PRO 929 HG2 PRO 929 5.646 -5.507 -1.572 301 HG3 PRO 929 HG1 PRO 929 5.227 -6.721 -2.792 302 HD2 PRO 929 HD2 PRO 929 4.219 -6.678 -0.241 303 HD3 PRO 929 HD1 PRO 929 4.329 -8.136 -1.246 304 HA PRO 930 HA PRO 930 9.605 -5.418 2.592 305 HB2 PRO 930 HB2 PRO 930 11.969 -5.059 1.094 306 HB3 PRO 930 HB1 PRO 930 11.731 -6.193 2.424 307 HG2 PRO 930 HG2 PRO 930 11.609 -6.661 -0.510 308 HG3 PRO 930 HG1 PRO 930 12.152 -7.746 0.782 309 HD2 PRO 930 HD2 PRO 930 9.785 -8.092 -0.422 310 HD3 PRO 930 HD1 PRO 930 9.985 -8.389 1.320 311 H TYR 931 HN TYR 931 9.347 -3.251 2.686 312 HA TYR 931 HA TYR 931 8.412 -1.980 0.273 313 HB2 TYR 931 HB2 TYR 931 7.128 -1.691 2.301 314 HB3 TYR 931 HB1 TYR 931 8.530 -1.066 3.153 315 HD1 TYR 931 HD2 TYR 931 6.847 -0.197 -0.101 316 HD2 TYR 931 HD1 TYR 931 8.284 1.155 3.670 317 HE1 TYR 931 HE2 TYR 931 6.171 2.096 -0.668 318 HE2 TYR 931 HE1 TYR 931 7.600 3.444 3.117 319 HH TYR 931 HH TYR 931 7.187 4.798 1.097 320 H GLU 932 HN GLU 932 9.755 -1.047 -1.056 321 HA GLU 932 HA GLU 932 11.837 0.742 0.005 322 HB2 GLU 932 HB2 GLU 932 11.386 -0.317 -2.803 323 HB3 GLU 932 HB1 GLU 932 12.591 0.888 -2.388 324 HG2 GLU 932 HG2 GLU 932 13.892 -0.961 -2.404 325 HG3 GLU 932 HG1 GLU 932 13.390 -0.979 -0.715 326 H THR 933 HN THR 933 11.686 2.993 -0.624 327 HA THR 933 HA THR 933 8.962 3.776 -0.779 328 HB THR 933 HB THR 933 11.298 5.627 -1.226 329 HG1 THR 933 HG1 THR 933 11.828 5.009 0.749 330 HG21 THR 933 HG21 THR 933 9.742 7.268 -0.211 331 HG22 THR 933 HG22 THR 933 8.497 6.017 -0.137 332 HG23 THR 933 HG23 THR 933 9.097 6.573 -1.698 333 H PHE 934 HN PHE 934 7.784 3.799 -2.415 334 HA PHE 934 HA PHE 934 8.748 4.085 -5.128 335 HB2 PHE 934 HB2 PHE 934 6.529 3.479 -5.804 336 HB3 PHE 934 HB1 PHE 934 6.947 2.421 -4.458 337 HD1 PHE 934 HD2 PHE 934 5.908 2.750 -2.249 338 HD2 PHE 934 HD1 PHE 934 4.847 5.081 -5.633 339 HE1 PHE 934 HE2 PHE 934 3.919 3.572 -1.064 340 HE2 PHE 934 HE1 PHE 934 2.864 5.907 -4.462 341 HZ PHE 934 HZ PHE 934 2.425 5.152 -2.193 342 H GLU 935 HN GLU 935 6.845 5.621 -6.363 343 HA GLU 935 HA GLU 935 7.966 8.119 -6.112 344 HB2 GLU 935 HB2 GLU 935 5.970 8.960 -7.348 345 HB3 GLU 935 HB1 GLU 935 6.707 7.537 -8.065 346 HG2 GLU 935 HG2 GLU 935 4.519 6.950 -6.167 347 HG3 GLU 935 HG1 GLU 935 4.051 7.855 -7.618 348 H ASP 936 HN ASP 936 7.593 9.946 -5.064 349 HA ASP 936 HA ASP 936 6.470 10.076 -2.549 350 HB2 ASP 936 HB2 ASP 936 8.026 11.746 -3.154 351 HB3 ASP 936 HB1 ASP 936 7.112 12.195 -4.590 352 H LEU 937 HN LEU 937 4.524 10.430 -1.735 353 HA LEU 937 HA LEU 937 2.207 10.018 -3.251 354 HB2 LEU 937 HB2 LEU 937 2.775 9.820 -0.667 355 HB3 LEU 937 HB1 LEU 937 2.091 11.431 -0.622 356 HG LEU 937 HG LEU 937 0.665 8.943 -1.574 357 HD11 LEU 937 HD11 LEU 937 0.359 10.559 0.951 358 HD12 LEU 937 HD12 LEU 937 1.047 8.939 0.826 359 HD13 LEU 937 HD13 LEU 937 -0.660 9.203 0.466 360 HD21 LEU 937 HD21 LEU 937 -0.125 10.935 -2.731 361 HD22 LEU 937 HD22 LEU 937 -0.358 11.754 -1.186 362 HD23 LEU 937 HD23 LEU 937 -1.335 10.343 -1.593 363 HN1 NH2 938 H1 LEU 937 2.699 12.916 -1.286 364 HN2 NH2 938 H2 LEU 937 2.090 14.037 -2.450 Start of MODEL 5 1 H PHE 478 HT1 PHE 478 -13.518 8.297 1.779 2 HA PHE 478 HA PHE 478 -12.389 6.534 0.697 3 HB2 PHE 478 HB2 PHE 478 -10.186 7.005 -0.414 4 HB3 PHE 478 HB1 PHE 478 -11.582 7.571 -1.308 5 HD1 PHE 478 HD2 PHE 478 -12.173 10.073 -1.089 6 HD2 PHE 478 HD1 PHE 478 -8.434 8.424 0.091 7 HE1 PHE 478 HE2 PHE 478 -11.151 12.308 -1.206 8 HE2 PHE 478 HE1 PHE 478 -7.407 10.655 -0.022 9 HZ PHE 478 HZ PHE 478 -8.766 12.602 -0.672 10 H LEU 479 HN LEU 479 -10.149 5.768 1.283 11 HA LEU 479 HA LEU 479 -9.704 5.895 3.997 12 HB2 LEU 479 HB2 LEU 479 -7.748 4.626 3.574 13 HB3 LEU 479 HB1 LEU 479 -8.938 4.154 2.385 14 HG LEU 479 HG LEU 479 -6.461 5.825 1.943 15 HD11 LEU 479 HD11 LEU 479 -5.876 4.032 0.417 16 HD12 LEU 479 HD12 LEU 479 -7.390 3.209 0.786 17 HD13 LEU 479 HD13 LEU 479 -6.164 3.403 2.040 18 HD21 LEU 479 HD21 LEU 479 -7.089 5.945 -0.420 19 HD22 LEU 479 HD22 LEU 479 -8.244 6.806 0.598 20 HD23 LEU 479 HD23 LEU 479 -8.648 5.214 -0.045 21 HA PRO 480 HA PRO 480 -7.262 9.393 5.386 22 HB2 PRO 480 HB2 PRO 480 -5.251 7.189 5.681 23 HB3 PRO 480 HB1 PRO 480 -5.552 8.538 6.771 24 HG2 PRO 480 HG2 PRO 480 -6.599 6.176 7.308 25 HG3 PRO 480 HG1 PRO 480 -7.588 7.636 7.506 26 HD2 PRO 480 HD2 PRO 480 -7.737 5.522 5.435 27 HD3 PRO 480 HD1 PRO 480 -9.007 6.602 6.042 28 HA PRO 481 HA PRO 481 -5.024 10.542 1.719 29 HB2 PRO 481 HB2 PRO 481 -3.722 12.565 3.434 30 HB3 PRO 481 HB1 PRO 481 -4.704 12.783 1.983 31 HG2 PRO 481 HG2 PRO 481 -5.667 13.393 4.397 32 HG3 PRO 481 HG1 PRO 481 -6.702 12.664 3.155 33 HD2 PRO 481 HD2 PRO 481 -5.392 11.383 5.526 34 HD3 PRO 481 HD1 PRO 481 -7.030 11.144 4.880 35 H GLY 482 HN GLY 482 -3.463 9.511 4.604 36 HA2 GLY 482 HA2 GLY 482 -0.819 9.518 3.349 37 HA3 GLY 482 HA1 GLY 482 -1.170 9.024 4.990 38 H TRP 483 HN TRP 483 -3.525 7.583 3.443 39 HA TRP 483 HA TRP 483 -2.020 5.110 3.031 40 HB2 TRP 483 HB2 TRP 483 -4.930 5.721 3.490 41 HB3 TRP 483 HB1 TRP 483 -4.425 4.170 2.832 42 HD1 TRP 483 HD1 TRP 483 -3.682 6.324 6.001 43 HE1 TRP 483 HE1 TRP 483 -3.349 4.695 7.972 44 HE3 TRP 483 HE3 TRP 483 -4.078 1.894 3.465 45 HZ2 TRP 483 HZ2 TRP 483 -3.280 1.902 8.389 46 HZ3 TRP 483 HZ3 TRP 483 -3.867 -0.206 4.726 47 HH2 TRP 483 HH2 TRP 483 -3.475 -0.202 7.137 48 H GLU 484 HN GLU 484 -1.329 4.802 1.068 49 HA GLU 484 HA GLU 484 -2.760 6.063 -1.167 50 HB2 GLU 484 HB2 GLU 484 -0.080 6.111 -0.369 51 HB3 GLU 484 HB1 GLU 484 -0.105 5.061 -1.767 52 HG2 GLU 484 HG2 GLU 484 -1.264 7.833 -1.717 53 HG3 GLU 484 HG1 GLU 484 0.364 7.448 -2.265 54 H MET 485 HN MET 485 -3.302 4.889 -2.973 55 HA MET 485 HA MET 485 -3.219 1.949 -2.628 56 HB2 MET 485 HB2 MET 485 -5.142 3.693 -4.197 57 HB3 MET 485 HB1 MET 485 -5.138 1.939 -4.244 58 HG2 MET 485 HG2 MET 485 -5.611 1.858 -1.895 59 HG3 MET 485 HG1 MET 485 -5.577 3.618 -1.798 60 HE1 MET 485 HE1 MET 485 -8.673 4.555 -4.062 61 HE2 MET 485 HE2 MET 485 -6.997 4.368 -4.578 62 HE3 MET 485 HE3 MET 485 -7.366 5.190 -3.062 63 H ARG 486 HN ARG 486 -1.692 1.060 -3.795 64 HA ARG 486 HA ARG 486 -1.198 2.040 -6.518 65 HB2 ARG 486 HB2 ARG 486 0.917 1.709 -4.388 66 HB3 ARG 486 HB1 ARG 486 1.268 1.905 -6.099 67 HG2 ARG 486 HG2 ARG 486 -0.212 3.904 -4.403 68 HG3 ARG 486 HG1 ARG 486 1.498 3.997 -4.831 69 HD2 ARG 486 HD2 ARG 486 -0.822 4.011 -6.759 70 HD3 ARG 486 HD1 ARG 486 0.136 5.415 -6.286 71 HE ARG 486 HE ARG 486 1.968 3.641 -7.267 72 HH11 ARG 486 HH11 ARG 486 -0.924 5.174 -8.512 73 HH12 ARG 486 HH12 ARG 486 -0.405 5.095 -10.166 74 HH21 ARG 486 HH21 ARG 486 2.649 3.524 -9.418 75 HH22 ARG 486 HH22 ARG 486 1.621 4.134 -10.695 76 H ILE 487 HN ILE 487 -0.357 0.540 -7.934 77 HA ILE 487 HA ILE 487 -0.516 -2.233 -7.013 78 HB ILE 487 HB ILE 487 -0.651 -2.838 -9.414 79 HG12 ILE 487 HG12 ILE 487 -1.411 -0.694 -10.833 80 HG13 ILE 487 HG11 ILE 487 -0.274 0.096 -9.746 81 HG21 ILE 487 HG21 ILE 487 -2.938 -1.973 -9.781 82 HG22 ILE 487 HG22 ILE 487 -2.705 -0.880 -8.416 83 HG23 ILE 487 HG23 ILE 487 -2.678 -2.624 -8.164 84 HD11 ILE 487 HD11 ILE 487 0.334 -2.230 -11.555 85 HD12 ILE 487 HD12 ILE 487 1.477 -1.445 -10.467 86 HD13 ILE 487 HD13 ILE 487 0.796 -0.550 -11.826 87 H ALA 488 HN ALA 488 1.100 -3.712 -7.458 88 HA ALA 488 HA ALA 488 3.755 -2.607 -7.887 89 HB1 ALA 488 HB1 ALA 488 3.265 -4.316 -6.108 90 HB2 ALA 488 HB2 ALA 488 4.585 -4.740 -7.195 91 HB3 ALA 488 HB3 ALA 488 3.001 -5.487 -7.396 92 HA PRO 489 HA PRO 489 4.073 -3.339 -12.175 93 HB2 PRO 489 HB2 PRO 489 6.694 -4.651 -11.706 94 HB3 PRO 489 HB1 PRO 489 6.294 -3.250 -12.707 95 HG2 PRO 489 HG2 PRO 489 7.548 -2.941 -10.383 96 HG3 PRO 489 HG1 PRO 489 6.298 -1.795 -10.904 97 HD2 PRO 489 HD2 PRO 489 6.122 -4.012 -8.900 98 HD3 PRO 489 HD1 PRO 489 5.423 -2.381 -8.842 99 H ASN 490 HN ASN 490 3.949 -6.008 -10.097 100 HA ASN 490 HA ASN 490 3.888 -7.866 -12.371 101 HB2 ASN 490 HB2 ASN 490 4.091 -9.684 -10.767 102 HB3 ASN 490 HB1 ASN 490 5.382 -8.516 -10.511 103 HD21 ASN 490 HD21 ASN 490 4.317 -10.483 -8.687 104 HD22 ASN 490 HD22 ASN 490 3.747 -9.608 -7.309 105 H GLY 491 HN GLY 491 1.860 -6.062 -10.404 106 HA2 GLY 491 HA2 GLY 491 -0.439 -5.925 -11.049 107 HA3 GLY 491 HA1 GLY 491 -0.412 -7.643 -11.399 108 H ARG 492 HN ARG 492 0.883 -6.306 -8.410 109 HA ARG 492 HA ARG 492 -1.524 -7.297 -7.033 110 HB2 ARG 492 HB2 ARG 492 0.010 -7.458 -4.993 111 HB3 ARG 492 HB1 ARG 492 0.196 -8.680 -6.228 112 HG2 ARG 492 HG2 ARG 492 2.111 -7.368 -7.135 113 HG3 ARG 492 HG1 ARG 492 1.965 -6.305 -5.735 114 HD2 ARG 492 HD2 ARG 492 2.435 -8.125 -4.235 115 HD3 ARG 492 HD1 ARG 492 2.394 -9.285 -5.563 116 HE ARG 492 HE ARG 492 4.340 -7.427 -6.212 117 HH11 ARG 492 HH11 ARG 492 3.781 -9.798 -3.686 118 HH12 ARG 492 HH12 ARG 492 5.476 -10.039 -3.382 119 HH21 ARG 492 HH21 ARG 492 6.562 -7.782 -5.835 120 HH22 ARG 492 HH22 ARG 492 7.053 -8.903 -4.589 121 HA PRO 493 HA PRO 493 -1.840 -3.015 -5.829 122 HB2 PRO 493 HB2 PRO 493 -4.392 -3.120 -5.001 123 HB3 PRO 493 HB1 PRO 493 -3.969 -3.210 -6.712 124 HG2 PRO 493 HG2 PRO 493 -4.874 -5.349 -4.877 125 HG3 PRO 493 HG1 PRO 493 -5.092 -5.201 -6.627 126 HD2 PRO 493 HD2 PRO 493 -3.161 -6.767 -5.262 127 HD3 PRO 493 HD1 PRO 493 -3.267 -6.477 -7.006 128 H PHE 494 HN PHE 494 -1.117 -2.128 -3.978 129 HA PHE 494 HA PHE 494 -1.987 -3.331 -1.457 130 HB2 PHE 494 HB2 PHE 494 0.305 -2.934 -0.520 131 HB3 PHE 494 HB1 PHE 494 0.207 -4.208 -1.719 132 HD1 PHE 494 HD2 PHE 494 0.867 -0.511 -1.675 133 HD2 PHE 494 HD1 PHE 494 1.949 -4.343 -3.174 134 HE1 PHE 494 HE2 PHE 494 2.735 0.514 -2.913 135 HE2 PHE 494 HE1 PHE 494 3.827 -3.329 -4.399 136 HZ PHE 494 HZ PHE 494 4.218 -0.904 -4.279 137 H PHE 495 HN PHE 495 -2.319 -1.984 0.221 138 HA PHE 495 HA PHE 495 -2.423 0.865 -0.284 139 HB2 PHE 495 HB2 PHE 495 -3.239 -0.717 2.171 140 HB3 PHE 495 HB1 PHE 495 -3.600 0.975 1.864 141 HD1 PHE 495 HD2 PHE 495 -5.044 1.546 -0.104 142 HD2 PHE 495 HD1 PHE 495 -4.672 -2.404 1.403 143 HE1 PHE 495 HE2 PHE 495 -7.118 0.923 -1.266 144 HE2 PHE 495 HE1 PHE 495 -6.752 -3.046 0.258 145 HZ PHE 495 HZ PHE 495 -7.980 -1.381 -1.079 146 H ILE 496 HN ILE 496 -0.794 2.149 0.239 147 HA ILE 496 HA ILE 496 1.189 1.225 2.213 148 HB ILE 496 HB ILE 496 1.591 3.611 0.434 149 HG12 ILE 496 HG12 ILE 496 3.033 1.817 -0.905 150 HG13 ILE 496 HG11 ILE 496 1.766 0.737 -0.326 151 HG21 ILE 496 HG21 ILE 496 3.488 1.693 1.773 152 HG22 ILE 496 HG22 ILE 496 3.106 3.334 2.297 153 HG23 ILE 496 HG23 ILE 496 3.958 3.068 0.775 154 HD11 ILE 496 HD11 ILE 496 1.346 3.242 -1.939 155 HD12 ILE 496 HD12 ILE 496 0.078 2.161 -1.359 156 HD13 ILE 496 HD13 ILE 496 1.255 1.586 -2.540 157 H ASP 497 HN ASP 497 0.766 2.039 4.233 158 HA ASP 497 HA ASP 497 -0.201 4.782 4.310 159 HB2 ASP 497 HB2 ASP 497 -1.017 4.418 6.299 160 HB3 ASP 497 HB1 ASP 497 -0.660 2.706 6.076 161 H HIS 498 HN HIS 498 0.959 6.382 4.472 162 HA HIS 498 HA HIS 498 3.801 5.965 4.198 163 HB2 HIS 498 HB2 HIS 498 2.038 8.357 3.757 164 HB3 HIS 498 HB1 HIS 498 3.798 8.447 3.645 165 HD1 HIS 498 HD1 HIS 498 4.940 7.229 1.668 166 HD2 HIS 498 HD2 HIS 498 0.772 6.955 1.651 167 HE1 HIS 498 HE1 HIS 498 4.331 6.188 -0.540 168 HE2 HIS 498 HE2 HIS 498 1.808 6.244 -0.609 169 H ASN 499 HN ASN 499 1.838 6.551 6.819 170 HA ASN 499 HA ASN 499 3.546 8.487 8.130 171 HB2 ASN 499 HB2 ASN 499 1.330 6.785 9.299 172 HB3 ASN 499 HB1 ASN 499 2.061 8.199 10.044 173 HD21 ASN 499 HD21 ASN 499 -0.121 7.033 7.615 174 HD22 ASN 499 HD22 ASN 499 -0.864 8.554 7.270 175 H THR 500 HN THR 500 2.619 5.098 8.679 176 HA THR 500 HA THR 500 4.886 4.638 10.385 177 HB THR 500 HB THR 500 3.630 2.215 9.406 178 HG1 THR 500 HG1 THR 500 1.710 3.188 9.192 179 HG21 THR 500 HG21 THR 500 4.933 2.416 11.472 180 HG22 THR 500 HG22 THR 500 3.284 1.885 11.808 181 HG23 THR 500 HG23 THR 500 3.750 3.562 12.103 182 H LYS 501 HN LYS 501 4.363 4.680 7.054 183 HA LYS 501 HA LYS 501 5.594 4.102 5.222 184 HB2 LYS 501 HB2 LYS 501 7.762 3.235 7.151 185 HB3 LYS 501 HB1 LYS 501 7.953 3.576 5.438 186 HG2 LYS 501 HG2 LYS 501 7.098 5.628 7.451 187 HG3 LYS 501 HG1 LYS 501 8.773 5.353 6.993 188 HD2 LYS 501 HD2 LYS 501 6.606 6.035 5.018 189 HD3 LYS 501 HD1 LYS 501 7.615 7.248 5.809 190 HE2 LYS 501 HE2 LYS 501 9.612 6.021 4.918 191 HE3 LYS 501 HE1 LYS 501 8.499 5.033 3.972 192 HZ1 LYS 501 HZ1 LYS 501 8.844 7.977 3.782 193 HZ2 LYS 501 HZ2 LYS 501 7.687 7.088 2.923 194 HZ3 LYS 501 HZ3 LYS 501 9.336 6.830 2.634 195 H THR 502 HN THR 502 3.703 2.346 6.132 196 HA THR 502 HA THR 502 4.969 -0.307 5.873 197 HB THR 502 HB THR 502 2.488 0.283 7.497 198 HG1 THR 502 HG1 THR 502 5.076 0.764 8.081 199 HG21 THR 502 HG21 THR 502 4.315 -2.127 7.416 200 HG22 THR 502 HG22 THR 502 2.702 -2.037 6.713 201 HG23 THR 502 HG23 THR 502 2.907 -1.932 8.460 202 H THR 503 HN THR 503 3.964 -1.811 4.582 203 HA THR 503 HA THR 503 1.728 -0.868 2.941 204 HB THR 503 HB THR 503 2.410 -2.979 1.582 205 HG1 THR 503 HG1 THR 503 4.572 -3.612 1.936 206 HG21 THR 503 HG21 THR 503 2.787 -0.692 0.797 207 HG22 THR 503 HG22 THR 503 4.161 -1.724 0.402 208 HG23 THR 503 HG23 THR 503 4.265 -0.599 1.756 209 H THR 504 HN THR 504 -0.120 -2.172 2.633 210 HA THR 504 HA THR 504 -0.341 -4.663 4.112 211 HB THR 504 HB THR 504 -1.082 -2.556 5.542 212 HG1 THR 504 HG1 THR 504 -2.709 -4.909 5.369 213 HG21 THR 504 HG21 THR 504 -3.567 -3.150 3.934 214 HG22 THR 504 HG22 THR 504 -2.639 -1.652 3.894 215 HG23 THR 504 HG23 THR 504 -3.487 -2.123 5.367 216 H TRP 505 HN TRP 505 -2.114 -5.972 3.384 217 HA TRP 505 HA TRP 505 -2.768 -5.399 0.609 218 HB2 TRP 505 HB2 TRP 505 -3.180 -7.865 2.300 219 HB3 TRP 505 HB1 TRP 505 -3.677 -7.736 0.620 220 HD1 TRP 505 HD1 TRP 505 -0.845 -8.820 2.703 221 HE1 TRP 505 HE1 TRP 505 1.215 -9.299 1.235 222 HE3 TRP 505 HE3 TRP 505 -2.391 -6.578 -1.619 223 HZ2 TRP 505 HZ2 TRP 505 2.071 -8.781 -1.404 224 HZ3 TRP 505 HZ3 TRP 505 -0.899 -6.626 -3.572 225 HH2 TRP 505 HH2 TRP 505 1.284 -7.703 -3.467 226 H GLU 506 HN GLU 506 -4.408 -5.763 3.689 227 HA GLU 506 HA GLU 506 -7.012 -5.938 2.439 228 HB2 GLU 506 HB2 GLU 506 -7.847 -6.035 4.800 229 HB3 GLU 506 HB1 GLU 506 -6.728 -7.315 4.363 230 HG2 GLU 506 HG2 GLU 506 -5.734 -4.847 5.720 231 HG3 GLU 506 HG1 GLU 506 -6.505 -6.129 6.650 232 H ASP 507 HN ASP 507 -8.609 -4.566 2.443 233 HA ASP 507 HA ASP 507 -7.859 -1.851 2.446 234 HB2 ASP 507 HB2 ASP 507 -10.269 -1.444 1.857 235 HB3 ASP 507 HB1 ASP 507 -9.432 -2.559 0.790 236 HA PRO 508 HA PRO 508 -8.749 -1.242 6.726 237 HB2 PRO 508 HB2 PRO 508 -7.854 1.261 6.952 238 HB3 PRO 508 HB1 PRO 508 -6.752 -0.078 6.600 239 HG2 PRO 508 HG2 PRO 508 -7.932 1.942 4.732 240 HG3 PRO 508 HG1 PRO 508 -6.273 1.324 4.804 241 HD2 PRO 508 HD2 PRO 508 -8.196 0.422 3.047 242 HD3 PRO 508 HD1 PRO 508 -6.786 -0.524 3.560 243 H ARG 509 HN ARG 509 -10.391 0.391 4.209 244 HA ARG 509 HA ARG 509 -12.678 0.926 5.764 245 HB2 ARG 509 HB2 ARG 509 -11.253 2.752 6.650 246 HB3 ARG 509 HB1 ARG 509 -11.063 3.375 5.017 247 HG2 ARG 509 HG2 ARG 509 -13.431 3.852 4.885 248 HG3 ARG 509 HG1 ARG 509 -13.686 3.144 6.481 249 HD2 ARG 509 HD2 ARG 509 -12.293 4.854 7.492 250 HD3 ARG 509 HD1 ARG 509 -11.936 5.533 5.905 251 HE ARG 509 HE ARG 509 -14.527 5.826 5.860 252 HH11 ARG 509 HH11 ARG 509 -12.457 6.183 8.669 253 HH12 ARG 509 HH12 ARG 509 -13.428 7.439 9.378 254 HH21 ARG 509 HH21 ARG 509 -15.805 7.470 6.792 255 HH22 ARG 509 HH22 ARG 509 -15.323 8.181 8.303 256 H1 ARG 925 HT1 ARG 925 -1.731 -17.894 2.305 257 H2 ARG 925 HT2 ARG 925 -1.336 -18.320 3.900 258 H3 ARG 925 HT3 ARG 925 -0.141 -18.333 2.699 259 HA ARG 925 HA ARG 925 -1.575 -15.933 3.677 260 HB2 ARG 925 HB2 ARG 925 -0.001 -16.872 5.324 261 HB3 ARG 925 HB1 ARG 925 1.273 -16.854 4.115 262 HG2 ARG 925 HG2 ARG 925 1.042 -14.384 3.990 263 HG3 ARG 925 HG1 ARG 925 -0.111 -14.471 5.327 264 HD2 ARG 925 HD2 ARG 925 2.147 -13.929 6.112 265 HD3 ARG 925 HD1 ARG 925 1.589 -15.479 6.745 266 HE ARG 925 HE ARG 925 3.257 -15.468 4.329 267 HH11 ARG 925 HH11 ARG 925 2.908 -16.166 7.745 268 HH12 ARG 925 HH12 ARG 925 4.313 -17.185 7.814 269 HH21 ARG 925 HH21 ARG 925 5.116 -16.787 4.418 270 HH22 ARG 925 HH22 ARG 925 5.590 -17.517 5.925 271 H LEU 926 HN LEU 926 -1.514 -14.269 2.309 272 HA LEU 926 HA LEU 926 -0.092 -14.437 -0.183 273 HB2 LEU 926 HB2 LEU 926 -2.311 -13.322 0.096 274 HB3 LEU 926 HB1 LEU 926 -1.526 -12.082 1.054 275 HG LEU 926 HG LEU 926 -0.194 -11.408 -0.899 276 HD11 LEU 926 HD11 LEU 926 -0.710 -12.312 -3.106 277 HD12 LEU 926 HD12 LEU 926 -1.816 -13.477 -2.377 278 HD13 LEU 926 HD13 LEU 926 -0.088 -13.567 -2.033 279 HD21 LEU 926 HD21 LEU 926 -2.315 -10.307 -0.468 280 HD22 LEU 926 HD22 LEU 926 -3.161 -11.534 -1.409 281 HD23 LEU 926 HD23 LEU 926 -2.027 -10.442 -2.202 282 H ASP 927 HN ASP 927 1.920 -13.712 -0.598 283 HA ASP 927 HA ASP 927 3.549 -12.956 1.611 284 HB2 ASP 927 HB2 ASP 927 4.222 -12.976 -1.341 285 HB3 ASP 927 HB1 ASP 927 5.384 -12.862 -0.024 286 H LEU 928 HN LEU 928 3.757 -11.016 2.430 287 HA LEU 928 HA LEU 928 3.192 -8.659 0.796 288 HB2 LEU 928 HB2 LEU 928 2.108 -8.789 2.979 289 HB3 LEU 928 HB1 LEU 928 3.661 -8.990 3.764 290 HG LEU 928 HG LEU 928 4.281 -6.694 3.007 291 HD11 LEU 928 HD11 LEU 928 2.506 -5.195 2.246 292 HD12 LEU 928 HD12 LEU 928 1.386 -6.555 2.183 293 HD13 LEU 928 HD13 LEU 928 2.778 -6.509 1.101 294 HD21 LEU 928 HD21 LEU 928 1.798 -6.944 4.699 295 HD22 LEU 928 HD22 LEU 928 2.861 -5.538 4.646 296 HD23 LEU 928 HD23 LEU 928 3.465 -7.078 5.259 297 HA PRO 929 HA PRO 929 7.643 -8.223 0.400 298 HB2 PRO 929 HB2 PRO 929 7.612 -6.075 -1.234 299 HB3 PRO 929 HB1 PRO 929 7.239 -7.703 -1.814 300 HG2 PRO 929 HG2 PRO 929 5.373 -5.482 -1.076 301 HG3 PRO 929 HG1 PRO 929 5.304 -6.589 -2.461 302 HD2 PRO 929 HD2 PRO 929 3.804 -6.922 -0.212 303 HD3 PRO 929 HD1 PRO 929 4.347 -8.272 -1.227 304 HA PRO 930 HA PRO 930 8.296 -5.255 3.747 305 HB2 PRO 930 HB2 PRO 930 11.027 -5.415 2.554 306 HB3 PRO 930 HB1 PRO 930 10.532 -5.548 4.245 307 HG2 PRO 930 HG2 PRO 930 11.223 -7.712 2.862 308 HG3 PRO 930 HG1 PRO 930 9.879 -7.761 4.018 309 HD2 PRO 930 HD2 PRO 930 9.817 -7.682 1.037 310 HD3 PRO 930 HD1 PRO 930 8.725 -8.504 2.169 311 H TYR 931 HN TYR 931 8.331 -3.043 3.736 312 HA TYR 931 HA TYR 931 7.516 -1.825 1.387 313 HB2 TYR 931 HB2 TYR 931 6.909 -0.934 3.533 314 HB3 TYR 931 HB1 TYR 931 8.590 -0.634 3.946 315 HD1 TYR 931 HD1 TYR 931 6.103 0.372 1.303 316 HD2 TYR 931 HD2 TYR 931 9.341 1.525 3.816 317 HE1 TYR 931 HE1 TYR 931 5.899 2.687 0.506 318 HE2 TYR 931 HE2 TYR 931 9.146 3.832 3.014 319 HH TYR 931 HH TYR 931 8.286 5.049 1.088 320 H GLU 932 HN GLU 932 8.549 -1.414 -0.342 321 HA GLU 932 HA GLU 932 11.260 -0.267 -0.288 322 HB2 GLU 932 HB2 GLU 932 9.674 -1.465 -2.583 323 HB3 GLU 932 HB1 GLU 932 11.290 -0.791 -2.713 324 HG2 GLU 932 HG2 GLU 932 10.601 -3.146 -0.979 325 HG3 GLU 932 HG1 GLU 932 11.177 -3.280 -2.639 326 H THR 933 HN THR 933 11.516 1.745 -1.628 327 HA THR 933 HA THR 933 9.016 3.199 -1.605 328 HB THR 933 HB THR 933 11.645 4.289 -2.604 329 HG1 THR 933 HG1 THR 933 12.247 4.435 -0.574 330 HG21 THR 933 HG21 THR 933 9.073 5.552 -1.611 331 HG22 THR 933 HG22 THR 933 9.693 5.575 -3.263 332 HG23 THR 933 HG23 THR 933 10.550 6.445 -1.989 333 H PHE 934 HN PHE 934 7.715 3.140 -3.121 334 HA PHE 934 HA PHE 934 8.431 2.590 -5.889 335 HB2 PHE 934 HB2 PHE 934 6.076 2.233 -6.243 336 HB3 PHE 934 HB1 PHE 934 6.472 1.436 -4.720 337 HD1 PHE 934 HD2 PHE 934 5.990 2.666 -2.561 338 HD2 PHE 934 HD1 PHE 934 4.484 3.887 -6.337 339 HE1 PHE 934 HE2 PHE 934 4.322 4.084 -1.439 340 HE2 PHE 934 HE1 PHE 934 2.829 5.311 -5.230 341 HZ PHE 934 HZ PHE 934 2.771 5.412 -2.799 342 H GLU 935 HN GLU 935 6.758 4.086 -7.339 343 HA GLU 935 HA GLU 935 7.978 6.531 -7.567 344 HB2 GLU 935 HB2 GLU 935 5.850 7.235 -8.776 345 HB3 GLU 935 HB1 GLU 935 6.627 5.770 -9.359 346 HG2 GLU 935 HG2 GLU 935 4.417 5.592 -7.336 347 HG3 GLU 935 HG1 GLU 935 4.047 5.838 -9.051 348 H ASP 936 HN ASP 936 7.981 8.340 -6.465 349 HA ASP 936 HA ASP 936 6.920 8.428 -3.885 350 HB2 ASP 936 HB2 ASP 936 8.971 9.583 -4.557 351 HB3 ASP 936 HB1 ASP 936 8.030 10.686 -5.554 352 H LEU 937 HN LEU 937 5.272 9.423 -2.937 353 HA LEU 937 HA LEU 937 2.896 9.894 -4.367 354 HB2 LEU 937 HB2 LEU 937 3.434 9.318 -1.823 355 HB3 LEU 937 HB1 LEU 937 3.305 11.054 -1.646 356 HG LEU 937 HG LEU 937 1.138 9.210 -2.663 357 HD11 LEU 937 HD11 LEU 937 1.412 10.725 -0.075 358 HD12 LEU 937 HD12 LEU 937 1.524 8.978 -0.283 359 HD13 LEU 937 HD13 LEU 937 -0.004 9.805 -0.583 360 HD21 LEU 937 HD21 LEU 937 -0.319 11.176 -2.578 361 HD22 LEU 937 HD22 LEU 937 0.992 11.401 -3.737 362 HD23 LEU 937 HD23 LEU 937 1.063 12.187 -2.160 363 HN1 NH2 938 H1 LEU 937 4.514 12.253 -2.282 364 HN2 NH2 938 H2 LEU 937 4.242 13.622 -3.298 Start of MODEL 6 1 H PHE 478 HT1 PHE 478 -10.391 10.148 -2.036 2 HA PHE 478 HA PHE 478 -12.780 9.372 -0.467 3 HB2 PHE 478 HB2 PHE 478 -11.568 8.227 -2.991 4 HB3 PHE 478 HB1 PHE 478 -12.825 7.428 -2.055 5 HD1 PHE 478 HD1 PHE 478 -14.949 8.964 -1.588 6 HD2 PHE 478 HD2 PHE 478 -12.192 9.502 -4.788 7 HE1 PHE 478 HE1 PHE 478 -16.652 10.217 -2.845 8 HE2 PHE 478 HE2 PHE 478 -13.893 10.755 -6.046 9 HZ PHE 478 HZ PHE 478 -16.129 11.116 -5.075 10 H LEU 479 HN LEU 479 -9.410 8.922 -1.215 11 HA LEU 479 HA LEU 479 -9.241 6.727 0.745 12 HB2 LEU 479 HB2 LEU 479 -8.514 6.330 -1.644 13 HB3 LEU 479 HB1 LEU 479 -7.247 7.510 -1.385 14 HG LEU 479 HG LEU 479 -6.323 6.050 0.412 15 HD11 LEU 479 HD11 LEU 479 -7.062 3.724 0.520 16 HD12 LEU 479 HD12 LEU 479 -8.369 4.083 -0.608 17 HD13 LEU 479 HD13 LEU 479 -8.352 4.831 0.989 18 HD21 LEU 479 HD21 LEU 479 -6.608 4.798 -2.316 19 HD22 LEU 479 HD22 LEU 479 -5.362 4.414 -1.125 20 HD23 LEU 479 HD23 LEU 479 -5.424 6.022 -1.851 21 HA PRO 480 HA PRO 480 -7.291 9.556 3.630 22 HB2 PRO 480 HB2 PRO 480 -5.712 7.097 4.254 23 HB3 PRO 480 HB1 PRO 480 -6.538 8.210 5.350 24 HG2 PRO 480 HG2 PRO 480 -7.599 5.842 4.780 25 HG3 PRO 480 HG1 PRO 480 -8.621 7.282 4.940 26 HD2 PRO 480 HD2 PRO 480 -7.775 5.821 2.489 27 HD3 PRO 480 HD1 PRO 480 -9.283 6.687 2.828 28 HA PRO 481 HA PRO 481 -3.994 10.957 1.138 29 HB2 PRO 481 HB2 PRO 481 -2.919 12.208 3.602 30 HB3 PRO 481 HB1 PRO 481 -3.364 12.949 2.062 31 HG2 PRO 481 HG2 PRO 481 -4.916 13.230 4.212 32 HG3 PRO 481 HG1 PRO 481 -5.620 13.021 2.598 33 HD2 PRO 481 HD2 PRO 481 -5.343 11.039 4.822 34 HD3 PRO 481 HD1 PRO 481 -6.682 11.274 3.680 35 H GLY 482 HN GLY 482 -3.234 9.192 4.064 36 HA2 GLY 482 HA2 GLY 482 -0.472 8.858 3.127 37 HA3 GLY 482 HA1 GLY 482 -1.042 8.441 4.720 38 H TRP 483 HN TRP 483 -3.440 7.243 3.053 39 HA TRP 483 HA TRP 483 -2.183 4.622 2.809 40 HB2 TRP 483 HB2 TRP 483 -5.062 5.515 2.753 41 HB3 TRP 483 HB1 TRP 483 -4.578 3.892 2.278 42 HD1 TRP 483 HD1 TRP 483 -4.453 6.212 5.356 43 HE1 TRP 483 HE1 TRP 483 -4.488 4.738 7.473 44 HE3 TRP 483 HE3 TRP 483 -4.187 1.578 3.149 45 HZ2 TRP 483 HZ2 TRP 483 -4.430 2.003 8.110 46 HZ3 TRP 483 HZ3 TRP 483 -4.194 -0.398 4.600 47 HH2 TRP 483 HH2 TRP 483 -4.301 -0.197 7.026 48 H GLU 484 HN GLU 484 -1.234 4.230 0.988 49 HA GLU 484 HA GLU 484 -2.347 5.416 -1.450 50 HB2 GLU 484 HB2 GLU 484 0.346 5.070 -0.398 51 HB3 GLU 484 HB1 GLU 484 0.179 4.547 -2.053 52 HG2 GLU 484 HG2 GLU 484 -1.037 6.850 -2.330 53 HG3 GLU 484 HG1 GLU 484 -0.088 7.253 -0.901 54 H MET 485 HN MET 485 -3.106 4.156 -2.980 55 HA MET 485 HA MET 485 -2.885 1.252 -2.691 56 HB2 MET 485 HB2 MET 485 -4.705 2.947 -4.407 57 HB3 MET 485 HB1 MET 485 -4.629 1.201 -4.525 58 HG2 MET 485 HG2 MET 485 -5.258 1.090 -2.147 59 HG3 MET 485 HG1 MET 485 -5.469 2.836 -2.154 60 HE1 MET 485 HE1 MET 485 -7.408 4.105 -3.425 61 HE2 MET 485 HE2 MET 485 -8.502 3.325 -4.567 62 HE3 MET 485 HE3 MET 485 -6.782 3.455 -4.942 63 H ARG 486 HN ARG 486 -1.160 0.403 -3.635 64 HA ARG 486 HA ARG 486 -0.198 1.663 -6.119 65 HB2 ARG 486 HB2 ARG 486 1.396 0.110 -4.080 66 HB3 ARG 486 HB1 ARG 486 2.036 0.922 -5.503 67 HG2 ARG 486 HG2 ARG 486 0.850 2.170 -3.040 68 HG3 ARG 486 HG1 ARG 486 2.496 2.320 -3.659 69 HD2 ARG 486 HD2 ARG 486 -0.035 3.498 -4.771 70 HD3 ARG 486 HD1 ARG 486 1.416 4.339 -4.222 71 HE ARG 486 HE ARG 486 1.676 2.541 -6.499 72 HH11 ARG 486 HH11 ARG 486 1.484 5.844 -5.310 73 HH12 ARG 486 HH12 ARG 486 2.085 6.519 -6.793 74 HH21 ARG 486 HH21 ARG 486 2.424 3.414 -8.415 75 HH22 ARG 486 HH22 ARG 486 2.636 5.123 -8.566 76 H ILE 487 HN ILE 487 0.284 0.439 -7.885 77 HA ILE 487 HA ILE 487 -0.862 -2.263 -7.796 78 HB ILE 487 HB ILE 487 -0.297 -0.414 -10.114 79 HG12 ILE 487 HG12 ILE 487 -2.294 0.089 -8.704 80 HG13 ILE 487 HG11 ILE 487 -2.700 -0.323 -10.367 81 HG21 ILE 487 HG21 ILE 487 0.131 -2.718 -10.800 82 HG22 ILE 487 HG22 ILE 487 -1.335 -2.095 -11.557 83 HG23 ILE 487 HG23 ILE 487 -1.452 -3.201 -10.188 84 HD11 ILE 487 HD11 ILE 487 -4.252 -1.368 -8.841 85 HD12 ILE 487 HD12 ILE 487 -2.922 -2.139 -7.976 86 HD13 ILE 487 HD13 ILE 487 -3.273 -2.599 -9.643 87 H ALA 488 HN ALA 488 0.478 -3.945 -7.676 88 HA ALA 488 HA ALA 488 3.158 -3.767 -8.823 89 HB1 ALA 488 HB1 ALA 488 1.808 -6.025 -7.331 90 HB2 ALA 488 HB2 ALA 488 2.925 -4.850 -6.638 91 HB3 ALA 488 HB3 ALA 488 3.493 -6.000 -7.847 92 HA PRO 489 HA PRO 489 2.124 -5.351 -12.760 93 HB2 PRO 489 HB2 PRO 489 4.142 -7.209 -13.173 94 HB3 PRO 489 HB1 PRO 489 4.271 -5.471 -13.455 95 HG2 PRO 489 HG2 PRO 489 5.160 -7.083 -11.106 96 HG3 PRO 489 HG1 PRO 489 5.955 -5.706 -11.890 97 HD2 PRO 489 HD2 PRO 489 4.641 -5.420 -9.573 98 HD3 PRO 489 HD1 PRO 489 4.603 -4.155 -10.819 99 H ASN 490 HN ASN 490 2.293 -7.564 -10.133 100 HA ASN 490 HA ASN 490 1.250 -9.849 -11.511 101 HB2 ASN 490 HB2 ASN 490 2.485 -10.061 -9.404 102 HB3 ASN 490 HB1 ASN 490 1.256 -9.127 -8.569 103 HD21 ASN 490 HD21 ASN 490 0.643 -11.669 -10.959 104 HD22 ASN 490 HD22 ASN 490 -0.111 -12.754 -9.844 105 H GLY 491 HN GLY 491 -0.072 -6.895 -10.768 106 HA2 GLY 491 HA2 GLY 491 -2.262 -6.177 -11.119 107 HA3 GLY 491 HA1 GLY 491 -2.787 -7.855 -11.174 108 H ARG 492 HN ARG 492 -0.745 -7.019 -8.610 109 HA ARG 492 HA ARG 492 -2.995 -7.165 -6.749 110 HB2 ARG 492 HB2 ARG 492 -1.182 -7.599 -5.046 111 HB3 ARG 492 HB1 ARG 492 -1.436 -8.861 -6.228 112 HG2 ARG 492 HG2 ARG 492 0.493 -7.912 -7.520 113 HG3 ARG 492 HG1 ARG 492 0.799 -6.853 -6.142 114 HD2 ARG 492 HD2 ARG 492 1.051 -8.833 -4.705 115 HD3 ARG 492 HD1 ARG 492 0.791 -9.870 -6.106 116 HE ARG 492 HE ARG 492 2.988 -7.969 -6.282 117 HH11 ARG 492 HH11 ARG 492 1.963 -11.267 -5.708 118 HH12 ARG 492 HH12 ARG 492 3.560 -11.932 -5.901 119 HH21 ARG 492 HH21 ARG 492 5.092 -8.833 -6.533 120 HH22 ARG 492 HH22 ARG 492 5.332 -10.551 -6.378 121 HA PRO 493 HA PRO 493 -1.936 -2.888 -5.827 122 HB2 PRO 493 HB2 PRO 493 -4.508 -2.406 -4.804 123 HB3 PRO 493 HB1 PRO 493 -3.938 -2.026 -6.428 124 HG2 PRO 493 HG2 PRO 493 -5.895 -3.923 -5.745 125 HG3 PRO 493 HG1 PRO 493 -5.118 -3.733 -7.321 126 HD2 PRO 493 HD2 PRO 493 -4.549 -5.689 -5.151 127 HD3 PRO 493 HD1 PRO 493 -4.385 -5.860 -6.912 128 H PHE 494 HN PHE 494 -0.766 -2.620 -4.048 129 HA PHE 494 HA PHE 494 -1.786 -3.731 -1.533 130 HB2 PHE 494 HB2 PHE 494 0.574 -3.538 -0.722 131 HB3 PHE 494 HB1 PHE 494 0.332 -4.679 -2.031 132 HD1 PHE 494 HD2 PHE 494 1.525 -1.215 -1.355 133 HD2 PHE 494 HD1 PHE 494 1.684 -4.604 -3.908 134 HE1 PHE 494 HE2 PHE 494 3.413 -0.155 -2.594 135 HE2 PHE 494 HE1 PHE 494 3.567 -3.605 -5.130 136 HZ PHE 494 HZ PHE 494 4.424 -1.385 -4.487 137 H PHE 495 HN PHE 495 -1.986 -2.494 0.292 138 HA PHE 495 HA PHE 495 -2.127 0.371 -0.212 139 HB2 PHE 495 HB2 PHE 495 -3.040 -1.102 2.273 140 HB3 PHE 495 HB1 PHE 495 -3.435 0.542 1.798 141 HD1 PHE 495 HD2 PHE 495 -4.729 0.885 -0.330 142 HD2 PHE 495 HD1 PHE 495 -4.421 -2.878 1.619 143 HE1 PHE 495 HE2 PHE 495 -6.714 0.104 -1.559 144 HE2 PHE 495 HE1 PHE 495 -6.410 -3.676 0.406 145 HZ PHE 495 HZ PHE 495 -7.562 -2.184 -1.183 146 H ILE 496 HN ILE 496 -0.544 1.616 0.287 147 HA ILE 496 HA ILE 496 1.343 0.817 2.392 148 HB ILE 496 HB ILE 496 1.648 2.957 0.282 149 HG12 ILE 496 HG12 ILE 496 1.550 0.720 -0.681 150 HG13 ILE 496 HG11 ILE 496 3.163 1.381 -0.820 151 HG21 ILE 496 HG21 ILE 496 4.013 2.950 0.940 152 HG22 ILE 496 HG22 ILE 496 3.650 1.781 2.210 153 HG23 ILE 496 HG23 ILE 496 2.964 3.404 2.283 154 HD11 ILE 496 HD11 ILE 496 2.254 -0.619 1.222 155 HD12 ILE 496 HD12 ILE 496 3.874 0.072 1.104 156 HD13 ILE 496 HD13 ILE 496 3.252 -0.946 -0.199 157 H ASP 497 HN ASP 497 0.770 1.664 4.338 158 HA ASP 497 HA ASP 497 -0.310 4.359 4.281 159 HB2 ASP 497 HB2 ASP 497 -1.241 3.996 6.219 160 HB3 ASP 497 HB1 ASP 497 -0.786 2.298 6.065 161 H HIS 498 HN HIS 498 0.763 5.983 4.442 162 HA HIS 498 HA HIS 498 3.628 5.721 4.453 163 HB2 HIS 498 HB2 HIS 498 1.740 7.923 3.720 164 HB3 HIS 498 HB1 HIS 498 3.465 8.241 3.900 165 HD1 HIS 498 HD1 HIS 498 5.075 7.063 2.226 166 HD2 HIS 498 HD2 HIS 498 1.021 6.492 1.374 167 HE1 HIS 498 HE1 HIS 498 4.989 6.128 -0.095 168 HE2 HIS 498 HE2 HIS 498 2.543 6.198 -0.702 169 H ASN 499 HN ASN 499 1.385 6.274 6.873 170 HA ASN 499 HA ASN 499 2.904 8.290 8.296 171 HB2 ASN 499 HB2 ASN 499 0.630 6.551 9.280 172 HB3 ASN 499 HB1 ASN 499 1.267 7.978 10.084 173 HD21 ASN 499 HD21 ASN 499 -0.782 6.746 7.628 174 HD22 ASN 499 HD22 ASN 499 -1.475 8.258 7.138 175 H THR 500 HN THR 500 2.032 4.895 8.779 176 HA THR 500 HA THR 500 4.028 4.562 10.823 177 HB THR 500 HB THR 500 2.907 2.105 9.695 178 HG1 THR 500 HG1 THR 500 1.038 3.209 9.342 179 HG21 THR 500 HG21 THR 500 4.057 2.244 11.848 180 HG22 THR 500 HG22 THR 500 2.376 1.752 12.065 181 HG23 THR 500 HG23 THR 500 2.862 3.414 12.408 182 H LYS 501 HN LYS 501 3.941 4.345 7.426 183 HA LYS 501 HA LYS 501 5.530 3.873 5.857 184 HB2 LYS 501 HB2 LYS 501 7.111 4.819 7.621 185 HB3 LYS 501 HB1 LYS 501 7.409 3.163 8.121 186 HG2 LYS 501 HG2 LYS 501 8.128 2.718 5.730 187 HG3 LYS 501 HG1 LYS 501 8.109 4.470 5.510 188 HD2 LYS 501 HD2 LYS 501 9.678 4.684 7.412 189 HD3 LYS 501 HD1 LYS 501 9.751 2.925 7.516 190 HE2 LYS 501 HE2 LYS 501 11.658 3.636 6.290 191 HE3 LYS 501 HE1 LYS 501 10.539 2.913 5.136 192 HZ1 LYS 501 HZ1 LYS 501 11.491 4.969 4.295 193 HZ2 LYS 501 HZ2 LYS 501 10.876 5.826 5.622 194 HZ3 LYS 501 HZ3 LYS 501 9.819 5.125 4.499 195 H THR 502 HN THR 502 3.650 1.935 6.932 196 HA THR 502 HA THR 502 5.218 -0.548 6.784 197 HB THR 502 HB THR 502 3.240 -1.630 7.934 198 HG1 THR 502 HG1 THR 502 2.207 0.830 7.661 199 HG21 THR 502 HG21 THR 502 5.327 -1.154 9.093 200 HG22 THR 502 HG22 THR 502 3.948 -0.884 10.159 201 HG23 THR 502 HG23 THR 502 4.780 0.490 9.430 202 H THR 503 HN THR 503 4.441 -2.320 5.670 203 HA THR 503 HA THR 503 2.874 -1.661 3.306 204 HB THR 503 HB THR 503 3.699 -3.965 2.582 205 HG1 THR 503 HG1 THR 503 4.257 -4.897 4.525 206 HG21 THR 503 HG21 THR 503 5.574 -1.699 3.193 207 HG22 THR 503 HG22 THR 503 4.861 -2.156 1.645 208 HG23 THR 503 HG23 THR 503 6.122 -3.152 2.363 209 H THR 504 HN THR 504 0.724 -2.184 3.241 210 HA THR 504 HA THR 504 -0.150 -4.491 4.855 211 HB THR 504 HB THR 504 -2.293 -3.329 5.280 212 HG1 THR 504 HG1 THR 504 -1.156 -1.483 3.585 213 HG21 THR 504 HG21 THR 504 -0.563 -3.234 6.985 214 HG22 THR 504 HG22 THR 504 -1.455 -1.712 6.932 215 HG23 THR 504 HG23 THR 504 0.149 -1.821 6.209 216 H TRP 505 HN TRP 505 -1.565 -5.913 3.929 217 HA TRP 505 HA TRP 505 -2.577 -5.347 1.235 218 HB2 TRP 505 HB2 TRP 505 -2.661 -7.815 2.979 219 HB3 TRP 505 HB1 TRP 505 -3.548 -7.692 1.472 220 HD1 TRP 505 HD1 TRP 505 -0.298 -8.777 2.842 221 HE1 TRP 505 HE1 TRP 505 1.304 -9.405 0.927 222 HE3 TRP 505 HE3 TRP 505 -2.842 -6.692 -1.077 223 HZ2 TRP 505 HZ2 TRP 505 1.478 -9.053 -1.856 224 HZ3 TRP 505 HZ3 TRP 505 -1.886 -6.889 -3.337 225 HH2 TRP 505 HH2 TRP 505 0.235 -8.049 -3.716 226 H GLU 506 HN GLU 506 -3.409 -4.808 4.368 227 HA GLU 506 HA GLU 506 -6.169 -5.625 4.302 228 HB2 GLU 506 HB2 GLU 506 -4.937 -3.882 6.414 229 HB3 GLU 506 HB1 GLU 506 -6.258 -5.029 6.576 230 HG2 GLU 506 HG2 GLU 506 -3.354 -5.700 6.172 231 HG3 GLU 506 HG1 GLU 506 -4.264 -5.845 7.673 232 H ASP 507 HN ASP 507 -7.861 -4.531 3.824 233 HA ASP 507 HA ASP 507 -7.410 -1.871 2.911 234 HB2 ASP 507 HB2 ASP 507 -9.659 -1.938 1.971 235 HB3 ASP 507 HB1 ASP 507 -8.790 -3.405 1.543 236 HA PRO 508 HA PRO 508 -8.603 -0.198 6.792 237 HB2 PRO 508 HB2 PRO 508 -8.533 2.407 6.164 238 HB3 PRO 508 HB1 PRO 508 -7.070 1.425 6.228 239 HG2 PRO 508 HG2 PRO 508 -8.663 2.296 3.855 240 HG3 PRO 508 HG1 PRO 508 -6.906 2.248 4.064 241 HD2 PRO 508 HD2 PRO 508 -8.342 0.321 2.746 242 HD3 PRO 508 HD1 PRO 508 -6.784 0.026 3.539 243 H ARG 509 HN ARG 509 -10.753 -0.900 4.712 244 HA ARG 509 HA ARG 509 -12.993 -0.778 4.520 245 HB2 ARG 509 HB2 ARG 509 -12.674 0.538 7.204 246 HB3 ARG 509 HB1 ARG 509 -14.255 0.390 6.450 247 HG2 ARG 509 HG2 ARG 509 -14.038 -1.436 7.929 248 HG3 ARG 509 HG1 ARG 509 -13.837 -2.088 6.305 249 HD2 ARG 509 HD2 ARG 509 -12.193 -3.098 7.708 250 HD3 ARG 509 HD1 ARG 509 -11.364 -1.958 6.649 251 HE ARG 509 HE ARG 509 -12.113 -0.897 9.233 252 HH11 ARG 509 HH11 ARG 509 -9.626 -2.470 7.338 253 HH12 ARG 509 HH12 ARG 509 -8.344 -2.056 8.441 254 HH21 ARG 509 HH21 ARG 509 -10.448 -0.328 10.665 255 HH22 ARG 509 HH22 ARG 509 -8.809 -0.799 10.322 256 H1 ARG 925 HT1 ARG 925 -2.435 -16.789 1.064 257 H2 ARG 925 HT2 ARG 925 -1.297 -16.632 2.308 258 H3 ARG 925 HT3 ARG 925 -0.826 -17.266 0.808 259 HA ARG 925 HA ARG 925 -1.378 -15.125 -0.235 260 HB2 ARG 925 HB2 ARG 925 -2.959 -14.357 1.497 261 HB3 ARG 925 HB1 ARG 925 -1.635 -14.244 2.650 262 HG2 ARG 925 HG2 ARG 925 -0.568 -12.608 1.011 263 HG3 ARG 925 HG1 ARG 925 -2.149 -12.551 0.230 264 HD2 ARG 925 HD2 ARG 925 -1.652 -11.965 3.142 265 HD3 ARG 925 HD1 ARG 925 -1.769 -10.739 1.883 266 HE ARG 925 HE ARG 925 -4.079 -12.365 1.840 267 HH11 ARG 925 HH11 ARG 925 -2.488 -9.986 3.837 268 HH12 ARG 925 HH12 ARG 925 -3.967 -9.279 4.435 269 HH21 ARG 925 HH21 ARG 925 -6.052 -11.471 2.628 270 HH22 ARG 925 HH22 ARG 925 -5.996 -10.149 3.753 271 H LEU 926 HN LEU 926 0.475 -14.309 -0.936 272 HA LEU 926 HA LEU 926 2.942 -14.734 0.472 273 HB2 LEU 926 HB2 LEU 926 2.617 -14.779 -2.035 274 HB3 LEU 926 HB1 LEU 926 2.417 -13.043 -1.979 275 HG LEU 926 HG LEU 926 4.689 -13.980 -2.695 276 HD11 LEU 926 HD11 LEU 926 4.341 -11.633 -2.214 277 HD12 LEU 926 HD12 LEU 926 5.902 -12.163 -1.589 278 HD13 LEU 926 HD13 LEU 926 4.542 -11.935 -0.488 279 HD21 LEU 926 HD21 LEU 926 6.250 -14.472 -0.878 280 HD22 LEU 926 HD22 LEU 926 4.934 -15.645 -0.943 281 HD23 LEU 926 HD23 LEU 926 4.927 -14.378 0.284 282 H ASP 927 HN ASP 927 3.784 -13.438 1.977 283 HA ASP 927 HA ASP 927 2.483 -11.107 2.887 284 HB2 ASP 927 HB2 ASP 927 3.945 -12.604 4.281 285 HB3 ASP 927 HB1 ASP 927 5.344 -11.929 3.453 286 H LEU 928 HN LEU 928 2.730 -9.024 2.395 287 HA LEU 928 HA LEU 928 3.628 -8.226 -0.081 288 HB2 LEU 928 HB2 LEU 928 2.052 -7.048 1.516 289 HB3 LEU 928 HB1 LEU 928 3.472 -6.439 2.345 290 HG LEU 928 HG LEU 928 4.147 -5.205 0.356 291 HD11 LEU 928 HD11 LEU 928 2.703 -5.104 -1.609 292 HD12 LEU 928 HD12 LEU 928 1.654 -6.334 -0.907 293 HD13 LEU 928 HD13 LEU 928 3.314 -6.735 -1.344 294 HD21 LEU 928 HD21 LEU 928 2.628 -4.132 1.938 295 HD22 LEU 928 HD22 LEU 928 1.244 -4.763 1.044 296 HD23 LEU 928 HD23 LEU 928 2.323 -3.588 0.291 297 HA PRO 929 HA PRO 929 8.016 -8.421 0.163 298 HB2 PRO 929 HB2 PRO 929 8.580 -6.467 -1.727 299 HB3 PRO 929 HB1 PRO 929 8.223 -8.157 -2.088 300 HG2 PRO 929 HG2 PRO 929 6.424 -5.776 -2.182 301 HG3 PRO 929 HG1 PRO 929 6.513 -7.165 -3.282 302 HD2 PRO 929 HD2 PRO 929 4.579 -6.958 -1.448 303 HD3 PRO 929 HD1 PRO 929 5.295 -8.525 -1.859 304 HA PRO 930 HA PRO 930 9.541 -5.360 2.990 305 HB2 PRO 930 HB2 PRO 930 12.077 -5.085 1.781 306 HB3 PRO 930 HB1 PRO 930 11.655 -6.179 3.100 307 HG2 PRO 930 HG2 PRO 930 11.884 -6.727 0.185 308 HG3 PRO 930 HG1 PRO 930 12.236 -7.786 1.564 309 HD2 PRO 930 HD2 PRO 930 10.029 -8.116 0.086 310 HD3 PRO 930 HD1 PRO 930 10.006 -8.368 1.844 311 H TYR 931 HN TYR 931 9.301 -3.201 3.002 312 HA TYR 931 HA TYR 931 8.340 -1.944 0.699 313 HB2 TYR 931 HB2 TYR 931 7.769 -1.363 3.069 314 HB3 TYR 931 HB1 TYR 931 9.342 -0.603 3.215 315 HD1 TYR 931 HD2 TYR 931 7.460 -0.298 0.080 316 HD2 TYR 931 HD1 TYR 931 8.316 1.524 3.828 317 HE1 TYR 931 HE2 TYR 931 6.512 1.811 -0.733 318 HE2 TYR 931 HE1 TYR 931 7.359 3.633 3.030 319 HH TYR 931 HH TYR 931 5.562 3.845 0.111 320 H GLU 932 HN GLU 932 9.434 -1.337 -0.989 321 HA GLU 932 HA GLU 932 11.997 0.079 -0.679 322 HB2 GLU 932 HB2 GLU 932 10.629 -0.859 -3.221 323 HB3 GLU 932 HB1 GLU 932 12.244 -0.185 -3.096 324 HG2 GLU 932 HG2 GLU 932 12.988 -2.145 -1.871 325 HG3 GLU 932 HG1 GLU 932 11.354 -2.811 -1.927 326 H THR 933 HN THR 933 11.918 2.340 -0.977 327 HA THR 933 HA THR 933 9.261 3.371 -1.030 328 HB THR 933 HB THR 933 11.783 5.022 -1.218 329 HG1 THR 933 HG1 THR 933 11.057 3.433 0.750 330 HG21 THR 933 HG21 THR 933 8.928 5.622 -0.392 331 HG22 THR 933 HG22 THR 933 9.794 6.275 -1.784 332 HG23 THR 933 HG23 THR 933 10.286 6.729 -0.153 333 H PHE 934 HN PHE 934 8.121 3.669 -2.617 334 HA PHE 934 HA PHE 934 9.123 4.222 -5.293 335 HB2 PHE 934 HB2 PHE 934 6.897 3.630 -6.053 336 HB3 PHE 934 HB1 PHE 934 7.388 2.404 -4.883 337 HD1 PHE 934 HD1 PHE 934 6.348 2.328 -2.640 338 HD2 PHE 934 HD2 PHE 934 5.200 5.157 -5.597 339 HE1 PHE 934 HE1 PHE 934 4.427 2.988 -1.284 340 HE2 PHE 934 HE2 PHE 934 3.255 5.781 -4.258 341 HZ PHE 934 HZ PHE 934 2.897 4.705 -2.111 342 H GLU 935 HN GLU 935 7.197 5.861 -6.332 343 HA GLU 935 HA GLU 935 8.108 8.367 -5.640 344 HB2 GLU 935 HB2 GLU 935 6.079 9.239 -6.797 345 HB3 GLU 935 HB1 GLU 935 6.919 7.989 -7.703 346 HG2 GLU 935 HG2 GLU 935 4.728 7.041 -5.934 347 HG3 GLU 935 HG1 GLU 935 4.256 8.038 -7.326 348 H ASP 936 HN ASP 936 7.517 9.984 -4.288 349 HA ASP 936 HA ASP 936 6.343 9.296 -1.830 350 HB2 ASP 936 HB2 ASP 936 6.624 11.639 -1.229 351 HB3 ASP 936 HB1 ASP 936 8.052 11.058 -2.074 352 H LEU 937 HN LEU 937 4.430 9.844 -0.886 353 HA LEU 937 HA LEU 937 2.177 9.733 -2.550 354 HB2 LEU 937 HB2 LEU 937 0.844 9.761 -0.562 355 HB3 LEU 937 HB1 LEU 937 2.232 8.739 -0.318 356 HG LEU 937 HG LEU 937 1.940 9.786 1.722 357 HD11 LEU 937 HD11 LEU 937 3.793 11.326 2.068 358 HD12 LEU 937 HD12 LEU 937 3.969 11.501 0.322 359 HD13 LEU 937 HD13 LEU 937 4.258 9.937 1.086 360 HD21 LEU 937 HD21 LEU 937 1.488 12.401 0.302 361 HD22 LEU 937 HD22 LEU 937 1.527 12.176 2.050 362 HD23 LEU 937 HD23 LEU 937 0.268 11.401 1.090 363 HN1 NH2 938 H1 LEU 937 0.892 11.193 -3.390 364 HN2 NH2 938 H2 LEU 937 1.033 12.900 -3.166 Start of MODEL 7 1 H PHE 478 HT1 PHE 478 -12.840 5.712 2.342 2 HA PHE 478 HA PHE 478 -12.385 5.582 -0.033 3 HB2 PHE 478 HB2 PHE 478 -11.584 8.492 0.249 4 HB3 PHE 478 HB1 PHE 478 -11.489 7.509 -1.206 5 HD1 PHE 478 HD1 PHE 478 -13.611 6.710 -2.276 6 HD2 PHE 478 HD2 PHE 478 -13.546 9.674 0.776 7 HE1 PHE 478 HE1 PHE 478 -15.851 7.460 -2.962 8 HE2 PHE 478 HE2 PHE 478 -15.788 10.426 0.098 9 HZ PHE 478 HZ PHE 478 -16.941 9.317 -1.772 10 H LEU 479 HN LEU 479 -9.841 7.543 -0.158 11 HA LEU 479 HA LEU 479 -8.170 5.678 1.378 12 HB2 LEU 479 HB2 LEU 479 -8.002 5.759 -1.171 13 HB3 LEU 479 HB1 LEU 479 -7.300 7.351 -0.973 14 HG LEU 479 HG LEU 479 -5.532 6.206 0.511 15 HD11 LEU 479 HD11 LEU 479 -6.845 4.083 0.731 16 HD12 LEU 479 HD12 LEU 479 -5.184 3.862 0.184 17 HD13 LEU 479 HD13 LEU 479 -6.510 3.755 -0.973 18 HD21 LEU 479 HD21 LEU 479 -4.227 5.563 -1.465 19 HD22 LEU 479 HD22 LEU 479 -5.101 7.070 -1.743 20 HD23 LEU 479 HD23 LEU 479 -5.694 5.565 -2.445 21 HA PRO 480 HA PRO 480 -7.406 9.251 4.052 22 HB2 PRO 480 HB2 PRO 480 -5.264 7.299 4.751 23 HB3 PRO 480 HB1 PRO 480 -6.274 8.258 5.829 24 HG2 PRO 480 HG2 PRO 480 -6.820 5.714 5.506 25 HG3 PRO 480 HG1 PRO 480 -8.149 6.892 5.452 26 HD2 PRO 480 HD2 PRO 480 -6.779 5.475 3.197 27 HD3 PRO 480 HD1 PRO 480 -8.504 5.843 3.413 28 HA PRO 481 HA PRO 481 -4.370 11.448 1.822 29 HB2 PRO 481 HB2 PRO 481 -3.304 13.058 3.763 30 HB3 PRO 481 HB1 PRO 481 -4.882 13.315 3.010 31 HG2 PRO 481 HG2 PRO 481 -4.219 12.016 5.627 32 HG3 PRO 481 HG1 PRO 481 -5.517 13.161 5.241 33 HD2 PRO 481 HD2 PRO 481 -5.984 10.524 5.459 34 HD3 PRO 481 HD1 PRO 481 -6.843 11.528 4.272 35 H GLY 482 HN GLY 482 -3.276 9.361 4.316 36 HA2 GLY 482 HA2 GLY 482 -0.528 9.651 3.260 37 HA3 GLY 482 HA1 GLY 482 -0.856 9.150 4.902 38 H TRP 483 HN TRP 483 -3.202 7.691 3.299 39 HA TRP 483 HA TRP 483 -1.668 5.235 3.004 40 HB2 TRP 483 HB2 TRP 483 -4.631 5.823 2.954 41 HB3 TRP 483 HB1 TRP 483 -3.969 4.253 2.512 42 HD1 TRP 483 HD1 TRP 483 -3.767 6.651 5.541 43 HE1 TRP 483 HE1 TRP 483 -3.751 5.229 7.689 44 HE3 TRP 483 HE3 TRP 483 -3.801 2.012 3.403 45 HZ2 TRP 483 HZ2 TRP 483 -3.771 2.479 8.369 46 HZ3 TRP 483 HZ3 TRP 483 -3.792 0.039 4.866 47 HH2 TRP 483 HH2 TRP 483 -3.776 0.267 7.301 48 H GLU 484 HN GLU 484 -0.978 4.581 1.102 49 HA GLU 484 HA GLU 484 -2.138 5.895 -1.250 50 HB2 GLU 484 HB2 GLU 484 0.510 5.847 -0.351 51 HB3 GLU 484 HB1 GLU 484 0.459 4.762 -1.716 52 HG2 GLU 484 HG2 GLU 484 -0.408 7.627 -1.681 53 HG3 GLU 484 HG1 GLU 484 1.047 6.983 -2.433 54 H MET 485 HN MET 485 -2.766 4.695 -2.898 55 HA MET 485 HA MET 485 -2.874 1.778 -2.421 56 HB2 MET 485 HB2 MET 485 -5.050 3.046 -2.296 57 HB3 MET 485 HB1 MET 485 -4.841 3.484 -3.984 58 HG2 MET 485 HG2 MET 485 -4.742 1.007 -4.454 59 HG3 MET 485 HG1 MET 485 -5.313 0.769 -2.810 60 HE1 MET 485 HE1 MET 485 -8.819 2.555 -2.937 61 HE2 MET 485 HE2 MET 485 -7.283 3.293 -2.479 62 HE3 MET 485 HE3 MET 485 -7.676 1.664 -1.929 63 H ARG 486 HN ARG 486 -1.323 0.925 -3.676 64 HA ARG 486 HA ARG 486 -1.133 1.794 -6.486 65 HB2 ARG 486 HB2 ARG 486 1.184 1.248 -4.618 66 HB3 ARG 486 HB1 ARG 486 1.319 1.617 -6.331 67 HG2 ARG 486 HG2 ARG 486 0.134 3.480 -4.289 68 HG3 ARG 486 HG1 ARG 486 1.811 3.528 -4.833 69 HD2 ARG 486 HD2 ARG 486 -0.607 3.832 -6.606 70 HD3 ARG 486 HD1 ARG 486 0.379 5.158 -5.995 71 HE ARG 486 HE ARG 486 2.211 3.664 -7.244 72 HH11 ARG 486 HH11 ARG 486 -0.909 4.863 -8.218 73 HH12 ARG 486 HH12 ARG 486 -0.541 4.869 -9.915 74 HH21 ARG 486 HH21 ARG 486 2.760 3.713 -9.474 75 HH22 ARG 486 HH22 ARG 486 1.548 4.182 -10.637 76 H ILE 487 HN ILE 487 -0.498 0.135 -7.957 77 HA ILE 487 HA ILE 487 -0.503 -2.538 -6.762 78 HB ILE 487 HB ILE 487 -1.090 -3.515 -8.836 79 HG12 ILE 487 HG12 ILE 487 0.365 -1.839 -10.180 80 HG13 ILE 487 HG11 ILE 487 -1.064 -2.528 -10.942 81 HG21 ILE 487 HG21 ILE 487 -2.949 -2.584 -7.623 82 HG22 ILE 487 HG22 ILE 487 -3.235 -2.428 -9.358 83 HG23 ILE 487 HG23 ILE 487 -2.728 -1.025 -8.416 84 HD11 ILE 487 HD11 ILE 487 -0.892 0.195 -9.679 85 HD12 ILE 487 HD12 ILE 487 -2.299 -0.496 -10.490 86 HD13 ILE 487 HD13 ILE 487 -0.832 -0.155 -11.407 87 H ALA 488 HN ALA 488 1.069 -4.043 -7.275 88 HA ALA 488 HA ALA 488 3.618 -2.959 -8.200 89 HB1 ALA 488 HB1 ALA 488 4.548 -5.129 -7.524 90 HB2 ALA 488 HB2 ALA 488 2.925 -5.728 -7.181 91 HB3 ALA 488 HB3 ALA 488 3.604 -4.422 -6.212 92 HA PRO 489 HA PRO 489 3.447 -3.671 -12.387 93 HB2 PRO 489 HB2 PRO 489 5.591 -5.740 -12.152 94 HB3 PRO 489 HB1 PRO 489 5.454 -4.380 -13.275 95 HG2 PRO 489 HG2 PRO 489 7.028 -4.178 -11.165 96 HG3 PRO 489 HG1 PRO 489 6.003 -2.810 -11.639 97 HD2 PRO 489 HD2 PRO 489 5.687 -4.722 -9.377 98 HD3 PRO 489 HD1 PRO 489 5.262 -3.002 -9.472 99 H ASN 490 HN ASN 490 2.762 -6.547 -10.567 100 HA ASN 490 HA ASN 490 1.787 -7.855 -13.012 101 HB2 ASN 490 HB2 ASN 490 1.521 -9.870 -11.758 102 HB3 ASN 490 HB1 ASN 490 3.099 -9.213 -11.335 103 HD21 ASN 490 HD21 ASN 490 1.144 -11.001 -9.961 104 HD22 ASN 490 HD22 ASN 490 0.915 -10.288 -8.398 105 H GLY 491 HN GLY 491 0.752 -5.743 -10.713 106 HA2 GLY 491 HA2 GLY 491 -1.354 -4.710 -10.819 107 HA3 GLY 491 HA1 GLY 491 -2.044 -6.187 -11.453 108 H ARG 492 HN ARG 492 0.013 -6.320 -8.621 109 HA ARG 492 HA ARG 492 -2.316 -6.966 -6.983 110 HB2 ARG 492 HB2 ARG 492 -0.643 -7.405 -5.175 111 HB3 ARG 492 HB1 ARG 492 -0.454 -8.428 -6.574 112 HG2 ARG 492 HG2 ARG 492 1.371 -6.937 -7.353 113 HG3 ARG 492 HG1 ARG 492 1.216 -6.042 -5.840 114 HD2 ARG 492 HD2 ARG 492 3.032 -7.728 -5.808 115 HD3 ARG 492 HD1 ARG 492 1.808 -7.992 -4.565 116 HE ARG 492 HE ARG 492 0.876 -9.577 -6.448 117 HH11 ARG 492 HH11 ARG 492 4.196 -9.159 -5.393 118 HH12 ARG 492 HH12 ARG 492 4.659 -10.775 -5.818 119 HH21 ARG 492 HH21 ARG 492 1.496 -11.704 -6.974 120 HH22 ARG 492 HH22 ARG 492 3.143 -12.208 -6.733 121 HA PRO 493 HA PRO 493 -2.217 -2.762 -5.519 122 HB2 PRO 493 HB2 PRO 493 -4.700 -2.740 -4.469 123 HB3 PRO 493 HB1 PRO 493 -4.408 -2.684 -6.209 124 HG2 PRO 493 HG2 PRO 493 -5.420 -4.897 -4.542 125 HG3 PRO 493 HG1 PRO 493 -5.651 -4.593 -6.271 126 HD2 PRO 493 HD2 PRO 493 -3.808 -6.399 -5.037 127 HD3 PRO 493 HD1 PRO 493 -3.990 -6.042 -6.764 128 H PHE 494 HN PHE 494 -0.991 -2.348 -3.809 129 HA PHE 494 HA PHE 494 -1.764 -3.525 -1.231 130 HB2 PHE 494 HB2 PHE 494 0.538 -3.614 -0.564 131 HB3 PHE 494 HB1 PHE 494 0.403 -4.391 -2.125 132 HD1 PHE 494 HD2 PHE 494 0.442 -1.862 -3.850 133 HD2 PHE 494 HD1 PHE 494 2.821 -3.098 -0.542 134 HE1 PHE 494 HE2 PHE 494 2.310 -0.476 -4.672 135 HE2 PHE 494 HE1 PHE 494 4.692 -1.726 -1.379 136 HZ PHE 494 HZ PHE 494 4.433 -0.423 -3.442 137 H PHE 495 HN PHE 495 -2.096 -2.164 0.437 138 HA PHE 495 HA PHE 495 -2.108 0.677 -0.147 139 HB2 PHE 495 HB2 PHE 495 -3.080 -0.736 2.345 140 HB3 PHE 495 HB1 PHE 495 -3.436 0.918 1.860 141 HD1 PHE 495 HD2 PHE 495 -4.967 1.366 0.004 142 HD2 PHE 495 HD1 PHE 495 -4.256 -2.588 1.408 143 HE1 PHE 495 HE2 PHE 495 -6.977 0.586 -1.180 144 HE2 PHE 495 HE1 PHE 495 -6.265 -3.374 0.229 145 HZ PHE 495 HZ PHE 495 -7.629 -1.786 -1.068 146 H ILE 496 HN ILE 496 -0.386 1.830 0.287 147 HA ILE 496 HA ILE 496 1.431 0.991 2.441 148 HB ILE 496 HB ILE 496 2.037 3.110 0.392 149 HG12 ILE 496 HG12 ILE 496 3.467 1.124 -0.616 150 HG13 ILE 496 HG11 ILE 496 2.194 0.137 0.099 151 HG21 ILE 496 HG21 ILE 496 3.447 3.069 2.361 152 HG22 ILE 496 HG22 ILE 496 4.366 2.539 0.952 153 HG23 ILE 496 HG23 ILE 496 3.781 1.355 2.120 154 HD11 ILE 496 HD11 ILE 496 1.809 2.343 -1.913 155 HD12 ILE 496 HD12 ILE 496 0.525 1.379 -1.184 156 HD13 ILE 496 HD13 ILE 496 1.721 0.611 -2.227 157 H ASP 497 HN ASP 497 0.796 1.974 4.317 158 HA ASP 497 HA ASP 497 0.002 4.741 4.049 159 HB2 ASP 497 HB2 ASP 497 -1.374 4.118 5.581 160 HB3 ASP 497 HB1 ASP 497 -0.384 2.797 6.207 161 H HIS 498 HN HIS 498 0.952 6.293 4.493 162 HA HIS 498 HA HIS 498 3.838 6.045 4.549 163 HB2 HIS 498 HB2 HIS 498 2.017 8.355 3.904 164 HB3 HIS 498 HB1 HIS 498 3.775 8.499 3.946 165 HD1 HIS 498 HD1 HIS 498 5.099 7.527 1.996 166 HD2 HIS 498 HD2 HIS 498 1.010 6.715 1.751 167 HE1 HIS 498 HE1 HIS 498 4.739 6.462 -0.257 168 HE2 HIS 498 HE2 HIS 498 2.242 6.239 -0.471 169 H ASN 499 HN ASN 499 1.474 6.603 6.861 170 HA ASN 499 HA ASN 499 3.076 8.311 8.554 171 HB2 ASN 499 HB2 ASN 499 0.611 6.670 9.190 172 HB3 ASN 499 HB1 ASN 499 1.379 7.797 10.299 173 HD21 ASN 499 HD21 ASN 499 -0.642 7.414 7.536 174 HD22 ASN 499 HD22 ASN 499 -1.145 9.073 7.418 175 H THR 500 HN THR 500 2.091 4.882 8.586 176 HA THR 500 HA THR 500 3.949 4.250 10.705 177 HB THR 500 HB THR 500 3.297 1.890 10.270 178 HG1 THR 500 HG1 THR 500 1.447 2.973 8.378 179 HG21 THR 500 HG21 THR 500 0.979 3.813 10.523 180 HG22 THR 500 HG22 THR 500 2.006 3.252 11.842 181 HG23 THR 500 HG23 THR 500 0.965 2.112 10.990 182 H LYS 501 HN LYS 501 4.105 4.517 7.321 183 HA LYS 501 HA LYS 501 5.730 4.139 5.767 184 HB2 LYS 501 HB2 LYS 501 7.429 3.240 8.104 185 HB3 LYS 501 HB1 LYS 501 8.010 3.524 6.474 186 HG2 LYS 501 HG2 LYS 501 6.683 5.684 8.054 187 HG3 LYS 501 HG1 LYS 501 8.398 5.330 8.237 188 HD2 LYS 501 HD2 LYS 501 6.987 6.133 5.695 189 HD3 LYS 501 HD1 LYS 501 8.079 7.136 6.649 190 HE2 LYS 501 HE2 LYS 501 9.765 5.183 6.255 191 HE3 LYS 501 HE1 LYS 501 8.697 4.781 4.911 192 HZ1 LYS 501 HZ1 LYS 501 10.282 7.241 5.332 193 HZ2 LYS 501 HZ2 LYS 501 8.998 7.197 4.229 194 HZ3 LYS 501 HZ3 LYS 501 10.330 6.173 4.016 195 H THR 502 HN THR 502 3.808 2.106 6.831 196 HA THR 502 HA THR 502 5.198 -0.292 5.833 197 HB THR 502 HB THR 502 3.884 -1.702 7.365 198 HG1 THR 502 HG1 THR 502 2.856 0.807 8.171 199 HG21 THR 502 HG21 THR 502 5.080 -1.146 9.433 200 HG22 THR 502 HG22 THR 502 5.503 0.429 8.759 201 HG23 THR 502 HG23 THR 502 6.129 -1.044 8.020 202 H THR 503 HN THR 503 3.932 -1.788 4.685 203 HA THR 503 HA THR 503 1.425 -0.653 3.674 204 HB THR 503 HB THR 503 3.085 -0.699 1.923 205 HG1 THR 503 HG1 THR 503 0.849 -1.412 1.509 206 HG21 THR 503 HG21 THR 503 3.360 -3.651 2.484 207 HG22 THR 503 HG22 THR 503 4.578 -2.415 2.803 208 HG23 THR 503 HG23 THR 503 4.108 -2.782 1.144 209 H THR 504 HN THR 504 -0.298 -2.063 3.239 210 HA THR 504 HA THR 504 -0.130 -4.795 4.229 211 HB THR 504 HB THR 504 -0.768 -3.550 6.226 212 HG1 THR 504 HG1 THR 504 -2.627 -4.718 6.690 213 HG21 THR 504 HG21 THR 504 -3.077 -2.497 4.588 214 HG22 THR 504 HG22 THR 504 -1.701 -1.556 5.165 215 HG23 THR 504 HG23 THR 504 -2.842 -2.248 6.319 216 H TRP 505 HN TRP 505 -1.786 -6.140 3.427 217 HA TRP 505 HA TRP 505 -2.996 -5.244 0.967 218 HB2 TRP 505 HB2 TRP 505 -3.276 -7.879 2.428 219 HB3 TRP 505 HB1 TRP 505 -3.849 -7.548 0.800 220 HD1 TRP 505 HD1 TRP 505 -0.797 -8.606 2.722 221 HE1 TRP 505 HE1 TRP 505 1.115 -9.118 1.078 222 HE3 TRP 505 HE3 TRP 505 -2.847 -6.670 -1.545 223 HZ2 TRP 505 HZ2 TRP 505 1.675 -8.756 -1.669 224 HZ3 TRP 505 HZ3 TRP 505 -1.565 -6.808 -3.642 225 HH2 TRP 505 HH2 TRP 505 0.649 -7.829 -3.707 226 H GLU 506 HN GLU 506 -3.833 -4.957 4.150 227 HA GLU 506 HA GLU 506 -6.670 -5.494 3.862 228 HB2 GLU 506 HB2 GLU 506 -5.417 -6.077 5.949 229 HB3 GLU 506 HB1 GLU 506 -5.176 -4.359 6.227 230 HG2 GLU 506 HG2 GLU 506 -6.984 -5.077 7.591 231 HG3 GLU 506 HG1 GLU 506 -7.651 -4.093 6.289 232 H ASP 507 HN ASP 507 -8.213 -4.151 3.573 233 HA ASP 507 HA ASP 507 -7.435 -1.520 2.797 234 HB2 ASP 507 HB2 ASP 507 -8.953 -2.746 1.342 235 HB3 ASP 507 HB1 ASP 507 -10.113 -2.911 2.656 236 HA PRO 508 HA PRO 508 -8.526 0.067 6.794 237 HB2 PRO 508 HB2 PRO 508 -8.094 2.692 6.326 238 HB3 PRO 508 HB1 PRO 508 -6.781 1.522 6.503 239 HG2 PRO 508 HG2 PRO 508 -7.923 2.728 4.030 240 HG3 PRO 508 HG1 PRO 508 -6.241 2.339 4.414 241 HD2 PRO 508 HD2 PRO 508 -7.875 0.788 2.829 242 HD3 PRO 508 HD1 PRO 508 -6.455 0.183 3.703 243 H ARG 509 HN ARG 509 -10.337 0.474 4.025 244 HA ARG 509 HA ARG 509 -12.500 0.978 3.620 245 HB2 ARG 509 HB2 ARG 509 -12.831 1.106 6.620 246 HB3 ARG 509 HB1 ARG 509 -14.102 0.869 5.430 247 HG2 ARG 509 HG2 ARG 509 -11.863 -1.042 6.060 248 HG3 ARG 509 HG1 ARG 509 -13.557 -1.221 6.510 249 HD2 ARG 509 HD2 ARG 509 -14.200 -1.409 4.193 250 HD3 ARG 509 HD1 ARG 509 -12.547 -1.083 3.674 251 HE ARG 509 HE ARG 509 -12.710 -3.352 5.400 252 HH11 ARG 509 HH11 ARG 509 -13.109 -2.294 2.085 253 HH12 ARG 509 HH12 ARG 509 -12.857 -3.880 1.419 254 HH21 ARG 509 HH21 ARG 509 -12.339 -5.418 4.531 255 HH22 ARG 509 HH22 ARG 509 -12.433 -5.651 2.809 256 H1 ARG 925 HT1 ARG 925 -0.447 -18.796 -0.269 257 H2 ARG 925 HT2 ARG 925 0.010 -19.890 0.941 258 H3 ARG 925 HT3 ARG 925 1.176 -19.247 -0.108 259 HA ARG 925 HA ARG 925 -0.415 -17.687 1.841 260 HB2 ARG 925 HB2 ARG 925 2.495 -18.520 1.898 261 HB3 ARG 925 HB1 ARG 925 1.734 -17.425 3.042 262 HG2 ARG 925 HG2 ARG 925 1.014 -20.318 2.634 263 HG3 ARG 925 HG1 ARG 925 1.978 -19.668 3.961 264 HD2 ARG 925 HD2 ARG 925 0.105 -18.420 4.787 265 HD3 ARG 925 HD1 ARG 925 -0.857 -18.833 3.367 266 HE ARG 925 HE ARG 925 0.079 -21.100 4.893 267 HH11 ARG 925 HH11 ARG 925 -2.476 -18.746 4.481 268 HH12 ARG 925 HH12 ARG 925 -3.695 -19.752 5.191 269 HH21 ARG 925 HH21 ARG 925 -1.530 -22.438 5.819 270 HH22 ARG 925 HH22 ARG 925 -3.163 -21.860 5.937 271 H LEU 926 HN LEU 926 -0.637 -15.663 1.200 272 HA LEU 926 HA LEU 926 1.063 -14.543 -0.871 273 HB2 LEU 926 HB2 LEU 926 -1.556 -14.178 -0.229 274 HB3 LEU 926 HB1 LEU 926 -0.837 -12.808 0.588 275 HG LEU 926 HG LEU 926 -0.688 -13.417 -2.363 276 HD11 LEU 926 HD11 LEU 926 -1.988 -11.359 -2.588 277 HD12 LEU 926 HD12 LEU 926 -2.061 -11.213 -0.832 278 HD13 LEU 926 HD13 LEU 926 -2.847 -12.572 -1.636 279 HD21 LEU 926 HD21 LEU 926 0.505 -11.112 -0.828 280 HD22 LEU 926 HD22 LEU 926 0.475 -11.279 -2.582 281 HD23 LEU 926 HD23 LEU 926 1.400 -12.417 -1.604 282 H ASP 927 HN ASP 927 2.862 -13.391 -0.460 283 HA ASP 927 HA ASP 927 3.383 -12.659 2.333 284 HB2 ASP 927 HB2 ASP 927 4.976 -14.204 1.175 285 HB3 ASP 927 HB1 ASP 927 5.374 -12.891 0.069 286 H LEU 928 HN LEU 928 3.164 -10.633 2.889 287 HA LEU 928 HA LEU 928 2.990 -8.420 1.115 288 HB2 LEU 928 HB2 LEU 928 1.964 -8.624 3.399 289 HB3 LEU 928 HB1 LEU 928 3.561 -8.476 4.090 290 HG LEU 928 HG LEU 928 2.100 -6.421 4.166 291 HD11 LEU 928 HD11 LEU 928 4.499 -6.299 4.532 292 HD12 LEU 928 HD12 LEU 928 3.918 -4.880 3.662 293 HD13 LEU 928 HD13 LEU 928 4.768 -6.158 2.794 294 HD21 LEU 928 HD21 LEU 928 2.716 -6.364 1.219 295 HD22 LEU 928 HD22 LEU 928 2.017 -5.034 2.142 296 HD23 LEU 928 HD23 LEU 928 1.125 -6.544 1.958 297 HA PRO 929 HA PRO 929 7.422 -8.061 0.577 298 HB2 PRO 929 HB2 PRO 929 7.451 -5.919 -1.051 299 HB3 PRO 929 HB1 PRO 929 6.916 -7.510 -1.612 300 HG2 PRO 929 HG2 PRO 929 5.279 -5.154 -0.741 301 HG3 PRO 929 HG1 PRO 929 5.041 -6.227 -2.133 302 HD2 PRO 929 HD2 PRO 929 3.658 -6.478 0.201 303 HD3 PRO 929 HD1 PRO 929 4.027 -7.840 -0.871 304 HA PRO 930 HA PRO 930 8.473 -5.094 3.814 305 HB2 PRO 930 HB2 PRO 930 11.171 -5.085 3.051 306 HB3 PRO 930 HB1 PRO 930 10.445 -6.126 4.278 307 HG2 PRO 930 HG2 PRO 930 11.091 -6.719 1.430 308 HG3 PRO 930 HG1 PRO 930 11.169 -7.781 2.848 309 HD2 PRO 930 HD2 PRO 930 9.183 -7.978 1.057 310 HD3 PRO 930 HD1 PRO 930 8.892 -8.229 2.792 311 H TYR 931 HN TYR 931 8.272 -2.925 3.589 312 HA TYR 931 HA TYR 931 7.885 -1.906 0.991 313 HB2 TYR 931 HB2 TYR 931 6.571 -1.075 2.796 314 HB3 TYR 931 HB1 TYR 931 7.992 -0.624 3.718 315 HD1 TYR 931 HD1 TYR 931 6.889 0.188 0.204 316 HD2 TYR 931 HD2 TYR 931 7.991 1.644 4.050 317 HE1 TYR 931 HE1 TYR 931 6.680 2.494 -0.609 318 HE2 TYR 931 HE2 TYR 931 7.785 3.944 3.249 319 HH TYR 931 HH TYR 931 6.430 4.691 0.131 320 H GLU 932 HN GLU 932 9.373 -1.456 -0.387 321 HA GLU 932 HA GLU 932 11.654 0.233 0.382 322 HB2 GLU 932 HB2 GLU 932 12.276 -1.786 -0.893 323 HB3 GLU 932 HB1 GLU 932 11.124 -1.364 -2.149 324 HG2 GLU 932 HG2 GLU 932 13.423 -0.851 -2.788 325 HG3 GLU 932 HG1 GLU 932 12.411 0.590 -2.730 326 H THR 933 HN THR 933 11.772 2.324 -0.714 327 HA THR 933 HA THR 933 9.112 3.255 -1.134 328 HB THR 933 HB THR 933 11.558 4.907 -1.711 329 HG1 THR 933 HG1 THR 933 11.529 3.841 0.458 330 HG21 THR 933 HG21 THR 933 9.449 5.878 -2.417 331 HG22 THR 933 HG22 THR 933 10.008 6.724 -0.972 332 HG23 THR 933 HG23 THR 933 8.716 5.521 -0.852 333 H PHE 934 HN PHE 934 8.034 3.138 -2.791 334 HA PHE 934 HA PHE 934 9.149 3.020 -5.477 335 HB2 PHE 934 HB2 PHE 934 6.964 2.243 -6.167 336 HB3 PHE 934 HB1 PHE 934 7.385 1.352 -4.703 337 HD1 PHE 934 HD1 PHE 934 5.260 3.841 -6.193 338 HD2 PHE 934 HD2 PHE 934 6.228 1.812 -2.585 339 HE1 PHE 934 HE1 PHE 934 3.248 4.755 -5.160 340 HE2 PHE 934 HE2 PHE 934 4.202 2.738 -1.539 341 HZ PHE 934 HZ PHE 934 2.743 4.221 -2.847 342 H GLU 935 HN GLU 935 7.288 4.323 -6.985 343 HA GLU 935 HA GLU 935 8.166 6.928 -6.928 344 HB2 GLU 935 HB2 GLU 935 6.216 7.449 -8.372 345 HB3 GLU 935 HB1 GLU 935 7.070 5.993 -8.863 346 HG2 GLU 935 HG2 GLU 935 4.799 5.576 -7.007 347 HG3 GLU 935 HG1 GLU 935 4.395 6.174 -8.627 348 H ASP 936 HN ASP 936 7.394 8.871 -6.261 349 HA ASP 936 HA ASP 936 6.371 9.086 -3.696 350 HB2 ASP 936 HB2 ASP 936 7.721 10.808 -4.852 351 HB3 ASP 936 HB1 ASP 936 6.337 11.186 -5.875 352 H LEU 937 HN LEU 937 4.396 9.501 -2.813 353 HA LEU 937 HA LEU 937 2.112 8.524 -4.039 354 HB2 LEU 937 HB2 LEU 937 0.982 10.058 -2.161 355 HB3 LEU 937 HB1 LEU 937 1.720 8.511 -1.839 356 HG LEU 937 HG LEU 937 3.756 9.634 -1.039 357 HD11 LEU 937 HD11 LEU 937 2.234 12.199 -1.488 358 HD12 LEU 937 HD12 LEU 937 3.644 11.672 -2.405 359 HD13 LEU 937 HD13 LEU 937 3.796 12.047 -0.688 360 HD21 LEU 937 HD21 LEU 937 2.805 10.575 1.001 361 HD22 LEU 937 HD22 LEU 937 1.980 9.089 0.529 362 HD23 LEU 937 HD23 LEU 937 1.222 10.654 0.227 363 HN1 NH2 938 H1 LEU 937 1.344 9.276 -5.870 364 HN2 NH2 938 H2 LEU 937 0.928 10.924 -6.199 Start of MODEL 8 1 H PHE 478 HT1 PHE 478 -9.261 11.770 -0.492 2 HA PHE 478 HA PHE 478 -11.076 10.510 -1.547 3 HB2 PHE 478 HB2 PHE 478 -9.623 9.530 -3.347 4 HB3 PHE 478 HB1 PHE 478 -8.879 8.506 -2.135 5 HD1 PHE 478 HD2 PHE 478 -12.125 9.303 -3.737 6 HD2 PHE 478 HD1 PHE 478 -9.837 6.464 -1.542 7 HE1 PHE 478 HE2 PHE 478 -13.893 7.624 -4.073 8 HE2 PHE 478 HE1 PHE 478 -11.601 4.780 -1.874 9 HZ PHE 478 HZ PHE 478 -13.632 5.359 -3.141 10 H LEU 479 HN LEU 479 -8.380 8.601 -0.242 11 HA LEU 479 HA LEU 479 -10.064 7.956 2.068 12 HB2 LEU 479 HB2 LEU 479 -8.923 5.860 2.241 13 HB3 LEU 479 HB1 LEU 479 -9.470 6.048 0.592 14 HG LEU 479 HG LEU 479 -6.622 6.427 1.543 15 HD11 LEU 479 HD11 LEU 479 -6.196 4.350 0.346 16 HD12 LEU 479 HD12 LEU 479 -7.910 4.219 -0.049 17 HD13 LEU 479 HD13 LEU 479 -7.380 4.107 1.631 18 HD21 LEU 479 HD21 LEU 479 -7.752 6.391 -1.257 19 HD22 LEU 479 HD22 LEU 479 -6.045 6.478 -0.824 20 HD23 LEU 479 HD23 LEU 479 -7.128 7.811 -0.417 21 HA PRO 480 HA PRO 480 -7.770 9.699 5.357 22 HB2 PRO 480 HB2 PRO 480 -6.399 7.027 5.542 23 HB3 PRO 480 HB1 PRO 480 -6.886 8.106 6.849 24 HG2 PRO 480 HG2 PRO 480 -8.427 6.055 6.132 25 HG3 PRO 480 HG1 PRO 480 -9.144 7.615 6.577 26 HD2 PRO 480 HD2 PRO 480 -8.990 6.322 3.940 27 HD3 PRO 480 HD1 PRO 480 -10.037 7.634 4.493 28 HA PRO 481 HA PRO 481 -4.346 11.452 3.194 29 HB2 PRO 481 HB2 PRO 481 -3.556 12.184 5.977 30 HB3 PRO 481 HB1 PRO 481 -3.658 13.199 4.532 31 HG2 PRO 481 HG2 PRO 481 -5.554 13.299 6.398 32 HG3 PRO 481 HG1 PRO 481 -5.967 13.398 4.676 33 HD2 PRO 481 HD2 PRO 481 -6.304 11.136 6.581 34 HD3 PRO 481 HD1 PRO 481 -7.301 11.600 5.190 35 H GLY 482 HN GLY 482 -2.854 10.127 2.439 36 HA2 GLY 482 HA2 GLY 482 -0.571 9.452 2.686 37 HA3 GLY 482 HA1 GLY 482 -0.895 9.021 4.341 38 H TRP 483 HN TRP 483 -3.523 7.913 2.843 39 HA TRP 483 HA TRP 483 -2.361 5.256 2.626 40 HB2 TRP 483 HB2 TRP 483 -5.205 6.247 2.665 41 HB3 TRP 483 HB1 TRP 483 -4.795 4.575 2.284 42 HD1 TRP 483 HD1 TRP 483 -4.615 7.110 5.170 43 HE1 TRP 483 HE1 TRP 483 -4.413 5.777 7.380 44 HE3 TRP 483 HE3 TRP 483 -4.095 2.377 3.246 45 HZ2 TRP 483 HZ2 TRP 483 -4.063 3.094 8.184 46 HZ3 TRP 483 HZ3 TRP 483 -3.820 0.503 4.804 47 HH2 TRP 483 HH2 TRP 483 -3.805 0.854 7.222 48 H GLU 484 HN GLU 484 -1.439 4.824 0.812 49 HA GLU 484 HA GLU 484 -2.503 5.967 -1.655 50 HB2 GLU 484 HB2 GLU 484 0.108 5.561 -0.597 51 HB3 GLU 484 HB1 GLU 484 -0.054 4.619 -2.062 52 HG2 GLU 484 HG2 GLU 484 0.840 6.872 -2.458 53 HG3 GLU 484 HG1 GLU 484 -0.659 6.554 -3.327 54 H MET 485 HN MET 485 -3.288 4.789 -3.217 55 HA MET 485 HA MET 485 -3.460 1.858 -2.824 56 HB2 MET 485 HB2 MET 485 -5.296 3.764 -4.302 57 HB3 MET 485 HB1 MET 485 -5.423 2.019 -4.413 58 HG2 MET 485 HG2 MET 485 -5.812 1.907 -2.040 59 HG3 MET 485 HG1 MET 485 -5.703 3.662 -1.919 60 HE1 MET 485 HE1 MET 485 -7.416 5.311 -3.212 61 HE2 MET 485 HE2 MET 485 -8.797 4.733 -4.147 62 HE3 MET 485 HE3 MET 485 -7.155 4.434 -4.718 63 H ARG 486 HN ARG 486 -1.982 0.895 -4.012 64 HA ARG 486 HA ARG 486 -1.639 1.641 -6.806 65 HB2 ARG 486 HB2 ARG 486 0.609 1.778 -4.794 66 HB3 ARG 486 HB1 ARG 486 0.849 1.774 -6.537 67 HG2 ARG 486 HG2 ARG 486 -1.053 3.776 -5.971 68 HG3 ARG 486 HG1 ARG 486 0.265 3.960 -4.811 69 HD2 ARG 486 HD2 ARG 486 0.634 5.260 -6.851 70 HD3 ARG 486 HD1 ARG 486 1.879 4.041 -6.610 71 HE ARG 486 HE ARG 486 -0.380 3.628 -8.468 72 HH11 ARG 486 HH11 ARG 486 3.025 3.573 -7.698 73 HH12 ARG 486 HH12 ARG 486 3.518 3.033 -9.269 74 HH21 ARG 486 HH21 ARG 486 0.273 2.923 -10.577 75 HH22 ARG 486 HH22 ARG 486 1.969 2.686 -10.900 76 H ILE 487 HN ILE 487 -0.625 0.058 -8.058 77 HA ILE 487 HA ILE 487 -0.607 -2.584 -6.769 78 HB ILE 487 HB ILE 487 -0.817 -3.525 -9.037 79 HG12 ILE 487 HG12 ILE 487 -1.108 -0.644 -9.926 80 HG13 ILE 487 HG11 ILE 487 0.287 -1.664 -10.257 81 HG21 ILE 487 HG21 ILE 487 -3.141 -2.828 -9.440 82 HG22 ILE 487 HG22 ILE 487 -2.911 -1.474 -8.334 83 HG23 ILE 487 HG23 ILE 487 -2.818 -3.128 -7.732 84 HD11 ILE 487 HD11 ILE 487 -2.519 -2.152 -11.230 85 HD12 ILE 487 HD12 ILE 487 -1.112 -3.156 -11.578 86 HD13 ILE 487 HD13 ILE 487 -1.187 -1.502 -12.185 87 H ALA 488 HN ALA 488 1.130 -4.019 -7.069 88 HA ALA 488 HA ALA 488 3.619 -2.793 -7.963 89 HB1 ALA 488 HB1 ALA 488 4.701 -4.814 -7.152 90 HB2 ALA 488 HB2 ALA 488 3.134 -5.567 -6.872 91 HB3 ALA 488 HB3 ALA 488 3.622 -4.176 -5.914 92 HA PRO 489 HA PRO 489 3.422 -4.231 -12.114 93 HB2 PRO 489 HB2 PRO 489 6.155 -5.351 -11.781 94 HB3 PRO 489 HB1 PRO 489 5.541 -4.202 -12.975 95 HG2 PRO 489 HG2 PRO 489 7.070 -3.371 -10.961 96 HG3 PRO 489 HG1 PRO 489 5.695 -2.401 -11.522 97 HD2 PRO 489 HD2 PRO 489 5.933 -4.133 -9.097 98 HD3 PRO 489 HD1 PRO 489 5.114 -2.570 -9.291 99 H ASN 490 HN ASN 490 4.072 -6.443 -9.589 100 HA ASN 490 HA ASN 490 4.011 -8.841 -11.156 101 HB2 ASN 490 HB2 ASN 490 5.155 -8.778 -8.992 102 HB3 ASN 490 HB1 ASN 490 3.643 -8.390 -8.183 103 HD21 ASN 490 HD21 ASN 490 5.444 -10.864 -9.864 104 HD22 ASN 490 HD22 ASN 490 4.501 -12.205 -9.297 105 H GLY 491 HN GLY 491 1.662 -6.623 -10.218 106 HA2 GLY 491 HA2 GLY 491 -0.583 -6.762 -10.973 107 HA3 GLY 491 HA1 GLY 491 -0.442 -8.514 -10.983 108 H ARG 492 HN ARG 492 0.443 -6.348 -8.360 109 HA ARG 492 HA ARG 492 -1.668 -7.574 -6.708 110 HB2 ARG 492 HB2 ARG 492 0.020 -7.376 -4.827 111 HB3 ARG 492 HB1 ARG 492 0.317 -8.639 -5.966 112 HG2 ARG 492 HG2 ARG 492 1.926 -7.161 -7.131 113 HG3 ARG 492 HG1 ARG 492 1.689 -5.978 -5.848 114 HD2 ARG 492 HD2 ARG 492 3.697 -7.269 -5.442 115 HD3 ARG 492 HD1 ARG 492 2.488 -7.618 -4.206 116 HE ARG 492 HE ARG 492 2.385 -9.447 -6.395 117 HH11 ARG 492 HH11 ARG 492 4.079 -8.698 -3.424 118 HH12 ARG 492 HH12 ARG 492 4.569 -10.338 -3.122 119 HH21 ARG 492 HH21 ARG 492 3.027 -11.626 -5.994 120 HH22 ARG 492 HH22 ARG 492 3.942 -12.004 -4.558 121 HA PRO 493 HA PRO 493 -2.282 -3.214 -5.769 122 HB2 PRO 493 HB2 PRO 493 -4.787 -3.440 -4.831 123 HB3 PRO 493 HB1 PRO 493 -4.423 -3.575 -6.554 124 HG2 PRO 493 HG2 PRO 493 -5.117 -5.688 -4.596 125 HG3 PRO 493 HG1 PRO 493 -5.413 -5.628 -6.340 126 HD2 PRO 493 HD2 PRO 493 -3.333 -7.011 -4.994 127 HD3 PRO 493 HD1 PRO 493 -3.524 -6.804 -6.745 128 H PHE 494 HN PHE 494 -1.484 -2.223 -4.003 129 HA PHE 494 HA PHE 494 -2.166 -3.326 -1.375 130 HB2 PHE 494 HB2 PHE 494 0.151 -2.729 -0.598 131 HB3 PHE 494 HB1 PHE 494 0.043 -4.098 -1.683 132 HD1 PHE 494 HD2 PHE 494 0.212 -0.424 -2.458 133 HD2 PHE 494 HD1 PHE 494 2.081 -4.235 -2.725 134 HE1 PHE 494 HE2 PHE 494 2.002 0.552 -3.860 135 HE2 PHE 494 HE1 PHE 494 3.864 -3.269 -4.100 136 HZ PHE 494 HZ PHE 494 3.824 -0.881 -4.677 137 H PHE 495 HN PHE 495 -2.553 -1.897 0.253 138 HA PHE 495 HA PHE 495 -2.564 0.946 -0.356 139 HB2 PHE 495 HB2 PHE 495 -3.446 -0.408 2.207 140 HB3 PHE 495 HB1 PHE 495 -3.753 1.251 1.726 141 HD1 PHE 495 HD1 PHE 495 -5.178 1.680 -0.264 142 HD2 PHE 495 HD2 PHE 495 -4.947 -2.121 1.612 143 HE1 PHE 495 HE1 PHE 495 -7.300 1.046 -1.335 144 HE2 PHE 495 HE2 PHE 495 -7.076 -2.777 0.566 145 HZ PHE 495 HZ PHE 495 -8.257 -1.197 -0.915 146 H ILE 496 HN ILE 496 -0.722 1.982 -0.069 147 HA ILE 496 HA ILE 496 1.007 1.220 2.180 148 HB ILE 496 HB ILE 496 1.606 3.201 -0.027 149 HG12 ILE 496 HG12 ILE 496 2.387 0.292 0.252 150 HG13 ILE 496 HG11 ILE 496 1.395 1.002 -1.015 151 HG21 ILE 496 HG21 ILE 496 3.924 2.981 0.762 152 HG22 ILE 496 HG22 ILE 496 3.372 1.911 2.052 153 HG23 ILE 496 HG23 ILE 496 2.853 3.597 2.020 154 HD11 ILE 496 HD11 ILE 496 4.313 1.539 -0.550 155 HD12 ILE 496 HD12 ILE 496 3.318 2.277 -1.806 156 HD13 ILE 496 HD13 ILE 496 3.618 0.539 -1.824 157 H ASP 497 HN ASP 497 0.388 2.246 4.020 158 HA ASP 497 HA ASP 497 -0.601 4.976 3.762 159 HB2 ASP 497 HB2 ASP 497 -1.398 4.874 5.937 160 HB3 ASP 497 HB1 ASP 497 -1.654 3.235 5.354 161 H HIS 498 HN HIS 498 0.598 6.613 3.966 162 HA HIS 498 HA HIS 498 3.414 6.159 4.232 163 HB2 HIS 498 HB2 HIS 498 1.748 8.480 3.334 164 HB3 HIS 498 HB1 HIS 498 3.481 8.664 3.614 165 HD1 HIS 498 HD1 HIS 498 5.090 7.467 2.031 166 HD2 HIS 498 HD2 HIS 498 1.065 6.877 1.063 167 HE1 HIS 498 HE1 HIS 498 5.087 6.274 -0.181 168 HE2 HIS 498 HE2 HIS 498 2.654 6.221 -0.869 169 H ASN 499 HN ASN 499 1.041 6.965 6.449 170 HA ASN 499 HA ASN 499 2.683 8.779 7.974 171 HB2 ASN 499 HB2 ASN 499 0.890 8.630 9.699 172 HB3 ASN 499 HB1 ASN 499 0.311 9.132 8.118 173 HD21 ASN 499 HD21 ASN 499 -1.024 7.766 6.947 174 HD22 ASN 499 HD22 ASN 499 -1.788 6.387 7.655 175 H THR 500 HN THR 500 1.506 5.399 8.547 176 HA THR 500 HA THR 500 3.600 5.041 10.509 177 HB THR 500 HB THR 500 2.919 2.747 10.711 178 HG1 THR 500 HG1 THR 500 1.140 3.186 8.514 179 HG21 THR 500 HG21 THR 500 1.512 4.378 11.846 180 HG22 THR 500 HG22 THR 500 0.549 3.009 11.292 181 HG23 THR 500 HG23 THR 500 0.506 4.534 10.406 182 H LYS 501 HN LYS 501 3.194 4.663 7.129 183 HA LYS 501 HA LYS 501 4.679 4.298 5.445 184 HB2 LYS 501 HB2 LYS 501 6.414 5.227 7.033 185 HB3 LYS 501 HB1 LYS 501 6.753 3.574 7.520 186 HG2 LYS 501 HG2 LYS 501 7.433 3.026 5.252 187 HG3 LYS 501 HG1 LYS 501 7.043 4.665 4.727 188 HD2 LYS 501 HD2 LYS 501 9.437 4.426 5.108 189 HD3 LYS 501 HD1 LYS 501 8.728 5.552 6.266 190 HE2 LYS 501 HE2 LYS 501 8.596 3.661 7.897 191 HE3 LYS 501 HE1 LYS 501 9.511 2.681 6.750 192 HZ1 LYS 501 HZ1 LYS 501 11.289 4.361 6.862 193 HZ2 LYS 501 HZ2 LYS 501 10.996 3.623 8.359 194 HZ3 LYS 501 HZ3 LYS 501 10.416 5.188 8.055 195 H THR 502 HN THR 502 2.889 2.396 6.596 196 HA THR 502 HA THR 502 4.289 -0.158 6.227 197 HB THR 502 HB THR 502 1.491 0.216 7.306 198 HG1 THR 502 HG1 THR 502 2.700 1.256 8.800 199 HG21 THR 502 HG21 THR 502 1.884 -1.993 8.299 200 HG22 THR 502 HG22 THR 502 3.492 -2.034 7.577 201 HG23 THR 502 HG23 THR 502 2.062 -2.045 6.545 202 H THR 503 HN THR 503 3.470 -1.720 4.793 203 HA THR 503 HA THR 503 1.475 -0.758 2.846 204 HB THR 503 HB THR 503 3.562 -2.875 2.292 205 HG1 THR 503 HG1 THR 503 4.003 -0.292 2.713 206 HG21 THR 503 HG21 THR 503 1.642 -2.797 0.781 207 HG22 THR 503 HG22 THR 503 3.121 -2.289 -0.036 208 HG23 THR 503 HG23 THR 503 1.944 -1.084 0.484 209 H THR 504 HN THR 504 -0.433 -1.759 3.175 210 HA THR 504 HA THR 504 -0.361 -4.503 4.243 211 HB THR 504 HB THR 504 -1.337 -2.952 5.849 212 HG1 THR 504 HG1 THR 504 -3.152 -4.172 6.259 213 HG21 THR 504 HG21 THR 504 -3.392 -2.350 3.719 214 HG22 THR 504 HG22 THR 504 -2.141 -1.243 4.284 215 HG23 THR 504 HG23 THR 504 -3.421 -1.763 5.383 216 H TRP 505 HN TRP 505 -1.881 -6.014 3.503 217 HA TRP 505 HA TRP 505 -2.648 -5.585 0.715 218 HB2 TRP 505 HB2 TRP 505 -2.477 -8.063 2.426 219 HB3 TRP 505 HB1 TRP 505 -3.082 -8.065 0.774 220 HD1 TRP 505 HD1 TRP 505 0.023 -8.532 2.685 221 HE1 TRP 505 HE1 TRP 505 2.045 -8.560 1.092 222 HE3 TRP 505 HE3 TRP 505 -2.208 -6.649 -1.499 223 HZ2 TRP 505 HZ2 TRP 505 2.621 -7.870 -1.577 224 HZ3 TRP 505 HZ3 TRP 505 -0.864 -6.363 -3.527 225 HH2 TRP 505 HH2 TRP 505 1.507 -6.976 -3.575 226 H GLU 506 HN GLU 506 -4.035 -5.693 3.815 227 HA GLU 506 HA GLU 506 -6.697 -6.232 2.686 228 HB2 GLU 506 HB2 GLU 506 -5.903 -8.052 4.161 229 HB3 GLU 506 HB1 GLU 506 -5.686 -6.889 5.460 230 HG2 GLU 506 HG2 GLU 506 -8.042 -6.493 5.584 231 HG3 GLU 506 HG1 GLU 506 -8.326 -7.478 4.149 232 H ASP 507 HN ASP 507 -8.296 -4.915 3.121 233 HA ASP 507 HA ASP 507 -7.586 -2.284 3.691 234 HB2 ASP 507 HB2 ASP 507 -9.438 -2.843 2.193 235 HB3 ASP 507 HB1 ASP 507 -10.343 -3.511 3.548 236 HA PRO 508 HA PRO 508 -8.110 -2.718 8.114 237 HB2 PRO 508 HB2 PRO 508 -6.078 -1.154 8.778 238 HB3 PRO 508 HB1 PRO 508 -5.783 -2.685 7.943 239 HG2 PRO 508 HG2 PRO 508 -5.648 0.093 6.903 240 HG3 PRO 508 HG1 PRO 508 -4.741 -1.339 6.396 241 HD2 PRO 508 HD2 PRO 508 -7.111 -0.241 5.206 242 HD3 PRO 508 HD1 PRO 508 -6.219 -1.695 4.719 243 H ARG 509 HN ARG 509 -9.380 -0.375 6.301 244 HA ARG 509 HA ARG 509 -9.541 1.585 8.483 245 HB2 ARG 509 HB2 ARG 509 -10.405 3.144 6.658 246 HB3 ARG 509 HB1 ARG 509 -8.710 2.698 6.588 247 HG2 ARG 509 HG2 ARG 509 -9.115 2.281 4.438 248 HG3 ARG 509 HG1 ARG 509 -9.839 0.781 5.020 249 HD2 ARG 509 HD2 ARG 509 -12.018 2.072 5.194 250 HD3 ARG 509 HD1 ARG 509 -11.219 3.348 4.278 251 HE ARG 509 HE ARG 509 -10.831 1.032 2.835 252 HH11 ARG 509 HH11 ARG 509 -13.600 2.826 4.004 253 HH12 ARG 509 HH12 ARG 509 -14.633 2.353 2.694 254 HH21 ARG 509 HH21 ARG 509 -12.167 0.426 1.084 255 HH22 ARG 509 HH22 ARG 509 -13.811 0.999 1.009 256 H1 ARG 925 HT1 ARG 925 -1.945 -17.775 -1.130 257 H2 ARG 925 HT2 ARG 925 -2.499 -18.486 0.306 258 H3 ARG 925 HT3 ARG 925 -0.839 -18.462 -0.045 259 HA ARG 925 HA ARG 925 -2.522 -16.079 0.470 260 HB2 ARG 925 HB2 ARG 925 -1.845 -17.727 2.384 261 HB3 ARG 925 HB1 ARG 925 -0.237 -17.061 2.161 262 HG2 ARG 925 HG2 ARG 925 -1.206 -15.868 3.941 263 HG3 ARG 925 HG1 ARG 925 -1.250 -14.785 2.549 264 HD2 ARG 925 HD2 ARG 925 -3.595 -16.529 3.224 265 HD3 ARG 925 HD1 ARG 925 -3.352 -14.988 4.043 266 HE ARG 925 HE ARG 925 -3.438 -13.942 1.802 267 HH11 ARG 925 HH11 ARG 925 -4.883 -17.104 2.279 268 HH12 ARG 925 HH12 ARG 925 -6.030 -16.918 0.983 269 HH21 ARG 925 HH21 ARG 925 -4.965 -13.689 0.108 270 HH22 ARG 925 HH22 ARG 925 -6.065 -14.990 -0.246 271 H LEU 926 HN LEU 926 -1.669 -14.264 -0.409 272 HA LEU 926 HA LEU 926 0.715 -14.483 -1.956 273 HB2 LEU 926 HB2 LEU 926 0.296 -11.993 -2.359 274 HB3 LEU 926 HB1 LEU 926 -0.877 -13.142 -2.960 275 HG LEU 926 HG LEU 926 -2.247 -12.631 -0.875 276 HD11 LEU 926 HD11 LEU 926 -0.484 -11.592 0.444 277 HD12 LEU 926 HD12 LEU 926 -1.837 -10.488 0.200 278 HD13 LEU 926 HD13 LEU 926 -0.356 -10.289 -0.739 279 HD21 LEU 926 HD21 LEU 926 -3.178 -10.594 -1.855 280 HD22 LEU 926 HD22 LEU 926 -2.833 -11.809 -3.087 281 HD23 LEU 926 HD23 LEU 926 -1.749 -10.434 -2.876 282 H ASP 927 HN ASP 927 2.541 -13.068 -1.848 283 HA ASP 927 HA ASP 927 3.566 -13.032 0.867 284 HB2 ASP 927 HB2 ASP 927 5.749 -12.727 -0.216 285 HB3 ASP 927 HB1 ASP 927 4.878 -14.086 -0.922 286 H LEU 928 HN LEU 928 4.339 -11.265 1.935 287 HA LEU 928 HA LEU 928 3.859 -8.633 0.722 288 HB2 LEU 928 HB2 LEU 928 2.739 -8.975 2.860 289 HB3 LEU 928 HB1 LEU 928 4.247 -9.468 3.601 290 HG LEU 928 HG LEU 928 5.133 -7.180 3.285 291 HD11 LEU 928 HD11 LEU 928 2.344 -6.558 2.320 292 HD12 LEU 928 HD12 LEU 928 3.816 -6.519 1.350 293 HD13 LEU 928 HD13 LEU 928 3.602 -5.372 2.672 294 HD21 LEU 928 HD21 LEU 928 4.068 -7.826 5.387 295 HD22 LEU 928 HD22 LEU 928 2.504 -7.310 4.756 296 HD23 LEU 928 HD23 LEU 928 3.783 -6.126 5.018 297 HA PRO 929 HA PRO 929 8.357 -8.444 0.622 298 HB2 PRO 929 HB2 PRO 929 8.214 -6.131 -1.025 299 HB3 PRO 929 HB1 PRO 929 8.525 -7.788 -1.538 300 HG2 PRO 929 HG2 PRO 929 6.262 -6.285 -2.163 301 HG3 PRO 929 HG1 PRO 929 6.414 -8.043 -2.318 302 HD2 PRO 929 HD2 PRO 929 5.113 -6.427 -0.178 303 HD3 PRO 929 HD1 PRO 929 4.664 -8.018 -0.831 304 HA PRO 930 HA PRO 930 9.025 -5.346 3.826 305 HB2 PRO 930 HB2 PRO 930 11.706 -4.945 3.094 306 HB3 PRO 930 HB1 PRO 930 11.122 -6.084 4.309 307 HG2 PRO 930 HG2 PRO 930 11.876 -6.562 1.466 308 HG3 PRO 930 HG1 PRO 930 12.083 -7.614 2.879 309 HD2 PRO 930 HD2 PRO 930 10.166 -8.080 1.068 310 HD3 PRO 930 HD1 PRO 930 9.885 -8.361 2.799 311 H TYR 931 HN TYR 931 8.615 -3.189 3.674 312 HA TYR 931 HA TYR 931 8.070 -2.205 1.088 313 HB2 TYR 931 HB2 TYR 931 6.707 -1.546 2.988 314 HB3 TYR 931 HB1 TYR 931 8.088 -0.776 3.752 315 HD1 TYR 931 HD2 TYR 931 6.937 -0.549 0.204 316 HD2 TYR 931 HD1 TYR 931 7.495 1.477 3.899 317 HE1 TYR 931 HE2 TYR 931 6.357 1.575 -0.876 318 HE2 TYR 931 HE1 TYR 931 6.909 3.603 2.833 319 HH TYR 931 HH TYR 931 5.519 3.774 -0.272 320 H GLU 932 HN GLU 932 9.439 -1.522 -0.297 321 HA GLU 932 HA GLU 932 11.617 0.287 0.504 322 HB2 GLU 932 HB2 GLU 932 12.236 -1.698 -0.902 323 HB3 GLU 932 HB1 GLU 932 11.125 -1.129 -2.141 324 HG2 GLU 932 HG2 GLU 932 12.490 0.983 -2.227 325 HG3 GLU 932 HG1 GLU 932 13.673 0.159 -1.211 326 H THR 933 HN THR 933 11.385 2.473 -0.173 327 HA THR 933 HA THR 933 8.771 3.296 -0.699 328 HB THR 933 HB THR 933 11.231 4.935 -1.327 329 HG1 THR 933 HG1 THR 933 9.807 4.520 1.113 330 HG21 THR 933 HG21 THR 933 8.379 5.675 -0.616 331 HG22 THR 933 HG22 THR 933 9.145 5.873 -2.191 332 HG23 THR 933 HG23 THR 933 9.706 6.821 -0.813 333 H PHE 934 HN PHE 934 7.622 3.141 -2.365 334 HA PHE 934 HA PHE 934 8.662 2.653 -5.013 335 HB2 PHE 934 HB2 PHE 934 6.434 2.064 -5.588 336 HB3 PHE 934 HB1 PHE 934 6.623 1.496 -3.932 337 HD1 PHE 934 HD2 PHE 934 6.152 3.650 -2.225 338 HD2 PHE 934 HD1 PHE 934 4.330 2.855 -5.979 339 HE1 PHE 934 HE2 PHE 934 4.249 5.060 -1.596 340 HE2 PHE 934 HE1 PHE 934 2.434 4.277 -5.360 341 HZ PHE 934 HZ PHE 934 2.412 5.383 -3.180 342 H GLU 935 HN GLU 935 7.105 3.960 -6.748 343 HA GLU 935 HA GLU 935 8.235 6.466 -6.949 344 HB2 GLU 935 HB2 GLU 935 6.167 7.004 -8.421 345 HB3 GLU 935 HB1 GLU 935 7.278 5.743 -8.925 346 HG2 GLU 935 HG2 GLU 935 4.853 5.011 -7.322 347 HG3 GLU 935 HG1 GLU 935 4.708 5.372 -9.047 348 H ASP 936 HN ASP 936 7.703 8.519 -6.453 349 HA ASP 936 HA ASP 936 6.645 9.005 -3.954 350 HB2 ASP 936 HB2 ASP 936 7.145 10.836 -6.285 351 HB3 ASP 936 HB1 ASP 936 6.496 11.443 -4.764 352 H LEU 937 HN LEU 937 4.767 9.380 -3.108 353 HA LEU 937 HA LEU 937 2.383 8.926 -4.535 354 HB2 LEU 937 HB2 LEU 937 1.218 9.398 -2.462 355 HB3 LEU 937 HB1 LEU 937 2.563 8.322 -2.201 356 HG LEU 937 HG LEU 937 2.475 9.723 -0.324 357 HD11 LEU 937 HD11 LEU 937 4.535 11.028 -0.350 358 HD12 LEU 937 HD12 LEU 937 4.616 10.849 -2.102 359 HD13 LEU 937 HD13 LEU 937 4.739 9.429 -1.064 360 HD21 LEU 937 HD21 LEU 937 0.997 11.437 -1.161 361 HD22 LEU 937 HD22 LEU 937 2.298 12.109 -2.144 362 HD23 LEU 937 HD23 LEU 937 2.406 12.157 -0.384 363 HN1 NH2 938 H1 LEU 937 0.846 10.254 -5.295 364 HN2 NH2 938 H2 LEU 937 1.049 11.963 -5.466 Start of MODEL 9 1 H PHE 478 HT1 PHE 478 -12.229 9.273 -2.911 2 HA PHE 478 HA PHE 478 -12.612 7.633 -1.141 3 HB2 PHE 478 HB2 PHE 478 -12.042 5.655 -2.512 4 HB3 PHE 478 HB1 PHE 478 -12.782 6.932 -3.460 5 HD1 PHE 478 HD2 PHE 478 -9.706 5.055 -2.826 6 HD2 PHE 478 HD1 PHE 478 -11.526 8.121 -5.153 7 HE1 PHE 478 HE2 PHE 478 -7.826 4.964 -4.413 8 HE2 PHE 478 HE1 PHE 478 -9.652 8.030 -6.743 9 HZ PHE 478 HZ PHE 478 -7.798 6.453 -6.374 10 H LEU 479 HN LEU 479 -9.360 8.591 -1.577 11 HA LEU 479 HA LEU 479 -8.416 6.407 0.155 12 HB2 LEU 479 HB2 LEU 479 -7.509 6.910 -2.264 13 HB3 LEU 479 HB1 LEU 479 -6.597 8.160 -1.444 14 HG LEU 479 HG LEU 479 -5.583 6.408 0.019 15 HD11 LEU 479 HD11 LEU 479 -7.114 4.577 -1.842 16 HD12 LEU 479 HD12 LEU 479 -7.276 4.695 -0.086 17 HD13 LEU 479 HD13 LEU 479 -5.792 4.045 -0.799 18 HD21 LEU 479 HD21 LEU 479 -5.277 6.038 -2.964 19 HD22 LEU 479 HD22 LEU 479 -4.132 5.491 -1.740 20 HD23 LEU 479 HD23 LEU 479 -4.427 7.217 -1.965 21 HA PRO 480 HA PRO 480 -8.139 9.518 3.390 22 HB2 PRO 480 HB2 PRO 480 -6.343 7.344 4.369 23 HB3 PRO 480 HB1 PRO 480 -7.580 8.233 5.251 24 HG2 PRO 480 HG2 PRO 480 -8.109 5.797 4.458 25 HG3 PRO 480 HG1 PRO 480 -9.325 7.062 4.170 26 HD2 PRO 480 HD2 PRO 480 -7.349 5.862 2.253 27 HD3 PRO 480 HD1 PRO 480 -9.064 6.240 2.008 28 HA PRO 481 HA PRO 481 -4.809 12.195 2.608 29 HB2 PRO 481 HB2 PRO 481 -3.800 11.889 5.340 30 HB3 PRO 481 HB1 PRO 481 -4.461 13.312 4.537 31 HG2 PRO 481 HG2 PRO 481 -5.779 11.461 6.327 32 HG3 PRO 481 HG1 PRO 481 -6.388 12.984 5.663 33 HD2 PRO 481 HD2 PRO 481 -7.388 10.523 5.003 34 HD3 PRO 481 HD1 PRO 481 -7.462 11.938 3.933 35 H GLY 482 HN GLY 482 -3.372 9.961 5.036 36 HA2 GLY 482 HA2 GLY 482 -0.943 9.992 3.404 37 HA3 GLY 482 HA1 GLY 482 -1.052 9.445 5.060 38 H TRP 483 HN TRP 483 -3.545 8.172 3.194 39 HA TRP 483 HA TRP 483 -2.166 5.610 3.084 40 HB2 TRP 483 HB2 TRP 483 -5.047 6.386 2.616 41 HB3 TRP 483 HB1 TRP 483 -4.429 4.764 2.311 42 HD1 TRP 483 HD1 TRP 483 -4.750 7.255 5.232 43 HE1 TRP 483 HE1 TRP 483 -5.020 5.906 7.421 44 HE3 TRP 483 HE3 TRP 483 -4.206 2.549 3.340 45 HZ2 TRP 483 HZ2 TRP 483 -5.023 3.187 8.209 46 HZ3 TRP 483 HZ3 TRP 483 -4.351 0.632 4.867 47 HH2 TRP 483 HH2 TRP 483 -4.747 0.947 7.252 48 H GLU 484 HN GLU 484 -1.118 5.051 1.363 49 HA GLU 484 HA GLU 484 -1.779 6.285 -1.214 50 HB2 GLU 484 HB2 GLU 484 0.649 5.852 0.124 51 HB3 GLU 484 HB1 GLU 484 0.613 4.669 -1.172 52 HG2 GLU 484 HG2 GLU 484 1.725 6.685 -1.889 53 HG3 GLU 484 HG1 GLU 484 0.235 6.437 -2.784 54 H MET 485 HN MET 485 -2.295 4.985 -2.957 55 HA MET 485 HA MET 485 -2.538 2.095 -2.386 56 HB2 MET 485 HB2 MET 485 -4.744 3.303 -2.439 57 HB3 MET 485 HB1 MET 485 -4.417 3.742 -4.110 58 HG2 MET 485 HG2 MET 485 -4.181 1.238 -4.514 59 HG3 MET 485 HG1 MET 485 -4.946 1.034 -2.953 60 HE1 MET 485 HE1 MET 485 -7.445 1.616 -2.431 61 HE2 MET 485 HE2 MET 485 -8.493 2.521 -3.525 62 HE3 MET 485 HE3 MET 485 -7.090 3.303 -2.797 63 H ARG 486 HN ARG 486 -0.979 1.144 -3.548 64 HA ARG 486 HA ARG 486 -0.622 1.981 -6.354 65 HB2 ARG 486 HB2 ARG 486 1.547 1.103 -4.445 66 HB3 ARG 486 HB1 ARG 486 1.775 1.457 -6.148 67 HG2 ARG 486 HG2 ARG 486 0.822 3.458 -4.113 68 HG3 ARG 486 HG1 ARG 486 2.496 3.283 -4.645 69 HD2 ARG 486 HD2 ARG 486 0.149 3.923 -6.432 70 HD3 ARG 486 HD1 ARG 486 1.309 5.100 -5.816 71 HE ARG 486 HE ARG 486 2.970 3.491 -7.050 72 HH11 ARG 486 HH11 ARG 486 -0.176 4.607 -8.134 73 HH12 ARG 486 HH12 ARG 486 0.221 4.449 -9.819 74 HH21 ARG 486 HH21 ARG 486 3.500 3.306 -9.244 75 HH22 ARG 486 HH22 ARG 486 2.305 3.703 -10.456 76 H ILE 487 HN ILE 487 -0.513 0.365 -7.828 77 HA ILE 487 HA ILE 487 -1.032 -2.313 -6.761 78 HB ILE 487 HB ILE 487 -2.920 -1.556 -7.973 79 HG12 ILE 487 HG12 ILE 487 -1.364 -3.444 -9.755 80 HG13 ILE 487 HG11 ILE 487 -2.268 -3.915 -8.318 81 HG21 ILE 487 HG21 ILE 487 -1.075 -0.952 -10.272 82 HG22 ILE 487 HG22 ILE 487 -1.901 0.226 -9.249 83 HG23 ILE 487 HG23 ILE 487 -2.834 -0.837 -10.303 84 HD11 ILE 487 HD11 ILE 487 -4.334 -3.179 -9.373 85 HD12 ILE 487 HD12 ILE 487 -3.509 -4.391 -10.351 86 HD13 ILE 487 HD13 ILE 487 -3.435 -2.689 -10.808 87 H ALA 488 HN ALA 488 0.195 -3.919 -7.125 88 HA ALA 488 HA ALA 488 2.596 -3.595 -8.740 89 HB1 ALA 488 HB1 ALA 488 1.763 -5.835 -6.890 90 HB2 ALA 488 HB2 ALA 488 2.810 -4.480 -6.462 91 HB3 ALA 488 HB3 ALA 488 3.338 -5.661 -7.660 92 HA PRO 489 HA PRO 489 1.252 -5.653 -12.343 93 HB2 PRO 489 HB2 PRO 489 3.383 -7.336 -12.853 94 HB3 PRO 489 HB1 PRO 489 3.321 -5.620 -13.261 95 HG2 PRO 489 HG2 PRO 489 4.571 -6.962 -10.902 96 HG3 PRO 489 HG1 PRO 489 5.187 -5.622 -11.888 97 HD2 PRO 489 HD2 PRO 489 4.106 -5.175 -9.491 98 HD3 PRO 489 HD1 PRO 489 3.810 -4.064 -10.845 99 H ASN 490 HN ASN 490 1.608 -7.467 -9.511 100 HA ASN 490 HA ASN 490 0.692 -9.925 -10.795 101 HB2 ASN 490 HB2 ASN 490 0.816 -10.857 -8.416 102 HB3 ASN 490 HB1 ASN 490 2.337 -10.451 -9.198 103 HD21 ASN 490 HD21 ASN 490 3.315 -10.342 -7.165 104 HD22 ASN 490 HD22 ASN 490 3.090 -8.975 -6.134 105 H GLY 491 HN GLY 491 -0.672 -7.153 -9.731 106 HA2 GLY 491 HA2 GLY 491 -2.992 -6.840 -10.062 107 HA3 GLY 491 HA1 GLY 491 -3.255 -8.531 -9.687 108 H ARG 492 HN ARG 492 -1.417 -6.237 -7.719 109 HA ARG 492 HA ARG 492 -3.614 -6.258 -5.774 110 HB2 ARG 492 HB2 ARG 492 -2.066 -6.660 -3.931 111 HB3 ARG 492 HB1 ARG 492 -2.062 -8.002 -5.068 112 HG2 ARG 492 HG2 ARG 492 0.027 -7.260 -5.999 113 HG3 ARG 492 HG1 ARG 492 -0.006 -5.802 -5.007 114 HD2 ARG 492 HD2 ARG 492 0.141 -7.165 -2.991 115 HD3 ARG 492 HD1 ARG 492 0.152 -8.631 -3.973 116 HE ARG 492 HE ARG 492 2.241 -6.662 -4.472 117 HH11 ARG 492 HH11 ARG 492 1.313 -9.694 -3.009 118 HH12 ARG 492 HH12 ARG 492 2.945 -10.273 -2.869 119 HH21 ARG 492 HH21 ARG 492 4.394 -7.438 -4.320 120 HH22 ARG 492 HH22 ARG 492 4.689 -9.017 -3.656 121 HA PRO 493 HA PRO 493 -2.167 -2.019 -5.235 122 HB2 PRO 493 HB2 PRO 493 -4.679 -1.313 -4.155 123 HB3 PRO 493 HB1 PRO 493 -4.107 -1.001 -5.794 124 HG2 PRO 493 HG2 PRO 493 -6.202 -2.712 -5.089 125 HG3 PRO 493 HG1 PRO 493 -5.376 -2.668 -6.655 126 HD2 PRO 493 HD2 PRO 493 -4.989 -4.526 -4.356 127 HD3 PRO 493 HD1 PRO 493 -4.871 -4.841 -6.098 128 H PHE 494 HN PHE 494 -0.807 -2.110 -3.549 129 HA PHE 494 HA PHE 494 -1.800 -2.926 -0.940 130 HB2 PHE 494 HB2 PHE 494 0.624 -2.615 -0.242 131 HB3 PHE 494 HB1 PHE 494 0.302 -3.901 -1.391 132 HD1 PHE 494 HD1 PHE 494 1.616 -0.434 -1.105 133 HD2 PHE 494 HD2 PHE 494 1.418 -3.991 -3.435 134 HE1 PHE 494 HE1 PHE 494 3.410 0.440 -2.567 135 HE2 PHE 494 HE2 PHE 494 3.201 -3.139 -4.895 136 HZ PHE 494 HZ PHE 494 4.193 -0.924 -4.468 137 H PHE 495 HN PHE 495 -1.987 -1.627 0.800 138 HA PHE 495 HA PHE 495 -2.153 1.213 0.157 139 HB2 PHE 495 HB2 PHE 495 -3.150 -0.204 2.637 140 HB3 PHE 495 HB1 PHE 495 -3.534 1.426 2.119 141 HD1 PHE 495 HD1 PHE 495 -4.851 1.742 -0.005 142 HD2 PHE 495 HD2 PHE 495 -4.431 -2.024 1.931 143 HE1 PHE 495 HE1 PHE 495 -6.825 0.905 -1.214 144 HE2 PHE 495 HE2 PHE 495 -6.401 -2.870 0.730 145 HZ PHE 495 HZ PHE 495 -7.601 -1.404 -0.851 146 H ILE 496 HN ILE 496 -0.301 2.225 0.454 147 HA ILE 496 HA ILE 496 1.432 1.584 2.704 148 HB ILE 496 HB ILE 496 1.877 3.832 0.766 149 HG12 ILE 496 HG12 ILE 496 3.500 1.986 -0.269 150 HG13 ILE 496 HG11 ILE 496 2.230 0.911 0.311 151 HG21 ILE 496 HG21 ILE 496 4.226 3.458 1.343 152 HG22 ILE 496 HG22 ILE 496 3.742 2.148 2.421 153 HG23 ILE 496 HG23 ILE 496 3.241 3.804 2.765 154 HD11 ILE 496 HD11 ILE 496 1.847 3.232 -1.564 155 HD12 ILE 496 HD12 ILE 496 0.584 2.142 -0.993 156 HD13 ILE 496 HD13 ILE 496 1.884 1.528 -2.014 157 H ASP 497 HN ASP 497 0.578 2.416 4.598 158 HA ASP 497 HA ASP 497 -0.342 5.148 4.385 159 HB2 ASP 497 HB2 ASP 497 -1.767 4.512 5.837 160 HB3 ASP 497 HB1 ASP 497 -0.863 3.088 6.363 161 H HIS 498 HN HIS 498 0.567 6.706 4.821 162 HA HIS 498 HA HIS 498 3.440 6.485 5.052 163 HB2 HIS 498 HB2 HIS 498 1.618 8.707 4.180 164 HB3 HIS 498 HB1 HIS 498 3.347 8.971 4.427 165 HD1 HIS 498 HD1 HIS 498 4.985 7.627 2.887 166 HD2 HIS 498 HD2 HIS 498 0.963 7.279 1.829 167 HE1 HIS 498 HE1 HIS 498 4.963 6.531 0.623 168 HE2 HIS 498 HE2 HIS 498 2.549 6.655 -0.104 169 H ASN 499 HN ASN 499 0.965 7.072 7.221 170 HA ASN 499 HA ASN 499 2.433 8.850 8.945 171 HB2 ASN 499 HB2 ASN 499 0.051 7.080 9.567 172 HB3 ASN 499 HB1 ASN 499 0.694 8.333 10.622 173 HD21 ASN 499 HD21 ASN 499 -1.152 7.629 7.786 174 HD22 ASN 499 HD22 ASN 499 -1.779 9.233 7.550 175 H THR 500 HN THR 500 1.616 5.366 9.025 176 HA THR 500 HA THR 500 3.532 4.850 11.117 177 HB THR 500 HB THR 500 3.008 2.472 10.753 178 HG1 THR 500 HG1 THR 500 1.091 3.244 8.806 179 HG21 THR 500 HG21 THR 500 0.622 2.560 11.335 180 HG22 THR 500 HG22 THR 500 0.567 4.247 10.827 181 HG23 THR 500 HG23 THR 500 1.553 3.776 12.210 182 H LYS 501 HN LYS 501 3.746 5.390 7.856 183 HA LYS 501 HA LYS 501 5.232 5.086 6.201 184 HB2 LYS 501 HB2 LYS 501 7.502 5.196 6.656 185 HB3 LYS 501 HB1 LYS 501 6.793 5.912 8.091 186 HG2 LYS 501 HG2 LYS 501 7.329 4.080 9.420 187 HG3 LYS 501 HG1 LYS 501 7.532 3.010 8.034 188 HD2 LYS 501 HD2 LYS 501 9.326 5.373 8.396 189 HD3 LYS 501 HD1 LYS 501 9.629 3.888 9.292 190 HE2 LYS 501 HE2 LYS 501 10.953 3.867 7.291 191 HE3 LYS 501 HE1 LYS 501 9.674 2.665 7.131 192 HZ1 LYS 501 HZ1 LYS 501 10.079 4.075 5.128 193 HZ2 LYS 501 HZ2 LYS 501 9.486 5.404 6.002 194 HZ3 LYS 501 HZ3 LYS 501 8.480 4.079 5.686 195 H THR 502 HN THR 502 3.670 2.780 7.283 196 HA THR 502 HA THR 502 5.271 0.657 6.026 197 HB THR 502 HB THR 502 4.171 -1.005 7.518 198 HG1 THR 502 HG1 THR 502 2.932 1.301 8.466 199 HG21 THR 502 HG21 THR 502 5.532 -0.531 9.508 200 HG22 THR 502 HG22 THR 502 5.779 1.120 8.939 201 HG23 THR 502 HG23 THR 502 6.429 -0.239 8.020 202 H THR 503 HN THR 503 4.106 -0.892 4.835 203 HA THR 503 HA THR 503 1.505 0.099 3.927 204 HB THR 503 HB THR 503 3.137 -0.045 2.147 205 HG1 THR 503 HG1 THR 503 0.852 -0.843 1.861 206 HG21 THR 503 HG21 THR 503 3.407 -2.967 2.858 207 HG22 THR 503 HG22 THR 503 4.634 -1.722 3.089 208 HG23 THR 503 HG23 THR 503 4.136 -2.176 1.460 209 H THR 504 HN THR 504 -0.296 -1.115 4.009 210 HA THR 504 HA THR 504 -0.088 -3.638 5.474 211 HB THR 504 HB THR 504 -1.551 -2.004 6.523 212 HG1 THR 504 HG1 THR 504 -3.644 -3.439 5.979 213 HG21 THR 504 HG21 THR 504 -3.619 -1.251 5.446 214 HG22 THR 504 HG22 THR 504 -3.151 -2.082 3.963 215 HG23 THR 504 HG23 THR 504 -2.199 -0.716 4.546 216 H TRP 505 HN TRP 505 -0.901 -5.493 4.751 217 HA TRP 505 HA TRP 505 -1.536 -5.661 1.903 218 HB2 TRP 505 HB2 TRP 505 0.339 -7.007 2.873 219 HB3 TRP 505 HB1 TRP 505 -0.826 -7.838 3.889 220 HD1 TRP 505 HD1 TRP 505 -0.038 -10.136 2.804 221 HE1 TRP 505 HE1 TRP 505 -0.652 -11.297 0.605 222 HE3 TRP 505 HE3 TRP 505 -2.070 -6.154 0.301 223 HZ2 TRP 505 HZ2 TRP 505 -1.851 -10.639 -1.849 224 HZ3 TRP 505 HZ3 TRP 505 -2.926 -6.519 -1.981 225 HH2 TRP 505 HH2 TRP 505 -2.816 -8.718 -3.027 226 H GLU 506 HN GLU 506 -3.123 -5.324 4.743 227 HA GLU 506 HA GLU 506 -5.435 -6.853 3.772 228 HB2 GLU 506 HB2 GLU 506 -4.707 -6.177 6.623 229 HB3 GLU 506 HB1 GLU 506 -6.231 -6.901 6.134 230 HG2 GLU 506 HG2 GLU 506 -4.890 -8.788 5.155 231 HG3 GLU 506 HG1 GLU 506 -3.485 -8.099 5.967 232 H ASP 507 HN ASP 507 -7.132 -5.914 3.289 233 HA ASP 507 HA ASP 507 -7.170 -3.128 3.034 234 HB2 ASP 507 HB2 ASP 507 -8.210 -4.323 1.303 235 HB3 ASP 507 HB1 ASP 507 -9.117 -5.329 2.422 236 HA PRO 508 HA PRO 508 -8.817 -2.404 7.118 237 HB2 PRO 508 HB2 PRO 508 -8.726 0.335 6.945 238 HB3 PRO 508 HB1 PRO 508 -7.346 -0.678 7.363 239 HG2 PRO 508 HG2 PRO 508 -7.991 0.664 4.796 240 HG3 PRO 508 HG1 PRO 508 -6.420 0.318 5.530 241 HD2 PRO 508 HD2 PRO 508 -7.546 -1.117 3.463 242 HD3 PRO 508 HD1 PRO 508 -6.293 -1.724 4.556 243 H ARG 509 HN ARG 509 -9.870 0.287 5.088 244 HA ARG 509 HA ARG 509 -12.406 -0.474 4.396 245 HB2 ARG 509 HB2 ARG 509 -12.716 -0.690 6.910 246 HB3 ARG 509 HB1 ARG 509 -12.534 1.055 7.000 247 HG2 ARG 509 HG2 ARG 509 -14.858 0.594 7.019 248 HG3 ARG 509 HG1 ARG 509 -14.477 1.255 5.430 249 HD2 ARG 509 HD2 ARG 509 -14.769 -1.685 6.063 250 HD3 ARG 509 HD1 ARG 509 -16.020 -0.681 5.333 251 HE ARG 509 HE ARG 509 -14.537 -0.408 3.409 252 HH11 ARG 509 HH11 ARG 509 -13.943 -3.069 5.592 253 HH12 ARG 509 HH12 ARG 509 -12.935 -3.938 4.477 254 HH21 ARG 509 HH21 ARG 509 -13.210 -1.521 1.941 255 HH22 ARG 509 HH22 ARG 509 -12.489 -3.039 2.392 256 H1 ARG 925 HT1 ARG 925 -0.617 -19.056 -1.934 257 H2 ARG 925 HT2 ARG 925 1.048 -18.856 -2.151 258 H3 ARG 925 HT3 ARG 925 -0.036 -18.186 -3.267 259 HA ARG 925 HA ARG 925 -0.906 -16.708 -1.567 260 HB2 ARG 925 HB2 ARG 925 -0.301 -18.300 0.300 261 HB3 ARG 925 HB1 ARG 925 1.372 -17.807 0.108 262 HG2 ARG 925 HG2 ARG 925 -0.771 -15.796 0.706 263 HG3 ARG 925 HG1 ARG 925 -0.033 -16.756 1.986 264 HD2 ARG 925 HD2 ARG 925 1.327 -14.824 0.116 265 HD3 ARG 925 HD1 ARG 925 1.122 -14.664 1.859 266 HE ARG 925 HE ARG 925 2.594 -17.017 1.113 267 HH11 ARG 925 HH11 ARG 925 2.818 -13.612 1.888 268 HH12 ARG 925 HH12 ARG 925 4.539 -13.640 2.131 269 HH21 ARG 925 HH21 ARG 925 4.841 -17.076 1.473 270 HH22 ARG 925 HH22 ARG 925 5.689 -15.621 1.896 271 H LEU 926 HN LEU 926 -0.297 -14.838 -2.453 272 HA LEU 926 HA LEU 926 2.339 -14.529 -3.556 273 HB2 LEU 926 HB2 LEU 926 1.584 -12.394 -4.394 274 HB3 LEU 926 HB1 LEU 926 0.377 -13.619 -4.722 275 HG LEU 926 HG LEU 926 0.164 -11.680 -2.418 276 HD11 LEU 926 HD11 LEU 926 -1.373 -10.405 -3.826 277 HD12 LEU 926 HD12 LEU 926 -1.013 -11.466 -5.188 278 HD13 LEU 926 HD13 LEU 926 0.251 -10.437 -4.513 279 HD21 LEU 926 HD21 LEU 926 -1.200 -13.701 -2.211 280 HD22 LEU 926 HD22 LEU 926 -1.885 -13.411 -3.810 281 HD23 LEU 926 HD23 LEU 926 -2.207 -12.281 -2.494 282 H ASP 927 HN ASP 927 4.044 -13.624 -2.636 283 HA ASP 927 HA ASP 927 3.902 -13.114 0.171 284 HB2 ASP 927 HB2 ASP 927 5.823 -14.157 -1.311 285 HB3 ASP 927 HB1 ASP 927 6.350 -12.480 -1.414 286 H LEU 928 HN LEU 928 4.108 -11.247 1.274 287 HA LEU 928 HA LEU 928 3.691 -8.784 -0.236 288 HB2 LEU 928 HB2 LEU 928 2.151 -9.418 1.612 289 HB3 LEU 928 HB1 LEU 928 3.482 -9.337 2.736 290 HG LEU 928 HG LEU 928 1.889 -7.387 2.766 291 HD11 LEU 928 HD11 LEU 928 4.122 -7.205 3.726 292 HD12 LEU 928 HD12 LEU 928 3.605 -5.685 2.995 293 HD13 LEU 928 HD13 LEU 928 4.763 -6.719 2.156 294 HD21 LEU 928 HD21 LEU 928 2.144 -5.684 1.022 295 HD22 LEU 928 HD22 LEU 928 1.487 -7.194 0.390 296 HD23 LEU 928 HD23 LEU 928 3.179 -6.784 0.113 297 HA PRO 929 HA PRO 929 8.042 -8.077 0.268 298 HB2 PRO 929 HB2 PRO 929 7.702 -5.532 -1.047 299 HB3 PRO 929 HB1 PRO 929 8.397 -7.018 -1.691 300 HG2 PRO 929 HG2 PRO 929 6.020 -5.928 -2.542 301 HG3 PRO 929 HG1 PRO 929 6.443 -7.647 -2.679 302 HD2 PRO 929 HD2 PRO 929 4.704 -6.275 -0.681 303 HD3 PRO 929 HD1 PRO 929 4.512 -7.870 -1.440 304 HA PRO 930 HA PRO 930 8.354 -5.388 3.868 305 HB2 PRO 930 HB2 PRO 930 11.190 -5.358 2.951 306 HB3 PRO 930 HB1 PRO 930 10.531 -5.720 4.550 307 HG2 PRO 930 HG2 PRO 930 11.449 -7.669 2.988 308 HG3 PRO 930 HG1 PRO 930 9.998 -7.904 3.980 309 HD2 PRO 930 HD2 PRO 930 10.228 -7.403 1.044 310 HD3 PRO 930 HD1 PRO 930 9.097 -8.449 1.927 311 H TYR 931 HN TYR 931 8.310 -3.154 4.032 312 HA TYR 931 HA TYR 931 7.940 -1.804 1.570 313 HB2 TYR 931 HB2 TYR 931 6.652 -1.222 3.552 314 HB3 TYR 931 HB1 TYR 931 8.116 -0.730 4.391 315 HD1 TYR 931 HD2 TYR 931 6.354 0.078 1.173 316 HD2 TYR 931 HD1 TYR 931 8.463 1.546 4.571 317 HE1 TYR 931 HE2 TYR 931 6.017 2.379 0.386 318 HE2 TYR 931 HE1 TYR 931 8.121 3.843 3.790 319 HH TYR 931 HH TYR 931 7.694 5.029 1.679 320 H GLU 932 HN GLU 932 9.444 -1.158 0.277 321 HA GLU 932 HA GLU 932 11.783 0.288 1.331 322 HB2 GLU 932 HB2 GLU 932 11.293 -0.546 -1.540 323 HB3 GLU 932 HB1 GLU 932 12.789 0.055 -0.848 324 HG2 GLU 932 HG2 GLU 932 12.976 -2.006 0.474 325 HG3 GLU 932 HG1 GLU 932 11.506 -2.606 -0.296 326 H THR 933 HN THR 933 12.222 2.258 -0.419 327 HA THR 933 HA THR 933 9.607 3.527 -0.601 328 HB THR 933 HB THR 933 12.171 4.821 -1.490 329 HG1 THR 933 HG1 THR 933 11.511 4.010 0.986 330 HG21 THR 933 HG21 THR 933 10.890 6.865 -0.905 331 HG22 THR 933 HG22 THR 933 9.501 5.854 -0.489 332 HG23 THR 933 HG23 THR 933 10.084 5.911 -2.153 333 H PHE 934 HN PHE 934 8.443 3.329 -2.235 334 HA PHE 934 HA PHE 934 9.475 2.552 -4.834 335 HB2 PHE 934 HB2 PHE 934 7.195 2.058 -5.416 336 HB3 PHE 934 HB1 PHE 934 7.452 1.427 -3.792 337 HD1 PHE 934 HD2 PHE 934 6.545 2.670 -1.838 338 HD2 PHE 934 HD1 PHE 934 5.649 3.725 -5.844 339 HE1 PHE 934 HE2 PHE 934 4.701 4.089 -1.049 340 HE2 PHE 934 HE1 PHE 934 3.811 5.148 -5.073 341 HZ PHE 934 HZ PHE 934 3.366 5.340 -2.692 342 H GLU 935 HN GLU 935 7.881 3.787 -6.614 343 HA GLU 935 HA GLU 935 9.140 6.186 -7.084 344 HB2 GLU 935 HB2 GLU 935 7.233 6.660 -8.637 345 HB3 GLU 935 HB1 GLU 935 7.921 5.054 -8.825 346 HG2 GLU 935 HG2 GLU 935 5.595 5.335 -6.980 347 HG3 GLU 935 HG1 GLU 935 5.298 5.503 -8.720 348 H ASP 936 HN ASP 936 8.752 8.299 -6.723 349 HA ASP 936 HA ASP 936 7.761 9.178 -4.322 350 HB2 ASP 936 HB2 ASP 936 9.252 10.552 -5.597 351 HB3 ASP 936 HB1 ASP 936 8.106 10.663 -6.928 352 H LEU 937 HN LEU 937 5.852 9.507 -3.483 353 HA LEU 937 HA LEU 937 3.494 8.956 -4.974 354 HB2 LEU 937 HB2 LEU 937 2.288 9.165 -2.899 355 HB3 LEU 937 HB1 LEU 937 3.735 8.232 -2.646 356 HG LEU 937 HG LEU 937 3.503 9.511 -0.714 357 HD11 LEU 937 HD11 LEU 937 5.352 11.076 -0.651 358 HD12 LEU 937 HD12 LEU 937 5.427 11.073 -2.412 359 HD13 LEU 937 HD13 LEU 937 5.782 9.598 -1.511 360 HD21 LEU 937 HD21 LEU 937 2.934 11.918 -2.423 361 HD22 LEU 937 HD22 LEU 937 3.097 11.928 -0.666 362 HD23 LEU 937 HD23 LEU 937 1.783 11.028 -1.426 363 HN1 NH2 938 H1 LEU 937 2.128 10.274 -5.922 364 HN2 NH2 938 H2 LEU 937 2.217 11.999 -5.890 Start of MODEL 10 1 H PHE 478 HT1 PHE 478 -9.906 10.923 -0.375 2 HA PHE 478 HA PHE 478 -10.656 8.213 -1.289 3 HB2 PHE 478 HB2 PHE 478 -8.145 8.033 -1.694 4 HB3 PHE 478 HB1 PHE 478 -9.052 9.004 -2.836 5 HD1 PHE 478 HD1 PHE 478 -6.575 9.035 -0.152 6 HD2 PHE 478 HD2 PHE 478 -8.748 11.409 -2.934 7 HE1 PHE 478 HE1 PHE 478 -5.029 10.906 0.243 8 HE2 PHE 478 HE2 PHE 478 -7.207 13.285 -2.542 9 HZ PHE 478 HZ PHE 478 -5.343 13.035 -0.952 10 H LEU 479 HN LEU 479 -8.788 6.743 -0.395 11 HA LEU 479 HA LEU 479 -9.148 6.295 2.283 12 HB2 LEU 479 HB2 LEU 479 -7.253 4.785 2.154 13 HB3 LEU 479 HB1 LEU 479 -8.251 4.637 0.729 14 HG LEU 479 HG LEU 479 -5.549 5.995 0.892 15 HD11 LEU 479 HD11 LEU 479 -4.838 4.185 -0.581 16 HD12 LEU 479 HD12 LEU 479 -6.456 3.489 -0.517 17 HD13 LEU 479 HD13 LEU 479 -5.466 3.555 0.943 18 HD21 LEU 479 HD21 LEU 479 -5.682 6.242 -1.525 19 HD22 LEU 479 HD22 LEU 479 -6.975 7.144 -0.735 20 HD23 LEU 479 HD23 LEU 479 -7.325 5.600 -1.514 21 HA PRO 480 HA PRO 480 -7.458 9.239 4.997 22 HB2 PRO 480 HB2 PRO 480 -5.832 6.802 5.681 23 HB3 PRO 480 HB1 PRO 480 -6.428 8.046 6.774 24 HG2 PRO 480 HG2 PRO 480 -7.809 5.828 6.468 25 HG3 PRO 480 HG1 PRO 480 -8.662 7.385 6.468 26 HD2 PRO 480 HD2 PRO 480 -8.132 5.537 4.221 27 HD3 PRO 480 HD1 PRO 480 -9.393 6.765 4.400 28 HA PRO 481 HA PRO 481 -3.925 11.089 3.045 29 HB2 PRO 481 HB2 PRO 481 -3.558 12.173 5.801 30 HB3 PRO 481 HB1 PRO 481 -3.566 13.021 4.250 31 HG2 PRO 481 HG2 PRO 481 -5.675 13.140 5.862 32 HG3 PRO 481 HG1 PRO 481 -5.879 13.013 4.106 33 HD2 PRO 481 HD2 PRO 481 -6.240 10.933 6.212 34 HD3 PRO 481 HD1 PRO 481 -7.126 11.167 4.693 35 H GLY 482 HN GLY 482 -2.147 10.007 2.660 36 HA2 GLY 482 HA2 GLY 482 0.068 9.352 3.383 37 HA3 GLY 482 HA1 GLY 482 -0.627 8.868 4.916 38 H TRP 483 HN TRP 483 -2.959 7.792 3.229 39 HA TRP 483 HA TRP 483 -1.772 5.170 2.824 40 HB2 TRP 483 HB2 TRP 483 -4.615 6.179 2.858 41 HB3 TRP 483 HB1 TRP 483 -4.210 4.548 2.336 42 HD1 TRP 483 HD1 TRP 483 -4.024 6.778 5.500 43 HE1 TRP 483 HE1 TRP 483 -4.026 5.213 7.554 44 HE3 TRP 483 HE3 TRP 483 -3.800 2.273 3.099 45 HZ2 TRP 483 HZ2 TRP 483 -3.941 2.431 8.077 46 HZ3 TRP 483 HZ3 TRP 483 -3.755 0.213 4.440 47 HH2 TRP 483 HH2 TRP 483 -3.826 0.294 6.877 48 H GLU 484 HN GLU 484 -0.861 4.802 0.965 49 HA GLU 484 HA GLU 484 -1.914 6.088 -1.454 50 HB2 GLU 484 HB2 GLU 484 0.644 5.962 -0.492 51 HB3 GLU 484 HB1 GLU 484 0.621 4.599 -1.596 52 HG2 GLU 484 HG2 GLU 484 0.109 7.486 -2.227 53 HG3 GLU 484 HG1 GLU 484 1.432 6.471 -2.792 54 H MET 485 HN MET 485 -2.356 4.841 -3.270 55 HA MET 485 HA MET 485 -2.667 1.951 -2.760 56 HB2 MET 485 HB2 MET 485 -4.808 3.211 -2.441 57 HB3 MET 485 HB1 MET 485 -4.700 3.748 -4.110 58 HG2 MET 485 HG2 MET 485 -4.645 1.281 -4.712 59 HG3 MET 485 HG1 MET 485 -5.172 0.985 -3.061 60 HE1 MET 485 HE1 MET 485 -7.479 1.919 -2.061 61 HE2 MET 485 HE2 MET 485 -8.619 2.891 -2.992 62 HE3 MET 485 HE3 MET 485 -7.044 3.555 -2.556 63 H ARG 486 HN ARG 486 -1.101 1.197 -4.133 64 HA ARG 486 HA ARG 486 -1.388 1.828 -6.967 65 HB2 ARG 486 HB2 ARG 486 0.798 2.564 -7.322 66 HB3 ARG 486 HB1 ARG 486 0.322 3.383 -5.844 67 HG2 ARG 486 HG2 ARG 486 2.283 2.679 -5.060 68 HG3 ARG 486 HG1 ARG 486 1.485 1.114 -4.876 69 HD2 ARG 486 HD2 ARG 486 3.627 0.902 -6.051 70 HD3 ARG 486 HD1 ARG 486 2.273 0.436 -7.081 71 HE ARG 486 HE ARG 486 3.396 3.146 -7.269 72 HH11 ARG 486 HH11 ARG 486 2.766 0.029 -8.742 73 HH12 ARG 486 HH12 ARG 486 3.137 0.578 -10.349 74 HH21 ARG 486 HH21 ARG 486 3.854 3.858 -9.396 75 HH22 ARG 486 HH22 ARG 486 3.713 2.743 -10.713 76 H ILE 487 HN ILE 487 -0.331 0.286 -8.375 77 HA ILE 487 HA ILE 487 -0.680 -2.347 -7.143 78 HB ILE 487 HB ILE 487 -0.582 -1.540 -10.056 79 HG12 ILE 487 HG12 ILE 487 -2.887 -2.218 -8.221 80 HG13 ILE 487 HG11 ILE 487 -2.561 -0.665 -8.986 81 HG21 ILE 487 HG21 ILE 487 -1.456 -3.782 -10.523 82 HG22 ILE 487 HG22 ILE 487 -1.300 -4.195 -8.816 83 HG23 ILE 487 HG23 ILE 487 0.140 -3.846 -9.773 84 HD11 ILE 487 HD11 ILE 487 -3.211 -3.205 -10.461 85 HD12 ILE 487 HD12 ILE 487 -3.016 -1.595 -11.159 86 HD13 ILE 487 HD13 ILE 487 -4.370 -1.928 -10.079 87 H ALA 488 HN ALA 488 0.800 -3.984 -7.234 88 HA ALA 488 HA ALA 488 3.529 -3.376 -8.030 89 HB1 ALA 488 HB1 ALA 488 3.132 -4.596 -5.933 90 HB2 ALA 488 HB2 ALA 488 4.069 -5.562 -7.071 91 HB3 ALA 488 HB3 ALA 488 2.352 -5.893 -6.840 92 HA PRO 489 HA PRO 489 3.371 -4.887 -12.133 93 HB2 PRO 489 HB2 PRO 489 5.730 -6.596 -11.506 94 HB3 PRO 489 HB1 PRO 489 5.506 -5.407 -12.794 95 HG2 PRO 489 HG2 PRO 489 7.000 -4.826 -10.677 96 HG3 PRO 489 HG1 PRO 489 5.922 -3.607 -11.382 97 HD2 PRO 489 HD2 PRO 489 5.577 -5.240 -8.903 98 HD3 PRO 489 HD1 PRO 489 5.141 -3.547 -9.208 99 H ASN 490 HN ASN 490 3.189 -7.127 -9.551 100 HA ASN 490 HA ASN 490 2.654 -9.414 -11.259 101 HB2 ASN 490 HB2 ASN 490 3.924 -9.707 -9.170 102 HB3 ASN 490 HB1 ASN 490 2.553 -9.113 -8.244 103 HD21 ASN 490 HD21 ASN 490 3.748 -11.744 -10.222 104 HD22 ASN 490 HD22 ASN 490 2.626 -12.931 -9.644 105 H GLY 491 HN GLY 491 0.888 -6.767 -10.401 106 HA2 GLY 491 HA2 GLY 491 -1.407 -6.453 -10.789 107 HA3 GLY 491 HA1 GLY 491 -1.636 -8.197 -10.735 108 H ARG 492 HN ARG 492 0.033 -6.198 -8.376 109 HA ARG 492 HA ARG 492 -1.873 -7.170 -6.342 110 HB2 ARG 492 HB2 ARG 492 0.936 -6.288 -5.748 111 HB3 ARG 492 HB1 ARG 492 -0.114 -7.313 -4.787 112 HG2 ARG 492 HG2 ARG 492 0.954 -8.168 -7.451 113 HG3 ARG 492 HG1 ARG 492 1.856 -8.398 -5.955 114 HD2 ARG 492 HD2 ARG 492 0.692 -10.427 -6.408 115 HD3 ARG 492 HD1 ARG 492 -0.095 -9.650 -5.040 116 HE ARG 492 HE ARG 492 -1.575 -8.811 -7.143 117 HH11 ARG 492 HH11 ARG 492 -0.455 -11.958 -6.142 118 HH12 ARG 492 HH12 ARG 492 -1.862 -12.800 -6.711 119 HH21 ARG 492 HH21 ARG 492 -3.434 -9.901 -7.935 120 HH22 ARG 492 HH22 ARG 492 -3.552 -11.621 -7.749 121 HA PRO 493 HA PRO 493 -2.205 -2.694 -5.791 122 HB2 PRO 493 HB2 PRO 493 -4.826 -2.725 -4.986 123 HB3 PRO 493 HB1 PRO 493 -4.307 -2.661 -6.670 124 HG2 PRO 493 HG2 PRO 493 -5.602 -4.832 -5.247 125 HG3 PRO 493 HG1 PRO 493 -5.278 -4.676 -6.978 126 HD2 PRO 493 HD2 PRO 493 -3.821 -6.198 -4.960 127 HD3 PRO 493 HD1 PRO 493 -3.684 -6.264 -6.728 128 H PHE 494 HN PHE 494 -1.084 -2.161 -3.990 129 HA PHE 494 HA PHE 494 -2.099 -3.189 -1.435 130 HB2 PHE 494 HB2 PHE 494 0.228 -2.695 -0.557 131 HB3 PHE 494 HB1 PHE 494 0.073 -4.049 -1.661 132 HD1 PHE 494 HD1 PHE 494 0.650 -0.356 -2.037 133 HD2 PHE 494 HD2 PHE 494 1.879 -4.312 -2.995 134 HE1 PHE 494 HE1 PHE 494 2.504 0.561 -3.389 135 HE2 PHE 494 HE2 PHE 494 3.718 -3.413 -4.361 136 HZ PHE 494 HZ PHE 494 4.030 -0.980 -4.560 137 H PHE 495 HN PHE 495 -2.303 -1.877 0.309 138 HA PHE 495 HA PHE 495 -2.391 0.989 -0.246 139 HB2 PHE 495 HB2 PHE 495 -3.402 -0.424 2.227 140 HB3 PHE 495 HB1 PHE 495 -3.813 1.191 1.667 141 HD1 PHE 495 HD2 PHE 495 -5.033 1.343 -0.606 142 HD2 PHE 495 HD1 PHE 495 -4.786 -2.206 1.728 143 HE1 PHE 495 HE2 PHE 495 -6.997 0.438 -1.778 144 HE2 PHE 495 HE1 PHE 495 -6.745 -3.120 0.557 145 HZ PHE 495 HZ PHE 495 -7.856 -1.795 -1.197 146 H ILE 496 HN ILE 496 -0.348 1.749 0.014 147 HA ILE 496 HA ILE 496 1.202 0.958 2.365 148 HB ILE 496 HB ILE 496 1.924 2.793 0.071 149 HG12 ILE 496 HG12 ILE 496 2.846 0.003 0.782 150 HG13 ILE 496 HG11 ILE 496 1.851 0.457 -0.597 151 HG21 ILE 496 HG21 ILE 496 4.192 2.783 1.014 152 HG22 ILE 496 HG22 ILE 496 3.603 1.871 2.404 153 HG23 ILE 496 HG23 ILE 496 3.022 3.511 2.114 154 HD11 ILE 496 HD11 ILE 496 4.148 0.046 -1.261 155 HD12 ILE 496 HD12 ILE 496 4.706 1.288 -0.140 156 HD13 ILE 496 HD13 ILE 496 3.707 1.733 -1.524 157 H ASP 497 HN ASP 497 0.605 2.003 4.198 158 HA ASP 497 HA ASP 497 -0.044 4.823 3.947 159 HB2 ASP 497 HB2 ASP 497 -1.243 4.647 5.780 160 HB3 ASP 497 HB1 ASP 497 -0.994 2.906 5.707 161 H HIS 498 HN HIS 498 1.215 6.353 4.347 162 HA HIS 498 HA HIS 498 4.018 5.699 4.463 163 HB2 HIS 498 HB2 HIS 498 2.547 8.267 3.901 164 HB3 HIS 498 HB1 HIS 498 4.304 8.175 3.993 165 HD1 HIS 498 HD1 HIS 498 5.518 7.388 1.937 166 HD2 HIS 498 HD2 HIS 498 1.420 6.685 1.724 167 HE1 HIS 498 HE1 HIS 498 5.090 6.596 -0.408 168 HE2 HIS 498 HE2 HIS 498 2.589 6.330 -0.557 169 H ASN 499 HN ASN 499 1.761 6.431 6.822 170 HA ASN 499 HA ASN 499 3.440 8.188 8.401 171 HB2 ASN 499 HB2 ASN 499 0.991 6.633 9.261 172 HB3 ASN 499 HB1 ASN 499 1.706 8.000 10.098 173 HD21 ASN 499 HD21 ASN 499 -0.295 6.931 7.515 174 HD22 ASN 499 HD22 ASN 499 -0.883 8.490 7.027 175 H THR 500 HN THR 500 2.165 4.898 8.709 176 HA THR 500 HA THR 500 4.121 4.220 10.697 177 HB THR 500 HB THR 500 2.734 1.964 9.469 178 HG1 THR 500 HG1 THR 500 0.960 3.190 9.156 179 HG21 THR 500 HG21 THR 500 2.751 3.186 12.227 180 HG22 THR 500 HG22 THR 500 3.857 1.933 11.655 181 HG23 THR 500 HG23 THR 500 2.134 1.584 11.814 182 H LYS 501 HN LYS 501 3.900 4.145 7.288 183 HA LYS 501 HA LYS 501 5.402 3.664 5.651 184 HB2 LYS 501 HB2 LYS 501 7.275 2.842 7.881 185 HB3 LYS 501 HB1 LYS 501 7.716 3.041 6.191 186 HG2 LYS 501 HG2 LYS 501 7.152 5.424 6.339 187 HG3 LYS 501 HG1 LYS 501 6.761 5.211 8.046 188 HD2 LYS 501 HD2 LYS 501 9.449 4.768 6.749 189 HD3 LYS 501 HD1 LYS 501 9.004 6.110 7.803 190 HE2 LYS 501 HE2 LYS 501 9.107 3.194 8.577 191 HE3 LYS 501 HE1 LYS 501 10.290 4.425 9.014 192 HZ1 LYS 501 HZ1 LYS 501 8.722 3.964 10.809 193 HZ2 LYS 501 HZ2 LYS 501 7.434 4.441 9.821 194 HZ3 LYS 501 HZ3 LYS 501 8.603 5.572 10.287 195 H THR 502 HN THR 502 3.432 1.870 6.278 196 HA THR 502 HA THR 502 4.771 -0.723 5.911 197 HB THR 502 HB THR 502 3.775 -0.629 8.134 198 HG1 THR 502 HG1 THR 502 3.184 -2.637 7.935 199 HG21 THR 502 HG21 THR 502 1.992 0.983 7.720 200 HG22 THR 502 HG22 THR 502 1.347 -0.496 8.430 201 HG23 THR 502 HG23 THR 502 1.158 -0.193 6.704 202 H THR 503 HN THR 503 3.770 -2.223 4.584 203 HA THR 503 HA THR 503 1.901 -1.072 2.627 204 HB THR 503 HB THR 503 3.460 -3.628 2.242 205 HG1 THR 503 HG1 THR 503 4.447 -1.124 2.469 206 HG21 THR 503 HG21 THR 503 3.219 -3.072 -0.116 207 HG22 THR 503 HG22 THR 503 2.371 -1.586 0.313 208 HG23 THR 503 HG23 THR 503 1.644 -3.151 0.675 209 H THR 504 HN THR 504 -0.147 -1.813 2.591 210 HA THR 504 HA THR 504 -0.742 -4.123 4.321 211 HB THR 504 HB THR 504 -2.672 -1.884 3.743 212 HG1 THR 504 HG1 THR 504 -1.041 -0.758 4.670 213 HG21 THR 504 HG21 THR 504 -3.603 -3.871 4.787 214 HG22 THR 504 HG22 THR 504 -3.572 -2.542 5.948 215 HG23 THR 504 HG23 THR 504 -2.362 -3.823 6.039 216 H TRP 505 HN TRP 505 -1.655 -5.836 3.347 217 HA TRP 505 HA TRP 505 -2.851 -5.613 0.715 218 HB2 TRP 505 HB2 TRP 505 -2.515 -7.975 2.576 219 HB3 TRP 505 HB1 TRP 505 -3.281 -8.075 0.996 220 HD1 TRP 505 HD1 TRP 505 -0.206 -9.026 2.425 221 HE1 TRP 505 HE1 TRP 505 1.745 -8.981 0.743 222 HE3 TRP 505 HE3 TRP 505 -2.325 -6.114 -1.207 223 HZ2 TRP 505 HZ2 TRP 505 2.315 -7.848 -1.768 224 HZ3 TRP 505 HZ3 TRP 505 -1.005 -5.595 -3.216 225 HH2 TRP 505 HH2 TRP 505 1.267 -6.445 -3.489 226 H GLU 506 HN GLU 506 -3.819 -5.616 3.991 227 HA GLU 506 HA GLU 506 -6.558 -6.390 3.457 228 HB2 GLU 506 HB2 GLU 506 -5.271 -5.426 6.017 229 HB3 GLU 506 HB1 GLU 506 -6.886 -6.106 5.873 230 HG2 GLU 506 HG2 GLU 506 -4.299 -7.550 5.341 231 HG3 GLU 506 HG1 GLU 506 -5.330 -7.736 6.761 232 H ASP 507 HN ASP 507 -8.259 -5.169 3.350 233 HA ASP 507 HA ASP 507 -7.784 -2.460 2.735 234 HB2 ASP 507 HB2 ASP 507 -10.242 -2.347 2.334 235 HB3 ASP 507 HB1 ASP 507 -9.448 -3.652 1.460 236 HA PRO 508 HA PRO 508 -8.294 -1.072 6.929 237 HB2 PRO 508 HB2 PRO 508 -7.931 1.565 6.486 238 HB3 PRO 508 HB1 PRO 508 -6.597 0.405 6.443 239 HG2 PRO 508 HG2 PRO 508 -8.127 1.618 4.174 240 HG3 PRO 508 HG1 PRO 508 -6.382 1.341 4.327 241 HD2 PRO 508 HD2 PRO 508 -8.038 -0.302 2.915 242 HD3 PRO 508 HD1 PRO 508 -6.549 -0.863 3.703 243 H ARG 509 HN ARG 509 -10.288 -0.269 4.275 244 HA ARG 509 HA ARG 509 -12.596 -0.060 5.869 245 HB2 ARG 509 HB2 ARG 509 -13.264 2.273 5.128 246 HB3 ARG 509 HB1 ARG 509 -12.044 2.185 6.385 247 HG2 ARG 509 HG2 ARG 509 -11.001 2.342 3.642 248 HG3 ARG 509 HG1 ARG 509 -11.882 3.762 4.208 249 HD2 ARG 509 HD2 ARG 509 -9.580 2.445 5.647 250 HD3 ARG 509 HD1 ARG 509 -9.466 3.905 4.664 251 HE ARG 509 HE ARG 509 -11.363 4.568 6.451 252 HH11 ARG 509 HH11 ARG 509 -8.190 3.153 6.870 253 HH12 ARG 509 HH12 ARG 509 -7.910 3.902 8.411 254 HH21 ARG 509 HH21 ARG 509 -11.016 5.557 8.461 255 HH22 ARG 509 HH22 ARG 509 -9.517 5.295 9.314 256 H1 ARG 925 HT1 ARG 925 -2.236 -17.761 -0.391 257 H2 ARG 925 HT2 ARG 925 -1.339 -19.137 0.040 258 H3 ARG 925 HT3 ARG 925 -0.796 -18.123 -1.202 259 HA ARG 925 HA ARG 925 -1.089 -17.309 1.624 260 HB2 ARG 925 HB2 ARG 925 1.360 -17.386 1.738 261 HB3 ARG 925 HB1 ARG 925 0.689 -18.972 1.399 262 HG2 ARG 925 HG2 ARG 925 1.416 -18.926 -0.831 263 HG3 ARG 925 HG1 ARG 925 1.719 -17.187 -0.782 264 HD2 ARG 925 HD2 ARG 925 3.242 -19.286 0.765 265 HD3 ARG 925 HD1 ARG 925 3.804 -18.482 -0.702 266 HE ARG 925 HE ARG 925 3.101 -16.683 1.445 267 HH11 ARG 925 HH11 ARG 925 5.699 -18.596 0.050 268 HH12 ARG 925 HH12 ARG 925 6.949 -17.608 0.748 269 HH21 ARG 925 HH21 ARG 925 4.734 -15.408 2.339 270 HH22 ARG 925 HH22 ARG 925 6.402 -15.800 2.044 271 H LEU 926 HN LEU 926 -0.913 -15.173 1.960 272 HA LEU 926 HA LEU 926 -0.265 -13.476 -0.344 273 HB2 LEU 926 HB2 LEU 926 -1.559 -12.861 2.314 274 HB3 LEU 926 HB1 LEU 926 -1.074 -11.616 1.183 275 HG LEU 926 HG LEU 926 -3.398 -11.914 0.887 276 HD11 LEU 926 HD11 LEU 926 -2.185 -11.680 -1.196 277 HD12 LEU 926 HD12 LEU 926 -3.591 -12.721 -1.416 278 HD13 LEU 926 HD13 LEU 926 -1.980 -13.428 -1.296 279 HD21 LEU 926 HD21 LEU 926 -2.894 -14.878 0.659 280 HD22 LEU 926 HD22 LEU 926 -4.449 -14.077 0.430 281 HD23 LEU 926 HD23 LEU 926 -3.667 -14.052 2.011 282 H ASP 927 HN ASP 927 1.729 -12.691 -0.511 283 HA ASP 927 HA ASP 927 3.385 -12.610 1.920 284 HB2 ASP 927 HB2 ASP 927 5.336 -12.802 0.480 285 HB3 ASP 927 HB1 ASP 927 4.211 -14.108 0.134 286 H LEU 928 HN LEU 928 4.241 -10.753 2.608 287 HA LEU 928 HA LEU 928 3.598 -8.340 1.059 288 HB2 LEU 928 HB2 LEU 928 2.662 -8.701 3.406 289 HB3 LEU 928 HB1 LEU 928 4.301 -8.517 3.993 290 HG LEU 928 HG LEU 928 2.777 -6.492 4.155 291 HD11 LEU 928 HD11 LEU 928 5.381 -6.177 2.677 292 HD12 LEU 928 HD12 LEU 928 5.182 -6.306 4.425 293 HD13 LEU 928 HD13 LEU 928 4.536 -4.907 3.565 294 HD21 LEU 928 HD21 LEU 928 3.295 -6.396 1.189 295 HD22 LEU 928 HD22 LEU 928 2.557 -5.115 2.151 296 HD23 LEU 928 HD23 LEU 928 1.735 -6.665 1.969 297 HA PRO 929 HA PRO 929 8.046 -8.117 0.507 298 HB2 PRO 929 HB2 PRO 929 7.557 -5.786 -1.140 299 HB3 PRO 929 HB1 PRO 929 8.085 -7.393 -1.639 300 HG2 PRO 929 HG2 PRO 929 5.637 -6.346 -2.254 301 HG3 PRO 929 HG1 PRO 929 5.956 -8.084 -2.112 302 HD2 PRO 929 HD2 PRO 929 4.697 -6.218 -0.136 303 HD3 PRO 929 HD1 PRO 929 4.255 -7.888 -0.552 304 HA PRO 930 HA PRO 930 9.089 -5.056 3.630 305 HB2 PRO 930 HB2 PRO 930 11.633 -5.117 2.060 306 HB3 PRO 930 HB1 PRO 930 11.388 -5.219 3.809 307 HG2 PRO 930 HG2 PRO 930 11.955 -7.399 2.394 308 HG3 PRO 930 HG1 PRO 930 10.785 -7.460 3.726 309 HD2 PRO 930 HD2 PRO 930 10.313 -7.480 0.783 310 HD3 PRO 930 HD1 PRO 930 9.404 -8.282 2.079 311 H TYR 931 HN TYR 931 8.556 -2.975 3.518 312 HA TYR 931 HA TYR 931 7.879 -1.821 1.051 313 HB2 TYR 931 HB2 TYR 931 6.572 -1.168 2.871 314 HB3 TYR 931 HB1 TYR 931 7.969 -0.837 3.881 315 HD1 TYR 931 HD2 TYR 931 6.312 0.421 0.767 316 HD2 TYR 931 HD1 TYR 931 8.593 1.355 4.238 317 HE1 TYR 931 HE2 TYR 931 6.145 2.816 0.233 318 HE2 TYR 931 HE1 TYR 931 8.424 3.749 3.710 319 HH TYR 931 HH TYR 931 8.065 5.157 1.660 320 H GLU 932 HN GLU 932 9.207 -1.058 -0.409 321 HA GLU 932 HA GLU 932 11.294 0.845 0.421 322 HB2 GLU 932 HB2 GLU 932 10.835 -0.392 -2.309 323 HB3 GLU 932 HB1 GLU 932 12.175 0.649 -1.851 324 HG2 GLU 932 HG2 GLU 932 12.834 -1.115 -0.184 325 HG3 GLU 932 HG1 GLU 932 11.628 -2.160 -0.939 326 H THR 933 HN THR 933 11.120 3.019 -0.423 327 HA THR 933 HA THR 933 8.376 3.729 -0.899 328 HB THR 933 HB THR 933 10.711 5.629 -1.098 329 HG1 THR 933 HG1 THR 933 10.977 5.288 0.973 330 HG21 THR 933 HG21 THR 933 7.783 5.995 -0.411 331 HG22 THR 933 HG22 THR 933 8.560 6.466 -1.922 332 HG23 THR 933 HG23 THR 933 9.000 7.275 -0.417 333 H PHE 934 HN PHE 934 7.439 3.679 -2.748 334 HA PHE 934 HA PHE 934 8.879 3.776 -5.253 335 HB2 PHE 934 HB2 PHE 934 6.810 3.177 -6.286 336 HB3 PHE 934 HB1 PHE 934 6.881 2.250 -4.790 337 HD1 PHE 934 HD2 PHE 934 5.478 2.936 -2.849 338 HD2 PHE 934 HD1 PHE 934 5.188 4.782 -6.659 339 HE1 PHE 934 HE2 PHE 934 3.353 3.976 -2.184 340 HE2 PHE 934 HE1 PHE 934 3.068 5.824 -6.009 341 HZ PHE 934 HZ PHE 934 2.174 5.429 -3.777 342 H GLU 935 HN GLU 935 7.450 5.255 -6.960 343 HA GLU 935 HA GLU 935 8.284 7.863 -6.622 344 HB2 GLU 935 HB2 GLU 935 6.697 8.463 -8.410 345 HB3 GLU 935 HB1 GLU 935 7.653 7.037 -8.781 346 HG2 GLU 935 HG2 GLU 935 5.018 6.548 -7.514 347 HG3 GLU 935 HG1 GLU 935 5.011 7.198 -9.162 348 H ASP 936 HN ASP 936 6.694 9.717 -6.979 349 HA ASP 936 HA ASP 936 5.781 10.594 -4.555 350 HB2 ASP 936 HB2 ASP 936 4.771 11.418 -7.284 351 HB3 ASP 936 HB1 ASP 936 4.536 12.332 -5.798 352 H LEU 937 HN LEU 937 3.843 10.823 -3.534 353 HA LEU 937 HA LEU 937 2.026 8.675 -3.674 354 HB2 LEU 937 HB2 LEU 937 2.644 10.113 -1.668 355 HB3 LEU 937 HB1 LEU 937 1.574 11.334 -2.316 356 HG LEU 937 HG LEU 937 0.595 8.562 -1.651 357 HD11 LEU 937 HD11 LEU 937 -0.136 9.448 0.508 358 HD12 LEU 937 HD12 LEU 937 0.685 10.971 0.163 359 HD13 LEU 937 HD13 LEU 937 1.621 9.488 0.357 360 HD21 LEU 937 HD21 LEU 937 -0.811 11.227 -1.870 361 HD22 LEU 937 HD22 LEU 937 -1.569 9.688 -1.460 362 HD23 LEU 937 HD23 LEU 937 -0.869 9.927 -3.061 363 HN1 NH2 938 H1 LEU 937 0.882 8.458 -5.509 364 HN2 NH2 938 H2 LEU 937 -0.164 9.656 -6.183 Start of MODEL 11 1 H PHE 478 HT1 PHE 478 -11.561 7.961 -1.014 2 HA PHE 478 HA PHE 478 -12.973 5.844 0.498 3 HB2 PHE 478 HB2 PHE 478 -12.352 4.345 -1.351 4 HB3 PHE 478 HB1 PHE 478 -13.409 5.633 -1.901 5 HD1 PHE 478 HD2 PHE 478 -12.506 7.471 -3.287 6 HD2 PHE 478 HD1 PHE 478 -10.141 4.111 -2.178 7 HE1 PHE 478 HE2 PHE 478 -10.888 8.030 -5.054 8 HE2 PHE 478 HE1 PHE 478 -8.522 4.664 -3.945 9 HZ PHE 478 HZ PHE 478 -8.894 6.625 -5.385 10 H LEU 479 HN LEU 479 -10.042 7.466 -0.325 11 HA LEU 479 HA LEU 479 -8.480 5.357 1.007 12 HB2 LEU 479 HB2 LEU 479 -8.064 6.251 -1.458 13 HB3 LEU 479 HB1 LEU 479 -7.214 7.522 -0.604 14 HG LEU 479 HG LEU 479 -5.794 5.757 0.490 15 HD11 LEU 479 HD11 LEU 479 -7.276 3.844 0.243 16 HD12 LEU 479 HD12 LEU 479 -5.772 3.530 -0.632 17 HD13 LEU 479 HD13 LEU 479 -7.230 3.988 -1.515 18 HD21 LEU 479 HD21 LEU 479 -4.443 5.370 -1.528 19 HD22 LEU 479 HD22 LEU 479 -5.035 7.031 -1.460 20 HD23 LEU 479 HD23 LEU 479 -5.801 5.866 -2.538 21 HA PRO 480 HA PRO 480 -8.385 8.277 4.457 22 HB2 PRO 480 HB2 PRO 480 -6.271 6.263 5.091 23 HB3 PRO 480 HB1 PRO 480 -7.483 6.956 6.159 24 HG2 PRO 480 HG2 PRO 480 -7.855 4.541 5.241 25 HG3 PRO 480 HG1 PRO 480 -9.210 5.687 5.155 26 HD2 PRO 480 HD2 PRO 480 -7.331 4.813 2.987 27 HD3 PRO 480 HD1 PRO 480 -9.088 5.038 2.927 28 HA PRO 481 HA PRO 481 -5.512 11.480 3.956 29 HB2 PRO 481 HB2 PRO 481 -4.128 10.360 6.367 30 HB3 PRO 481 HB1 PRO 481 -4.495 12.043 5.969 31 HG2 PRO 481 HG2 PRO 481 -6.043 10.536 7.621 32 HG3 PRO 481 HG1 PRO 481 -6.674 11.864 6.635 33 HD2 PRO 481 HD2 PRO 481 -7.204 9.029 6.400 34 HD3 PRO 481 HD1 PRO 481 -7.935 10.371 5.502 35 H GLY 482 HN GLY 482 -3.122 9.401 5.523 36 HA2 GLY 482 HA2 GLY 482 -1.435 9.762 3.164 37 HA3 GLY 482 HA1 GLY 482 -0.870 9.264 4.742 38 H TRP 483 HN TRP 483 -3.652 7.732 3.401 39 HA TRP 483 HA TRP 483 -2.108 5.285 3.077 40 HB2 TRP 483 HB2 TRP 483 -5.063 5.879 3.052 41 HB3 TRP 483 HB1 TRP 483 -4.425 4.334 2.497 42 HD1 TRP 483 HD1 TRP 483 -4.565 6.506 5.646 43 HE1 TRP 483 HE1 TRP 483 -4.392 4.957 7.706 44 HE3 TRP 483 HE3 TRP 483 -3.721 2.092 3.245 45 HZ2 TRP 483 HZ2 TRP 483 -3.966 2.208 8.219 46 HZ3 TRP 483 HZ3 TRP 483 -3.446 0.043 4.578 47 HH2 TRP 483 HH2 TRP 483 -3.557 0.102 7.020 48 H GLU 484 HN GLU 484 -1.566 4.490 1.197 49 HA GLU 484 HA GLU 484 -2.724 5.710 -1.192 50 HB2 GLU 484 HB2 GLU 484 -0.591 5.350 -2.336 51 HB3 GLU 484 HB1 GLU 484 -0.522 6.517 -1.068 52 HG2 GLU 484 HG2 GLU 484 0.719 5.172 0.270 53 HG3 GLU 484 HG1 GLU 484 0.165 3.702 -0.509 54 H MET 485 HN MET 485 -2.679 4.557 -2.949 55 HA MET 485 HA MET 485 -2.974 1.648 -2.512 56 HB2 MET 485 HB2 MET 485 -5.181 2.864 -2.524 57 HB3 MET 485 HB1 MET 485 -4.840 3.367 -4.173 58 HG2 MET 485 HG2 MET 485 -4.647 0.916 -4.721 59 HG3 MET 485 HG1 MET 485 -5.340 0.595 -3.142 60 HE1 MET 485 HE1 MET 485 -7.805 1.198 -2.451 61 HE2 MET 485 HE2 MET 485 -8.898 2.160 -3.447 62 HE3 MET 485 HE3 MET 485 -7.448 2.897 -2.764 63 H ARG 486 HN ARG 486 -1.270 0.870 -3.648 64 HA ARG 486 HA ARG 486 -0.855 1.911 -6.378 65 HB2 ARG 486 HB2 ARG 486 1.227 1.257 -4.292 66 HB3 ARG 486 HB1 ARG 486 1.606 1.500 -5.994 67 HG2 ARG 486 HG2 ARG 486 0.267 3.538 -4.230 68 HG3 ARG 486 HG1 ARG 486 1.992 3.499 -4.597 69 HD2 ARG 486 HD2 ARG 486 -0.147 3.663 -6.710 70 HD3 ARG 486 HD1 ARG 486 0.609 5.083 -5.991 71 HE ARG 486 HE ARG 486 2.762 4.102 -6.844 72 HH11 ARG 486 HH11 ARG 486 -0.308 3.416 -8.410 73 HH12 ARG 486 HH12 ARG 486 0.406 3.205 -9.983 74 HH21 ARG 486 HH21 ARG 486 3.694 3.819 -8.913 75 HH22 ARG 486 HH22 ARG 486 2.681 3.396 -10.260 76 H ILE 487 HN ILE 487 0.002 0.483 -7.910 77 HA ILE 487 HA ILE 487 -0.718 -2.303 -7.376 78 HB ILE 487 HB ILE 487 -0.384 -0.795 -9.975 79 HG12 ILE 487 HG12 ILE 487 -2.433 -0.295 -8.670 80 HG13 ILE 487 HG11 ILE 487 -2.785 -1.079 -10.207 81 HG21 ILE 487 HG21 ILE 487 -1.194 -2.814 -11.095 82 HG22 ILE 487 HG22 ILE 487 -1.172 -3.675 -9.556 83 HG23 ILE 487 HG23 ILE 487 0.337 -3.103 -10.267 84 HD11 ILE 487 HD11 ILE 487 -4.176 -1.979 -8.448 85 HD12 ILE 487 HD12 ILE 487 -2.745 -2.399 -7.504 86 HD13 ILE 487 HD13 ILE 487 -3.060 -3.212 -9.038 87 H ALA 488 HN ALA 488 0.733 -3.886 -7.374 88 HA ALA 488 HA ALA 488 3.507 -3.382 -8.077 89 HB1 ALA 488 HB1 ALA 488 2.983 -4.652 -6.040 90 HB2 ALA 488 HB2 ALA 488 3.914 -5.619 -7.183 91 HB3 ALA 488 HB3 ALA 488 2.177 -5.877 -7.020 92 HA PRO 489 HA PRO 489 3.332 -4.724 -12.220 93 HB2 PRO 489 HB2 PRO 489 5.582 -6.290 -12.445 94 HB3 PRO 489 HB1 PRO 489 5.580 -4.524 -12.462 95 HG2 PRO 489 HG2 PRO 489 6.138 -6.398 -10.196 96 HG3 PRO 489 HG1 PRO 489 6.988 -4.910 -10.654 97 HD2 PRO 489 HD2 PRO 489 5.252 -4.929 -8.628 98 HD3 PRO 489 HD1 PRO 489 5.349 -3.542 -9.734 99 H ASN 490 HN ASN 490 2.994 -7.005 -9.777 100 HA ASN 490 HA ASN 490 2.530 -9.217 -11.641 101 HB2 ASN 490 HB2 ASN 490 3.908 -9.524 -9.540 102 HB3 ASN 490 HB1 ASN 490 2.438 -9.257 -8.614 103 HD21 ASN 490 HD21 ASN 490 4.088 -11.394 -10.828 104 HD22 ASN 490 HD22 ASN 490 3.115 -12.792 -10.504 105 H GLY 491 HN GLY 491 0.879 -6.646 -10.589 106 HA2 GLY 491 HA2 GLY 491 -1.396 -6.206 -10.889 107 HA3 GLY 491 HA1 GLY 491 -1.704 -7.936 -10.963 108 H ARG 492 HN ARG 492 0.073 -6.239 -8.446 109 HA ARG 492 HA ARG 492 -1.897 -7.274 -6.509 110 HB2 ARG 492 HB2 ARG 492 0.930 -6.659 -5.758 111 HB3 ARG 492 HB1 ARG 492 -0.180 -7.815 -5.044 112 HG2 ARG 492 HG2 ARG 492 0.928 -8.198 -7.799 113 HG3 ARG 492 HG1 ARG 492 1.818 -8.697 -6.363 114 HD2 ARG 492 HD2 ARG 492 0.579 -10.570 -7.300 115 HD3 ARG 492 HD1 ARG 492 -0.029 -10.152 -5.703 116 HE ARG 492 HE ARG 492 -1.788 -8.861 -7.112 117 HH11 ARG 492 HH11 ARG 492 -0.339 -11.911 -8.022 118 HH12 ARG 492 HH12 ARG 492 -1.768 -12.511 -8.804 119 HH21 ARG 492 HH21 ARG 492 -3.676 -9.641 -8.141 120 HH22 ARG 492 HH22 ARG 492 -3.678 -11.234 -8.839 121 HA PRO 493 HA PRO 493 -1.977 -2.852 -5.518 122 HB2 PRO 493 HB2 PRO 493 -4.521 -3.037 -4.353 123 HB3 PRO 493 HB1 PRO 493 -4.167 -2.592 -6.022 124 HG2 PRO 493 HG2 PRO 493 -5.489 -4.924 -5.130 125 HG3 PRO 493 HG1 PRO 493 -4.943 -4.577 -6.778 126 HD2 PRO 493 HD2 PRO 493 -3.681 -6.254 -4.676 127 HD3 PRO 493 HD1 PRO 493 -3.603 -6.398 -6.444 128 H PHE 494 HN PHE 494 -0.753 -2.301 -3.797 129 HA PHE 494 HA PHE 494 -1.569 -3.349 -1.175 130 HB2 PHE 494 HB2 PHE 494 0.760 -2.745 -0.404 131 HB3 PHE 494 HB1 PHE 494 0.636 -4.110 -1.497 132 HD1 PHE 494 HD1 PHE 494 1.410 -0.445 -1.479 133 HD2 PHE 494 HD2 PHE 494 2.007 -4.239 -3.316 134 HE1 PHE 494 HE1 PHE 494 3.201 0.519 -2.884 135 HE2 PHE 494 HE2 PHE 494 3.781 -3.292 -4.720 136 HZ PHE 494 HZ PHE 494 4.377 -0.908 -4.512 137 H PHE 495 HN PHE 495 -1.765 -2.018 0.544 138 HA PHE 495 HA PHE 495 -2.072 0.824 -0.082 139 HB2 PHE 495 HB2 PHE 495 -3.059 -0.718 2.330 140 HB3 PHE 495 HB1 PHE 495 -3.480 0.933 1.898 141 HD1 PHE 495 HD1 PHE 495 -4.924 1.368 -0.059 142 HD2 PHE 495 HD2 PHE 495 -4.159 -2.576 1.348 143 HE1 PHE 495 HE1 PHE 495 -6.867 0.546 -1.321 144 HE2 PHE 495 HE2 PHE 495 -6.101 -3.407 0.086 145 HZ PHE 495 HZ PHE 495 -7.459 -1.847 -1.250 146 H ILE 496 HN ILE 496 -0.416 2.084 0.465 147 HA ILE 496 HA ILE 496 1.206 1.355 2.811 148 HB ILE 496 HB ILE 496 1.877 3.431 0.717 149 HG12 ILE 496 HG12 ILE 496 2.688 0.527 0.911 150 HG13 ILE 496 HG11 ILE 496 1.968 1.365 -0.458 151 HG21 ILE 496 HG21 ILE 496 4.126 3.313 1.693 152 HG22 ILE 496 HG22 ILE 496 3.536 2.170 2.898 153 HG23 ILE 496 HG23 ILE 496 2.917 3.821 2.873 154 HD11 ILE 496 HD11 ILE 496 4.310 0.891 -0.844 155 HD12 ILE 496 HD12 ILE 496 4.743 1.820 0.593 156 HD13 ILE 496 HD13 ILE 496 4.006 2.627 -0.790 157 H ASP 497 HN ASP 497 0.572 2.353 4.659 158 HA ASP 497 HA ASP 497 -0.501 5.055 4.424 159 HB2 ASP 497 HB2 ASP 497 -1.200 4.965 6.612 160 HB3 ASP 497 HB1 ASP 497 -1.395 3.287 6.112 161 H HIS 498 HN HIS 498 0.696 6.732 4.552 162 HA HIS 498 HA HIS 498 3.528 6.297 4.765 163 HB2 HIS 498 HB2 HIS 498 1.848 8.586 3.827 164 HB3 HIS 498 HB1 HIS 498 3.582 8.787 4.100 165 HD1 HIS 498 HD1 HIS 498 5.197 7.449 2.610 166 HD2 HIS 498 HD2 HIS 498 1.168 7.000 1.582 167 HE1 HIS 498 HE1 HIS 498 5.186 6.187 0.435 168 HE2 HIS 498 HE2 HIS 498 2.769 6.175 -0.296 169 H ASN 499 HN ASN 499 1.215 7.131 7.029 170 HA ASN 499 HA ASN 499 2.890 9.014 8.423 171 HB2 ASN 499 HB2 ASN 499 1.163 9.028 10.168 172 HB3 ASN 499 HB1 ASN 499 0.473 9.291 8.572 173 HD21 ASN 499 HD21 ASN 499 -0.826 7.678 7.649 174 HD22 ASN 499 HD22 ASN 499 -1.477 6.385 8.591 175 H THR 500 HN THR 500 1.750 5.660 9.200 176 HA THR 500 HA THR 500 4.012 5.346 10.977 177 HB THR 500 HB THR 500 3.326 3.074 11.320 178 HG1 THR 500 HG1 THR 500 1.455 3.481 9.188 179 HG21 THR 500 HG21 THR 500 1.016 3.394 12.081 180 HG22 THR 500 HG22 THR 500 0.914 4.877 11.130 181 HG23 THR 500 HG23 THR 500 2.034 4.776 12.489 182 H LYS 501 HN LYS 501 3.506 5.308 7.720 183 HA LYS 501 HA LYS 501 4.642 4.827 5.865 184 HB2 LYS 501 HB2 LYS 501 6.971 4.953 5.810 185 HB3 LYS 501 HB1 LYS 501 6.510 5.942 7.182 186 HG2 LYS 501 HG2 LYS 501 7.314 4.375 8.721 187 HG3 LYS 501 HG1 LYS 501 7.375 3.091 7.512 188 HD2 LYS 501 HD2 LYS 501 9.178 4.235 6.356 189 HD3 LYS 501 HD1 LYS 501 9.093 5.570 7.506 190 HE2 LYS 501 HE2 LYS 501 9.672 2.726 8.299 191 HE3 LYS 501 HE1 LYS 501 10.932 3.897 7.906 192 HZ1 LYS 501 HZ1 LYS 501 10.556 3.775 10.290 193 HZ2 LYS 501 HZ2 LYS 501 8.924 4.184 10.084 194 HZ3 LYS 501 HZ3 LYS 501 10.135 5.307 9.698 195 H THR 502 HN THR 502 3.315 2.681 7.332 196 HA THR 502 HA THR 502 4.918 0.385 6.439 197 HB THR 502 HB THR 502 3.443 -1.046 7.743 198 HG1 THR 502 HG1 THR 502 1.870 1.235 7.857 199 HG21 THR 502 HG21 THR 502 4.026 -0.267 9.992 200 HG22 THR 502 HG22 THR 502 4.427 1.320 9.333 201 HG23 THR 502 HG23 THR 502 5.375 -0.093 8.870 202 H THR 503 HN THR 503 4.017 -1.191 5.071 203 HA THR 503 HA THR 503 1.567 -0.365 3.679 204 HB THR 503 HB THR 503 3.309 -0.040 2.108 205 HG1 THR 503 HG1 THR 503 1.694 -1.047 1.041 206 HG21 THR 503 HG21 THR 503 4.325 -2.815 2.715 207 HG22 THR 503 HG22 THR 503 5.072 -1.314 3.256 208 HG23 THR 503 HG23 THR 503 4.995 -1.685 1.532 209 H THR 504 HN THR 504 0.133 -2.002 3.039 210 HA THR 504 HA THR 504 0.693 -4.740 3.817 211 HB THR 504 HB THR 504 -0.153 -3.817 5.906 212 HG1 THR 504 HG1 THR 504 -1.794 -5.327 6.204 213 HG21 THR 504 HG21 THR 504 -2.605 -3.032 4.324 214 HG22 THR 504 HG22 THR 504 -1.421 -1.925 5.020 215 HG23 THR 504 HG23 THR 504 -2.429 -2.916 6.076 216 H TRP 505 HN TRP 505 -0.656 -6.261 2.802 217 HA TRP 505 HA TRP 505 -2.118 -5.378 0.497 218 HB2 TRP 505 HB2 TRP 505 -2.042 -8.114 1.797 219 HB3 TRP 505 HB1 TRP 505 -2.733 -7.755 0.223 220 HD1 TRP 505 HD1 TRP 505 0.243 -9.189 1.647 221 HE1 TRP 505 HE1 TRP 505 2.222 -9.126 0.016 222 HE3 TRP 505 HE3 TRP 505 -1.598 -5.834 -1.737 223 HZ2 TRP 505 HZ2 TRP 505 2.919 -7.837 -2.375 224 HZ3 TRP 505 HZ3 TRP 505 -0.203 -5.247 -3.675 225 HH2 TRP 505 HH2 TRP 505 2.008 -6.228 -3.986 226 H GLU 506 HN GLU 506 -2.790 -5.674 3.782 227 HA GLU 506 HA GLU 506 -5.550 -6.431 3.612 228 HB2 GLU 506 HB2 GLU 506 -3.701 -5.583 5.785 229 HB3 GLU 506 HB1 GLU 506 -5.429 -5.451 6.069 230 HG2 GLU 506 HG2 GLU 506 -4.000 -7.974 5.269 231 HG3 GLU 506 HG1 GLU 506 -4.473 -7.546 6.914 232 H ASP 507 HN ASP 507 -7.259 -5.370 3.524 233 HA ASP 507 HA ASP 507 -7.214 -2.692 2.739 234 HB2 ASP 507 HB2 ASP 507 -8.934 -4.068 1.849 235 HB3 ASP 507 HB1 ASP 507 -9.419 -4.614 3.449 236 HA PRO 508 HA PRO 508 -7.091 -0.980 6.855 237 HB2 PRO 508 HB2 PRO 508 -7.509 1.621 6.224 238 HB3 PRO 508 HB1 PRO 508 -5.973 0.794 5.940 239 HG2 PRO 508 HG2 PRO 508 -8.190 1.379 4.026 240 HG3 PRO 508 HG1 PRO 508 -6.442 1.532 3.789 241 HD2 PRO 508 HD2 PRO 508 -7.855 -0.578 2.852 242 HD3 PRO 508 HD1 PRO 508 -6.169 -0.718 3.380 243 H ARG 509 HN ARG 509 -9.850 -1.455 5.151 244 HA ARG 509 HA ARG 509 -12.059 -1.343 5.599 245 HB2 ARG 509 HB2 ARG 509 -10.916 -0.974 8.342 246 HB3 ARG 509 HB1 ARG 509 -12.642 -0.781 8.091 247 HG2 ARG 509 HG2 ARG 509 -12.261 -2.999 8.829 248 HG3 ARG 509 HG1 ARG 509 -12.689 -3.077 7.124 249 HD2 ARG 509 HD2 ARG 509 -10.378 -3.403 6.514 250 HD3 ARG 509 HD1 ARG 509 -9.867 -3.161 8.185 251 HE ARG 509 HE ARG 509 -11.637 -5.245 8.298 252 HH11 ARG 509 HH11 ARG 509 -8.639 -4.649 6.564 253 HH12 ARG 509 HH12 ARG 509 -8.186 -6.334 6.529 254 HH21 ARG 509 HH21 ARG 509 -11.047 -7.449 8.227 255 HH22 ARG 509 HH22 ARG 509 -9.572 -7.915 7.428 256 H1 ARG 925 HT1 ARG 925 -4.955 -13.586 -1.197 257 H2 ARG 925 HT2 ARG 925 -6.004 -12.297 -0.858 258 H3 ARG 925 HT3 ARG 925 -5.133 -13.037 0.397 259 HA ARG 925 HA ARG 925 -3.912 -11.594 -1.872 260 HB2 ARG 925 HB2 ARG 925 -3.350 -9.881 -0.073 261 HB3 ARG 925 HB1 ARG 925 -5.008 -9.915 -0.650 262 HG2 ARG 925 HG2 ARG 925 -5.593 -11.286 1.352 263 HG3 ARG 925 HG1 ARG 925 -3.953 -11.010 1.944 264 HD2 ARG 925 HD2 ARG 925 -5.635 -9.436 2.883 265 HD3 ARG 925 HD1 ARG 925 -4.317 -8.640 2.023 266 HE ARG 925 HE ARG 925 -5.902 -8.454 0.109 267 HH11 ARG 925 HH11 ARG 925 -7.103 -8.706 3.399 268 HH12 ARG 925 HH12 ARG 925 -8.637 -7.967 3.016 269 HH21 ARG 925 HH21 ARG 925 -7.884 -7.443 -0.366 270 HH22 ARG 925 HH22 ARG 925 -9.075 -7.251 0.883 271 H LEU 926 HN LEU 926 -1.746 -11.575 -1.919 272 HA LEU 926 HA LEU 926 -0.432 -13.793 -0.762 273 HB2 LEU 926 HB2 LEU 926 0.402 -11.529 -2.516 274 HB3 LEU 926 HB1 LEU 926 1.634 -12.535 -1.779 275 HG LEU 926 HG LEU 926 1.251 -13.392 -3.956 276 HD11 LEU 926 HD11 LEU 926 0.425 -15.655 -3.468 277 HD12 LEU 926 HD12 LEU 926 -0.187 -15.072 -1.917 278 HD13 LEU 926 HD13 LEU 926 1.546 -15.062 -2.239 279 HD21 LEU 926 HD21 LEU 926 -0.911 -12.353 -4.398 280 HD22 LEU 926 HD22 LEU 926 -1.687 -13.472 -3.277 281 HD23 LEU 926 HD23 LEU 926 -0.952 -14.079 -4.762 282 H ASP 927 HN ASP 927 1.929 -13.378 0.060 283 HA ASP 927 HA ASP 927 1.749 -11.878 2.518 284 HB2 ASP 927 HB2 ASP 927 4.173 -12.697 2.761 285 HB3 ASP 927 HB1 ASP 927 2.904 -13.914 2.766 286 H LEU 928 HN LEU 928 2.954 -10.096 3.078 287 HA LEU 928 HA LEU 928 3.354 -8.234 0.954 288 HB2 LEU 928 HB2 LEU 928 2.454 -7.591 3.136 289 HB3 LEU 928 HB1 LEU 928 3.973 -8.024 3.901 290 HG LEU 928 HG LEU 928 4.986 -6.259 2.266 291 HD11 LEU 928 HD11 LEU 928 3.458 -4.412 1.781 292 HD12 LEU 928 HD12 LEU 928 2.110 -5.369 2.397 293 HD13 LEU 928 HD13 LEU 928 2.977 -5.895 0.954 294 HD21 LEU 928 HD21 LEU 928 3.347 -5.486 4.669 295 HD22 LEU 928 HD22 LEU 928 4.637 -4.525 3.949 296 HD23 LEU 928 HD23 LEU 928 5.005 -6.086 4.684 297 HA PRO 929 HA PRO 929 7.810 -8.746 0.598 298 HB2 PRO 929 HB2 PRO 929 7.906 -6.625 -1.291 299 HB3 PRO 929 HB1 PRO 929 7.905 -8.353 -1.633 300 HG2 PRO 929 HG2 PRO 929 5.866 -6.555 -2.275 301 HG3 PRO 929 HG1 PRO 929 5.733 -8.322 -2.256 302 HD2 PRO 929 HD2 PRO 929 4.849 -6.330 -0.233 303 HD3 PRO 929 HD1 PRO 929 4.134 -7.894 -0.672 304 HA PRO 930 HA PRO 930 9.274 -5.570 3.392 305 HB2 PRO 930 HB2 PRO 930 11.826 -5.342 2.243 306 HB3 PRO 930 HB1 PRO 930 11.370 -6.421 3.562 307 HG2 PRO 930 HG2 PRO 930 11.645 -6.994 0.652 308 HG3 PRO 930 HG1 PRO 930 12.003 -8.033 2.044 309 HD2 PRO 930 HD2 PRO 930 9.808 -8.410 0.559 310 HD3 PRO 930 HD1 PRO 930 9.778 -8.640 2.320 311 H TYR 931 HN TYR 931 9.178 -3.372 3.338 312 HA TYR 931 HA TYR 931 8.235 -2.196 0.958 313 HB2 TYR 931 HB2 TYR 931 7.537 -1.506 3.219 314 HB3 TYR 931 HB1 TYR 931 9.154 -0.914 3.546 315 HD1 TYR 931 HD2 TYR 931 7.895 -0.186 0.212 316 HD2 TYR 931 HD1 TYR 931 7.986 1.187 4.238 317 HE1 TYR 931 HE2 TYR 931 7.224 2.054 -0.535 318 HE2 TYR 931 HE1 TYR 931 7.315 3.421 3.502 319 HH TYR 931 HH TYR 931 6.202 4.052 0.316 320 H GLU 932 HN GLU 932 9.364 -1.673 -0.696 321 HA GLU 932 HA GLU 932 12.019 -0.426 -0.443 322 HB2 GLU 932 HB2 GLU 932 10.602 -1.712 -2.799 323 HB3 GLU 932 HB1 GLU 932 12.149 -0.885 -2.910 324 HG2 GLU 932 HG2 GLU 932 11.765 -3.198 -1.051 325 HG3 GLU 932 HG1 GLU 932 12.120 -3.445 -2.760 326 H THR 933 HN THR 933 12.242 1.728 -1.356 327 HA THR 933 HA THR 933 9.709 3.063 -1.515 328 HB THR 933 HB THR 933 12.256 4.383 -2.397 329 HG1 THR 933 HG1 THR 933 11.447 3.630 0.218 330 HG21 THR 933 HG21 THR 933 9.756 5.339 -0.973 331 HG22 THR 933 HG22 THR 933 10.121 5.572 -2.681 332 HG23 THR 933 HG23 THR 933 11.116 6.357 -1.451 333 H PHE 934 HN PHE 934 8.482 3.056 -3.133 334 HA PHE 934 HA PHE 934 9.442 2.797 -5.865 335 HB2 PHE 934 HB2 PHE 934 7.140 2.429 -6.462 336 HB3 PHE 934 HB1 PHE 934 7.392 1.537 -4.963 337 HD1 PHE 934 HD2 PHE 934 6.527 2.479 -2.799 338 HD2 PHE 934 HD1 PHE 934 5.645 4.181 -6.601 339 HE1 PHE 934 HE2 PHE 934 4.782 3.856 -1.784 340 HE2 PHE 934 HE1 PHE 934 3.879 5.546 -5.583 341 HZ PHE 934 HZ PHE 934 3.486 5.395 -3.177 342 H GLU 935 HN GLU 935 7.946 4.478 -7.341 343 HA GLU 935 HA GLU 935 9.123 6.955 -7.148 344 HB2 GLU 935 HB2 GLU 935 7.640 7.658 -8.810 345 HB3 GLU 935 HB1 GLU 935 7.600 5.909 -8.993 346 HG2 GLU 935 HG2 GLU 935 5.548 5.937 -7.493 347 HG3 GLU 935 HG1 GLU 935 5.554 7.684 -7.696 348 H ASP 936 HN ASP 936 8.453 9.021 -6.373 349 HA ASP 936 HA ASP 936 7.206 8.985 -3.831 350 HB2 ASP 936 HB2 ASP 936 7.367 11.451 -3.929 351 HB3 ASP 936 HB1 ASP 936 8.879 10.669 -4.371 352 H LEU 937 HN LEU 937 5.146 9.057 -3.294 353 HA LEU 937 HA LEU 937 3.105 9.160 -5.296 354 HB2 LEU 937 HB2 LEU 937 3.135 7.730 -3.185 355 HB3 LEU 937 HB1 LEU 937 2.725 9.185 -2.303 356 HG LEU 937 HG LEU 937 0.824 7.588 -2.871 357 HD11 LEU 937 HD11 LEU 937 0.421 9.856 -2.098 358 HD12 LEU 937 HD12 LEU 937 -0.759 9.385 -3.322 359 HD13 LEU 937 HD13 LEU 937 0.573 10.457 -3.750 360 HD21 LEU 937 HD21 LEU 937 1.455 7.100 -5.161 361 HD22 LEU 937 HD22 LEU 937 1.229 8.793 -5.602 362 HD23 LEU 937 HD23 LEU 937 -0.153 7.819 -5.101 363 HN1 NH2 938 H1 LEU 937 3.222 10.972 -2.257 364 HN2 NH2 938 H2 LEU 937 2.703 12.479 -2.920 Start of MODEL 12 1 H PHE 478 HT1 PHE 478 -12.917 8.152 -1.164 2 HA PHE 478 HA PHE 478 -11.393 6.254 -1.556 3 HB2 PHE 478 HB2 PHE 478 -9.608 7.647 -2.480 4 HB3 PHE 478 HB1 PHE 478 -11.171 8.393 -2.754 5 HD1 PHE 478 HD2 PHE 478 -11.882 10.229 -1.051 6 HD2 PHE 478 HD1 PHE 478 -7.880 8.889 -1.592 7 HE1 PHE 478 HE2 PHE 478 -11.049 12.329 -0.078 8 HE2 PHE 478 HE1 PHE 478 -7.041 10.986 -0.616 9 HZ PHE 478 HZ PHE 478 -8.627 12.710 0.141 10 H LEU 479 HN LEU 479 -8.552 6.762 -1.120 11 HA LEU 479 HA LEU 479 -8.352 5.368 1.386 12 HB2 LEU 479 HB2 LEU 479 -6.785 5.608 -0.968 13 HB3 LEU 479 HB1 LEU 479 -5.789 6.146 0.373 14 HG LEU 479 HG LEU 479 -6.395 3.975 1.543 15 HD11 LEU 479 HD11 LEU 479 -8.362 3.486 0.080 16 HD12 LEU 479 HD12 LEU 479 -7.214 2.152 0.209 17 HD13 LEU 479 HD13 LEU 479 -7.238 3.155 -1.242 18 HD21 LEU 479 HD21 LEU 479 -4.228 4.355 0.482 19 HD22 LEU 479 HD22 LEU 479 -4.879 3.787 -1.056 20 HD23 LEU 479 HD23 LEU 479 -4.751 2.681 0.311 21 HA PRO 480 HA PRO 480 -7.594 8.712 4.283 22 HB2 PRO 480 HB2 PRO 480 -5.589 6.626 5.052 23 HB3 PRO 480 HB1 PRO 480 -6.597 7.614 6.104 24 HG2 PRO 480 HG2 PRO 480 -7.314 5.137 5.624 25 HG3 PRO 480 HG1 PRO 480 -8.541 6.417 5.530 26 HD2 PRO 480 HD2 PRO 480 -7.177 4.940 3.327 27 HD3 PRO 480 HD1 PRO 480 -8.841 5.549 3.417 28 HA PRO 481 HA PRO 481 -4.457 11.222 2.640 29 HB2 PRO 481 HB2 PRO 481 -3.506 11.646 5.434 30 HB3 PRO 481 HB1 PRO 481 -3.915 12.832 4.188 31 HG2 PRO 481 HG2 PRO 481 -5.608 12.339 6.170 32 HG3 PRO 481 HG1 PRO 481 -6.203 12.583 4.516 33 HD2 PRO 481 HD2 PRO 481 -5.923 10.058 6.080 34 HD3 PRO 481 HD1 PRO 481 -7.162 10.523 4.898 35 H GLY 482 HN GLY 482 -3.167 9.026 5.169 36 HA2 GLY 482 HA2 GLY 482 -0.526 9.222 3.905 37 HA3 GLY 482 HA1 GLY 482 -0.857 8.455 5.431 38 H TRP 483 HN TRP 483 -3.232 7.388 3.528 39 HA TRP 483 HA TRP 483 -1.761 4.922 3.009 40 HB2 TRP 483 HB2 TRP 483 -4.710 5.548 3.170 41 HB3 TRP 483 HB1 TRP 483 -4.100 4.003 2.577 42 HD1 TRP 483 HD1 TRP 483 -4.002 6.156 5.788 43 HE1 TRP 483 HE1 TRP 483 -3.732 4.584 7.799 44 HE3 TRP 483 HE3 TRP 483 -3.453 1.739 3.277 45 HZ2 TRP 483 HZ2 TRP 483 -3.335 1.826 8.262 46 HZ3 TRP 483 HZ3 TRP 483 -3.122 -0.319 4.578 47 HH2 TRP 483 HH2 TRP 483 -3.062 -0.277 7.021 48 H GLU 484 HN GLU 484 -1.062 4.483 1.096 49 HA GLU 484 HA GLU 484 -2.197 5.909 -1.213 50 HB2 GLU 484 HB2 GLU 484 0.404 5.879 -0.215 51 HB3 GLU 484 HB1 GLU 484 0.449 4.784 -1.576 52 HG2 GLU 484 HG2 GLU 484 -0.516 7.620 -1.653 53 HG3 GLU 484 HG1 GLU 484 1.066 7.065 -2.186 54 H MET 485 HN MET 485 -2.655 4.714 -3.038 55 HA MET 485 HA MET 485 -2.717 1.788 -2.579 56 HB2 MET 485 HB2 MET 485 -4.934 2.866 -2.312 57 HB3 MET 485 HB1 MET 485 -4.824 3.480 -3.953 58 HG2 MET 485 HG2 MET 485 -4.882 1.258 -4.843 59 HG3 MET 485 HG1 MET 485 -4.816 0.561 -3.229 60 HE1 MET 485 HE1 MET 485 -8.409 3.008 -4.791 61 HE2 MET 485 HE2 MET 485 -6.960 2.699 -5.746 62 HE3 MET 485 HE3 MET 485 -6.871 3.731 -4.317 63 H ARG 486 HN ARG 486 -1.234 0.962 -3.885 64 HA ARG 486 HA ARG 486 -1.135 1.784 -6.701 65 HB2 ARG 486 HB2 ARG 486 1.228 1.746 -4.810 66 HB3 ARG 486 HB1 ARG 486 1.345 1.946 -6.554 67 HG2 ARG 486 HG2 ARG 486 -0.261 3.807 -4.835 68 HG3 ARG 486 HG1 ARG 486 1.461 4.044 -5.136 69 HD2 ARG 486 HD2 ARG 486 -0.604 3.770 -7.313 70 HD3 ARG 486 HD1 ARG 486 -0.063 5.318 -6.662 71 HE ARG 486 HE ARG 486 2.237 4.537 -7.382 72 HH11 ARG 486 HH11 ARG 486 -0.688 3.576 -9.026 73 HH12 ARG 486 HH12 ARG 486 0.091 3.324 -10.556 74 HH21 ARG 486 HH21 ARG 486 3.292 4.222 -9.368 75 HH22 ARG 486 HH22 ARG 486 2.373 3.693 -10.750 76 H ILE 487 HN ILE 487 -0.215 0.182 -8.092 77 HA ILE 487 HA ILE 487 -0.184 -2.456 -6.847 78 HB ILE 487 HB ILE 487 -0.682 -3.470 -8.862 79 HG12 ILE 487 HG12 ILE 487 1.156 -2.130 -10.108 80 HG13 ILE 487 HG11 ILE 487 -0.215 -2.739 -11.022 81 HG21 ILE 487 HG21 ILE 487 -2.583 -2.277 -9.807 82 HG22 ILE 487 HG22 ILE 487 -2.040 -0.787 -9.037 83 HG23 ILE 487 HG23 ILE 487 -2.554 -2.153 -8.051 84 HD11 ILE 487 HD11 ILE 487 -1.235 -0.539 -10.969 85 HD12 ILE 487 HD12 ILE 487 0.374 -0.491 -11.688 86 HD13 ILE 487 HD13 ILE 487 0.128 0.080 -10.036 87 H ALA 488 HN ALA 488 1.428 -3.916 -7.136 88 HA ALA 488 HA ALA 488 4.071 -2.898 -7.831 89 HB1 ALA 488 HB1 ALA 488 3.821 -4.315 -5.820 90 HB2 ALA 488 HB2 ALA 488 4.872 -5.076 -7.010 91 HB3 ALA 488 HB3 ALA 488 3.208 -5.627 -6.824 92 HA PRO 489 HA PRO 489 4.210 -3.909 -12.039 93 HB2 PRO 489 HB2 PRO 489 6.474 -5.772 -11.468 94 HB3 PRO 489 HB1 PRO 489 6.342 -4.495 -12.685 95 HG2 PRO 489 HG2 PRO 489 7.721 -4.059 -10.472 96 HG3 PRO 489 HG1 PRO 489 6.658 -2.796 -11.120 97 HD2 PRO 489 HD2 PRO 489 6.253 -4.598 -8.777 98 HD3 PRO 489 HD1 PRO 489 5.765 -2.906 -8.997 99 H ASN 490 HN ASN 490 3.545 -6.516 -9.947 100 HA ASN 490 HA ASN 490 3.035 -8.409 -12.100 101 HB2 ASN 490 HB2 ASN 490 2.378 -8.542 -9.144 102 HB3 ASN 490 HB1 ASN 490 2.095 -9.843 -10.293 103 HD21 ASN 490 HD21 ASN 490 3.400 -11.277 -9.246 104 HD22 ASN 490 HD22 ASN 490 5.124 -11.137 -9.207 105 H GLY 491 HN GLY 491 1.606 -5.685 -11.021 106 HA2 GLY 491 HA2 GLY 491 -0.480 -4.773 -11.388 107 HA3 GLY 491 HA1 GLY 491 -1.023 -6.310 -12.030 108 H ARG 492 HN ARG 492 0.536 -6.217 -8.961 109 HA ARG 492 HA ARG 492 -1.978 -6.941 -7.654 110 HB2 ARG 492 HB2 ARG 492 -0.410 -7.478 -5.707 111 HB3 ARG 492 HB1 ARG 492 -0.336 -8.534 -7.091 112 HG2 ARG 492 HG2 ARG 492 1.652 -7.207 -7.875 113 HG3 ARG 492 HG1 ARG 492 1.623 -6.399 -6.305 114 HD2 ARG 492 HD2 ARG 492 1.828 -8.599 -5.206 115 HD3 ARG 492 HD1 ARG 492 1.928 -9.363 -6.789 116 HE ARG 492 HE ARG 492 3.923 -7.398 -6.609 117 HH11 ARG 492 HH11 ARG 492 3.116 -10.544 -5.296 118 HH12 ARG 492 HH12 ARG 492 4.771 -10.954 -4.935 119 HH21 ARG 492 HH21 ARG 492 6.103 -7.958 -6.163 120 HH22 ARG 492 HH22 ARG 492 6.457 -9.499 -5.440 121 HA PRO 493 HA PRO 493 -1.915 -2.805 -6.018 122 HB2 PRO 493 HB2 PRO 493 -4.450 -2.757 -5.139 123 HB3 PRO 493 HB1 PRO 493 -4.071 -2.747 -6.862 124 HG2 PRO 493 HG2 PRO 493 -5.114 -4.943 -5.170 125 HG3 PRO 493 HG1 PRO 493 -5.364 -4.636 -6.895 126 HD2 PRO 493 HD2 PRO 493 -3.545 -6.470 -5.728 127 HD3 PRO 493 HD1 PRO 493 -3.655 -6.014 -7.439 128 H PHE 494 HN PHE 494 -1.080 -2.140 -4.137 129 HA PHE 494 HA PHE 494 -2.001 -3.462 -1.691 130 HB2 PHE 494 HB2 PHE 494 0.295 -3.279 -0.763 131 HB3 PHE 494 HB1 PHE 494 0.146 -4.403 -2.090 132 HD1 PHE 494 HD1 PHE 494 0.597 -0.689 -2.318 133 HD2 PHE 494 HD2 PHE 494 2.298 -4.553 -2.869 134 HE1 PHE 494 HE1 PHE 494 2.558 0.342 -3.420 135 HE2 PHE 494 HE2 PHE 494 4.247 -3.542 -3.969 136 HZ PHE 494 HZ PHE 494 4.375 -1.100 -4.253 137 H PHE 495 HN PHE 495 -2.034 -2.234 0.186 138 HA PHE 495 HA PHE 495 -2.235 0.645 -0.282 139 HB2 PHE 495 HB2 PHE 495 -3.099 -0.859 2.191 140 HB3 PHE 495 HB1 PHE 495 -3.590 0.751 1.679 141 HD1 PHE 495 HD1 PHE 495 -4.936 0.910 -0.516 142 HD2 PHE 495 HD2 PHE 495 -4.397 -2.695 1.677 143 HE1 PHE 495 HE1 PHE 495 -6.912 -0.051 -1.620 144 HE2 PHE 495 HE2 PHE 495 -6.374 -3.661 0.578 145 HZ PHE 495 HZ PHE 495 -7.633 -2.341 -1.076 146 H ILE 496 HN ILE 496 -0.324 1.606 0.017 147 HA ILE 496 HA ILE 496 1.422 0.783 2.210 148 HB ILE 496 HB ILE 496 1.848 2.946 0.137 149 HG12 ILE 496 HG12 ILE 496 2.880 0.107 0.283 150 HG13 ILE 496 HG11 ILE 496 1.793 0.770 -0.931 151 HG21 ILE 496 HG21 ILE 496 3.749 1.714 2.134 152 HG22 ILE 496 HG22 ILE 496 3.099 3.353 2.183 153 HG23 ILE 496 HG23 ILE 496 4.191 2.874 0.883 154 HD11 ILE 496 HD11 ILE 496 4.048 0.536 -1.791 155 HD12 ILE 496 HD12 ILE 496 4.659 1.576 -0.503 156 HD13 ILE 496 HD13 ILE 496 3.570 2.233 -1.726 157 H ASP 497 HN ASP 497 0.872 1.616 4.166 158 HA ASP 497 HA ASP 497 -0.113 4.353 4.213 159 HB2 ASP 497 HB2 ASP 497 -0.986 3.959 6.205 160 HB3 ASP 497 HB1 ASP 497 -0.723 2.252 5.848 161 H HIS 498 HN HIS 498 1.053 5.964 4.519 162 HA HIS 498 HA HIS 498 3.907 5.597 4.654 163 HB2 HIS 498 HB2 HIS 498 2.201 8.039 4.184 164 HB3 HIS 498 HB1 HIS 498 3.965 8.070 4.211 165 HD1 HIS 498 HD1 HIS 498 5.190 7.246 2.160 166 HD2 HIS 498 HD2 HIS 498 1.077 6.540 1.980 167 HE1 HIS 498 HE1 HIS 498 4.761 6.298 -0.134 168 HE2 HIS 498 HE2 HIS 498 2.247 6.118 -0.295 169 H ASN 499 HN ASN 499 1.511 6.071 6.977 170 HA ASN 499 HA ASN 499 2.952 8.032 8.536 171 HB2 ASN 499 HB2 ASN 499 0.467 6.433 9.170 172 HB3 ASN 499 HB1 ASN 499 1.093 7.761 10.142 173 HD21 ASN 499 HD21 ASN 499 -1.380 7.219 8.395 174 HD22 ASN 499 HD22 ASN 499 -1.540 8.671 7.480 175 H THR 500 HN THR 500 1.948 4.614 9.219 176 HA THR 500 HA THR 500 4.135 4.426 11.101 177 HB THR 500 HB THR 500 2.718 2.961 11.987 178 HG1 THR 500 HG1 THR 500 3.450 1.087 9.993 179 HG21 THR 500 HG21 THR 500 0.973 1.719 10.825 180 HG22 THR 500 HG22 THR 500 1.572 2.328 9.282 181 HG23 THR 500 HG23 THR 500 0.902 3.445 10.472 182 H LYS 501 HN LYS 501 3.680 4.059 7.784 183 HA LYS 501 HA LYS 501 5.126 3.694 6.076 184 HB2 LYS 501 HB2 LYS 501 6.882 4.684 7.595 185 HB3 LYS 501 HB1 LYS 501 7.270 3.047 8.107 186 HG2 LYS 501 HG2 LYS 501 7.836 2.471 5.785 187 HG3 LYS 501 HG1 LYS 501 7.493 4.136 5.307 188 HD2 LYS 501 HD2 LYS 501 9.262 4.934 6.785 189 HD3 LYS 501 HD1 LYS 501 9.585 3.278 7.306 190 HE2 LYS 501 HE2 LYS 501 10.160 2.688 4.986 191 HE3 LYS 501 HE1 LYS 501 9.897 4.367 4.511 192 HZ1 LYS 501 HZ1 LYS 501 11.932 3.405 6.451 193 HZ2 LYS 501 HZ2 LYS 501 11.673 5.028 6.024 194 HZ3 LYS 501 HZ3 LYS 501 12.235 3.924 4.864 195 H THR 502 HN THR 502 3.371 1.845 6.577 196 HA THR 502 HA THR 502 4.820 -0.704 6.292 197 HB THR 502 HB THR 502 2.224 -0.372 7.817 198 HG1 THR 502 HG1 THR 502 4.803 0.043 8.575 199 HG21 THR 502 HG21 THR 502 2.662 -2.663 8.571 200 HG22 THR 502 HG22 THR 502 4.121 -2.716 7.582 201 HG23 THR 502 HG23 THR 502 2.539 -2.592 6.813 202 H THR 503 HN THR 503 3.856 -2.199 4.841 203 HA THR 503 HA THR 503 1.757 -1.025 3.140 204 HB THR 503 HB THR 503 3.663 -3.194 2.272 205 HG1 THR 503 HG1 THR 503 4.222 -0.592 2.830 206 HG21 THR 503 HG21 THR 503 3.155 -2.311 0.044 207 HG22 THR 503 HG22 THR 503 2.103 -1.092 0.764 208 HG23 THR 503 HG23 THR 503 1.683 -2.801 0.885 209 H THR 504 HN THR 504 -0.113 -2.130 2.857 210 HA THR 504 HA THR 504 -0.290 -4.830 4.033 211 HB THR 504 HB THR 504 -2.608 -4.214 4.766 212 HG1 THR 504 HG1 THR 504 -1.719 -1.571 4.145 213 HG21 THR 504 HG21 THR 504 -0.762 -4.206 6.368 214 HG22 THR 504 HG22 THR 504 -1.902 -2.908 6.722 215 HG23 THR 504 HG23 THR 504 -0.372 -2.544 5.923 216 H TRP 505 HN TRP 505 -1.745 -6.275 3.068 217 HA TRP 505 HA TRP 505 -2.574 -5.644 0.348 218 HB2 TRP 505 HB2 TRP 505 -2.672 -8.181 1.978 219 HB3 TRP 505 HB1 TRP 505 -3.379 -8.050 0.377 220 HD1 TRP 505 HD1 TRP 505 -0.252 -8.973 2.089 221 HE1 TRP 505 HE1 TRP 505 1.612 -9.385 0.370 222 HE3 TRP 505 HE3 TRP 505 -2.453 -6.846 -1.998 223 HZ2 TRP 505 HZ2 TRP 505 2.085 -8.871 -2.379 224 HZ3 TRP 505 HZ3 TRP 505 -1.243 -6.856 -4.133 225 HH2 TRP 505 HH2 TRP 505 0.980 -7.849 -4.329 226 H GLU 506 HN GLU 506 -3.912 -6.049 3.512 227 HA GLU 506 HA GLU 506 -6.605 -6.496 2.516 228 HB2 GLU 506 HB2 GLU 506 -5.178 -6.964 5.045 229 HB3 GLU 506 HB1 GLU 506 -6.843 -6.431 5.229 230 HG2 GLU 506 HG2 GLU 506 -6.479 -8.913 5.200 231 HG3 GLU 506 HG1 GLU 506 -7.677 -8.300 4.064 232 H ASP 507 HN ASP 507 -8.246 -5.259 2.660 233 HA ASP 507 HA ASP 507 -7.798 -2.501 2.812 234 HB2 ASP 507 HB2 ASP 507 -9.516 -3.486 1.348 235 HB3 ASP 507 HB1 ASP 507 -10.415 -4.015 2.766 236 HA PRO 508 HA PRO 508 -8.214 -2.316 7.261 237 HB2 PRO 508 HB2 PRO 508 -7.738 0.544 6.971 238 HB3 PRO 508 HB1 PRO 508 -6.711 -0.682 7.719 239 HG2 PRO 508 HG2 PRO 508 -6.074 0.561 5.389 240 HG3 PRO 508 HG1 PRO 508 -5.560 -1.089 5.780 241 HD2 PRO 508 HD2 PRO 508 -7.797 -0.165 4.022 242 HD3 PRO 508 HD1 PRO 508 -6.652 -1.503 3.783 243 H ARG 509 HN ARG 509 -9.143 0.834 6.009 244 HA ARG 509 HA ARG 509 -10.952 2.153 6.348 245 HB2 ARG 509 HB2 ARG 509 -11.943 0.716 4.689 246 HB3 ARG 509 HB1 ARG 509 -12.331 -0.497 5.900 247 HG2 ARG 509 HG2 ARG 509 -13.933 1.014 6.926 248 HG3 ARG 509 HG1 ARG 509 -13.520 2.266 5.752 249 HD2 ARG 509 HD2 ARG 509 -15.606 0.944 5.253 250 HD3 ARG 509 HD1 ARG 509 -14.410 1.008 3.958 251 HE ARG 509 HE ARG 509 -13.847 -1.272 5.415 252 HH11 ARG 509 HH11 ARG 509 -16.605 -0.047 3.627 253 HH12 ARG 509 HH12 ARG 509 -17.087 -1.618 3.055 254 HH21 ARG 509 HH21 ARG 509 -14.481 -3.320 4.707 255 HH22 ARG 509 HH22 ARG 509 -15.894 -3.496 3.695 256 H1 ARG 925 HT1 ARG 925 -5.251 -11.629 1.222 257 H2 ARG 925 HT2 ARG 925 -4.334 -10.830 2.405 258 H3 ARG 925 HT3 ARG 925 -4.771 -12.455 2.621 259 HA ARG 925 HA ARG 925 -3.415 -13.144 0.799 260 HB2 ARG 925 HB2 ARG 925 -3.812 -10.719 -0.234 261 HB3 ARG 925 HB1 ARG 925 -2.268 -10.396 0.540 262 HG2 ARG 925 HG2 ARG 925 -2.668 -12.701 -1.338 263 HG3 ARG 925 HG1 ARG 925 -2.226 -11.089 -1.895 264 HD2 ARG 925 HD2 ARG 925 -0.183 -11.146 -0.670 265 HD3 ARG 925 HD1 ARG 925 -0.658 -12.628 0.161 266 HE ARG 925 HE ARG 925 -0.692 -13.244 -2.517 267 HH11 ARG 925 HH11 ARG 925 1.708 -12.035 -0.267 268 HH12 ARG 925 HH12 ARG 925 3.042 -12.797 -1.079 269 HH21 ARG 925 HH21 ARG 925 1.046 -14.301 -3.560 270 HH22 ARG 925 HH22 ARG 925 2.661 -14.109 -2.936 271 H LEU 926 HN LEU 926 -1.392 -13.880 1.303 272 HA LEU 926 HA LEU 926 -0.431 -13.606 3.920 273 HB2 LEU 926 HB2 LEU 926 -0.088 -15.543 2.359 274 HB3 LEU 926 HB1 LEU 926 1.099 -14.580 1.504 275 HG LEU 926 HG LEU 926 2.483 -14.493 3.540 276 HD11 LEU 926 HD11 LEU 926 0.717 -14.688 5.204 277 HD12 LEU 926 HD12 LEU 926 1.940 -15.936 5.438 278 HD13 LEU 926 HD13 LEU 926 0.397 -16.345 4.686 279 HD21 LEU 926 HD21 LEU 926 2.878 -16.232 1.887 280 HD22 LEU 926 HD22 LEU 926 1.692 -17.271 2.675 281 HD23 LEU 926 HD23 LEU 926 3.183 -16.840 3.513 282 H ASP 927 HN ASP 927 2.169 -13.208 4.065 283 HA ASP 927 HA ASP 927 2.376 -10.509 4.452 284 HB2 ASP 927 HB2 ASP 927 4.567 -12.543 4.055 285 HB3 ASP 927 HB1 ASP 927 4.865 -10.891 4.586 286 H LEU 928 HN LEU 928 3.292 -8.806 3.495 287 HA LEU 928 HA LEU 928 3.383 -8.849 0.584 288 HB2 LEU 928 HB2 LEU 928 2.048 -7.233 2.095 289 HB3 LEU 928 HB1 LEU 928 3.586 -6.462 2.416 290 HG LEU 928 HG LEU 928 2.802 -6.790 -0.435 291 HD11 LEU 928 HD11 LEU 928 1.422 -4.775 -0.338 292 HD12 LEU 928 HD12 LEU 928 1.567 -4.758 1.419 293 HD13 LEU 928 HD13 LEU 928 0.721 -6.081 0.616 294 HD21 LEU 928 HD21 LEU 928 3.856 -4.592 -0.603 295 HD22 LEU 928 HD22 LEU 928 4.930 -5.750 0.182 296 HD23 LEU 928 HD23 LEU 928 4.069 -4.552 1.147 297 HA PRO 929 HA PRO 929 7.836 -8.711 0.310 298 HB2 PRO 929 HB2 PRO 929 7.497 -6.572 -1.714 299 HB3 PRO 929 HB1 PRO 929 8.310 -8.133 -1.854 300 HG2 PRO 929 HG2 PRO 929 5.941 -7.665 -3.020 301 HG3 PRO 929 HG1 PRO 929 6.356 -9.256 -2.349 302 HD2 PRO 929 HD2 PRO 929 4.574 -7.133 -1.256 303 HD3 PRO 929 HD1 PRO 929 4.418 -8.894 -1.163 304 HA PRO 930 HA PRO 930 9.287 -5.325 2.865 305 HB2 PRO 930 HB2 PRO 930 11.639 -5.456 1.026 306 HB3 PRO 930 HB1 PRO 930 11.594 -5.427 2.793 307 HG2 PRO 930 HG2 PRO 930 12.065 -7.699 1.490 308 HG3 PRO 930 HG1 PRO 930 11.053 -7.680 2.947 309 HD2 PRO 930 HD2 PRO 930 10.259 -7.944 0.088 310 HD3 PRO 930 HD1 PRO 930 9.524 -8.658 1.536 311 H TYR 931 HN TYR 931 8.975 -3.167 2.704 312 HA TYR 931 HA TYR 931 7.867 -2.167 0.313 313 HB2 TYR 931 HB2 TYR 931 7.082 -1.392 2.452 314 HB3 TYR 931 HB1 TYR 931 8.680 -0.839 2.907 315 HD1 TYR 931 HD1 TYR 931 7.402 -0.074 -0.460 316 HD2 TYR 931 HD2 TYR 931 7.774 1.320 3.539 317 HE1 TYR 931 HE1 TYR 931 6.819 2.197 -1.198 318 HE2 TYR 931 HE2 TYR 931 7.184 3.583 2.820 319 HH TYR 931 HH TYR 931 7.286 4.928 0.718 320 H GLU 932 HN GLU 932 8.898 -1.595 -1.414 321 HA GLU 932 HA GLU 932 11.442 -0.121 -1.236 322 HB2 GLU 932 HB2 GLU 932 10.158 -1.402 -3.667 323 HB3 GLU 932 HB1 GLU 932 11.758 -0.681 -3.588 324 HG2 GLU 932 HG2 GLU 932 10.891 -3.138 -2.084 325 HG3 GLU 932 HG1 GLU 932 11.805 -3.136 -3.590 326 H THR 933 HN THR 933 11.395 2.056 -1.889 327 HA THR 933 HA THR 933 8.737 3.115 -1.982 328 HB THR 933 HB THR 933 11.270 4.712 -2.344 329 HG1 THR 933 HG1 THR 933 10.521 3.259 -0.242 330 HG21 THR 933 HG21 THR 933 9.871 6.507 -1.360 331 HG22 THR 933 HG22 THR 933 8.493 5.404 -1.344 332 HG23 THR 933 HG23 THR 933 9.205 5.904 -2.877 333 H PHE 934 HN PHE 934 7.577 3.287 -3.644 334 HA PHE 934 HA PHE 934 8.615 3.581 -6.333 335 HB2 PHE 934 HB2 PHE 934 6.353 3.259 -7.065 336 HB3 PHE 934 HB1 PHE 934 6.624 2.105 -5.760 337 HD1 PHE 934 HD1 PHE 934 5.685 2.577 -3.491 338 HD2 PHE 934 HD2 PHE 934 4.752 4.923 -6.905 339 HE1 PHE 934 HE1 PHE 934 3.788 3.571 -2.290 340 HE2 PHE 934 HE2 PHE 934 2.851 5.914 -5.715 341 HZ PHE 934 HZ PHE 934 2.390 5.241 -3.411 342 H GLU 935 HN GLU 935 7.060 5.343 -7.592 343 HA GLU 935 HA GLU 935 8.083 7.827 -7.053 344 HB2 GLU 935 HB2 GLU 935 6.405 8.731 -8.519 345 HB3 GLU 935 HB1 GLU 935 6.896 7.156 -9.125 346 HG2 GLU 935 HG2 GLU 935 4.641 6.839 -7.366 347 HG3 GLU 935 HG1 GLU 935 4.299 8.075 -8.580 348 H ASP 936 HN ASP 936 6.771 9.844 -6.596 349 HA ASP 936 HA ASP 936 6.203 9.973 -3.883 350 HB2 ASP 936 HB2 ASP 936 5.308 11.868 -6.063 351 HB3 ASP 936 HB1 ASP 936 5.326 12.235 -4.342 352 H LEU 937 HN LEU 937 4.308 10.400 -2.731 353 HA LEU 937 HA LEU 937 2.246 8.614 -3.015 354 HB2 LEU 937 HB2 LEU 937 2.881 9.927 -0.980 355 HB3 LEU 937 HB1 LEU 937 2.076 11.316 -1.673 356 HG LEU 937 HG LEU 937 0.545 8.779 -1.201 357 HD11 LEU 937 HD11 LEU 937 -0.048 9.614 1.023 358 HD12 LEU 937 HD12 LEU 937 1.114 10.928 0.836 359 HD13 LEU 937 HD13 LEU 937 1.676 9.257 0.901 360 HD21 LEU 937 HD21 LEU 937 -0.526 10.561 -2.488 361 HD22 LEU 937 HD22 LEU 937 -0.222 11.698 -1.174 362 HD23 LEU 937 HD23 LEU 937 -1.318 10.337 -0.929 363 HN1 NH2 938 H1 LEU 937 0.926 8.413 -4.683 364 HN2 NH2 938 H2 LEU 937 0.075 9.697 -5.470 Start of MODEL 13 1 H PHE 478 HT1 PHE 478 -11.415 10.596 -1.094 2 HA PHE 478 HA PHE 478 -11.508 8.504 -2.230 3 HB2 PHE 478 HB2 PHE 478 -8.520 8.920 -2.518 4 HB3 PHE 478 HB1 PHE 478 -9.328 7.386 -2.824 5 HD1 PHE 478 HD1 PHE 478 -11.276 7.488 -4.570 6 HD2 PHE 478 HD2 PHE 478 -8.173 10.383 -4.246 7 HE1 PHE 478 HE1 PHE 478 -11.686 8.183 -6.895 8 HE2 PHE 478 HE2 PHE 478 -8.581 11.087 -6.568 9 HZ PHE 478 HZ PHE 478 -10.340 9.988 -7.896 10 H LEU 479 HN LEU 479 -8.416 7.838 -0.918 11 HA LEU 479 HA LEU 479 -9.646 7.177 1.662 12 HB2 LEU 479 HB2 LEU 479 -8.146 5.364 1.899 13 HB3 LEU 479 HB1 LEU 479 -8.782 5.263 0.275 14 HG LEU 479 HG LEU 479 -6.047 6.347 0.969 15 HD11 LEU 479 HD11 LEU 479 -6.845 3.661 -0.148 16 HD12 LEU 479 HD12 LEU 479 -6.261 3.961 1.488 17 HD13 LEU 479 HD13 LEU 479 -5.196 4.235 0.107 18 HD21 LEU 479 HD21 LEU 479 -7.290 5.615 -1.678 19 HD22 LEU 479 HD22 LEU 479 -5.611 6.090 -1.426 20 HD23 LEU 479 HD23 LEU 479 -6.910 7.246 -1.123 21 HA PRO 480 HA PRO 480 -7.243 9.843 4.246 22 HB2 PRO 480 HB2 PRO 480 -5.627 7.400 4.912 23 HB3 PRO 480 HB1 PRO 480 -6.222 8.670 5.989 24 HG2 PRO 480 HG2 PRO 480 -7.508 6.344 5.791 25 HG3 PRO 480 HG1 PRO 480 -8.394 7.869 5.958 26 HD2 PRO 480 HD2 PRO 480 -8.136 6.094 3.616 27 HD3 PRO 480 HD1 PRO 480 -9.384 7.297 3.992 28 HA PRO 481 HA PRO 481 -4.014 11.062 1.531 29 HB2 PRO 481 HB2 PRO 481 -2.785 12.923 3.111 30 HB3 PRO 481 HB1 PRO 481 -4.306 13.202 2.256 31 HG2 PRO 481 HG2 PRO 481 -3.854 12.433 5.116 32 HG3 PRO 481 HG1 PRO 481 -4.979 13.629 4.445 33 HD2 PRO 481 HD2 PRO 481 -5.808 11.190 5.201 34 HD3 PRO 481 HD1 PRO 481 -6.502 12.009 3.785 35 H GLY 482 HN GLY 482 -3.302 9.520 4.513 36 HA2 GLY 482 HA2 GLY 482 -0.459 9.319 3.788 37 HA3 GLY 482 HA1 GLY 482 -1.138 8.858 5.329 38 H TRP 483 HN TRP 483 -3.358 7.685 3.425 39 HA TRP 483 HA TRP 483 -2.126 5.046 3.327 40 HB2 TRP 483 HB2 TRP 483 -4.954 6.043 3.197 41 HB3 TRP 483 HB1 TRP 483 -4.556 4.434 2.606 42 HD1 TRP 483 HD1 TRP 483 -4.314 6.490 5.880 43 HE1 TRP 483 HE1 TRP 483 -4.456 4.844 7.856 44 HE3 TRP 483 HE3 TRP 483 -4.391 2.099 3.254 45 HZ2 TRP 483 HZ2 TRP 483 -4.606 2.043 8.239 46 HZ3 TRP 483 HZ3 TRP 483 -4.527 -0.015 4.503 47 HH2 TRP 483 HH2 TRP 483 -4.631 -0.040 6.942 48 H GLU 484 HN GLU 484 -1.000 4.684 1.579 49 HA GLU 484 HA GLU 484 -1.952 5.779 -0.950 50 HB2 GLU 484 HB2 GLU 484 0.263 5.186 -1.825 51 HB3 GLU 484 HB1 GLU 484 0.269 6.364 -0.579 52 HG2 GLU 484 HG2 GLU 484 0.947 4.646 1.021 53 HG3 GLU 484 HG1 GLU 484 0.934 3.461 -0.283 54 H MET 485 HN MET 485 -1.853 4.649 -2.747 55 HA MET 485 HA MET 485 -2.331 1.755 -2.436 56 HB2 MET 485 HB2 MET 485 -4.490 3.045 -2.368 57 HB3 MET 485 HB1 MET 485 -4.154 3.600 -3.998 58 HG2 MET 485 HG2 MET 485 -4.297 0.683 -3.344 59 HG3 MET 485 HG1 MET 485 -5.748 1.623 -3.673 60 HE1 MET 485 HE1 MET 485 -4.598 3.695 -5.841 61 HE2 MET 485 HE2 MET 485 -6.174 2.913 -5.977 62 HE3 MET 485 HE3 MET 485 -5.047 2.871 -7.334 63 H ARG 486 HN ARG 486 -0.832 0.850 -3.655 64 HA ARG 486 HA ARG 486 -0.533 1.742 -6.437 65 HB2 ARG 486 HB2 ARG 486 1.755 1.107 -4.559 66 HB3 ARG 486 HB1 ARG 486 1.920 1.381 -6.287 67 HG2 ARG 486 HG2 ARG 486 0.876 3.408 -4.319 68 HG3 ARG 486 HG1 ARG 486 2.535 3.336 -4.911 69 HD2 ARG 486 HD2 ARG 486 0.131 3.636 -6.700 70 HD3 ARG 486 HD1 ARG 486 1.049 4.998 -6.064 71 HE ARG 486 HE ARG 486 3.004 3.684 -7.232 72 HH11 ARG 486 HH11 ARG 486 -0.244 4.276 -8.412 73 HH12 ARG 486 HH12 ARG 486 0.224 4.216 -10.089 74 HH21 ARG 486 HH21 ARG 486 3.631 3.659 -9.403 75 HH22 ARG 486 HH22 ARG 486 2.432 3.859 -10.656 76 H ILE 487 HN ILE 487 0.038 0.069 -7.887 77 HA ILE 487 HA ILE 487 -0.698 -2.557 -6.809 78 HB ILE 487 HB ILE 487 -1.354 -3.130 -9.132 79 HG12 ILE 487 HG12 ILE 487 -0.903 -0.180 -9.634 80 HG13 ILE 487 HG11 ILE 487 0.081 -1.487 -10.286 81 HG21 ILE 487 HG21 ILE 487 -3.018 -2.419 -7.523 82 HG22 ILE 487 HG22 ILE 487 -3.419 -1.789 -9.121 83 HG23 ILE 487 HG23 ILE 487 -2.706 -0.726 -7.911 84 HD11 ILE 487 HD11 ILE 487 -2.832 -1.013 -10.864 85 HD12 ILE 487 HD12 ILE 487 -1.846 -2.318 -11.522 86 HD13 ILE 487 HD13 ILE 487 -1.481 -0.645 -11.937 87 H ALA 488 HN ALA 488 0.337 -4.405 -7.405 88 HA ALA 488 HA ALA 488 3.056 -4.162 -8.403 89 HB1 ALA 488 HB1 ALA 488 2.653 -5.576 -6.453 90 HB2 ALA 488 HB2 ALA 488 3.244 -6.535 -7.809 91 HB3 ALA 488 HB3 ALA 488 1.531 -6.562 -7.392 92 HA PRO 489 HA PRO 489 2.275 -4.993 -12.609 93 HB2 PRO 489 HB2 PRO 489 4.405 -7.052 -12.589 94 HB3 PRO 489 HB1 PRO 489 4.258 -5.586 -13.563 95 HG2 PRO 489 HG2 PRO 489 5.997 -5.707 -11.547 96 HG3 PRO 489 HG1 PRO 489 5.083 -4.222 -11.874 97 HD2 PRO 489 HD2 PRO 489 4.641 -6.294 -9.758 98 HD3 PRO 489 HD1 PRO 489 4.510 -4.526 -9.650 99 H ASN 490 HN ASN 490 1.821 -7.504 -10.391 100 HA ASN 490 HA ASN 490 0.652 -9.223 -12.469 101 HB2 ASN 490 HB2 ASN 490 0.584 -10.987 -10.701 102 HB3 ASN 490 HB1 ASN 490 2.208 -10.446 -11.099 103 HD21 ASN 490 HD21 ASN 490 1.222 -11.780 -8.719 104 HD22 ASN 490 HD22 ASN 490 1.635 -10.734 -7.391 105 H GLY 491 HN GLY 491 -0.275 -6.722 -10.744 106 HA2 GLY 491 HA2 GLY 491 -2.486 -5.938 -10.769 107 HA3 GLY 491 HA1 GLY 491 -3.055 -7.594 -10.883 108 H ARG 492 HN ARG 492 -0.795 -6.313 -8.463 109 HA ARG 492 HA ARG 492 -2.821 -7.027 -6.435 110 HB2 ARG 492 HB2 ARG 492 0.144 -6.955 -5.931 111 HB3 ARG 492 HB1 ARG 492 -1.101 -7.698 -4.947 112 HG2 ARG 492 HG2 ARG 492 0.054 -8.651 -7.541 113 HG3 ARG 492 HG1 ARG 492 0.070 -9.452 -5.969 114 HD2 ARG 492 HD2 ARG 492 -2.147 -9.221 -7.958 115 HD3 ARG 492 HD1 ARG 492 -1.551 -10.643 -7.108 116 HE ARG 492 HE ARG 492 -3.077 -8.524 -5.743 117 HH11 ARG 492 HH11 ARG 492 -2.472 -11.913 -6.406 118 HH12 ARG 492 HH12 ARG 492 -3.815 -12.464 -5.451 119 HH21 ARG 492 HH21 ARG 492 -4.857 -9.269 -4.493 120 HH22 ARG 492 HH22 ARG 492 -5.151 -10.973 -4.369 121 HA PRO 493 HA PRO 493 -2.177 -2.695 -5.386 122 HB2 PRO 493 HB2 PRO 493 -4.588 -2.297 -4.239 123 HB3 PRO 493 HB1 PRO 493 -4.367 -2.340 -5.988 124 HG2 PRO 493 HG2 PRO 493 -5.607 -4.327 -4.204 125 HG3 PRO 493 HG1 PRO 493 -5.843 -4.069 -5.938 126 HD2 PRO 493 HD2 PRO 493 -4.217 -6.047 -4.653 127 HD3 PRO 493 HD1 PRO 493 -4.426 -5.768 -6.392 128 H PHE 494 HN PHE 494 -0.869 -2.290 -3.686 129 HA PHE 494 HA PHE 494 -1.689 -3.354 -1.071 130 HB2 PHE 494 HB2 PHE 494 0.665 -2.943 -0.340 131 HB3 PHE 494 HB1 PHE 494 0.498 -4.165 -1.588 132 HD1 PHE 494 HD1 PHE 494 1.356 -0.563 -1.115 133 HD2 PHE 494 HD2 PHE 494 1.818 -4.075 -3.465 134 HE1 PHE 494 HE1 PHE 494 3.080 0.582 -2.470 135 HE2 PHE 494 HE2 PHE 494 3.541 -2.958 -4.812 136 HZ PHE 494 HZ PHE 494 4.170 -0.627 -4.320 137 H PHE 495 HN PHE 495 -1.908 -2.041 0.664 138 HA PHE 495 HA PHE 495 -1.965 0.836 0.089 139 HB2 PHE 495 HB2 PHE 495 -3.242 -0.587 2.436 140 HB3 PHE 495 HB1 PHE 495 -3.518 1.067 1.912 141 HD1 PHE 495 HD1 PHE 495 -4.728 1.488 -0.227 142 HD2 PHE 495 HD2 PHE 495 -4.468 -2.380 1.527 143 HE1 PHE 495 HE1 PHE 495 -6.638 0.747 -1.588 144 HE2 PHE 495 HE2 PHE 495 -6.379 -3.129 0.169 145 HZ PHE 495 HZ PHE 495 -7.467 -1.565 -1.392 146 H ILE 496 HN ILE 496 -0.330 2.001 0.860 147 HA ILE 496 HA ILE 496 1.069 1.033 3.258 148 HB ILE 496 HB ILE 496 2.157 3.050 1.316 149 HG12 ILE 496 HG12 ILE 496 2.478 0.047 1.349 150 HG13 ILE 496 HG11 ILE 496 1.962 1.072 0.013 151 HG21 ILE 496 HG21 ILE 496 3.478 1.398 3.463 152 HG22 ILE 496 HG22 ILE 496 3.103 3.119 3.554 153 HG23 ILE 496 HG23 ILE 496 4.292 2.537 2.388 154 HD11 ILE 496 HD11 ILE 496 4.192 2.007 -0.150 155 HD12 ILE 496 HD12 ILE 496 4.199 0.253 -0.337 156 HD13 ILE 496 HD13 ILE 496 4.723 0.981 1.182 157 H ASP 497 HN ASP 497 0.468 2.028 5.055 158 HA ASP 497 HA ASP 497 -0.454 4.778 4.844 159 HB2 ASP 497 HB2 ASP 497 -1.139 4.631 7.127 160 HB3 ASP 497 HB1 ASP 497 -1.664 3.158 6.325 161 H HIS 498 HN HIS 498 0.796 6.416 5.138 162 HA HIS 498 HA HIS 498 3.593 5.891 5.307 163 HB2 HIS 498 HB2 HIS 498 1.937 8.328 4.813 164 HB3 HIS 498 HB1 HIS 498 3.663 8.483 5.122 165 HD1 HIS 498 HD1 HIS 498 5.236 7.994 3.248 166 HD2 HIS 498 HD2 HIS 498 1.328 6.755 2.374 167 HE1 HIS 498 HE1 HIS 498 5.224 7.346 0.807 168 HE2 HIS 498 HE2 HIS 498 2.886 6.640 0.317 169 H ASN 499 HN ASN 499 1.306 6.501 7.688 170 HA ASN 499 HA ASN 499 3.040 8.023 9.387 171 HB2 ASN 499 HB2 ASN 499 1.309 7.649 11.143 172 HB3 ASN 499 HB1 ASN 499 0.697 8.396 9.675 173 HD21 ASN 499 HD21 ASN 499 -0.661 7.199 8.300 174 HD22 ASN 499 HD22 ASN 499 -1.472 5.770 8.871 175 H THR 500 HN THR 500 1.870 4.600 9.524 176 HA THR 500 HA THR 500 3.989 3.977 11.387 177 HB THR 500 HB THR 500 3.330 1.656 11.195 178 HG1 THR 500 HG1 THR 500 1.408 2.418 9.233 179 HG21 THR 500 HG21 THR 500 0.978 1.816 11.879 180 HG22 THR 500 HG22 THR 500 0.919 3.473 11.276 181 HG23 THR 500 HG23 THR 500 1.964 3.067 12.638 182 H LYS 501 HN LYS 501 3.610 4.157 7.988 183 HA LYS 501 HA LYS 501 4.941 3.781 6.205 184 HB2 LYS 501 HB2 LYS 501 6.677 4.839 7.820 185 HB3 LYS 501 HB1 LYS 501 7.277 3.199 8.023 186 HG2 LYS 501 HG2 LYS 501 6.930 4.104 5.238 187 HG3 LYS 501 HG1 LYS 501 8.188 4.922 6.162 188 HD2 LYS 501 HD2 LYS 501 8.165 1.995 6.421 189 HD3 LYS 501 HD1 LYS 501 8.518 2.590 4.800 190 HE2 LYS 501 HE2 LYS 501 9.930 3.584 7.260 191 HE3 LYS 501 HE1 LYS 501 10.511 2.219 6.306 192 HZ1 LYS 501 HZ1 LYS 501 11.543 4.384 5.724 193 HZ2 LYS 501 HZ2 LYS 501 10.029 4.929 5.194 194 HZ3 LYS 501 HZ3 LYS 501 10.775 3.624 4.419 195 H THR 502 HN THR 502 3.338 1.812 6.805 196 HA THR 502 HA THR 502 4.963 -0.626 6.472 197 HB THR 502 HB THR 502 2.277 -0.673 7.816 198 HG1 THR 502 HG1 THR 502 3.444 0.649 9.168 199 HG21 THR 502 HG21 THR 502 4.673 -2.509 7.916 200 HG22 THR 502 HG22 THR 502 3.183 -2.793 7.019 201 HG23 THR 502 HG23 THR 502 3.155 -2.758 8.782 202 H THR 503 HN THR 503 4.404 -1.878 4.797 203 HA THR 503 HA THR 503 2.175 -1.095 3.096 204 HB THR 503 HB THR 503 4.013 -3.420 2.569 205 HG1 THR 503 HG1 THR 503 5.576 -2.065 1.854 206 HG21 THR 503 HG21 THR 503 2.123 -3.112 1.072 207 HG22 THR 503 HG22 THR 503 3.639 -2.786 0.235 208 HG23 THR 503 HG23 THR 503 2.620 -1.449 0.767 209 H THR 504 HN THR 504 0.304 -2.295 2.897 210 HA THR 504 HA THR 504 0.299 -4.977 4.068 211 HB THR 504 HB THR 504 -0.574 -3.447 5.803 212 HG1 THR 504 HG1 THR 504 -1.806 -5.077 6.313 213 HG21 THR 504 HG21 THR 504 -1.558 -1.728 4.371 214 HG22 THR 504 HG22 THR 504 -2.763 -2.375 5.485 215 HG23 THR 504 HG23 THR 504 -2.762 -2.880 3.796 216 H TRP 505 HN TRP 505 -1.204 -6.395 3.219 217 HA TRP 505 HA TRP 505 -2.383 -5.614 0.660 218 HB2 TRP 505 HB2 TRP 505 -2.054 -8.336 1.952 219 HB3 TRP 505 HB1 TRP 505 -2.794 -8.056 0.383 220 HD1 TRP 505 HD1 TRP 505 0.428 -8.931 1.887 221 HE1 TRP 505 HE1 TRP 505 2.332 -8.703 0.164 222 HE3 TRP 505 HE3 TRP 505 -2.040 -6.253 -1.695 223 HZ2 TRP 505 HZ2 TRP 505 2.732 -7.534 -2.367 224 HZ3 TRP 505 HZ3 TRP 505 -0.823 -5.619 -3.735 225 HH2 TRP 505 HH2 TRP 505 1.511 -6.247 -4.063 226 H GLU 506 HN GLU 506 -3.232 -5.632 3.829 227 HA GLU 506 HA GLU 506 -5.817 -6.891 3.563 228 HB2 GLU 506 HB2 GLU 506 -4.463 -7.083 5.656 229 HB3 GLU 506 HB1 GLU 506 -4.719 -5.363 5.921 230 HG2 GLU 506 HG2 GLU 506 -6.250 -6.771 7.233 231 HG3 GLU 506 HG1 GLU 506 -7.096 -5.693 6.123 232 H ASP 507 HN ASP 507 -7.725 -6.040 3.601 233 HA ASP 507 HA ASP 507 -7.802 -3.371 2.520 234 HB2 ASP 507 HB2 ASP 507 -8.924 -5.077 1.235 235 HB3 ASP 507 HB1 ASP 507 -9.845 -5.589 2.642 236 HA PRO 508 HA PRO 508 -9.264 -2.153 6.610 237 HB2 PRO 508 HB2 PRO 508 -8.784 0.492 6.349 238 HB3 PRO 508 HB1 PRO 508 -7.503 -0.680 6.667 239 HG2 PRO 508 HG2 PRO 508 -8.233 0.681 4.123 240 HG3 PRO 508 HG1 PRO 508 -6.640 0.221 4.738 241 HD2 PRO 508 HD2 PRO 508 -8.088 -1.184 2.834 242 HD3 PRO 508 HD1 PRO 508 -6.755 -1.841 3.801 243 H ARG 509 HN ARG 509 -10.026 -0.008 3.861 244 HA ARG 509 HA ARG 509 -12.854 -0.296 4.245 245 HB2 ARG 509 HB2 ARG 509 -12.395 1.341 5.994 246 HB3 ARG 509 HB1 ARG 509 -11.498 2.340 4.863 247 HG2 ARG 509 HG2 ARG 509 -13.673 3.290 5.258 248 HG3 ARG 509 HG1 ARG 509 -13.564 2.727 3.590 249 HD2 ARG 509 HD2 ARG 509 -14.818 0.724 4.158 250 HD3 ARG 509 HD1 ARG 509 -14.866 1.213 5.852 251 HE ARG 509 HE ARG 509 -15.987 3.170 4.067 252 HH11 ARG 509 HH11 ARG 509 -16.687 0.213 5.816 253 HH12 ARG 509 HH12 ARG 509 -18.382 0.571 5.989 254 HH21 ARG 509 HH21 ARG 509 -18.190 3.636 4.281 255 HH22 ARG 509 HH22 ARG 509 -19.237 2.532 5.124 256 H1 ARG 925 HT1 ARG 925 -2.259 -17.438 1.886 257 H2 ARG 925 HT2 ARG 925 -0.764 -17.565 1.101 258 H3 ARG 925 HT3 ARG 925 -2.040 -16.726 0.363 259 HA ARG 925 HA ARG 925 -2.008 -15.116 2.198 260 HB2 ARG 925 HB2 ARG 925 -0.979 -16.534 3.884 261 HB3 ARG 925 HB1 ARG 925 0.480 -16.682 2.919 262 HG2 ARG 925 HG2 ARG 925 0.837 -15.153 4.754 263 HG3 ARG 925 HG1 ARG 925 0.916 -14.287 3.220 264 HD2 ARG 925 HD2 ARG 925 -1.757 -14.354 4.402 265 HD3 ARG 925 HD1 ARG 925 -0.558 -13.540 5.406 266 HE ARG 925 HE ARG 925 -0.145 -12.465 2.953 267 HH11 ARG 925 HH11 ARG 925 -2.988 -12.837 4.974 268 HH12 ARG 925 HH12 ARG 925 -3.754 -11.395 4.374 269 HH21 ARG 925 HH21 ARG 925 -1.166 -10.565 2.170 270 HH22 ARG 925 HH22 ARG 925 -2.736 -10.117 2.775 271 H LEU 926 HN LEU 926 -1.623 -13.385 1.021 272 HA LEU 926 HA LEU 926 0.334 -13.270 -1.040 273 HB2 LEU 926 HB2 LEU 926 -1.310 -11.141 0.319 274 HB3 LEU 926 HB1 LEU 926 -0.159 -10.769 -0.945 275 HG LEU 926 HG LEU 926 -1.466 -12.330 -2.446 276 HD11 LEU 926 HD11 LEU 926 -3.504 -12.091 -0.239 277 HD12 LEU 926 HD12 LEU 926 -2.669 -13.566 -0.727 278 HD13 LEU 926 HD13 LEU 926 -3.786 -12.775 -1.840 279 HD21 LEU 926 HD21 LEU 926 -1.606 -9.909 -2.607 280 HD22 LEU 926 HD22 LEU 926 -2.854 -9.886 -1.361 281 HD23 LEU 926 HD23 LEU 926 -3.174 -10.653 -2.916 282 H ASP 927 HN ASP 927 2.436 -12.944 -0.847 283 HA ASP 927 HA ASP 927 3.640 -12.414 1.690 284 HB2 ASP 927 HB2 ASP 927 4.610 -13.887 -0.118 285 HB3 ASP 927 HB1 ASP 927 4.982 -12.421 -1.019 286 H LEU 928 HN LEU 928 4.539 -10.553 2.451 287 HA LEU 928 HA LEU 928 3.810 -8.125 0.981 288 HB2 LEU 928 HB2 LEU 928 3.010 -8.599 3.354 289 HB3 LEU 928 HB1 LEU 928 4.666 -8.366 3.867 290 HG LEU 928 HG LEU 928 3.103 -6.411 4.191 291 HD11 LEU 928 HD11 LEU 928 5.518 -6.140 4.266 292 HD12 LEU 928 HD12 LEU 928 4.742 -4.738 3.529 293 HD13 LEU 928 HD13 LEU 928 5.559 -5.932 2.515 294 HD21 LEU 928 HD21 LEU 928 2.651 -4.996 2.260 295 HD22 LEU 928 HD22 LEU 928 1.902 -6.583 2.080 296 HD23 LEU 928 HD23 LEU 928 3.382 -6.200 1.199 297 HA PRO 929 HA PRO 929 8.207 -7.722 0.243 298 HB2 PRO 929 HB2 PRO 929 8.059 -5.662 -1.494 299 HB3 PRO 929 HB1 PRO 929 7.645 -7.316 -1.952 300 HG2 PRO 929 HG2 PRO 929 5.857 -5.014 -1.339 301 HG3 PRO 929 HG1 PRO 929 5.645 -6.333 -2.500 302 HD2 PRO 929 HD2 PRO 929 4.450 -6.181 0.006 303 HD3 PRO 929 HD1 PRO 929 4.618 -7.650 -0.971 304 HA PRO 930 HA PRO 930 9.260 -4.636 3.353 305 HB2 PRO 930 HB2 PRO 930 11.809 -4.824 1.801 306 HB3 PRO 930 HB1 PRO 930 11.555 -4.871 3.550 307 HG2 PRO 930 HG2 PRO 930 12.062 -7.107 2.210 308 HG3 PRO 930 HG1 PRO 930 10.866 -7.089 3.521 309 HD2 PRO 930 HD2 PRO 930 10.446 -7.153 0.572 310 HD3 PRO 930 HD1 PRO 930 9.500 -7.918 1.865 311 H TYR 931 HN TYR 931 9.199 -2.416 3.274 312 HA TYR 931 HA TYR 931 8.485 -1.386 0.680 313 HB2 TYR 931 HB2 TYR 931 7.166 -0.861 2.671 314 HB3 TYR 931 HB1 TYR 931 8.560 -0.105 3.419 315 HD1 TYR 931 HD2 TYR 931 7.718 0.449 -0.142 316 HD2 TYR 931 HD1 TYR 931 7.442 1.963 3.823 317 HE1 TYR 931 HE2 TYR 931 6.984 2.625 -1.022 318 HE2 TYR 931 HE1 TYR 931 6.709 4.130 2.962 319 HH TYR 931 HH TYR 931 5.523 4.613 -0.018 320 H GLU 932 HN GLU 932 9.950 -0.700 -0.659 321 HA GLU 932 HA GLU 932 12.079 1.099 0.283 322 HB2 GLU 932 HB2 GLU 932 12.418 -1.006 -1.340 323 HB3 GLU 932 HB1 GLU 932 11.876 0.143 -2.553 324 HG2 GLU 932 HG2 GLU 932 14.226 0.561 -0.718 325 HG3 GLU 932 HG1 GLU 932 14.330 -0.032 -2.373 326 H THR 933 HN THR 933 11.774 3.293 -0.210 327 HA THR 933 HA THR 933 9.185 4.076 -0.870 328 HB THR 933 HB THR 933 11.609 5.842 -1.216 329 HG1 THR 933 HG1 THR 933 11.384 6.289 1.000 330 HG21 THR 933 HG21 THR 933 9.516 6.770 -2.071 331 HG22 THR 933 HG22 THR 933 9.993 7.613 -0.596 332 HG23 THR 933 HG23 THR 933 8.709 6.404 -0.547 333 H PHE 934 HN PHE 934 8.162 4.064 -2.612 334 HA PHE 934 HA PHE 934 9.433 3.778 -5.202 335 HB2 PHE 934 HB2 PHE 934 7.285 3.044 -6.000 336 HB3 PHE 934 HB1 PHE 934 7.545 2.260 -4.442 337 HD1 PHE 934 HD2 PHE 934 5.730 4.807 -6.247 338 HD2 PHE 934 HD1 PHE 934 6.172 2.833 -2.517 339 HE1 PHE 934 HE2 PHE 934 3.672 5.867 -5.461 340 HE2 PHE 934 HE1 PHE 934 4.124 3.901 -1.722 341 HZ PHE 934 HZ PHE 934 2.902 5.431 -3.198 342 H GLU 935 HN GLU 935 7.802 4.974 -6.948 343 HA GLU 935 HA GLU 935 8.659 7.575 -7.099 344 HB2 GLU 935 HB2 GLU 935 6.829 7.910 -8.736 345 HB3 GLU 935 HB1 GLU 935 7.716 6.416 -8.994 346 HG2 GLU 935 HG2 GLU 935 5.205 6.351 -7.351 347 HG3 GLU 935 HG1 GLU 935 5.099 6.472 -9.118 348 H ASP 936 HN ASP 936 7.299 9.561 -7.244 349 HA ASP 936 HA ASP 936 6.476 10.367 -4.722 350 HB2 ASP 936 HB2 ASP 936 7.199 11.919 -6.469 351 HB3 ASP 936 HB1 ASP 936 5.750 11.563 -7.403 352 H LEU 937 HN LEU 937 4.760 9.899 -3.575 353 HA LEU 937 HA LEU 937 2.357 8.899 -4.850 354 HB2 LEU 937 HB2 LEU 937 1.604 8.226 -2.667 355 HB3 LEU 937 HB1 LEU 937 3.252 7.700 -2.898 356 HG LEU 937 HG LEU 937 3.108 8.348 -0.661 357 HD11 LEU 937 HD11 LEU 937 5.120 9.203 -1.640 358 HD12 LEU 937 HD12 LEU 937 4.535 10.315 -0.402 359 HD13 LEU 937 HD13 LEU 937 4.301 10.691 -2.109 360 HD21 LEU 937 HD21 LEU 937 2.189 10.455 0.147 361 HD22 LEU 937 HD22 LEU 937 0.986 9.495 -0.715 362 HD23 LEU 937 HD23 LEU 937 1.733 10.887 -1.501 363 HN1 NH2 938 H1 LEU 937 3.513 11.744 -3.292 364 HN2 NH2 938 H2 LEU 937 2.046 12.652 -3.379 Start of MODEL 14 1 H PHE 478 HT1 PHE 478 -11.698 8.590 -0.918 2 HA PHE 478 HA PHE 478 -10.674 6.093 -2.135 3 HB2 PHE 478 HB2 PHE 478 -9.578 8.911 -2.099 4 HB3 PHE 478 HB1 PHE 478 -8.611 7.513 -2.527 5 HD1 PHE 478 HD1 PHE 478 -9.530 6.029 -4.447 6 HD2 PHE 478 HD2 PHE 478 -10.733 10.051 -3.745 7 HE1 PHE 478 HE1 PHE 478 -10.286 6.207 -6.781 8 HE2 PHE 478 HE2 PHE 478 -11.493 10.233 -6.076 9 HZ PHE 478 HZ PHE 478 -11.272 8.309 -7.598 10 H LEU 479 HN LEU 479 -8.187 6.101 -1.245 11 HA LEU 479 HA LEU 479 -8.351 5.345 1.458 12 HB2 LEU 479 HB2 LEU 479 -6.431 5.325 -0.674 13 HB3 LEU 479 HB1 LEU 479 -5.656 5.869 0.801 14 HG LEU 479 HG LEU 479 -6.393 3.812 1.942 15 HD11 LEU 479 HD11 LEU 479 -8.412 3.392 0.610 16 HD12 LEU 479 HD12 LEU 479 -7.352 1.982 0.671 17 HD13 LEU 479 HD13 LEU 479 -7.398 2.988 -0.778 18 HD21 LEU 479 HD21 LEU 479 -4.964 3.223 -0.646 19 HD22 LEU 479 HD22 LEU 479 -4.852 2.317 0.866 20 HD23 LEU 479 HD23 LEU 479 -4.208 3.954 0.767 21 HA PRO 480 HA PRO 480 -7.690 8.942 4.078 22 HB2 PRO 480 HB2 PRO 480 -5.541 7.072 5.024 23 HB3 PRO 480 HB1 PRO 480 -6.620 8.076 5.991 24 HG2 PRO 480 HG2 PRO 480 -7.166 5.527 5.725 25 HG3 PRO 480 HG1 PRO 480 -8.477 6.710 5.538 26 HD2 PRO 480 HD2 PRO 480 -7.036 5.133 3.460 27 HD3 PRO 480 HD1 PRO 480 -8.732 5.657 3.507 28 HA PRO 481 HA PRO 481 -4.641 11.481 2.345 29 HB2 PRO 481 HB2 PRO 481 -3.491 12.707 4.530 30 HB3 PRO 481 HB1 PRO 481 -5.040 13.155 3.809 31 HG2 PRO 481 HG2 PRO 481 -4.490 11.415 6.181 32 HG3 PRO 481 HG1 PRO 481 -5.733 12.664 5.971 33 HD2 PRO 481 HD2 PRO 481 -6.346 10.078 5.757 34 HD3 PRO 481 HD1 PRO 481 -7.075 11.276 4.665 35 H GLY 482 HN GLY 482 -3.376 9.221 4.717 36 HA2 GLY 482 HA2 GLY 482 -0.768 9.475 3.344 37 HA3 GLY 482 HA1 GLY 482 -0.885 9.059 5.040 38 H TRP 483 HN TRP 483 -3.407 7.676 3.456 39 HA TRP 483 HA TRP 483 -2.006 5.128 3.173 40 HB2 TRP 483 HB2 TRP 483 -4.923 5.864 3.364 41 HB3 TRP 483 HB1 TRP 483 -4.412 4.287 2.777 42 HD1 TRP 483 HD1 TRP 483 -4.107 6.460 5.963 43 HE1 TRP 483 HE1 TRP 483 -3.943 4.885 7.978 44 HE3 TRP 483 HE3 TRP 483 -3.902 1.998 3.470 45 HZ2 TRP 483 HZ2 TRP 483 -3.734 2.103 8.454 46 HZ3 TRP 483 HZ3 TRP 483 -3.721 -0.070 4.778 47 HH2 TRP 483 HH2 TRP 483 -3.633 -0.020 7.221 48 H GLU 484 HN GLU 484 -1.220 4.755 1.271 49 HA GLU 484 HA GLU 484 -2.458 6.065 -1.042 50 HB2 GLU 484 HB2 GLU 484 0.396 5.875 -0.139 51 HB3 GLU 484 HB1 GLU 484 0.014 6.128 -1.838 52 HG2 GLU 484 HG2 GLU 484 -1.018 8.168 -1.428 53 HG3 GLU 484 HG1 GLU 484 -1.179 7.860 0.292 54 H MET 485 HN MET 485 -3.019 4.763 -2.638 55 HA MET 485 HA MET 485 -2.350 1.916 -2.313 56 HB2 MET 485 HB2 MET 485 -4.719 2.626 -2.089 57 HB3 MET 485 HB1 MET 485 -4.680 3.224 -3.739 58 HG2 MET 485 HG2 MET 485 -4.077 0.362 -3.120 59 HG3 MET 485 HG1 MET 485 -5.733 0.935 -3.255 60 HE1 MET 485 HE1 MET 485 -5.827 2.269 -6.944 61 HE2 MET 485 HE2 MET 485 -5.433 3.189 -5.491 62 HE3 MET 485 HE3 MET 485 -6.754 2.021 -5.462 63 H ARG 486 HN ARG 486 -1.175 0.892 -3.825 64 HA ARG 486 HA ARG 486 -1.247 1.815 -6.589 65 HB2 ARG 486 HB2 ARG 486 1.049 2.132 -6.875 66 HB3 ARG 486 HB1 ARG 486 0.725 2.910 -5.331 67 HG2 ARG 486 HG2 ARG 486 1.745 1.215 -4.119 68 HG3 ARG 486 HG1 ARG 486 1.631 0.065 -5.451 69 HD2 ARG 486 HD2 ARG 486 3.350 2.537 -5.474 70 HD3 ARG 486 HD1 ARG 486 3.919 0.930 -5.040 71 HE ARG 486 HE ARG 486 3.683 0.250 -7.279 72 HH11 ARG 486 HH11 ARG 486 2.846 3.622 -6.832 73 HH12 ARG 486 HH12 ARG 486 3.087 4.043 -8.501 74 HH21 ARG 486 HH21 ARG 486 4.034 0.811 -9.469 75 HH22 ARG 486 HH22 ARG 486 3.811 2.456 -9.985 76 H ILE 487 HN ILE 487 -0.576 0.231 -8.089 77 HA ILE 487 HA ILE 487 -0.521 -2.466 -6.945 78 HB ILE 487 HB ILE 487 -2.544 -2.196 -8.181 79 HG12 ILE 487 HG12 ILE 487 -0.577 -3.724 -9.901 80 HG13 ILE 487 HG11 ILE 487 -1.378 -4.355 -8.466 81 HG21 ILE 487 HG21 ILE 487 -0.860 -1.256 -10.489 82 HG22 ILE 487 HG22 ILE 487 -1.943 -0.269 -9.508 83 HG23 ILE 487 HG23 ILE 487 -2.599 -1.545 -10.532 84 HD11 ILE 487 HD11 ILE 487 -3.542 -4.113 -9.575 85 HD12 ILE 487 HD12 ILE 487 -2.448 -5.151 -10.490 86 HD13 ILE 487 HD13 ILE 487 -2.732 -3.490 -11.010 87 H ALA 488 HN ALA 488 0.971 -3.885 -7.507 88 HA ALA 488 HA ALA 488 3.286 -2.908 -8.967 89 HB1 ALA 488 HB1 ALA 488 4.194 -5.211 -8.258 90 HB2 ALA 488 HB2 ALA 488 2.754 -5.312 -7.244 91 HB3 ALA 488 HB3 ALA 488 3.918 -4.012 -7.001 92 HA PRO 489 HA PRO 489 2.382 -4.896 -12.838 93 HB2 PRO 489 HB2 PRO 489 5.197 -5.857 -12.772 94 HB3 PRO 489 HB1 PRO 489 4.350 -4.933 -14.018 95 HG2 PRO 489 HG2 PRO 489 6.107 -3.735 -12.427 96 HG3 PRO 489 HG1 PRO 489 4.596 -2.920 -12.873 97 HD2 PRO 489 HD2 PRO 489 5.326 -4.295 -10.317 98 HD3 PRO 489 HD1 PRO 489 4.426 -2.785 -10.566 99 H ASN 490 HN ASN 490 3.392 -6.629 -10.102 100 HA ASN 490 HA ASN 490 3.230 -9.271 -11.195 101 HB2 ASN 490 HB2 ASN 490 4.513 -8.873 -9.172 102 HB3 ASN 490 HB1 ASN 490 3.095 -8.240 -8.348 103 HD21 ASN 490 HD21 ASN 490 4.705 -11.089 -9.513 104 HD22 ASN 490 HD22 ASN 490 3.758 -12.232 -8.619 105 H GLY 491 HN GLY 491 0.966 -6.892 -10.505 106 HA2 GLY 491 HA2 GLY 491 -1.342 -7.052 -10.928 107 HA3 GLY 491 HA1 GLY 491 -1.228 -8.799 -10.765 108 H ARG 492 HN ARG 492 -0.004 -6.396 -8.493 109 HA ARG 492 HA ARG 492 -2.021 -7.289 -6.560 110 HB2 ARG 492 HB2 ARG 492 -0.234 -7.345 -4.819 111 HB3 ARG 492 HB1 ARG 492 -0.127 -8.619 -6.005 112 HG2 ARG 492 HG2 ARG 492 1.608 -7.256 -7.189 113 HG3 ARG 492 HG1 ARG 492 1.581 -6.156 -5.809 114 HD2 ARG 492 HD2 ARG 492 2.064 -8.146 -4.351 115 HD3 ARG 492 HD1 ARG 492 2.333 -9.069 -5.826 116 HE ARG 492 HE ARG 492 3.923 -6.700 -5.758 117 HH11 ARG 492 HH11 ARG 492 3.697 -9.980 -4.589 118 HH12 ARG 492 HH12 ARG 492 5.396 -10.142 -4.278 119 HH21 ARG 492 HH21 ARG 492 6.175 -6.885 -5.367 120 HH22 ARG 492 HH22 ARG 492 6.817 -8.374 -4.723 121 HA PRO 493 HA PRO 493 -1.898 -2.865 -5.674 122 HB2 PRO 493 HB2 PRO 493 -4.534 -2.967 -4.700 123 HB3 PRO 493 HB1 PRO 493 -4.023 -2.431 -6.299 124 HG2 PRO 493 HG2 PRO 493 -5.548 -4.711 -5.722 125 HG3 PRO 493 HG1 PRO 493 -4.760 -4.338 -7.263 126 HD2 PRO 493 HD2 PRO 493 -3.880 -6.147 -5.076 127 HD3 PRO 493 HD1 PRO 493 -3.628 -6.280 -6.825 128 H PHE 494 HN PHE 494 -0.795 -2.397 -3.905 129 HA PHE 494 HA PHE 494 -1.724 -3.521 -1.354 130 HB2 PHE 494 HB2 PHE 494 0.637 -3.231 -0.553 131 HB3 PHE 494 HB1 PHE 494 0.433 -4.447 -1.803 132 HD1 PHE 494 HD2 PHE 494 1.792 -1.123 -1.026 133 HD2 PHE 494 HD1 PHE 494 1.471 -4.188 -3.967 134 HE1 PHE 494 HE2 PHE 494 3.623 -0.070 -2.315 135 HE2 PHE 494 HE1 PHE 494 3.300 -3.161 -5.227 136 HZ PHE 494 HZ PHE 494 4.373 -1.107 -4.417 137 H PHE 495 HN PHE 495 -1.972 -2.187 0.373 138 HA PHE 495 HA PHE 495 -2.142 0.648 -0.257 139 HB2 PHE 495 HB2 PHE 495 -2.943 -0.652 2.345 140 HB3 PHE 495 HB1 PHE 495 -3.511 0.868 1.665 141 HD1 PHE 495 HD1 PHE 495 -4.922 0.777 -0.453 142 HD2 PHE 495 HD2 PHE 495 -4.093 -2.639 1.941 143 HE1 PHE 495 HE1 PHE 495 -6.844 -0.384 -1.455 144 HE2 PHE 495 HE2 PHE 495 -6.011 -3.808 0.944 145 HZ PHE 495 HZ PHE 495 -7.390 -2.684 -0.757 146 H ILE 496 HN ILE 496 -0.553 1.971 0.211 147 HA ILE 496 HA ILE 496 1.480 1.196 2.176 148 HB ILE 496 HB ILE 496 1.525 3.514 0.215 149 HG12 ILE 496 HG12 ILE 496 3.434 1.914 -0.743 150 HG13 ILE 496 HG11 ILE 496 2.407 0.671 -0.040 151 HG21 ILE 496 HG21 ILE 496 2.933 3.868 2.164 152 HG22 ILE 496 HG22 ILE 496 3.927 3.582 0.736 153 HG23 ILE 496 HG23 ILE 496 3.703 2.299 1.924 154 HD11 ILE 496 HD11 ILE 496 0.530 1.460 -1.384 155 HD12 ILE 496 HD12 ILE 496 1.909 1.001 -2.387 156 HD13 ILE 496 HD13 ILE 496 1.564 2.704 -2.087 157 H ASP 497 HN ASP 497 0.746 1.860 4.223 158 HA ASP 497 HA ASP 497 -0.107 4.645 4.352 159 HB2 ASP 497 HB2 ASP 497 -0.720 4.373 6.567 160 HB3 ASP 497 HB1 ASP 497 -1.154 2.828 5.844 161 H HIS 498 HN HIS 498 1.210 6.195 4.595 162 HA HIS 498 HA HIS 498 4.015 5.540 4.590 163 HB2 HIS 498 HB2 HIS 498 2.528 8.127 4.150 164 HB3 HIS 498 HB1 HIS 498 4.285 8.031 4.171 165 HD1 HIS 498 HD1 HIS 498 5.444 7.047 2.097 166 HD2 HIS 498 HD2 HIS 498 1.284 6.953 1.859 167 HE1 HIS 498 HE1 HIS 498 4.887 6.459 -0.285 168 HE2 HIS 498 HE2 HIS 498 2.413 6.720 -0.424 169 H ASN 499 HN ASN 499 1.826 6.246 7.009 170 HA ASN 499 HA ASN 499 3.587 7.883 8.589 171 HB2 ASN 499 HB2 ASN 499 1.842 7.612 10.374 172 HB3 ASN 499 HB1 ASN 499 1.270 8.328 8.874 173 HD21 ASN 499 HD21 ASN 499 -0.095 7.139 7.529 174 HD22 ASN 499 HD22 ASN 499 -0.952 5.751 8.109 175 H THR 500 HN THR 500 2.361 4.497 8.960 176 HA THR 500 HA THR 500 4.389 4.046 10.972 177 HB THR 500 HB THR 500 3.661 1.736 11.056 178 HG1 THR 500 HG1 THR 500 1.997 2.445 8.839 179 HG21 THR 500 HG21 THR 500 1.333 2.086 11.738 180 HG22 THR 500 HG22 THR 500 1.332 3.651 10.925 181 HG23 THR 500 HG23 THR 500 2.379 3.381 12.318 182 H LYS 501 HN LYS 501 4.243 3.996 7.602 183 HA LYS 501 HA LYS 501 5.827 3.640 6.013 184 HB2 LYS 501 HB2 LYS 501 7.424 4.513 7.723 185 HB3 LYS 501 HB1 LYS 501 7.666 2.870 8.296 186 HG2 LYS 501 HG2 LYS 501 8.502 2.270 6.032 187 HG3 LYS 501 HG1 LYS 501 8.386 3.973 5.589 188 HD2 LYS 501 HD2 LYS 501 9.908 3.245 8.041 189 HD3 LYS 501 HD1 LYS 501 10.642 2.916 6.473 190 HE2 LYS 501 HE2 LYS 501 11.363 5.075 7.252 191 HE3 LYS 501 HE1 LYS 501 10.307 5.282 5.858 192 HZ1 LYS 501 HZ1 LYS 501 9.890 6.860 7.696 193 HZ2 LYS 501 HZ2 LYS 501 9.404 5.564 8.676 194 HZ3 LYS 501 HZ3 LYS 501 8.529 5.947 7.271 195 H THR 502 HN THR 502 3.942 1.678 6.479 196 HA THR 502 HA THR 502 5.492 -0.680 5.716 197 HB THR 502 HB THR 502 4.933 -0.966 8.111 198 HG1 THR 502 HG1 THR 502 3.454 -2.823 6.558 199 HG21 THR 502 HG21 THR 502 2.785 0.199 8.174 200 HG22 THR 502 HG22 THR 502 2.616 -1.460 8.749 201 HG23 THR 502 HG23 THR 502 2.082 -1.032 7.124 202 H THR 503 HN THR 503 4.494 -2.128 4.420 203 HA THR 503 HA THR 503 2.209 -1.158 2.907 204 HB THR 503 HB THR 503 2.788 -3.391 1.622 205 HG1 THR 503 HG1 THR 503 5.004 -3.936 1.882 206 HG21 THR 503 HG21 THR 503 3.056 -1.184 0.661 207 HG22 THR 503 HG22 THR 503 4.486 -2.158 0.311 208 HG23 THR 503 HG23 THR 503 4.538 -0.938 1.582 209 H THR 504 HN THR 504 0.270 -2.388 2.648 210 HA THR 504 HA THR 504 0.008 -4.836 4.198 211 HB THR 504 HB THR 504 -0.617 -3.066 5.802 212 HG1 THR 504 HG1 THR 504 -1.906 -4.606 6.453 213 HG21 THR 504 HG21 THR 504 -2.802 -2.419 3.816 214 HG22 THR 504 HG22 THR 504 -1.436 -1.385 4.229 215 HG23 THR 504 HG23 THR 504 -2.660 -1.753 5.444 216 H TRP 505 HN TRP 505 -1.720 -6.147 3.573 217 HA TRP 505 HA TRP 505 -2.793 -5.555 0.916 218 HB2 TRP 505 HB2 TRP 505 -2.870 -8.106 2.547 219 HB3 TRP 505 HB1 TRP 505 -3.485 -7.930 0.910 220 HD1 TRP 505 HD1 TRP 505 -0.488 -8.993 2.743 221 HE1 TRP 505 HE1 TRP 505 1.500 -9.284 1.134 222 HE3 TRP 505 HE3 TRP 505 -2.397 -6.598 -1.345 223 HZ2 TRP 505 HZ2 TRP 505 2.177 -8.568 -1.508 224 HZ3 TRP 505 HZ3 TRP 505 -1.017 -6.442 -3.371 225 HH2 TRP 505 HH2 TRP 505 1.224 -7.413 -3.454 226 H GLU 506 HN GLU 506 -3.697 -5.008 4.021 227 HA GLU 506 HA GLU 506 -6.408 -6.058 3.758 228 HB2 GLU 506 HB2 GLU 506 -4.911 -6.399 5.832 229 HB3 GLU 506 HB1 GLU 506 -5.307 -4.727 6.209 230 HG2 GLU 506 HG2 GLU 506 -6.795 -6.171 7.403 231 HG3 GLU 506 HG1 GLU 506 -7.703 -5.321 6.151 232 H ASP 507 HN ASP 507 -8.177 -4.992 3.725 233 HA ASP 507 HA ASP 507 -7.974 -2.281 2.887 234 HB2 ASP 507 HB2 ASP 507 -9.488 -3.762 1.705 235 HB3 ASP 507 HB1 ASP 507 -10.353 -4.119 3.196 236 HA PRO 508 HA PRO 508 -8.557 -1.078 7.145 237 HB2 PRO 508 HB2 PRO 508 -7.635 1.404 6.980 238 HB3 PRO 508 HB1 PRO 508 -6.563 0.019 6.723 239 HG2 PRO 508 HG2 PRO 508 -7.883 1.790 4.696 240 HG3 PRO 508 HG1 PRO 508 -6.213 1.195 4.737 241 HD2 PRO 508 HD2 PRO 508 -8.239 0.060 3.248 242 HD3 PRO 508 HD1 PRO 508 -6.784 -0.801 3.779 243 H ARG 509 HN ARG 509 -10.269 0.410 4.501 244 HA ARG 509 HA ARG 509 -12.078 1.643 6.449 245 HB2 ARG 509 HB2 ARG 509 -10.650 3.445 5.692 246 HB3 ARG 509 HB1 ARG 509 -10.945 3.022 4.011 247 HG2 ARG 509 HG2 ARG 509 -12.201 5.011 4.773 248 HG3 ARG 509 HG1 ARG 509 -13.232 3.713 4.170 249 HD2 ARG 509 HD2 ARG 509 -14.208 4.645 6.166 250 HD3 ARG 509 HD1 ARG 509 -13.648 3.008 6.499 251 HE ARG 509 HE ARG 509 -11.779 5.113 7.193 252 HH11 ARG 509 HH11 ARG 509 -14.340 2.982 8.265 253 HH12 ARG 509 HH12 ARG 509 -14.001 3.206 9.954 254 HH21 ARG 509 HH21 ARG 509 -11.317 5.401 9.412 255 HH22 ARG 509 HH22 ARG 509 -12.272 4.570 10.604 256 H1 ARG 925 HT1 ARG 925 -3.667 -14.858 1.777 257 H2 ARG 925 HT2 ARG 925 -4.584 -13.763 2.678 258 H3 ARG 925 HT3 ARG 925 -3.253 -14.541 3.389 259 HA ARG 925 HA ARG 925 -3.206 -12.520 1.221 260 HB2 ARG 925 HB2 ARG 925 -2.286 -12.525 4.099 261 HB3 ARG 925 HB1 ARG 925 -1.675 -11.365 2.933 262 HG2 ARG 925 HG2 ARG 925 -3.380 -10.263 4.111 263 HG3 ARG 925 HG1 ARG 925 -4.080 -10.678 2.546 264 HD2 ARG 925 HD2 ARG 925 -5.179 -12.615 3.557 265 HD3 ARG 925 HD1 ARG 925 -4.468 -12.208 5.117 266 HE ARG 925 HE ARG 925 -5.781 -9.971 4.617 267 HH11 ARG 925 HH11 ARG 925 -6.823 -13.285 4.145 268 HH12 ARG 925 HH12 ARG 925 -8.505 -12.927 4.428 269 HH21 ARG 925 HH21 ARG 925 -7.980 -9.501 5.012 270 HH22 ARG 925 HH22 ARG 925 -9.155 -10.778 4.914 271 H LEU 926 HN LEU 926 -1.535 -12.637 -0.148 272 HA LEU 926 HA LEU 926 0.391 -14.747 0.173 273 HB2 LEU 926 HB2 LEU 926 1.235 -13.965 -2.043 274 HB3 LEU 926 HB1 LEU 926 -0.453 -14.426 -2.025 275 HG LEU 926 HG LEU 926 -0.857 -11.849 -1.714 276 HD11 LEU 926 HD11 LEU 926 1.855 -11.900 -3.029 277 HD12 LEU 926 HD12 LEU 926 1.482 -11.236 -1.438 278 HD13 LEU 926 HD13 LEU 926 0.802 -10.492 -2.886 279 HD21 LEU 926 HD21 LEU 926 -0.007 -13.065 -4.338 280 HD22 LEU 926 HD22 LEU 926 -0.985 -11.610 -4.142 281 HD23 LEU 926 HD23 LEU 926 -1.611 -13.171 -3.613 282 H ASP 927 HN ASP 927 2.745 -14.041 -0.613 283 HA ASP 927 HA ASP 927 3.886 -12.813 1.616 284 HB2 ASP 927 HB2 ASP 927 4.877 -13.809 -0.983 285 HB3 ASP 927 HB1 ASP 927 5.907 -12.643 -0.159 286 H LEU 928 HN LEU 928 4.026 -10.822 2.192 287 HA LEU 928 HA LEU 928 3.501 -8.627 0.385 288 HB2 LEU 928 HB2 LEU 928 2.547 -8.613 2.624 289 HB3 LEU 928 HB1 LEU 928 4.139 -8.766 3.334 290 HG LEU 928 HG LEU 928 4.685 -6.514 2.328 291 HD11 LEU 928 HD11 LEU 928 1.701 -6.452 1.911 292 HD12 LEU 928 HD12 LEU 928 2.930 -6.448 0.647 293 HD13 LEU 928 HD13 LEU 928 2.794 -5.078 1.749 294 HD21 LEU 928 HD21 LEU 928 3.518 -5.289 4.091 295 HD22 LEU 928 HD22 LEU 928 4.186 -6.809 4.687 296 HD23 LEU 928 HD23 LEU 928 2.461 -6.676 4.352 297 HA PRO 929 HA PRO 929 7.900 -7.975 -0.313 298 HB2 PRO 929 HB2 PRO 929 7.641 -5.622 -1.667 299 HB3 PRO 929 HB1 PRO 929 7.397 -7.203 -2.418 300 HG2 PRO 929 HG2 PRO 929 5.369 -5.249 -1.406 301 HG3 PRO 929 HG1 PRO 929 5.339 -6.241 -2.874 302 HD2 PRO 929 HD2 PRO 929 3.960 -6.893 -0.635 303 HD3 PRO 929 HD1 PRO 929 4.610 -8.107 -1.756 304 HA PRO 930 HA PRO 930 8.730 -5.363 3.271 305 HB2 PRO 930 HB2 PRO 930 11.371 -4.906 2.432 306 HB3 PRO 930 HB1 PRO 930 10.838 -6.183 3.526 307 HG2 PRO 930 HG2 PRO 930 11.417 -6.303 0.608 308 HG3 PRO 930 HG1 PRO 930 11.679 -7.531 1.859 309 HD2 PRO 930 HD2 PRO 930 9.657 -7.724 0.112 310 HD3 PRO 930 HD1 PRO 930 9.468 -8.236 1.803 311 H TYR 931 HN TYR 931 8.596 -3.155 3.504 312 HA TYR 931 HA TYR 931 7.695 -1.741 1.269 313 HB2 TYR 931 HB2 TYR 931 6.916 -1.091 3.429 314 HB3 TYR 931 HB1 TYR 931 8.552 -0.805 4.007 315 HD1 TYR 931 HD1 TYR 931 6.038 0.475 1.548 316 HD2 TYR 931 HD2 TYR 931 9.479 1.336 3.900 317 HE1 TYR 931 HE1 TYR 931 5.844 2.844 0.956 318 HE2 TYR 931 HE2 TYR 931 9.289 3.712 3.306 319 HH TYR 931 HH TYR 931 8.322 5.098 1.551 320 H GLU 932 HN GLU 932 8.795 -1.081 -0.352 321 HA GLU 932 HA GLU 932 11.349 0.320 0.035 322 HB2 GLU 932 HB2 GLU 932 11.590 0.093 -2.426 323 HB3 GLU 932 HB1 GLU 932 11.443 -1.474 -1.642 324 HG2 GLU 932 HG2 GLU 932 9.124 -1.630 -2.311 325 HG3 GLU 932 HG1 GLU 932 9.192 -0.014 -3.013 326 H THR 933 HN THR 933 11.425 2.564 -0.750 327 HA THR 933 HA THR 933 8.723 3.614 -0.973 328 HB THR 933 HB THR 933 11.227 5.294 -0.963 329 HG1 THR 933 HG1 THR 933 10.911 4.001 1.000 330 HG21 THR 933 HG21 THR 933 9.306 6.445 -1.862 331 HG22 THR 933 HG22 THR 933 9.557 7.027 -0.215 332 HG23 THR 933 HG23 THR 933 8.275 5.856 -0.558 333 H PHE 934 HN PHE 934 7.801 3.851 -2.696 334 HA PHE 934 HA PHE 934 9.172 4.137 -5.259 335 HB2 PHE 934 HB2 PHE 934 7.106 3.360 -6.250 336 HB3 PHE 934 HB1 PHE 934 7.457 2.290 -4.892 337 HD1 PHE 934 HD2 PHE 934 6.265 2.679 -2.699 338 HD2 PHE 934 HD1 PHE 934 5.179 4.593 -6.329 339 HE1 PHE 934 HE2 PHE 934 4.131 3.359 -1.701 340 HE2 PHE 934 HE1 PHE 934 3.046 5.276 -5.340 341 HZ PHE 934 HZ PHE 934 2.552 4.674 -3.036 342 H GLU 935 HN GLU 935 7.437 5.568 -6.746 343 HA GLU 935 HA GLU 935 7.933 8.205 -6.122 344 HB2 GLU 935 HB2 GLU 935 6.072 8.754 -7.684 345 HB3 GLU 935 HB1 GLU 935 7.202 7.568 -8.321 346 HG2 GLU 935 HG2 GLU 935 4.847 6.448 -6.906 347 HG3 GLU 935 HG1 GLU 935 4.522 7.312 -8.421 348 H ASP 936 HN ASP 936 6.926 9.836 -5.036 349 HA ASP 936 HA ASP 936 5.116 9.158 -2.940 350 HB2 ASP 936 HB2 ASP 936 5.190 11.540 -2.374 351 HB3 ASP 936 HB1 ASP 936 6.811 10.925 -2.674 352 H LEU 937 HN LEU 937 2.937 9.409 -2.804 353 HA LEU 937 HA LEU 937 1.556 9.802 -5.320 354 HB2 LEU 937 HB2 LEU 937 0.552 9.061 -2.576 355 HB3 LEU 937 HB1 LEU 937 -0.463 9.141 -4.010 356 HG LEU 937 HG LEU 937 1.361 7.041 -3.054 357 HD11 LEU 937 HD11 LEU 937 -1.051 6.755 -3.221 358 HD12 LEU 937 HD12 LEU 937 -0.217 5.634 -4.298 359 HD13 LEU 937 HD13 LEU 937 -0.995 7.076 -4.953 360 HD21 LEU 937 HD21 LEU 937 2.667 7.807 -4.989 361 HD22 LEU 937 HD22 LEU 937 1.237 7.695 -6.016 362 HD23 LEU 937 HD23 LEU 937 1.932 6.235 -5.309 363 HN1 NH2 938 H1 LEU 937 2.262 12.113 -5.297 364 HN2 NH2 938 H2 LEU 937 1.200 13.259 -4.559 Start of MODEL 15 1 H PHE 478 HT1 PHE 478 -7.879 9.636 -2.332 2 HA PHE 478 HA PHE 478 -10.790 9.442 -1.830 3 HB2 PHE 478 HB2 PHE 478 -9.017 7.741 -3.601 4 HB3 PHE 478 HB1 PHE 478 -10.749 7.539 -3.360 5 HD1 PHE 478 HD1 PHE 478 -12.238 9.563 -4.012 6 HD2 PHE 478 HD2 PHE 478 -8.246 9.003 -5.374 7 HE1 PHE 478 HE1 PHE 478 -12.674 11.078 -5.905 8 HE2 PHE 478 HE2 PHE 478 -8.674 10.515 -7.267 9 HZ PHE 478 HZ PHE 478 -10.893 11.554 -7.532 10 H LEU 479 HN LEU 479 -7.572 8.439 -1.099 11 HA LEU 479 HA LEU 479 -8.599 6.487 0.853 12 HB2 LEU 479 HB2 LEU 479 -6.628 6.181 -1.042 13 HB3 LEU 479 HB1 LEU 479 -5.692 6.657 0.360 14 HG LEU 479 HG LEU 479 -6.779 4.757 1.618 15 HD11 LEU 479 HD11 LEU 479 -8.712 4.526 0.068 16 HD12 LEU 479 HD12 LEU 479 -7.864 3.009 0.378 17 HD13 LEU 479 HD13 LEU 479 -7.607 3.870 -1.144 18 HD21 LEU 479 HD21 LEU 479 -5.351 3.056 0.654 19 HD22 LEU 479 HD22 LEU 479 -4.514 4.609 0.676 20 HD23 LEU 479 HD23 LEU 479 -5.196 3.994 -0.831 21 HA PRO 480 HA PRO 480 -7.726 9.095 4.361 22 HB2 PRO 480 HB2 PRO 480 -5.758 6.960 5.105 23 HB3 PRO 480 HB1 PRO 480 -6.945 7.790 6.120 24 HG2 PRO 480 HG2 PRO 480 -7.450 5.354 5.216 25 HG3 PRO 480 HG1 PRO 480 -8.732 6.581 5.238 26 HD2 PRO 480 HD2 PRO 480 -7.195 5.483 2.943 27 HD3 PRO 480 HD1 PRO 480 -8.860 6.091 3.001 28 HA PRO 481 HA PRO 481 -4.558 11.823 3.451 29 HB2 PRO 481 HB2 PRO 481 -3.521 12.517 5.912 30 HB3 PRO 481 HB1 PRO 481 -5.025 13.139 5.229 31 HG2 PRO 481 HG2 PRO 481 -4.612 10.909 7.181 32 HG3 PRO 481 HG1 PRO 481 -5.836 12.193 7.190 33 HD2 PRO 481 HD2 PRO 481 -6.451 9.733 6.382 34 HD3 PRO 481 HD1 PRO 481 -7.113 11.154 5.544 35 H GLY 482 HN GLY 482 -3.480 9.010 5.167 36 HA2 GLY 482 HA2 GLY 482 -0.837 9.450 3.938 37 HA3 GLY 482 HA1 GLY 482 -0.947 8.823 5.570 38 H TRP 483 HN TRP 483 -3.486 7.756 3.691 39 HA TRP 483 HA TRP 483 -2.143 5.194 3.259 40 HB2 TRP 483 HB2 TRP 483 -5.045 5.973 3.448 41 HB3 TRP 483 HB1 TRP 483 -4.552 4.440 2.741 42 HD1 TRP 483 HD1 TRP 483 -4.353 6.331 6.096 43 HE1 TRP 483 HE1 TRP 483 -4.206 4.594 7.990 44 HE3 TRP 483 HE3 TRP 483 -4.005 2.076 3.268 45 HZ2 TRP 483 HZ2 TRP 483 -3.986 1.795 8.240 46 HZ3 TRP 483 HZ3 TRP 483 -3.841 -0.085 4.418 47 HH2 TRP 483 HH2 TRP 483 -3.827 -0.225 6.855 48 H GLU 484 HN GLU 484 -1.427 4.791 1.343 49 HA GLU 484 HA GLU 484 -2.649 6.101 -0.971 50 HB2 GLU 484 HB2 GLU 484 0.203 6.193 -0.035 51 HB3 GLU 484 HB1 GLU 484 -0.196 6.398 -1.732 52 HG2 GLU 484 HG2 GLU 484 -1.141 8.417 -1.417 53 HG3 GLU 484 HG1 GLU 484 -1.765 7.981 0.164 54 H MET 485 HN MET 485 -3.073 4.695 -2.518 55 HA MET 485 HA MET 485 -2.031 1.974 -2.120 56 HB2 MET 485 HB2 MET 485 -4.101 1.146 -3.086 57 HB3 MET 485 HB1 MET 485 -4.435 2.201 -1.727 58 HG2 MET 485 HG2 MET 485 -4.721 2.889 -4.637 59 HG3 MET 485 HG1 MET 485 -6.021 2.552 -3.514 60 HE1 MET 485 HE1 MET 485 -7.251 4.790 -4.253 61 HE2 MET 485 HE2 MET 485 -5.944 5.129 -5.389 62 HE3 MET 485 HE3 MET 485 -6.474 6.374 -4.259 63 H ARG 486 HN ARG 486 -1.037 0.898 -3.693 64 HA ARG 486 HA ARG 486 -1.173 1.803 -6.444 65 HB2 ARG 486 HB2 ARG 486 1.093 2.364 -6.719 66 HB3 ARG 486 HB1 ARG 486 0.610 3.179 -5.243 67 HG2 ARG 486 HG2 ARG 486 2.542 2.335 -4.485 68 HG3 ARG 486 HG1 ARG 486 1.558 0.895 -4.209 69 HD2 ARG 486 HD2 ARG 486 3.740 0.502 -5.399 70 HD3 ARG 486 HD1 ARG 486 2.306 -0.106 -6.227 71 HE ARG 486 HE ARG 486 2.860 2.506 -7.105 72 HH11 ARG 486 HH11 ARG 486 4.251 -0.695 -7.313 73 HH12 ARG 486 HH12 ARG 486 4.849 -0.461 -8.926 74 HH21 ARG 486 HH21 ARG 486 3.661 2.814 -9.215 75 HH22 ARG 486 HH22 ARG 486 4.501 1.518 -9.986 76 H ILE 487 HN ILE 487 -0.209 0.249 -7.940 77 HA ILE 487 HA ILE 487 -0.468 -2.422 -6.740 78 HB ILE 487 HB ILE 487 -1.137 -3.221 -8.959 79 HG12 ILE 487 HG12 ILE 487 -1.081 -0.309 -9.782 80 HG13 ILE 487 HG11 ILE 487 0.105 -1.511 -10.279 81 HG21 ILE 487 HG21 ILE 487 -2.748 -0.875 -7.964 82 HG22 ILE 487 HG22 ILE 487 -2.852 -2.540 -7.395 83 HG23 ILE 487 HG23 ILE 487 -3.339 -2.140 -9.040 84 HD11 ILE 487 HD11 ILE 487 -1.541 -1.101 -12.020 85 HD12 ILE 487 HD12 ILE 487 -2.836 -1.573 -10.918 86 HD13 ILE 487 HD13 ILE 487 -1.638 -2.760 -11.429 87 H ALA 488 HN ALA 488 0.880 -4.088 -7.320 88 HA ALA 488 HA ALA 488 3.482 -3.377 -8.407 89 HB1 ALA 488 HB1 ALA 488 2.457 -5.998 -7.315 90 HB2 ALA 488 HB2 ALA 488 3.372 -4.796 -6.410 91 HB3 ALA 488 HB3 ALA 488 4.128 -5.648 -7.755 92 HA PRO 489 HA PRO 489 2.744 -4.535 -12.555 93 HB2 PRO 489 HB2 PRO 489 5.238 -6.149 -12.479 94 HB3 PRO 489 HB1 PRO 489 4.779 -4.826 -13.558 95 HG2 PRO 489 HG2 PRO 489 6.559 -4.435 -11.618 96 HG3 PRO 489 HG1 PRO 489 5.359 -3.191 -12.017 97 HD2 PRO 489 HD2 PRO 489 5.405 -5.111 -9.726 98 HD3 PRO 489 HD1 PRO 489 4.907 -3.408 -9.761 99 H ASN 490 HN ASN 490 3.272 -7.032 -10.219 100 HA ASN 490 HA ASN 490 2.451 -9.168 -11.995 101 HB2 ASN 490 HB2 ASN 490 4.107 -9.481 -10.132 102 HB3 ASN 490 HB1 ASN 490 2.797 -9.221 -8.989 103 HD21 ASN 490 HD21 ASN 490 2.510 -10.992 -12.021 104 HD22 ASN 490 HD22 ASN 490 2.234 -12.535 -11.290 105 H GLY 491 HN GLY 491 0.817 -6.702 -10.720 106 HA2 GLY 491 HA2 GLY 491 -1.491 -6.393 -10.656 107 HA3 GLY 491 HA1 GLY 491 -1.706 -8.135 -10.766 108 H ARG 492 HN ARG 492 0.275 -6.398 -8.433 109 HA ARG 492 HA ARG 492 -1.366 -7.599 -6.294 110 HB2 ARG 492 HB2 ARG 492 1.463 -6.617 -5.962 111 HB3 ARG 492 HB1 ARG 492 0.574 -7.737 -4.944 112 HG2 ARG 492 HG2 ARG 492 1.363 -8.380 -7.772 113 HG3 ARG 492 HG1 ARG 492 2.403 -8.707 -6.389 114 HD2 ARG 492 HD2 ARG 492 1.235 -10.722 -6.898 115 HD3 ARG 492 HD1 ARG 492 0.563 -10.078 -5.406 116 HE ARG 492 HE ARG 492 -1.068 -9.122 -7.396 117 HH11 ARG 492 HH11 ARG 492 -0.027 -12.287 -6.318 118 HH12 ARG 492 HH12 ARG 492 -1.491 -13.083 -6.813 119 HH21 ARG 492 HH21 ARG 492 -3.010 -10.160 -8.042 120 HH22 ARG 492 HH22 ARG 492 -3.190 -11.872 -7.779 121 HA PRO 493 HA PRO 493 -1.988 -3.214 -5.422 122 HB2 PRO 493 HB2 PRO 493 -4.500 -3.576 -4.353 123 HB3 PRO 493 HB1 PRO 493 -4.165 -3.308 -6.059 124 HG2 PRO 493 HG2 PRO 493 -5.139 -5.696 -4.784 125 HG3 PRO 493 HG1 PRO 493 -4.894 -5.393 -6.508 126 HD2 PRO 493 HD2 PRO 493 -3.202 -6.862 -4.615 127 HD3 PRO 493 HD1 PRO 493 -3.189 -6.884 -6.390 128 H PHE 494 HN PHE 494 -0.829 -2.566 -3.699 129 HA PHE 494 HA PHE 494 -1.664 -3.567 -1.064 130 HB2 PHE 494 HB2 PHE 494 0.686 -3.193 -0.298 131 HB3 PHE 494 HB1 PHE 494 0.510 -4.480 -1.475 132 HD1 PHE 494 HD1 PHE 494 1.617 -0.964 -1.056 133 HD2 PHE 494 HD2 PHE 494 1.689 -4.452 -3.495 134 HE1 PHE 494 HE1 PHE 494 3.394 0.048 -2.439 135 HE2 PHE 494 HE2 PHE 494 3.462 -3.449 -4.875 136 HZ PHE 494 HZ PHE 494 4.315 -1.205 -4.348 137 H PHE 495 HN PHE 495 -1.846 -2.119 0.597 138 HA PHE 495 HA PHE 495 -2.026 0.674 -0.237 139 HB2 PHE 495 HB2 PHE 495 -2.978 -0.620 2.331 140 HB3 PHE 495 HB1 PHE 495 -3.320 1.024 1.804 141 HD1 PHE 495 HD2 PHE 495 -4.584 1.307 -0.394 142 HD2 PHE 495 HD1 PHE 495 -4.421 -2.356 1.760 143 HE1 PHE 495 HE2 PHE 495 -6.587 0.530 -1.585 144 HE2 PHE 495 HE1 PHE 495 -6.429 -3.146 0.575 145 HZ PHE 495 HZ PHE 495 -7.516 -1.701 -1.099 146 H ILE 496 HN ILE 496 -0.456 2.013 0.172 147 HA ILE 496 HA ILE 496 1.575 1.401 2.159 148 HB ILE 496 HB ILE 496 1.368 3.783 0.288 149 HG12 ILE 496 HG12 ILE 496 3.405 2.604 -0.788 150 HG13 ILE 496 HG11 ILE 496 2.853 1.160 0.044 151 HG21 ILE 496 HG21 ILE 496 3.712 4.176 0.887 152 HG22 ILE 496 HG22 ILE 496 3.656 2.828 2.021 153 HG23 ILE 496 HG23 ILE 496 2.657 4.256 2.298 154 HD11 ILE 496 HD11 ILE 496 1.292 2.745 -1.974 155 HD12 ILE 496 HD12 ILE 496 0.725 1.301 -1.139 156 HD13 ILE 496 HD13 ILE 496 2.090 1.197 -2.251 157 H ASP 497 HN ASP 497 0.852 1.887 4.237 158 HA ASP 497 HA ASP 497 -0.297 4.539 4.543 159 HB2 ASP 497 HB2 ASP 497 -1.119 3.949 6.493 160 HB3 ASP 497 HB1 ASP 497 -0.738 2.284 6.042 161 H HIS 498 HN HIS 498 0.778 6.191 4.931 162 HA HIS 498 HA HIS 498 3.643 5.938 4.904 163 HB2 HIS 498 HB2 HIS 498 1.790 8.252 4.498 164 HB3 HIS 498 HB1 HIS 498 3.527 8.495 4.690 165 HD1 HIS 498 HD1 HIS 498 5.079 7.566 2.817 166 HD2 HIS 498 HD2 HIS 498 1.006 7.144 2.023 167 HE1 HIS 498 HE1 HIS 498 4.927 6.816 0.428 168 HE2 HIS 498 HE2 HIS 498 2.460 6.950 -0.090 169 H ASN 499 HN ASN 499 1.311 6.511 7.380 170 HA ASN 499 HA ASN 499 3.152 8.105 8.932 171 HB2 ASN 499 HB2 ASN 499 1.444 8.051 10.716 172 HB3 ASN 499 HB1 ASN 499 0.817 8.624 9.182 173 HD21 ASN 499 HD21 ASN 499 -0.772 7.470 8.146 174 HD22 ASN 499 HD22 ASN 499 -1.561 6.101 8.849 175 H THR 500 HN THR 500 1.749 4.796 9.406 176 HA THR 500 HA THR 500 3.868 4.282 11.297 177 HB THR 500 HB THR 500 3.018 1.913 11.336 178 HG1 THR 500 HG1 THR 500 1.669 2.590 9.199 179 HG21 THR 500 HG21 THR 500 2.427 3.499 13.041 180 HG22 THR 500 HG22 THR 500 1.005 2.537 12.632 181 HG23 THR 500 HG23 THR 500 1.162 4.185 12.019 182 H LYS 501 HN LYS 501 3.486 4.069 7.942 183 HA LYS 501 HA LYS 501 5.031 3.746 6.315 184 HB2 LYS 501 HB2 LYS 501 6.563 4.779 8.034 185 HB3 LYS 501 HB1 LYS 501 7.024 3.153 8.504 186 HG2 LYS 501 HG2 LYS 501 7.955 2.739 6.319 187 HG3 LYS 501 HG1 LYS 501 7.389 4.313 5.747 188 HD2 LYS 501 HD2 LYS 501 8.806 5.416 7.420 189 HD3 LYS 501 HD1 LYS 501 9.379 3.838 7.963 190 HE2 LYS 501 HE2 LYS 501 9.746 4.980 5.197 191 HE3 LYS 501 HE1 LYS 501 10.976 4.938 6.459 192 HZ1 LYS 501 HZ1 LYS 501 9.742 2.629 5.081 193 HZ2 LYS 501 HZ2 LYS 501 10.725 2.476 6.449 194 HZ3 LYS 501 HZ3 LYS 501 11.359 3.126 5.012 195 H THR 502 HN THR 502 3.342 1.739 6.722 196 HA THR 502 HA THR 502 4.968 -0.572 6.021 197 HB THR 502 HB THR 502 4.574 -0.930 8.396 198 HG1 THR 502 HG1 THR 502 2.956 -2.607 6.753 199 HG21 THR 502 HG21 THR 502 1.632 -0.777 7.738 200 HG22 THR 502 HG22 THR 502 2.543 0.403 8.679 201 HG23 THR 502 HG23 THR 502 2.319 -1.233 9.297 202 H THR 503 HN THR 503 3.898 -2.102 4.752 203 HA THR 503 HA THR 503 1.597 -0.996 3.335 204 HB THR 503 HB THR 503 2.241 -2.974 1.742 205 HG1 THR 503 HG1 THR 503 4.496 -3.450 1.914 206 HG21 THR 503 HG21 THR 503 2.456 -0.607 1.183 207 HG22 THR 503 HG22 THR 503 3.849 -1.518 0.602 208 HG23 THR 503 HG23 THR 503 3.987 -0.529 2.057 209 H THR 504 HN THR 504 -0.345 -2.016 3.188 210 HA THR 504 HA THR 504 -0.602 -4.609 4.569 211 HB THR 504 HB THR 504 -2.893 -3.948 5.218 212 HG1 THR 504 HG1 THR 504 -3.728 -2.306 4.190 213 HG21 THR 504 HG21 THR 504 -2.298 -2.336 6.953 214 HG22 THR 504 HG22 THR 504 -0.799 -1.958 6.105 215 HG23 THR 504 HG23 THR 504 -1.044 -3.567 6.790 216 H TRP 505 HN TRP 505 -1.648 -6.221 3.489 217 HA TRP 505 HA TRP 505 -2.618 -5.736 0.811 218 HB2 TRP 505 HB2 TRP 505 -2.614 -8.223 2.532 219 HB3 TRP 505 HB1 TRP 505 -3.227 -8.178 0.884 220 HD1 TRP 505 HD1 TRP 505 -0.201 -9.006 2.746 221 HE1 TRP 505 HE1 TRP 505 1.839 -9.140 1.181 222 HE3 TRP 505 HE3 TRP 505 -2.179 -6.706 -1.370 223 HZ2 TRP 505 HZ2 TRP 505 2.522 -8.355 -1.446 224 HZ3 TRP 505 HZ3 TRP 505 -0.766 -6.439 -3.364 225 HH2 TRP 505 HH2 TRP 505 1.536 -7.246 -3.398 226 H GLU 506 HN GLU 506 -3.885 -5.587 3.922 227 HA GLU 506 HA GLU 506 -6.607 -6.232 3.116 228 HB2 GLU 506 HB2 GLU 506 -5.280 -5.785 5.773 229 HB3 GLU 506 HB1 GLU 506 -7.031 -5.806 5.617 230 HG2 GLU 506 HG2 GLU 506 -5.252 -8.060 4.732 231 HG3 GLU 506 HG1 GLU 506 -6.010 -7.968 6.321 232 H ASP 507 HN ASP 507 -8.214 -4.942 3.000 233 HA ASP 507 HA ASP 507 -7.643 -2.221 2.558 234 HB2 ASP 507 HB2 ASP 507 -9.312 -3.480 1.241 235 HB3 ASP 507 HB1 ASP 507 -10.311 -3.643 2.680 236 HA PRO 508 HA PRO 508 -7.984 -1.067 6.775 237 HB2 PRO 508 HB2 PRO 508 -8.022 1.625 6.537 238 HB3 PRO 508 HB1 PRO 508 -6.578 0.653 6.245 239 HG2 PRO 508 HG2 PRO 508 -8.505 1.819 4.280 240 HG3 PRO 508 HG1 PRO 508 -6.735 1.752 4.207 241 HD2 PRO 508 HD2 PRO 508 -8.341 0.026 2.849 242 HD3 PRO 508 HD1 PRO 508 -6.723 -0.410 3.430 243 H ARG 509 HN ARG 509 -10.634 -0.711 4.718 244 HA ARG 509 HA ARG 509 -12.231 0.199 7.021 245 HB2 ARG 509 HB2 ARG 509 -12.218 1.847 5.148 246 HB3 ARG 509 HB1 ARG 509 -12.927 0.619 4.108 247 HG2 ARG 509 HG2 ARG 509 -14.682 2.040 4.844 248 HG3 ARG 509 HG1 ARG 509 -14.858 0.502 5.690 249 HD2 ARG 509 HD2 ARG 509 -15.189 2.089 7.360 250 HD3 ARG 509 HD1 ARG 509 -13.504 1.617 7.567 251 HE ARG 509 HE ARG 509 -14.175 4.014 6.009 252 HH11 ARG 509 HH11 ARG 509 -12.584 2.526 8.761 253 HH12 ARG 509 HH12 ARG 509 -11.783 4.000 9.235 254 HH21 ARG 509 HH21 ARG 509 -13.120 5.928 6.620 255 HH22 ARG 509 HH22 ARG 509 -12.090 5.929 8.026 256 H1 ARG 925 HT1 ARG 925 -1.731 -18.508 0.707 257 H2 ARG 925 HT2 ARG 925 -0.237 -18.020 0.072 258 H3 ARG 925 HT3 ARG 925 -1.674 -17.350 -0.531 259 HA ARG 925 HA ARG 925 -2.121 -16.320 1.593 260 HB2 ARG 925 HB2 ARG 925 -0.801 -18.079 2.864 261 HB3 ARG 925 HB1 ARG 925 0.656 -17.231 2.369 262 HG2 ARG 925 HG2 ARG 925 -0.059 -15.244 3.537 263 HG3 ARG 925 HG1 ARG 925 -1.585 -16.016 3.968 264 HD2 ARG 925 HD2 ARG 925 -0.230 -17.773 5.153 265 HD3 ARG 925 HD1 ARG 925 1.181 -16.747 4.896 266 HE ARG 925 HE ARG 925 -0.983 -15.337 6.131 267 HH11 ARG 925 HH11 ARG 925 1.729 -17.472 6.740 268 HH12 ARG 925 HH12 ARG 925 1.863 -17.030 8.420 269 HH21 ARG 925 HH21 ARG 925 -0.800 -14.752 8.342 270 HH22 ARG 925 HH22 ARG 925 0.422 -15.491 9.328 271 H LEU 926 HN LEU 926 -1.781 -14.187 1.475 272 HA LEU 926 HA LEU 926 -0.250 -13.127 -0.650 273 HB2 LEU 926 HB2 LEU 926 -1.737 -11.918 1.654 274 HB3 LEU 926 HB1 LEU 926 -0.735 -10.909 0.631 275 HG LEU 926 HG LEU 926 -3.023 -10.753 -0.092 276 HD11 LEU 926 HD11 LEU 926 -1.333 -10.673 -1.824 277 HD12 LEU 926 HD12 LEU 926 -2.801 -11.442 -2.427 278 HD13 LEU 926 HD13 LEU 926 -1.402 -12.426 -1.998 279 HD21 LEU 926 HD21 LEU 926 -3.865 -12.856 0.798 280 HD22 LEU 926 HD22 LEU 926 -2.956 -13.748 -0.424 281 HD23 LEU 926 HD23 LEU 926 -4.274 -12.683 -0.909 282 H ASP 927 HN ASP 927 1.829 -12.719 -0.764 283 HA ASP 927 HA ASP 927 3.432 -12.712 1.683 284 HB2 ASP 927 HB2 ASP 927 3.863 -14.026 -0.622 285 HB3 ASP 927 HB1 ASP 927 4.695 -12.523 -1.010 286 H LEU 928 HN LEU 928 4.222 -10.868 2.500 287 HA LEU 928 HA LEU 928 3.548 -8.397 1.103 288 HB2 LEU 928 HB2 LEU 928 2.959 -8.939 3.538 289 HB3 LEU 928 HB1 LEU 928 4.652 -8.709 3.896 290 HG LEU 928 HG LEU 928 3.109 -6.776 4.411 291 HD11 LEU 928 HD11 LEU 928 5.421 -6.242 2.565 292 HD12 LEU 928 HD12 LEU 928 5.508 -6.485 4.309 293 HD13 LEU 928 HD13 LEU 928 4.671 -5.077 3.657 294 HD21 LEU 928 HD21 LEU 928 2.495 -5.301 2.575 295 HD22 LEU 928 HD22 LEU 928 1.736 -6.884 2.408 296 HD23 LEU 928 HD23 LEU 928 3.133 -6.467 1.416 297 HA PRO 929 HA PRO 929 7.894 -8.030 -0.012 298 HB2 PRO 929 HB2 PRO 929 7.634 -5.925 -1.655 299 HB3 PRO 929 HB1 PRO 929 7.072 -7.535 -2.122 300 HG2 PRO 929 HG2 PRO 929 5.499 -5.212 -1.072 301 HG3 PRO 929 HG1 PRO 929 5.110 -6.312 -2.408 302 HD2 PRO 929 HD2 PRO 929 4.071 -6.564 0.111 303 HD3 PRO 929 HD1 PRO 929 4.295 -7.927 -1.004 304 HA PRO 930 HA PRO 930 9.229 -4.996 3.023 305 HB2 PRO 930 HB2 PRO 930 11.673 -5.032 1.324 306 HB3 PRO 930 HB1 PRO 930 11.512 -5.255 3.070 307 HG2 PRO 930 HG2 PRO 930 11.992 -7.334 1.482 308 HG3 PRO 930 HG1 PRO 930 10.887 -7.481 2.862 309 HD2 PRO 930 HD2 PRO 930 10.261 -7.222 -0.050 310 HD3 PRO 930 HD1 PRO 930 9.461 -8.206 1.194 311 H TYR 931 HN TYR 931 8.763 -2.878 2.953 312 HA TYR 931 HA TYR 931 8.072 -1.725 0.440 313 HB2 TYR 931 HB2 TYR 931 6.674 -1.302 2.321 314 HB3 TYR 931 HB1 TYR 931 8.024 -0.761 3.299 315 HD1 TYR 931 HD1 TYR 931 6.502 0.242 0.008 316 HD2 TYR 931 HD2 TYR 931 7.958 1.458 3.815 317 HE1 TYR 931 HE1 TYR 931 5.934 2.575 -0.523 318 HE2 TYR 931 HE2 TYR 931 7.395 3.788 3.296 319 HH TYR 931 HH TYR 931 7.129 5.175 1.160 320 H GLU 932 HN GLU 932 9.485 -0.878 -0.899 321 HA GLU 932 HA GLU 932 11.476 0.999 0.165 322 HB2 GLU 932 HB2 GLU 932 12.035 0.817 -2.521 323 HB3 GLU 932 HB1 GLU 932 12.877 -0.052 -1.250 324 HG2 GLU 932 HG2 GLU 932 12.354 -1.624 -2.919 325 HG3 GLU 932 HG1 GLU 932 11.244 -1.924 -1.585 326 H THR 933 HN THR 933 11.722 2.880 -1.764 327 HA THR 933 HA THR 933 8.975 3.857 -1.829 328 HB THR 933 HB THR 933 11.455 5.466 -2.444 329 HG1 THR 933 HG1 THR 933 11.270 4.668 -0.206 330 HG21 THR 933 HG21 THR 933 9.454 6.404 -3.433 331 HG22 THR 933 HG22 THR 933 9.896 7.371 -2.026 332 HG23 THR 933 HG23 THR 933 8.567 6.211 -1.922 333 H PHE 934 HN PHE 934 7.854 3.570 -3.451 334 HA PHE 934 HA PHE 934 8.852 3.496 -6.181 335 HB2 PHE 934 HB2 PHE 934 6.633 2.782 -6.784 336 HB3 PHE 934 HB1 PHE 934 7.075 1.883 -5.331 337 HD1 PHE 934 HD2 PHE 934 6.164 2.603 -3.125 338 HD2 PHE 934 HD1 PHE 934 4.815 4.223 -6.813 339 HE1 PHE 934 HE2 PHE 934 4.191 3.524 -1.996 340 HE2 PHE 934 HE1 PHE 934 2.840 5.151 -5.692 341 HZ PHE 934 HZ PHE 934 2.550 4.806 -3.292 342 H GLU 935 HN GLU 935 6.977 4.846 -7.620 343 HA GLU 935 HA GLU 935 7.867 7.445 -7.526 344 HB2 GLU 935 HB2 GLU 935 5.851 8.015 -8.872 345 HB3 GLU 935 HB1 GLU 935 6.696 6.584 -9.450 346 HG2 GLU 935 HG2 GLU 935 4.526 6.044 -7.520 347 HG3 GLU 935 HG1 GLU 935 4.014 6.749 -9.062 348 H ASP 936 HN ASP 936 7.465 9.200 -6.364 349 HA ASP 936 HA ASP 936 6.070 9.038 -3.926 350 HB2 ASP 936 HB2 ASP 936 8.022 10.499 -4.268 351 HB3 ASP 936 HB1 ASP 936 7.084 11.487 -5.386 352 H LEU 937 HN LEU 937 4.097 9.662 -3.304 353 HA LEU 937 HA LEU 937 2.127 10.172 -5.340 354 HB2 LEU 937 HB2 LEU 937 1.853 9.963 -2.334 355 HB3 LEU 937 HB1 LEU 937 0.518 10.095 -3.455 356 HG LEU 937 HG LEU 937 0.654 7.828 -2.798 357 HD11 LEU 937 HD11 LEU 937 1.099 6.662 -4.907 358 HD12 LEU 937 HD12 LEU 937 1.901 8.104 -5.529 359 HD13 LEU 937 HD13 LEU 937 0.178 8.146 -5.155 360 HD21 LEU 937 HD21 LEU 937 2.672 6.466 -3.030 361 HD22 LEU 937 HD22 LEU 937 2.916 7.811 -1.917 362 HD23 LEU 937 HD23 LEU 937 3.572 7.891 -3.552 363 HN1 NH2 938 H1 LEU 937 3.047 12.231 -5.975 364 HN2 NH2 938 H2 LEU 937 2.610 13.662 -5.110 Start of MODEL 16 1 H PHE 478 HT1 PHE 478 -13.601 9.392 -0.732 2 HA PHE 478 HA PHE 478 -13.609 7.612 0.831 3 HB2 PHE 478 HB2 PHE 478 -14.258 6.966 -1.390 4 HB3 PHE 478 HB1 PHE 478 -12.582 6.862 -1.914 5 HD1 PHE 478 HD1 PHE 478 -15.044 5.320 0.400 6 HD2 PHE 478 HD2 PHE 478 -11.435 4.842 -1.804 7 HE1 PHE 478 HE1 PHE 478 -15.018 2.925 0.965 8 HE2 PHE 478 HE2 PHE 478 -11.407 2.446 -1.243 9 HZ PHE 478 HZ PHE 478 -13.198 1.485 0.143 10 H LEU 479 HN LEU 479 -10.461 8.220 -0.579 11 HA LEU 479 HA LEU 479 -9.293 6.243 1.262 12 HB2 LEU 479 HB2 LEU 479 -9.018 6.150 -1.328 13 HB3 LEU 479 HB1 LEU 479 -7.862 7.444 -1.083 14 HG LEU 479 HG LEU 479 -6.555 5.957 0.418 15 HD11 LEU 479 HD11 LEU 479 -7.086 3.561 0.433 16 HD12 LEU 479 HD12 LEU 479 -8.568 3.887 -0.463 17 HD13 LEU 479 HD13 LEU 479 -8.367 4.518 1.173 18 HD21 LEU 479 HD21 LEU 479 -5.989 6.134 -1.952 19 HD22 LEU 479 HD22 LEU 479 -7.129 4.845 -2.332 20 HD23 LEU 479 HD23 LEU 479 -5.702 4.500 -1.358 21 HA PRO 480 HA PRO 480 -7.707 9.651 3.705 22 HB2 PRO 480 HB2 PRO 480 -5.682 7.537 4.284 23 HB3 PRO 480 HB1 PRO 480 -6.564 8.576 5.405 24 HG2 PRO 480 HG2 PRO 480 -7.272 6.040 5.122 25 HG3 PRO 480 HG1 PRO 480 -8.512 7.304 5.248 26 HD2 PRO 480 HD2 PRO 480 -7.562 5.819 2.836 27 HD3 PRO 480 HD1 PRO 480 -9.198 6.362 3.259 28 HA PRO 481 HA PRO 481 -4.868 11.525 0.999 29 HB2 PRO 481 HB2 PRO 481 -3.519 12.603 3.420 30 HB3 PRO 481 HB1 PRO 481 -4.169 13.455 2.014 31 HG2 PRO 481 HG2 PRO 481 -5.485 13.488 4.316 32 HG3 PRO 481 HG1 PRO 481 -6.360 13.327 2.781 33 HD2 PRO 481 HD2 PRO 481 -5.695 11.234 4.814 34 HD3 PRO 481 HD1 PRO 481 -7.176 11.448 3.859 35 H GLY 482 HN GLY 482 -3.414 9.812 3.750 36 HA2 GLY 482 HA2 GLY 482 -0.935 9.560 2.196 37 HA3 GLY 482 HA1 GLY 482 -1.089 9.216 3.902 38 H TRP 483 HN TRP 483 -3.738 7.789 2.708 39 HA TRP 483 HA TRP 483 -2.368 5.235 2.389 40 HB2 TRP 483 HB2 TRP 483 -5.278 5.949 2.756 41 HB3 TRP 483 HB1 TRP 483 -4.775 4.337 2.243 42 HD1 TRP 483 HD1 TRP 483 -4.274 6.782 5.171 43 HE1 TRP 483 HE1 TRP 483 -3.777 5.435 7.304 44 HE3 TRP 483 HE3 TRP 483 -4.127 2.049 3.144 45 HZ2 TRP 483 HZ2 TRP 483 -3.366 2.735 8.028 46 HZ3 TRP 483 HZ3 TRP 483 -3.668 0.166 4.640 47 HH2 TRP 483 HH2 TRP 483 -3.301 0.498 7.027 48 H GLU 484 HN GLU 484 -1.826 4.550 0.522 49 HA GLU 484 HA GLU 484 -3.096 5.748 -1.838 50 HB2 GLU 484 HB2 GLU 484 -0.270 5.475 -0.994 51 HB3 GLU 484 HB1 GLU 484 -0.610 5.319 -2.698 52 HG2 GLU 484 HG2 GLU 484 -1.623 7.504 -2.748 53 HG3 GLU 484 HG1 GLU 484 -1.413 7.658 -1.000 54 H MET 485 HN MET 485 -3.848 4.390 -3.285 55 HA MET 485 HA MET 485 -3.228 1.548 -3.064 56 HB2 MET 485 HB2 MET 485 -5.272 3.049 -4.713 57 HB3 MET 485 HB1 MET 485 -5.011 1.315 -4.841 58 HG2 MET 485 HG2 MET 485 -5.560 1.097 -2.472 59 HG3 MET 485 HG1 MET 485 -5.895 2.822 -2.398 60 HE1 MET 485 HE1 MET 485 -7.908 3.996 -3.639 61 HE2 MET 485 HE2 MET 485 -9.014 3.156 -4.725 62 HE3 MET 485 HE3 MET 485 -7.323 3.362 -5.177 63 H ARG 486 HN ARG 486 -1.415 0.991 -4.016 64 HA ARG 486 HA ARG 486 -0.900 1.991 -6.728 65 HB2 ARG 486 HB2 ARG 486 1.254 2.695 -6.292 66 HB3 ARG 486 HB1 ARG 486 0.420 3.177 -4.827 67 HG2 ARG 486 HG2 ARG 486 2.193 2.225 -3.841 68 HG3 ARG 486 HG1 ARG 486 1.275 0.738 -4.092 69 HD2 ARG 486 HD2 ARG 486 3.596 0.487 -4.828 70 HD3 ARG 486 HD1 ARG 486 2.472 0.335 -6.181 71 HE ARG 486 HE ARG 486 3.784 2.913 -5.668 72 HH11 ARG 486 HH11 ARG 486 3.319 0.102 -7.709 73 HH12 ARG 486 HH12 ARG 486 4.119 0.815 -9.076 74 HH21 ARG 486 HH21 ARG 486 4.867 3.835 -7.482 75 HH22 ARG 486 HH22 ARG 486 4.983 2.913 -8.950 76 H ILE 487 HN ILE 487 0.556 0.590 -7.981 77 HA ILE 487 HA ILE 487 -0.567 -2.046 -7.523 78 HB ILE 487 HB ILE 487 0.784 -0.879 -9.965 79 HG12 ILE 487 HG12 ILE 487 -1.316 0.267 -9.308 80 HG13 ILE 487 HG11 ILE 487 -1.459 -0.574 -10.849 81 HG21 ILE 487 HG21 ILE 487 0.894 -3.309 -9.973 82 HG22 ILE 487 HG22 ILE 487 -0.247 -2.734 -11.189 83 HG23 ILE 487 HG23 ILE 487 -0.841 -3.402 -9.670 84 HD11 ILE 487 HD11 ILE 487 -2.492 -1.538 -8.192 85 HD12 ILE 487 HD12 ILE 487 -2.599 -2.422 -9.713 86 HD13 ILE 487 HD13 ILE 487 -3.451 -0.890 -9.523 87 H ALA 488 HN ALA 488 0.508 -3.932 -7.633 88 HA ALA 488 HA ALA 488 3.289 -4.011 -6.904 89 HB1 ALA 488 HB1 ALA 488 2.903 -6.404 -6.579 90 HB2 ALA 488 HB2 ALA 488 1.260 -6.203 -7.182 91 HB3 ALA 488 HB3 ALA 488 1.752 -5.418 -5.680 92 HA PRO 489 HA PRO 489 4.885 -4.740 -10.971 93 HB2 PRO 489 HB2 PRO 489 6.383 -7.063 -9.874 94 HB3 PRO 489 HB1 PRO 489 6.977 -5.648 -10.747 95 HG2 PRO 489 HG2 PRO 489 7.344 -5.864 -8.127 96 HG3 PRO 489 HG1 PRO 489 6.940 -4.300 -8.858 97 HD2 PRO 489 HD2 PRO 489 5.193 -6.188 -7.332 98 HD3 PRO 489 HD1 PRO 489 5.236 -4.413 -7.299 99 H ASN 490 HN ASN 490 2.830 -6.907 -9.566 100 HA ASN 490 HA ASN 490 2.837 -8.661 -11.924 101 HB2 ASN 490 HB2 ASN 490 1.589 -10.273 -10.373 102 HB3 ASN 490 HB1 ASN 490 3.311 -10.055 -10.092 103 HD21 ASN 490 HD21 ASN 490 3.351 -10.566 -7.970 104 HD22 ASN 490 HD22 ASN 490 2.567 -9.626 -6.743 105 H GLY 491 HN GLY 491 1.316 -6.027 -10.846 106 HA2 GLY 491 HA2 GLY 491 -0.577 -5.100 -11.889 107 HA3 GLY 491 HA1 GLY 491 -1.086 -6.715 -12.362 108 H ARG 492 HN ARG 492 -0.216 -5.597 -9.131 109 HA ARG 492 HA ARG 492 -2.961 -6.158 -8.235 110 HB2 ARG 492 HB2 ARG 492 -1.831 -8.200 -7.830 111 HB3 ARG 492 HB1 ARG 492 -0.364 -7.364 -7.311 112 HG2 ARG 492 HG2 ARG 492 -1.083 -6.959 -5.275 113 HG3 ARG 492 HG1 ARG 492 -2.810 -6.951 -5.725 114 HD2 ARG 492 HD2 ARG 492 -2.199 -8.928 -4.359 115 HD3 ARG 492 HD1 ARG 492 -2.814 -9.363 -5.953 116 HE ARG 492 HE ARG 492 0.058 -9.187 -5.794 117 HH11 ARG 492 HH11 ARG 492 -2.752 -11.249 -5.449 118 HH12 ARG 492 HH12 ARG 492 -1.854 -12.728 -5.649 119 HH21 ARG 492 HH21 ARG 492 1.244 -11.145 -6.056 120 HH22 ARG 492 HH22 ARG 492 0.411 -12.657 -5.991 121 HA PRO 493 HA PRO 493 -1.841 -2.403 -6.101 122 HB2 PRO 493 HB2 PRO 493 -4.293 -1.694 -5.234 123 HB3 PRO 493 HB1 PRO 493 -3.814 -1.597 -6.930 124 HG2 PRO 493 HG2 PRO 493 -5.621 -3.506 -5.591 125 HG3 PRO 493 HG1 PRO 493 -5.561 -3.016 -7.290 126 HD2 PRO 493 HD2 PRO 493 -4.496 -5.396 -6.110 127 HD3 PRO 493 HD1 PRO 493 -4.379 -4.877 -7.802 128 H PHE 494 HN PHE 494 -0.835 -2.205 -4.209 129 HA PHE 494 HA PHE 494 -2.113 -3.328 -1.810 130 HB2 PHE 494 HB2 PHE 494 0.170 -3.118 -0.734 131 HB3 PHE 494 HB1 PHE 494 0.005 -4.361 -1.957 132 HD1 PHE 494 HD1 PHE 494 1.231 -0.850 -1.534 133 HD2 PHE 494 HD2 PHE 494 1.600 -4.550 -3.587 134 HE1 PHE 494 HE1 PHE 494 3.309 -0.013 -2.624 135 HE2 PHE 494 HE2 PHE 494 3.650 -3.753 -4.671 136 HZ PHE 494 HZ PHE 494 4.501 -1.493 -4.197 137 H PHE 495 HN PHE 495 -2.177 -2.074 0.094 138 HA PHE 495 HA PHE 495 -2.475 0.758 -0.515 139 HB2 PHE 495 HB2 PHE 495 -3.266 -0.654 2.042 140 HB3 PHE 495 HB1 PHE 495 -3.788 0.927 1.486 141 HD1 PHE 495 HD2 PHE 495 -4.276 0.231 -1.375 142 HD2 PHE 495 HD1 PHE 495 -5.363 -1.746 2.223 143 HE1 PHE 495 HE2 PHE 495 -6.214 -0.751 -2.522 144 HE2 PHE 495 HE1 PHE 495 -7.302 -2.760 1.088 145 HZ PHE 495 HZ PHE 495 -7.732 -2.260 -1.287 146 H ILE 496 HN ILE 496 -0.920 2.091 -0.102 147 HA ILE 496 HA ILE 496 1.049 1.468 1.990 148 HB ILE 496 HB ILE 496 1.202 3.496 -0.242 149 HG12 ILE 496 HG12 ILE 496 1.205 1.132 -0.992 150 HG13 ILE 496 HG11 ILE 496 2.703 1.970 -1.349 151 HG21 ILE 496 HG21 ILE 496 2.529 4.129 1.705 152 HG22 ILE 496 HG22 ILE 496 3.574 3.661 0.363 153 HG23 ILE 496 HG23 ILE 496 3.307 2.546 1.704 154 HD11 ILE 496 HD11 ILE 496 3.755 0.918 0.582 155 HD12 ILE 496 HD12 ILE 496 3.118 -0.279 -0.548 156 HD13 ILE 496 HD13 ILE 496 2.243 0.082 0.943 157 H ASP 497 HN ASP 497 0.522 2.422 3.919 158 HA ASP 497 HA ASP 497 -0.541 5.136 3.755 159 HB2 ASP 497 HB2 ASP 497 -1.088 5.069 5.946 160 HB3 ASP 497 HB1 ASP 497 -1.159 3.340 5.611 161 H HIS 498 HN HIS 498 0.685 6.792 3.733 162 HA HIS 498 HA HIS 498 3.502 6.264 3.585 163 HB2 HIS 498 HB2 HIS 498 1.797 8.585 2.798 164 HB3 HIS 498 HB1 HIS 498 3.553 8.756 2.883 165 HD1 HIS 498 HD1 HIS 498 4.966 7.296 1.248 166 HD2 HIS 498 HD2 HIS 498 0.853 7.072 0.609 167 HE1 HIS 498 HE1 HIS 498 4.689 6.100 -0.935 168 HE2 HIS 498 HE2 HIS 498 2.226 6.380 -1.467 169 H ASN 499 HN ASN 499 1.484 7.425 6.094 170 HA ASN 499 HA ASN 499 3.552 9.131 7.174 171 HB2 ASN 499 HB2 ASN 499 2.060 9.500 9.085 172 HB3 ASN 499 HB1 ASN 499 1.236 9.773 7.557 173 HD21 ASN 499 HD21 ASN 499 -0.458 8.437 6.968 174 HD22 ASN 499 HD22 ASN 499 -1.166 7.285 8.051 175 H THR 500 HN THR 500 2.066 6.028 8.330 176 HA THR 500 HA THR 500 4.387 5.617 9.997 177 HB THR 500 HB THR 500 3.457 3.427 10.598 178 HG1 THR 500 HG1 THR 500 1.618 4.073 8.570 179 HG21 THR 500 HG21 THR 500 2.864 5.399 11.889 180 HG22 THR 500 HG22 THR 500 1.508 4.272 11.820 181 HG23 THR 500 HG23 THR 500 1.509 5.718 10.808 182 H LYS 501 HN LYS 501 3.801 5.246 6.786 183 HA LYS 501 HA LYS 501 4.706 4.186 5.038 184 HB2 LYS 501 HB2 LYS 501 7.078 3.885 4.943 185 HB3 LYS 501 HB1 LYS 501 6.735 5.351 5.839 186 HG2 LYS 501 HG2 LYS 501 7.303 4.288 7.911 187 HG3 LYS 501 HG1 LYS 501 7.445 2.718 7.116 188 HD2 LYS 501 HD2 LYS 501 9.302 3.621 5.750 189 HD3 LYS 501 HD1 LYS 501 9.186 5.139 6.640 190 HE2 LYS 501 HE2 LYS 501 9.754 2.458 7.903 191 HE3 LYS 501 HE1 LYS 501 10.993 3.624 7.445 192 HZ1 LYS 501 HZ1 LYS 501 9.888 5.232 8.947 193 HZ2 LYS 501 HZ2 LYS 501 10.529 3.887 9.753 194 HZ3 LYS 501 HZ3 LYS 501 8.860 3.993 9.477 195 H THR 502 HN THR 502 3.011 2.571 6.120 196 HA THR 502 HA THR 502 4.341 -0.010 6.597 197 HB THR 502 HB THR 502 1.434 0.609 7.121 198 HG1 THR 502 HG1 THR 502 2.270 1.934 8.572 199 HG21 THR 502 HG21 THR 502 1.617 -1.272 8.688 200 HG22 THR 502 HG22 THR 502 3.312 -1.480 8.242 201 HG23 THR 502 HG23 THR 502 2.043 -1.767 7.048 202 H THR 503 HN THR 503 3.845 -1.808 5.423 203 HA THR 503 HA THR 503 2.370 -1.423 2.924 204 HB THR 503 HB THR 503 3.434 -3.736 2.435 205 HG1 THR 503 HG1 THR 503 4.911 -4.439 3.811 206 HG21 THR 503 HG21 THR 503 4.206 -1.809 1.267 207 HG22 THR 503 HG22 THR 503 5.625 -2.674 1.848 208 HG23 THR 503 HG23 THR 503 5.071 -1.225 2.686 209 H THR 504 HN THR 504 0.394 -2.356 2.649 210 HA THR 504 HA THR 504 -0.132 -4.898 3.951 211 HB THR 504 HB THR 504 -0.978 -3.309 5.610 212 HG1 THR 504 HG1 THR 504 -3.432 -4.019 4.998 213 HG21 THR 504 HG21 THR 504 -2.864 -1.827 5.097 214 HG22 THR 504 HG22 THR 504 -2.770 -2.293 3.400 215 HG23 THR 504 HG23 THR 504 -1.441 -1.406 4.144 216 H TRP 505 HN TRP 505 -1.525 -6.196 2.843 217 HA TRP 505 HA TRP 505 -2.476 -5.232 0.245 218 HB2 TRP 505 HB2 TRP 505 -2.351 -7.992 1.469 219 HB3 TRP 505 HB1 TRP 505 -3.098 -7.656 -0.082 220 HD1 TRP 505 HD1 TRP 505 0.113 -8.654 1.411 221 HE1 TRP 505 HE1 TRP 505 1.962 -8.641 -0.376 222 HE3 TRP 505 HE3 TRP 505 -2.309 -6.027 -2.227 223 HZ2 TRP 505 HZ2 TRP 505 2.343 -7.640 -2.989 224 HZ3 TRP 505 HZ3 TRP 505 -1.138 -5.597 -4.343 225 HH2 TRP 505 HH2 TRP 505 1.124 -6.385 -4.728 226 H GLU 506 HN GLU 506 -3.550 -5.668 3.386 227 HA GLU 506 HA GLU 506 -6.299 -6.279 2.539 228 HB2 GLU 506 HB2 GLU 506 -4.963 -8.053 3.785 229 HB3 GLU 506 HB1 GLU 506 -5.054 -7.001 5.186 230 HG2 GLU 506 HG2 GLU 506 -7.360 -7.275 5.388 231 HG3 GLU 506 HG1 GLU 506 -7.521 -7.908 3.748 232 H ASP 507 HN ASP 507 -7.975 -5.496 3.825 233 HA ASP 507 HA ASP 507 -7.954 -2.775 4.042 234 HB2 ASP 507 HB2 ASP 507 -10.027 -3.856 3.764 235 HB3 ASP 507 HB1 ASP 507 -9.768 -4.892 5.159 236 HA PRO 508 HA PRO 508 -5.692 -1.892 7.816 237 HB2 PRO 508 HB2 PRO 508 -6.842 0.641 8.056 238 HB3 PRO 508 HB1 PRO 508 -5.347 0.253 7.200 239 HG2 PRO 508 HG2 PRO 508 -8.116 0.592 6.126 240 HG3 PRO 508 HG1 PRO 508 -6.567 1.111 5.430 241 HD2 PRO 508 HD2 PRO 508 -7.800 -1.028 4.478 242 HD3 PRO 508 HD1 PRO 508 -6.041 -1.044 4.699 243 H ARG 509 HN ARG 509 -9.149 -1.740 7.422 244 HA ARG 509 HA ARG 509 -10.863 -2.151 8.844 245 HB2 ARG 509 HB2 ARG 509 -8.799 -3.715 9.817 246 HB3 ARG 509 HB1 ARG 509 -9.320 -2.818 11.235 247 HG2 ARG 509 HG2 ARG 509 -10.473 -4.946 11.051 248 HG3 ARG 509 HG1 ARG 509 -11.600 -3.593 10.903 249 HD2 ARG 509 HD2 ARG 509 -11.596 -3.829 8.488 250 HD3 ARG 509 HD1 ARG 509 -10.403 -5.121 8.598 251 HE ARG 509 HE ARG 509 -12.410 -6.083 10.100 252 HH11 ARG 509 HH11 ARG 509 -12.372 -4.626 6.904 253 HH12 ARG 509 HH12 ARG 509 -13.708 -5.584 6.327 254 HH21 ARG 509 HH21 ARG 509 -14.135 -7.333 9.344 255 HH22 ARG 509 HH22 ARG 509 -14.698 -7.153 7.708 256 H1 ARG 925 HT1 ARG 925 -1.877 -19.091 -0.614 257 H2 ARG 925 HT2 ARG 925 -0.816 -18.001 -1.361 258 H3 ARG 925 HT3 ARG 925 -2.490 -17.734 -1.422 259 HA ARG 925 HA ARG 925 -2.570 -17.394 0.946 260 HB2 ARG 925 HB2 ARG 925 0.400 -17.890 0.724 261 HB3 ARG 925 HB1 ARG 925 -0.332 -17.088 2.106 262 HG2 ARG 925 HG2 ARG 925 -1.629 -19.067 2.605 263 HG3 ARG 925 HG1 ARG 925 -0.988 -19.873 1.171 264 HD2 ARG 925 HD2 ARG 925 0.619 -18.923 3.539 265 HD3 ARG 925 HD1 ARG 925 0.170 -20.594 3.197 266 HE ARG 925 HE ARG 925 1.980 -18.973 1.509 267 HH11 ARG 925 HH11 ARG 925 0.936 -22.037 2.851 268 HH12 ARG 925 HH12 ARG 925 2.206 -22.946 2.084 269 HH21 ARG 925 HH21 ARG 925 3.656 -20.145 0.529 270 HH22 ARG 925 HH22 ARG 925 3.778 -21.857 0.781 271 H LEU 926 HN LEU 926 -1.843 -15.324 1.988 272 HA LEU 926 HA LEU 926 -1.317 -13.319 -0.074 273 HB2 LEU 926 HB2 LEU 926 -3.176 -13.017 1.547 274 HB3 LEU 926 HB1 LEU 926 -2.016 -13.016 2.857 275 HG LEU 926 HG LEU 926 -1.796 -10.956 0.686 276 HD11 LEU 926 HD11 LEU 926 -3.265 -9.487 1.982 277 HD12 LEU 926 HD12 LEU 926 -3.630 -10.819 3.080 278 HD13 LEU 926 HD13 LEU 926 -4.134 -10.904 1.391 279 HD21 LEU 926 HD21 LEU 926 -0.875 -9.616 2.515 280 HD22 LEU 926 HD22 LEU 926 0.001 -11.137 2.339 281 HD23 LEU 926 HD23 LEU 926 -1.173 -10.940 3.642 282 H ASP 927 HN ASP 927 0.712 -12.695 -0.435 283 HA ASP 927 HA ASP 927 2.691 -13.080 1.704 284 HB2 ASP 927 HB2 ASP 927 3.062 -12.963 -1.301 285 HB3 ASP 927 HB1 ASP 927 4.385 -13.035 -0.145 286 H LEU 928 HN LEU 928 3.414 -11.329 2.659 287 HA LEU 928 HA LEU 928 2.847 -8.718 1.463 288 HB2 LEU 928 HB2 LEU 928 2.050 -9.379 3.775 289 HB3 LEU 928 HB1 LEU 928 3.722 -9.369 4.283 290 HG LEU 928 HG LEU 928 2.363 -7.333 4.890 291 HD11 LEU 928 HD11 LEU 928 4.785 -7.279 4.944 292 HD12 LEU 928 HD12 LEU 928 4.139 -5.740 4.374 293 HD13 LEU 928 HD13 LEU 928 4.832 -6.886 3.226 294 HD21 LEU 928 HD21 LEU 928 2.015 -5.641 3.168 295 HD22 LEU 928 HD22 LEU 928 1.112 -7.114 2.813 296 HD23 LEU 928 HD23 LEU 928 2.604 -6.762 1.941 297 HA PRO 929 HA PRO 929 7.290 -8.434 0.859 298 HB2 PRO 929 HB2 PRO 929 7.110 -6.263 -0.849 299 HB3 PRO 929 HB1 PRO 929 7.018 -7.952 -1.344 300 HG2 PRO 929 HG2 PRO 929 4.944 -5.973 -1.381 301 HG3 PRO 929 HG1 PRO 929 4.866 -7.653 -1.923 302 HD2 PRO 929 HD2 PRO 929 3.907 -6.448 0.573 303 HD3 PRO 929 HD1 PRO 929 3.466 -7.995 -0.177 304 HA PRO 930 HA PRO 930 8.268 -5.285 3.920 305 HB2 PRO 930 HB2 PRO 930 10.922 -5.076 3.080 306 HB3 PRO 930 HB1 PRO 930 10.323 -6.197 4.304 307 HG2 PRO 930 HG2 PRO 930 10.890 -6.668 1.412 308 HG3 PRO 930 HG1 PRO 930 11.158 -7.741 2.801 309 HD2 PRO 930 HD2 PRO 930 9.101 -8.122 1.135 310 HD3 PRO 930 HD1 PRO 930 8.927 -8.391 2.883 311 H TYR 931 HN TYR 931 8.360 -3.063 3.834 312 HA TYR 931 HA TYR 931 7.609 -1.837 1.428 313 HB2 TYR 931 HB2 TYR 931 6.990 -0.939 3.610 314 HB3 TYR 931 HB1 TYR 931 8.675 -0.652 4.007 315 HD1 TYR 931 HD1 TYR 931 5.881 0.506 1.827 316 HD2 TYR 931 HD2 TYR 931 9.743 1.360 3.394 317 HE1 TYR 931 HE1 TYR 931 5.671 2.815 1.061 318 HE2 TYR 931 HE2 TYR 931 9.546 3.676 2.605 319 HH TYR 931 HH TYR 931 8.333 5.010 1.059 320 H GLU 932 HN GLU 932 8.802 -1.530 -0.256 321 HA GLU 932 HA GLU 932 11.562 -0.554 0.012 322 HB2 GLU 932 HB2 GLU 932 10.074 -1.917 -2.238 323 HB3 GLU 932 HB1 GLU 932 11.568 -1.036 -2.523 324 HG2 GLU 932 HG2 GLU 932 11.386 -3.247 -0.506 325 HG3 GLU 932 HG1 GLU 932 11.725 -3.550 -2.209 326 H THR 933 HN THR 933 11.881 1.611 -0.490 327 HA THR 933 HA THR 933 9.426 3.026 -0.847 328 HB THR 933 HB THR 933 12.090 4.393 -0.994 329 HG1 THR 933 HG1 THR 933 11.991 3.001 0.896 330 HG21 THR 933 HG21 THR 933 10.711 6.183 0.110 331 HG22 THR 933 HG22 THR 933 9.294 5.145 -0.100 332 HG23 THR 933 HG23 THR 933 10.162 5.752 -1.510 333 H PHE 934 HN PHE 934 8.493 3.349 -2.543 334 HA PHE 934 HA PHE 934 9.807 3.663 -5.119 335 HB2 PHE 934 HB2 PHE 934 7.609 3.350 -6.092 336 HB3 PHE 934 HB1 PHE 934 7.835 2.091 -4.880 337 HD1 PHE 934 HD1 PHE 934 6.512 2.087 -2.820 338 HD2 PHE 934 HD2 PHE 934 6.125 5.150 -5.747 339 HE1 PHE 934 HE1 PHE 934 4.535 2.951 -1.674 340 HE2 PHE 934 HE2 PHE 934 4.126 5.987 -4.619 341 HZ PHE 934 HZ PHE 934 3.370 4.899 -2.588 342 H GLU 935 HN GLU 935 8.174 5.479 -6.368 343 HA GLU 935 HA GLU 935 9.437 7.840 -5.763 344 HB2 GLU 935 HB2 GLU 935 7.660 8.924 -7.104 345 HB3 GLU 935 HB1 GLU 935 8.274 7.456 -7.855 346 HG2 GLU 935 HG2 GLU 935 5.909 7.079 -6.093 347 HG3 GLU 935 HG1 GLU 935 5.650 8.040 -7.568 348 H ASP 936 HN ASP 936 9.034 9.639 -4.584 349 HA ASP 936 HA ASP 936 7.236 9.494 -2.347 350 HB2 ASP 936 HB2 ASP 936 9.356 10.546 -1.971 351 HB3 ASP 936 HB1 ASP 936 9.128 11.636 -3.335 352 H LEU 937 HN LEU 937 5.288 10.403 -2.126 353 HA LEU 937 HA LEU 937 4.175 11.822 -4.428 354 HB2 LEU 937 HB2 LEU 937 2.933 10.443 -2.061 355 HB3 LEU 937 HB1 LEU 937 2.001 11.497 -3.104 356 HG LEU 937 HG LEU 937 1.628 9.199 -3.719 357 HD11 LEU 937 HD11 LEU 937 3.360 10.615 -5.741 358 HD12 LEU 937 HD12 LEU 937 1.625 10.834 -5.514 359 HD13 LEU 937 HD13 LEU 937 2.251 9.288 -6.088 360 HD21 LEU 937 HD21 LEU 937 4.610 9.019 -4.123 361 HD22 LEU 937 HD22 LEU 937 3.437 7.784 -4.580 362 HD23 LEU 937 HD23 LEU 937 3.662 8.199 -2.881 363 HN1 NH2 938 H1 LEU 937 3.324 12.116 -1.021 364 HN2 NH2 938 H2 LEU 937 3.533 13.829 -0.916 Start of MODEL 17 1 H PHE 478 HT1 PHE 478 -9.451 9.925 -1.685 2 HA PHE 478 HA PHE 478 -11.193 7.752 -2.689 3 HB2 PHE 478 HB2 PHE 478 -8.181 8.099 -2.695 4 HB3 PHE 478 HB1 PHE 478 -9.011 6.605 -3.133 5 HD1 PHE 478 HD1 PHE 478 -10.626 6.690 -5.098 6 HD2 PHE 478 HD2 PHE 478 -7.800 9.761 -4.272 7 HE1 PHE 478 HE1 PHE 478 -10.811 7.480 -7.423 8 HE2 PHE 478 HE2 PHE 478 -7.979 10.559 -6.592 9 HZ PHE 478 HZ PHE 478 -9.490 9.416 -8.169 10 H LEU 479 HN LEU 479 -8.270 6.908 -1.169 11 HA LEU 479 HA LEU 479 -9.704 6.286 1.302 12 HB2 LEU 479 HB2 LEU 479 -8.023 4.639 1.773 13 HB3 LEU 479 HB1 LEU 479 -8.604 4.398 0.144 14 HG LEU 479 HG LEU 479 -5.993 5.765 0.800 15 HD11 LEU 479 HD11 LEU 479 -6.457 2.919 -0.082 16 HD12 LEU 479 HD12 LEU 479 -6.076 3.404 1.567 17 HD13 LEU 479 HD13 LEU 479 -4.907 3.682 0.276 18 HD21 LEU 479 HD21 LEU 479 -6.922 6.312 -1.404 19 HD22 LEU 479 HD22 LEU 479 -7.042 4.590 -1.771 20 HD23 LEU 479 HD23 LEU 479 -5.461 5.333 -1.529 21 HA PRO 480 HA PRO 480 -8.022 9.171 4.096 22 HB2 PRO 480 HB2 PRO 480 -6.171 7.017 5.032 23 HB3 PRO 480 HB1 PRO 480 -7.065 8.193 5.994 24 HG2 PRO 480 HG2 PRO 480 -7.988 5.732 5.742 25 HG3 PRO 480 HG1 PRO 480 -9.101 7.110 5.632 26 HD2 PRO 480 HD2 PRO 480 -8.091 5.319 3.492 27 HD3 PRO 480 HD1 PRO 480 -9.615 6.215 3.594 28 HA PRO 481 HA PRO 481 -4.915 11.280 2.000 29 HB2 PRO 481 HB2 PRO 481 -4.073 12.342 4.648 30 HB3 PRO 481 HB1 PRO 481 -4.517 13.205 3.172 31 HG2 PRO 481 HG2 PRO 481 -6.221 13.064 5.194 32 HG3 PRO 481 HG1 PRO 481 -6.795 12.895 3.524 33 HD2 PRO 481 HD2 PRO 481 -6.362 10.792 5.604 34 HD3 PRO 481 HD1 PRO 481 -7.648 10.931 4.388 35 H GLY 482 HN GLY 482 -3.744 9.336 4.711 36 HA2 GLY 482 HA2 GLY 482 -1.035 9.551 3.554 37 HA3 GLY 482 HA1 GLY 482 -1.358 9.050 5.198 38 H TRP 483 HN TRP 483 -3.663 7.630 3.418 39 HA TRP 483 HA TRP 483 -2.161 5.135 3.239 40 HB2 TRP 483 HB2 TRP 483 -5.102 5.791 3.153 41 HB3 TRP 483 HB1 TRP 483 -4.487 4.211 2.693 42 HD1 TRP 483 HD1 TRP 483 -4.606 6.516 5.793 43 HE1 TRP 483 HE1 TRP 483 -4.588 5.026 7.892 44 HE3 TRP 483 HE3 TRP 483 -3.933 1.981 3.554 45 HZ2 TRP 483 HZ2 TRP 483 -4.333 2.293 8.486 46 HZ3 TRP 483 HZ3 TRP 483 -3.768 -0.020 4.967 47 HH2 TRP 483 HH2 TRP 483 -3.948 0.136 7.393 48 H GLU 484 HN GLU 484 -1.255 4.667 1.405 49 HA GLU 484 HA GLU 484 -2.286 5.872 -1.070 50 HB2 GLU 484 HB2 GLU 484 0.212 5.965 -0.026 51 HB3 GLU 484 HB1 GLU 484 0.347 4.527 -1.018 52 HG2 GLU 484 HG2 GLU 484 -0.470 7.255 -1.955 53 HG3 GLU 484 HG1 GLU 484 1.101 6.505 -2.195 54 H MET 485 HN MET 485 -2.498 4.533 -2.929 55 HA MET 485 HA MET 485 -2.613 1.655 -2.305 56 HB2 MET 485 HB2 MET 485 -4.862 2.781 -2.594 57 HB3 MET 485 HB1 MET 485 -4.416 3.082 -4.265 58 HG2 MET 485 HG2 MET 485 -4.431 0.317 -3.108 59 HG3 MET 485 HG1 MET 485 -5.886 1.061 -3.760 60 HE1 MET 485 HE1 MET 485 -4.867 1.645 -7.502 61 HE2 MET 485 HE2 MET 485 -4.668 2.772 -6.160 62 HE3 MET 485 HE3 MET 485 -6.144 1.816 -6.298 63 H ARG 486 HN ARG 486 -0.870 0.819 -3.231 64 HA ARG 486 HA ARG 486 -0.188 1.741 -5.944 65 HB2 ARG 486 HB2 ARG 486 1.499 2.325 -4.254 66 HB3 ARG 486 HB1 ARG 486 1.687 0.629 -3.850 67 HG2 ARG 486 HG2 ARG 486 3.490 1.440 -5.290 68 HG3 ARG 486 HG1 ARG 486 2.543 0.180 -6.085 69 HD2 ARG 486 HD2 ARG 486 3.206 2.448 -7.313 70 HD3 ARG 486 HD1 ARG 486 1.685 1.615 -7.635 71 HE ARG 486 HE ARG 486 1.542 3.525 -5.489 72 HH11 ARG 486 HH11 ARG 486 1.416 3.261 -8.992 73 HH12 ARG 486 HH12 ARG 486 0.220 4.515 -9.137 74 HH21 ARG 486 HH21 ARG 486 -0.012 5.115 -5.697 75 HH22 ARG 486 HH22 ARG 486 -0.592 5.537 -7.283 76 H ILE 487 HN ILE 487 0.163 0.302 -7.480 77 HA ILE 487 HA ILE 487 -0.684 -2.436 -6.842 78 HB ILE 487 HB ILE 487 -1.019 -2.701 -9.291 79 HG12 ILE 487 HG12 ILE 487 -0.432 0.269 -9.358 80 HG13 ILE 487 HG11 ILE 487 0.606 -0.987 -10.025 81 HG21 ILE 487 HG21 ILE 487 -3.039 -1.307 -9.390 82 HG22 ILE 487 HG22 ILE 487 -2.474 -0.408 -7.980 83 HG23 ILE 487 HG23 ILE 487 -2.866 -2.122 -7.836 84 HD11 ILE 487 HD11 ILE 487 -1.144 -1.590 -11.612 85 HD12 ILE 487 HD12 ILE 487 -0.693 0.110 -11.759 86 HD13 ILE 487 HD13 ILE 487 -2.187 -0.338 -10.937 87 H ALA 488 HN ALA 488 0.468 -4.241 -7.318 88 HA ALA 488 HA ALA 488 3.216 -3.969 -8.210 89 HB1 ALA 488 HB1 ALA 488 3.408 -6.359 -7.776 90 HB2 ALA 488 HB2 ALA 488 1.682 -6.434 -7.428 91 HB3 ALA 488 HB3 ALA 488 2.754 -5.509 -6.376 92 HA PRO 489 HA PRO 489 2.615 -4.325 -12.472 93 HB2 PRO 489 HB2 PRO 489 4.460 -6.657 -12.566 94 HB3 PRO 489 HB1 PRO 489 4.515 -5.135 -13.461 95 HG2 PRO 489 HG2 PRO 489 6.161 -5.544 -11.425 96 HG3 PRO 489 HG1 PRO 489 5.403 -3.960 -11.665 97 HD2 PRO 489 HD2 PRO 489 4.730 -6.107 -9.696 98 HD3 PRO 489 HD1 PRO 489 4.728 -4.344 -9.487 99 H ASN 490 HN ASN 490 1.675 -7.005 -10.619 100 HA ASN 490 HA ASN 490 0.610 -8.426 -12.961 101 HB2 ASN 490 HB2 ASN 490 1.948 -9.511 -10.948 102 HB3 ASN 490 HB1 ASN 490 0.373 -9.485 -10.166 103 HD21 ASN 490 HD21 ASN 490 -1.123 -9.971 -12.611 104 HD22 ASN 490 HD22 ASN 490 -0.843 -11.629 -13.036 105 H GLY 491 HN GLY 491 -0.376 -5.932 -11.197 106 HA2 GLY 491 HA2 GLY 491 -2.569 -5.059 -11.118 107 HA3 GLY 491 HA1 GLY 491 -3.201 -6.679 -11.396 108 H ARG 492 HN ARG 492 -0.851 -5.629 -9.019 109 HA ARG 492 HA ARG 492 -2.432 -7.018 -6.957 110 HB2 ARG 492 HB2 ARG 492 -0.048 -7.689 -7.749 111 HB3 ARG 492 HB1 ARG 492 0.484 -6.312 -6.805 112 HG2 ARG 492 HG2 ARG 492 0.803 -8.033 -5.407 113 HG3 ARG 492 HG1 ARG 492 -0.773 -7.426 -4.881 114 HD2 ARG 492 HD2 ARG 492 -0.326 -9.773 -6.727 115 HD3 ARG 492 HD1 ARG 492 -0.748 -9.880 -5.018 116 HE ARG 492 HE ARG 492 -2.808 -8.520 -5.789 117 HH11 ARG 492 HH11 ARG 492 -1.213 -11.038 -7.621 118 HH12 ARG 492 HH12 ARG 492 -2.645 -11.513 -8.484 119 HH21 ARG 492 HH21 ARG 492 -4.702 -9.133 -6.927 120 HH22 ARG 492 HH22 ARG 492 -4.637 -10.431 -8.080 121 HA PRO 493 HA PRO 493 -2.459 -2.726 -5.434 122 HB2 PRO 493 HB2 PRO 493 -4.955 -2.839 -4.310 123 HB3 PRO 493 HB1 PRO 493 -4.639 -2.472 -6.005 124 HG2 PRO 493 HG2 PRO 493 -5.863 -4.832 -4.853 125 HG3 PRO 493 HG1 PRO 493 -5.738 -4.365 -6.553 126 HD2 PRO 493 HD2 PRO 493 -4.136 -6.277 -5.039 127 HD3 PRO 493 HD1 PRO 493 -4.215 -6.022 -6.793 128 H PHE 494 HN PHE 494 -1.239 -2.348 -3.706 129 HA PHE 494 HA PHE 494 -2.108 -3.470 -1.125 130 HB2 PHE 494 HB2 PHE 494 0.267 -3.298 -0.366 131 HB3 PHE 494 HB1 PHE 494 0.012 -4.487 -1.632 132 HD1 PHE 494 HD2 PHE 494 1.234 -1.030 -1.028 133 HD2 PHE 494 HD1 PHE 494 1.279 -4.433 -3.583 134 HE1 PHE 494 HE2 PHE 494 3.062 -0.009 -2.333 135 HE2 PHE 494 HE1 PHE 494 3.113 -3.435 -4.883 136 HZ PHE 494 HZ PHE 494 4.005 -1.226 -4.262 137 H PHE 495 HN PHE 495 -1.966 -2.120 0.686 138 HA PHE 495 HA PHE 495 -2.097 0.728 0.028 139 HB2 PHE 495 HB2 PHE 495 -2.710 -0.590 2.675 140 HB3 PHE 495 HB1 PHE 495 -3.133 1.041 2.176 141 HD1 PHE 495 HD1 PHE 495 -4.128 0.248 -0.633 142 HD2 PHE 495 HD2 PHE 495 -4.839 -1.294 3.258 143 HE1 PHE 495 HE1 PHE 495 -6.330 -0.574 -1.366 144 HE2 PHE 495 HE2 PHE 495 -7.032 -2.124 2.556 145 HZ PHE 495 HZ PHE 495 -7.784 -1.771 0.226 146 H ILE 496 HN ILE 496 -0.755 2.215 0.886 147 HA ILE 496 HA ILE 496 1.328 1.301 2.752 148 HB ILE 496 HB ILE 496 1.768 3.530 0.780 149 HG12 ILE 496 HG12 ILE 496 3.314 1.720 -0.333 150 HG13 ILE 496 HG11 ILE 496 2.175 0.586 0.388 151 HG21 ILE 496 HG21 ILE 496 3.189 3.519 2.741 152 HG22 ILE 496 HG22 ILE 496 4.129 3.125 1.302 153 HG23 ILE 496 HG23 ILE 496 3.652 1.847 2.421 154 HD11 ILE 496 HD11 ILE 496 1.585 1.079 -1.911 155 HD12 ILE 496 HD12 ILE 496 1.496 2.801 -1.537 156 HD13 ILE 496 HD13 ILE 496 0.345 1.680 -0.809 157 H ASP 497 HN ASP 497 0.731 2.162 4.675 158 HA ASP 497 HA ASP 497 -0.331 4.871 4.626 159 HB2 ASP 497 HB2 ASP 497 -0.951 4.658 6.853 160 HB3 ASP 497 HB1 ASP 497 -1.250 3.051 6.203 161 H HIS 498 HN HIS 498 0.862 6.519 4.805 162 HA HIS 498 HA HIS 498 3.701 6.087 4.916 163 HB2 HIS 498 HB2 HIS 498 2.034 8.497 4.224 164 HB3 HIS 498 HB1 HIS 498 3.796 8.537 4.283 165 HD1 HIS 498 HD1 HIS 498 5.087 7.294 2.420 166 HD2 HIS 498 HD2 HIS 498 0.938 7.028 2.050 167 HE1 HIS 498 HE1 HIS 498 4.673 6.262 0.169 168 HE2 HIS 498 HE2 HIS 498 2.165 6.203 -0.079 169 H ASN 499 HN ASN 499 1.407 6.764 7.236 170 HA ASN 499 HA ASN 499 3.038 8.587 8.752 171 HB2 ASN 499 HB2 ASN 499 1.311 8.490 10.469 172 HB3 ASN 499 HB1 ASN 499 0.607 8.791 8.889 173 HD21 ASN 499 HD21 ASN 499 -0.660 7.188 7.923 174 HD22 ASN 499 HD22 ASN 499 -1.290 5.856 8.824 175 H THR 500 HN THR 500 2.013 5.141 9.274 176 HA THR 500 HA THR 500 4.118 4.851 11.243 177 HB THR 500 HB THR 500 3.551 2.523 11.407 178 HG1 THR 500 HG1 THR 500 1.800 2.898 9.173 179 HG21 THR 500 HG21 THR 500 2.025 4.053 12.535 180 HG22 THR 500 HG22 THR 500 1.166 2.626 11.956 181 HG23 THR 500 HG23 THR 500 1.033 4.152 11.081 182 H LYS 501 HN LYS 501 3.785 4.644 7.869 183 HA LYS 501 HA LYS 501 5.242 4.286 6.174 184 HB2 LYS 501 HB2 LYS 501 6.904 5.375 7.724 185 HB3 LYS 501 HB1 LYS 501 7.364 3.770 8.266 186 HG2 LYS 501 HG2 LYS 501 8.239 3.205 6.136 187 HG3 LYS 501 HG1 LYS 501 7.523 4.641 5.394 188 HD2 LYS 501 HD2 LYS 501 9.633 4.706 7.551 189 HD3 LYS 501 HD1 LYS 501 9.966 4.848 5.823 190 HE2 LYS 501 HE2 LYS 501 8.687 6.864 5.676 191 HE3 LYS 501 HE1 LYS 501 8.110 6.678 7.331 192 HZ1 LYS 501 HZ1 LYS 501 10.306 7.066 8.156 193 HZ2 LYS 501 HZ2 LYS 501 9.907 8.324 7.088 194 HZ3 LYS 501 HZ3 LYS 501 10.956 7.089 6.586 195 H THR 502 HN THR 502 3.549 2.386 6.743 196 HA THR 502 HA THR 502 5.063 -0.120 6.423 197 HB THR 502 HB THR 502 2.426 0.121 7.890 198 HG1 THR 502 HG1 THR 502 3.762 0.963 9.351 199 HG21 THR 502 HG21 THR 502 2.925 -2.160 8.639 200 HG22 THR 502 HG22 THR 502 4.407 -2.151 7.684 201 HG23 THR 502 HG23 THR 502 2.839 -2.072 6.880 202 H THR 503 HN THR 503 4.133 -1.631 4.973 203 HA THR 503 HA THR 503 1.782 -0.659 3.502 204 HB THR 503 HB THR 503 3.694 -0.515 2.031 205 HG1 THR 503 HG1 THR 503 1.610 -1.409 1.272 206 HG21 THR 503 HG21 THR 503 5.164 -2.141 3.126 207 HG22 THR 503 HG22 THR 503 5.021 -2.457 1.397 208 HG23 THR 503 HG23 THR 503 4.138 -3.457 2.553 209 H THR 504 HN THR 504 0.185 -2.120 3.009 210 HA THR 504 HA THR 504 0.402 -4.870 3.918 211 HB THR 504 HB THR 504 -0.153 -3.765 5.995 212 HG1 THR 504 HG1 THR 504 -2.624 -4.590 5.895 213 HG21 THR 504 HG21 THR 504 -2.159 -2.390 6.239 214 HG22 THR 504 HG22 THR 504 -2.484 -2.550 4.514 215 HG23 THR 504 HG23 THR 504 -1.047 -1.687 5.063 216 H TRP 505 HN TRP 505 -1.351 -6.188 3.189 217 HA TRP 505 HA TRP 505 -2.378 -5.266 0.663 218 HB2 TRP 505 HB2 TRP 505 -2.655 -7.921 2.080 219 HB3 TRP 505 HB1 TRP 505 -3.251 -7.594 0.456 220 HD1 TRP 505 HD1 TRP 505 -0.241 -8.811 2.234 221 HE1 TRP 505 HE1 TRP 505 1.752 -8.988 0.609 222 HE3 TRP 505 HE3 TRP 505 -2.176 -6.197 -1.706 223 HZ2 TRP 505 HZ2 TRP 505 2.416 -8.116 -1.996 224 HZ3 TRP 505 HZ3 TRP 505 -0.800 -5.916 -3.727 225 HH2 TRP 505 HH2 TRP 505 1.441 -6.850 -3.875 226 H GLU 506 HN GLU 506 -4.150 -7.068 3.185 227 HA GLU 506 HA GLU 506 -6.573 -5.663 2.359 228 HB2 GLU 506 HB2 GLU 506 -7.747 -7.422 3.716 229 HB3 GLU 506 HB1 GLU 506 -6.861 -8.024 2.326 230 HG2 GLU 506 HG2 GLU 506 -5.045 -8.745 3.766 231 HG3 GLU 506 HG1 GLU 506 -5.883 -8.089 5.172 232 H ASP 507 HN ASP 507 -7.040 -3.931 3.259 233 HA ASP 507 HA ASP 507 -7.022 -3.747 6.064 234 HB2 ASP 507 HB2 ASP 507 -4.776 -2.816 4.539 235 HB3 ASP 507 HB1 ASP 507 -5.498 -1.479 5.430 236 HA PRO 508 HA PRO 508 -9.915 -0.267 6.288 237 HB2 PRO 508 HB2 PRO 508 -8.359 2.090 5.740 238 HB3 PRO 508 HB1 PRO 508 -8.920 1.482 7.291 239 HG2 PRO 508 HG2 PRO 508 -6.364 1.037 5.867 240 HG3 PRO 508 HG1 PRO 508 -6.659 1.251 7.594 241 HD2 PRO 508 HD2 PRO 508 -6.134 -1.139 6.722 242 HD3 PRO 508 HD1 PRO 508 -7.533 -0.945 7.806 243 H ARG 509 HN ARG 509 -7.991 -0.365 3.411 244 HA ARG 509 HA ARG 509 -8.474 -0.206 1.246 245 HB2 ARG 509 HB2 ARG 509 -10.631 -0.634 0.414 246 HB3 ARG 509 HB1 ARG 509 -10.497 -1.526 1.912 247 HG2 ARG 509 HG2 ARG 509 -12.657 -0.679 1.935 248 HG3 ARG 509 HG1 ARG 509 -11.764 0.423 2.981 249 HD2 ARG 509 HD2 ARG 509 -11.508 1.941 1.001 250 HD3 ARG 509 HD1 ARG 509 -12.605 0.878 0.122 251 HE ARG 509 HE ARG 509 -14.371 1.614 1.451 252 HH11 ARG 509 HH11 ARG 509 -11.326 3.035 2.485 253 HH12 ARG 509 HH12 ARG 509 -12.103 4.312 3.380 254 HH21 ARG 509 HH21 ARG 509 -15.374 3.304 2.620 255 HH22 ARG 509 HH22 ARG 509 -14.387 4.483 3.440 256 H1 ARG 925 HT1 ARG 925 -0.930 -18.108 1.909 257 H2 ARG 925 HT2 ARG 925 -0.530 -18.647 3.464 258 H3 ARG 925 HT3 ARG 925 0.695 -18.388 2.320 259 HA ARG 925 HA ARG 925 -1.058 -16.313 3.500 260 HB2 ARG 925 HB2 ARG 925 0.654 -17.201 5.050 261 HB3 ARG 925 HB1 ARG 925 1.902 -16.851 3.865 262 HG2 ARG 925 HG2 ARG 925 1.524 -14.491 4.075 263 HG3 ARG 925 HG1 ARG 925 0.124 -14.768 5.112 264 HD2 ARG 925 HD2 ARG 925 2.962 -15.544 5.779 265 HD3 ARG 925 HD1 ARG 925 2.128 -14.115 6.388 266 HE ARG 925 HE ARG 925 0.916 -16.730 6.904 267 HH11 ARG 925 HH11 ARG 925 2.794 -14.023 8.120 268 HH12 ARG 925 HH12 ARG 925 2.423 -14.368 9.784 269 HH21 ARG 925 HH21 ARG 925 0.457 -17.176 9.101 270 HH22 ARG 925 HH22 ARG 925 1.104 -16.138 10.341 271 H LEU 926 HN LEU 926 -1.013 -14.357 2.529 272 HA LEU 926 HA LEU 926 -0.053 -14.178 -0.146 273 HB2 LEU 926 HB2 LEU 926 -1.162 -12.075 1.721 274 HB3 LEU 926 HB1 LEU 926 -0.736 -11.758 0.054 275 HG LEU 926 HG LEU 926 -3.074 -12.032 0.081 276 HD11 LEU 926 HD11 LEU 926 -1.870 -14.645 -0.807 277 HD12 LEU 926 HD12 LEU 926 -2.005 -13.172 -1.769 278 HD13 LEU 926 HD13 LEU 926 -3.458 -14.031 -1.263 279 HD21 LEU 926 HD21 LEU 926 -4.217 -13.960 1.062 280 HD22 LEU 926 HD22 LEU 926 -3.315 -13.050 2.274 281 HD23 LEU 926 HD23 LEU 926 -2.674 -14.571 1.657 282 H ASP 927 HN ASP 927 1.924 -13.682 -0.808 283 HA ASP 927 HA ASP 927 4.020 -13.056 0.969 284 HB2 ASP 927 HB2 ASP 927 4.458 -14.211 -1.125 285 HB3 ASP 927 HB1 ASP 927 3.903 -12.815 -2.043 286 H LEU 928 HN LEU 928 4.473 -11.225 1.910 287 HA LEU 928 HA LEU 928 3.660 -8.699 0.645 288 HB2 LEU 928 HB2 LEU 928 2.698 -9.080 2.859 289 HB3 LEU 928 HB1 LEU 928 4.294 -9.341 3.530 290 HG LEU 928 HG LEU 928 4.860 -6.974 2.977 291 HD11 LEU 928 HD11 LEU 928 3.030 -5.427 2.482 292 HD12 LEU 928 HD12 LEU 928 1.919 -6.790 2.331 293 HD13 LEU 928 HD13 LEU 928 3.252 -6.606 1.191 294 HD21 LEU 928 HD21 LEU 928 2.472 -7.405 4.767 295 HD22 LEU 928 HD22 LEU 928 3.547 -6.006 4.806 296 HD23 LEU 928 HD23 LEU 928 4.165 -7.605 5.218 297 HA PRO 929 HA PRO 929 8.088 -8.181 0.095 298 HB2 PRO 929 HB2 PRO 929 7.455 -5.705 -1.268 299 HB3 PRO 929 HB1 PRO 929 8.079 -7.208 -1.951 300 HG2 PRO 929 HG2 PRO 929 5.572 -6.241 -2.445 301 HG3 PRO 929 HG1 PRO 929 5.994 -7.961 -2.515 302 HD2 PRO 929 HD2 PRO 929 4.625 -6.428 -0.339 303 HD3 PRO 929 HD1 PRO 929 4.294 -8.064 -0.953 304 HA PRO 930 HA PRO 930 8.875 -5.318 3.504 305 HB2 PRO 930 HB2 PRO 930 11.534 -4.919 2.718 306 HB3 PRO 930 HB1 PRO 930 10.971 -6.143 3.858 307 HG2 PRO 930 HG2 PRO 930 11.631 -6.406 0.966 308 HG3 PRO 930 HG1 PRO 930 11.870 -7.566 2.285 309 HD2 PRO 930 HD2 PRO 930 9.888 -7.851 0.493 310 HD3 PRO 930 HD1 PRO 930 9.671 -8.303 2.197 311 H TYR 931 HN TYR 931 8.764 -3.077 3.560 312 HA TYR 931 HA TYR 931 7.807 -1.902 1.217 313 HB2 TYR 931 HB2 TYR 931 7.170 -1.151 3.462 314 HB3 TYR 931 HB1 TYR 931 8.802 -0.566 3.744 315 HD1 TYR 931 HD2 TYR 931 6.709 -0.113 0.681 316 HD2 TYR 931 HD1 TYR 931 8.480 1.724 4.089 317 HE1 TYR 931 HE2 TYR 931 6.053 2.096 -0.171 318 HE2 TYR 931 HE1 TYR 931 7.824 3.932 3.248 319 HH TYR 931 HH TYR 931 7.236 5.021 1.181 320 H GLU 932 HN GLU 932 8.841 -1.368 -0.477 321 HA GLU 932 HA GLU 932 11.496 -0.101 -0.363 322 HB2 GLU 932 HB2 GLU 932 11.056 -2.175 -1.832 323 HB3 GLU 932 HB1 GLU 932 10.014 -1.138 -2.794 324 HG2 GLU 932 HG2 GLU 932 11.929 -0.978 -3.994 325 HG3 GLU 932 HG1 GLU 932 12.172 0.369 -2.880 326 H THR 933 HN THR 933 11.522 2.146 -0.935 327 HA THR 933 HA THR 933 8.911 3.287 -1.076 328 HB THR 933 HB THR 933 11.411 4.849 -1.685 329 HG1 THR 933 HG1 THR 933 11.839 3.954 0.303 330 HG21 THR 933 HG21 THR 933 10.027 6.676 -0.699 331 HG22 THR 933 HG22 THR 933 8.681 5.539 -0.567 332 HG23 THR 933 HG23 THR 933 9.311 5.977 -2.152 333 H PHE 934 HN PHE 934 7.734 3.405 -2.656 334 HA PHE 934 HA PHE 934 8.674 3.391 -5.410 335 HB2 PHE 934 HB2 PHE 934 6.417 2.800 -5.997 336 HB3 PHE 934 HB1 PHE 934 6.844 1.811 -4.602 337 HD1 PHE 934 HD1 PHE 934 6.000 2.460 -2.335 338 HD2 PHE 934 HD2 PHE 934 4.689 4.313 -5.924 339 HE1 PHE 934 HE1 PHE 934 4.095 3.444 -1.137 340 HE2 PHE 934 HE2 PHE 934 2.787 5.296 -4.737 341 HZ PHE 934 HZ PHE 934 2.520 4.870 -2.356 342 H GLU 935 HN GLU 935 6.806 4.893 -6.696 343 HA GLU 935 HA GLU 935 7.914 7.406 -6.560 344 HB2 GLU 935 HB2 GLU 935 5.817 8.164 -7.770 345 HB3 GLU 935 HB1 GLU 935 6.675 6.811 -8.493 346 HG2 GLU 935 HG2 GLU 935 4.466 6.151 -6.595 347 HG3 GLU 935 HG1 GLU 935 4.031 6.847 -8.168 348 H ASP 936 HN ASP 936 7.778 9.065 -5.253 349 HA ASP 936 HA ASP 936 6.182 8.941 -2.897 350 HB2 ASP 936 HB2 ASP 936 8.499 9.885 -2.984 351 HB3 ASP 936 HB1 ASP 936 7.858 11.257 -3.884 352 H LEU 937 HN LEU 937 4.498 10.181 -2.287 353 HA LEU 937 HA LEU 937 2.847 11.019 -4.513 354 HB2 LEU 937 HB2 LEU 937 2.215 10.620 -1.582 355 HB3 LEU 937 HB1 LEU 937 1.037 11.100 -2.792 356 HG LEU 937 HG LEU 937 0.738 8.787 -2.452 357 HD11 LEU 937 HD11 LEU 937 2.387 9.139 -4.946 358 HD12 LEU 937 HD12 LEU 937 0.655 9.429 -4.785 359 HD13 LEU 937 HD13 LEU 937 1.295 7.793 -4.617 360 HD21 LEU 937 HD21 LEU 937 3.710 8.440 -2.819 361 HD22 LEU 937 HD22 LEU 937 2.542 7.138 -2.597 362 HD23 LEU 937 HD23 LEU 937 2.826 8.302 -1.301 363 HN1 NH2 938 H1 LEU 937 3.205 12.998 -5.178 364 HN2 NH2 938 H2 LEU 937 3.261 14.413 -4.188 Start of MODEL 18 1 H PHE 478 HT1 PHE 478 -12.332 7.849 -2.677 2 HA PHE 478 HA PHE 478 -10.095 6.988 -2.752 3 HB2 PHE 478 HB2 PHE 478 -10.609 9.226 -3.715 4 HB3 PHE 478 HB1 PHE 478 -10.173 9.956 -2.177 5 HD1 PHE 478 HD1 PHE 478 -8.732 7.685 -4.752 6 HD2 PHE 478 HD2 PHE 478 -8.050 10.792 -1.924 7 HE1 PHE 478 HE1 PHE 478 -6.393 7.844 -5.496 8 HE2 PHE 478 HE2 PHE 478 -5.707 10.952 -2.663 9 HZ PHE 478 HZ PHE 478 -4.876 9.480 -4.452 10 H LEU 479 HN LEU 479 -8.232 6.503 -1.735 11 HA LEU 479 HA LEU 479 -8.126 6.197 1.003 12 HB2 LEU 479 HB2 LEU 479 -6.276 5.947 -1.239 13 HB3 LEU 479 HB1 LEU 479 -5.477 6.364 0.264 14 HG LEU 479 HG LEU 479 -6.502 4.392 1.343 15 HD11 LEU 479 HD11 LEU 479 -7.618 2.705 0.017 16 HD12 LEU 479 HD12 LEU 479 -7.421 3.676 -1.444 17 HD13 LEU 479 HD13 LEU 479 -8.481 4.237 -0.147 18 HD21 LEU 479 HD21 LEU 479 -5.029 3.644 -1.175 19 HD22 LEU 479 HD22 LEU 479 -5.057 2.769 0.358 20 HD23 LEU 479 HD23 LEU 479 -4.256 4.336 0.246 21 HA PRO 480 HA PRO 480 -7.164 10.063 3.093 22 HB2 PRO 480 HB2 PRO 480 -5.279 8.015 4.220 23 HB3 PRO 480 HB1 PRO 480 -6.138 9.285 5.085 24 HG2 PRO 480 HG2 PRO 480 -7.084 6.829 5.132 25 HG3 PRO 480 HG1 PRO 480 -8.198 8.185 4.882 26 HD2 PRO 480 HD2 PRO 480 -7.242 6.154 2.947 27 HD3 PRO 480 HD1 PRO 480 -8.757 7.076 2.963 28 HA PRO 481 HA PRO 481 -3.730 11.610 0.785 29 HB2 PRO 481 HB2 PRO 481 -2.700 13.420 2.589 30 HB3 PRO 481 HB1 PRO 481 -4.091 13.716 1.541 31 HG2 PRO 481 HG2 PRO 481 -4.024 12.880 4.413 32 HG3 PRO 481 HG1 PRO 481 -5.089 14.047 3.608 33 HD2 PRO 481 HD2 PRO 481 -5.935 11.576 4.209 34 HD3 PRO 481 HD1 PRO 481 -6.442 12.387 2.712 35 H GLY 482 HN GLY 482 -3.198 9.939 3.743 36 HA2 GLY 482 HA2 GLY 482 -0.345 9.690 3.023 37 HA3 GLY 482 HA1 GLY 482 -0.967 9.422 4.633 38 H TRP 483 HN TRP 483 -3.238 8.124 2.724 39 HA TRP 483 HA TRP 483 -1.973 5.475 2.792 40 HB2 TRP 483 HB2 TRP 483 -4.857 6.347 2.662 41 HB3 TRP 483 HB1 TRP 483 -4.374 4.709 2.251 42 HD1 TRP 483 HD1 TRP 483 -4.090 7.116 5.256 43 HE1 TRP 483 HE1 TRP 483 -4.281 5.747 7.405 44 HE3 TRP 483 HE3 TRP 483 -4.313 2.449 3.180 45 HZ2 TRP 483 HZ2 TRP 483 -4.494 3.006 8.133 46 HZ3 TRP 483 HZ3 TRP 483 -4.501 0.510 4.674 47 HH2 TRP 483 HH2 TRP 483 -4.587 0.785 7.097 48 H GLU 484 HN GLU 484 -1.224 4.691 0.961 49 HA GLU 484 HA GLU 484 -2.255 5.836 -1.548 50 HB2 GLU 484 HB2 GLU 484 0.382 5.905 -0.493 51 HB3 GLU 484 HB1 GLU 484 0.377 4.844 -1.881 52 HG2 GLU 484 HG2 GLU 484 -0.626 7.659 -1.861 53 HG3 GLU 484 HG1 GLU 484 0.944 7.150 -2.460 54 H MET 485 HN MET 485 -2.815 4.418 -3.098 55 HA MET 485 HA MET 485 -2.417 1.596 -2.395 56 HB2 MET 485 HB2 MET 485 -4.542 0.976 -3.221 57 HB3 MET 485 HB1 MET 485 -4.802 2.370 -2.197 58 HG2 MET 485 HG2 MET 485 -4.462 3.066 -4.972 59 HG3 MET 485 HG1 MET 485 -5.794 1.968 -4.722 60 HE1 MET 485 HE1 MET 485 -4.276 5.116 -2.747 61 HE2 MET 485 HE2 MET 485 -5.495 6.310 -3.201 62 HE3 MET 485 HE3 MET 485 -4.476 5.575 -4.438 63 H ARG 486 HN ARG 486 -1.003 0.697 -3.587 64 HA ARG 486 HA ARG 486 -0.603 1.696 -6.330 65 HB2 ARG 486 HB2 ARG 486 1.512 0.634 -4.453 66 HB3 ARG 486 HB1 ARG 486 1.771 1.317 -6.052 67 HG2 ARG 486 HG2 ARG 486 0.903 2.738 -3.558 68 HG3 ARG 486 HG1 ARG 486 2.382 2.973 -4.489 69 HD2 ARG 486 HD2 ARG 486 -0.430 3.722 -5.234 70 HD3 ARG 486 HD1 ARG 486 0.963 4.783 -5.030 71 HE ARG 486 HE ARG 486 1.241 2.807 -7.117 72 HH11 ARG 486 HH11 ARG 486 0.256 6.068 -6.291 73 HH12 ARG 486 HH12 ARG 486 0.314 6.620 -7.942 74 HH21 ARG 486 HH21 ARG 486 1.296 3.508 -9.254 75 HH22 ARG 486 HH22 ARG 486 0.890 5.146 -9.634 76 H ILE 487 HN ILE 487 0.121 0.215 -7.891 77 HA ILE 487 HA ILE 487 -0.945 -2.448 -7.369 78 HB ILE 487 HB ILE 487 -0.043 -1.201 -9.972 79 HG12 ILE 487 HG12 ILE 487 -2.067 -0.167 -8.975 80 HG13 ILE 487 HG11 ILE 487 -2.419 -1.017 -10.478 81 HG21 ILE 487 HG21 ILE 487 -1.146 -3.103 -11.048 82 HG22 ILE 487 HG22 ILE 487 -1.502 -3.795 -9.464 83 HG23 ILE 487 HG23 ILE 487 0.170 -3.639 -10.002 84 HD11 ILE 487 HD11 ILE 487 -4.148 -1.450 -8.861 85 HD12 ILE 487 HD12 ILE 487 -2.955 -2.010 -7.687 86 HD13 ILE 487 HD13 ILE 487 -3.237 -2.931 -9.165 87 H ALA 488 HN ALA 488 0.210 -4.176 -7.084 88 HA ALA 488 HA ALA 488 3.094 -4.149 -7.329 89 HB1 ALA 488 HB1 ALA 488 1.223 -6.298 -6.357 90 HB2 ALA 488 HB2 ALA 488 2.098 -5.150 -5.345 91 HB3 ALA 488 HB3 ALA 488 2.983 -6.356 -6.278 92 HA PRO 489 HA PRO 489 3.407 -5.718 -11.374 93 HB2 PRO 489 HB2 PRO 489 5.114 -7.937 -10.360 94 HB3 PRO 489 HB1 PRO 489 5.433 -6.759 -11.641 95 HG2 PRO 489 HG2 PRO 489 6.592 -6.496 -9.268 96 HG3 PRO 489 HG1 PRO 489 5.980 -5.074 -10.133 97 HD2 PRO 489 HD2 PRO 489 4.799 -6.528 -7.802 98 HD3 PRO 489 HD1 PRO 489 4.839 -4.785 -8.142 99 H ASN 490 HN ASN 490 2.308 -7.951 -8.951 100 HA ASN 490 HA ASN 490 1.488 -9.903 -10.957 101 HB2 ASN 490 HB2 ASN 490 1.403 -9.912 -7.943 102 HB3 ASN 490 HB1 ASN 490 0.621 -11.156 -8.910 103 HD21 ASN 490 HD21 ASN 490 2.762 -11.450 -7.013 104 HD22 ASN 490 HD22 ASN 490 4.102 -12.124 -7.872 105 H GLY 491 HN GLY 491 0.247 -7.068 -9.882 106 HA2 GLY 491 HA2 GLY 491 -1.893 -6.290 -10.544 107 HA3 GLY 491 HA1 GLY 491 -2.484 -7.945 -10.495 108 H ARG 492 HN ARG 492 -0.585 -6.510 -7.943 109 HA ARG 492 HA ARG 492 -2.875 -6.855 -6.142 110 HB2 ARG 492 HB2 ARG 492 -1.078 -8.062 -5.247 111 HB3 ARG 492 HB1 ARG 492 0.105 -6.834 -5.675 112 HG2 ARG 492 HG2 ARG 492 -0.044 -6.465 -3.466 113 HG3 ARG 492 HG1 ARG 492 -1.285 -5.354 -4.046 114 HD2 ARG 492 HD2 ARG 492 -2.794 -7.550 -3.779 115 HD3 ARG 492 HD1 ARG 492 -1.590 -7.877 -2.531 116 HE ARG 492 HE ARG 492 -2.697 -5.224 -2.420 117 HH11 ARG 492 HH11 ARG 492 -3.057 -8.542 -1.374 118 HH12 ARG 492 HH12 ARG 492 -4.097 -8.151 -0.042 119 HH21 ARG 492 HH21 ARG 492 -4.099 -4.701 -0.702 120 HH22 ARG 492 HH22 ARG 492 -4.714 -5.960 0.324 121 HA PRO 493 HA PRO 493 -2.637 -2.396 -5.503 122 HB2 PRO 493 HB2 PRO 493 -5.244 -2.456 -4.346 123 HB3 PRO 493 HB1 PRO 493 -4.801 -1.882 -5.954 124 HG2 PRO 493 HG2 PRO 493 -6.357 -4.112 -5.452 125 HG3 PRO 493 HG1 PRO 493 -5.469 -3.821 -6.954 126 HD2 PRO 493 HD2 PRO 493 -4.717 -5.525 -4.600 127 HD3 PRO 493 HD1 PRO 493 -4.510 -5.847 -6.339 128 H PHE 494 HN PHE 494 -1.184 -2.299 -3.803 129 HA PHE 494 HA PHE 494 -2.148 -3.170 -1.173 130 HB2 PHE 494 HB2 PHE 494 0.182 -2.958 -0.388 131 HB3 PHE 494 HB1 PHE 494 0.007 -4.116 -1.690 132 HD1 PHE 494 HD1 PHE 494 0.706 -0.419 -1.450 133 HD2 PHE 494 HD2 PHE 494 1.772 -4.206 -3.075 134 HE1 PHE 494 HE1 PHE 494 2.616 0.637 -2.612 135 HE2 PHE 494 HE2 PHE 494 3.670 -3.183 -4.238 136 HZ PHE 494 HZ PHE 494 4.098 -0.762 -4.016 137 H PHE 495 HN PHE 495 -1.948 -1.814 0.644 138 HA PHE 495 HA PHE 495 -2.207 1.019 -0.104 139 HB2 PHE 495 HB2 PHE 495 -3.456 -0.322 2.302 140 HB3 PHE 495 HB1 PHE 495 -3.848 1.254 1.617 141 HD1 PHE 495 HD1 PHE 495 -4.619 1.213 -0.871 142 HD2 PHE 495 HD2 PHE 495 -4.797 -2.129 1.747 143 HE1 PHE 495 HE1 PHE 495 -6.290 0.191 -2.340 144 HE2 PHE 495 HE2 PHE 495 -6.484 -3.183 0.305 145 HZ PHE 495 HZ PHE 495 -7.244 -2.025 -1.747 146 H ILE 496 HN ILE 496 -0.582 2.219 0.583 147 HA ILE 496 HA ILE 496 1.060 1.242 2.799 148 HB ILE 496 HB ILE 496 1.681 3.299 0.669 149 HG12 ILE 496 HG12 ILE 496 2.704 0.486 1.161 150 HG13 ILE 496 HG11 ILE 496 1.712 1.022 -0.191 151 HG21 ILE 496 HG21 ILE 496 3.424 2.255 2.913 152 HG22 ILE 496 HG22 ILE 496 2.750 3.880 2.789 153 HG23 ILE 496 HG23 ILE 496 3.946 3.330 1.615 154 HD11 ILE 496 HD11 ILE 496 4.000 0.745 -0.888 155 HD12 ILE 496 HD12 ILE 496 4.549 1.843 0.378 156 HD13 ILE 496 HD13 ILE 496 3.560 2.452 -0.948 157 H ASP 497 HN ASP 497 0.822 2.156 4.712 158 HA ASP 497 HA ASP 497 -0.439 4.766 4.844 159 HB2 ASP 497 HB2 ASP 497 -0.309 4.470 7.285 160 HB3 ASP 497 HB1 ASP 497 -1.293 3.267 6.451 161 H HIS 498 HN HIS 498 0.640 6.432 4.753 162 HA HIS 498 HA HIS 498 3.515 6.246 4.711 163 HB2 HIS 498 HB2 HIS 498 1.587 8.346 3.798 164 HB3 HIS 498 HB1 HIS 498 3.314 8.684 3.915 165 HD1 HIS 498 HD1 HIS 498 4.908 7.184 2.410 166 HD2 HIS 498 HD2 HIS 498 0.833 6.878 1.551 167 HE1 HIS 498 HE1 HIS 498 4.763 6.065 0.164 168 HE2 HIS 498 HE2 HIS 498 2.306 6.091 -0.418 169 H ASN 499 HN ASN 499 1.172 7.378 6.959 170 HA ASN 499 HA ASN 499 3.015 9.187 8.246 171 HB2 ASN 499 HB2 ASN 499 1.291 9.374 10.028 172 HB3 ASN 499 HB1 ASN 499 0.663 9.718 8.431 173 HD21 ASN 499 HD21 ASN 499 -0.784 8.280 7.471 174 HD22 ASN 499 HD22 ASN 499 -1.632 7.089 8.398 175 H THR 500 HN THR 500 1.564 6.058 9.101 176 HA THR 500 HA THR 500 3.460 5.642 11.199 177 HB THR 500 HB THR 500 2.308 3.264 11.061 178 HG1 THR 500 HG1 THR 500 1.114 3.544 9.190 179 HG21 THR 500 HG21 THR 500 2.106 4.843 12.910 180 HG22 THR 500 HG22 THR 500 0.523 4.177 12.507 181 HG23 THR 500 HG23 THR 500 0.956 5.807 11.978 182 H LYS 501 HN LYS 501 3.486 5.202 7.866 183 HA LYS 501 HA LYS 501 5.237 4.793 6.498 184 HB2 LYS 501 HB2 LYS 501 7.353 4.940 7.284 185 HB3 LYS 501 HB1 LYS 501 6.526 5.429 8.755 186 HG2 LYS 501 HG2 LYS 501 6.700 3.126 9.593 187 HG3 LYS 501 HG1 LYS 501 7.569 2.673 8.125 188 HD2 LYS 501 HD2 LYS 501 9.212 4.528 8.741 189 HD3 LYS 501 HD1 LYS 501 8.444 4.509 10.331 190 HE2 LYS 501 HE2 LYS 501 9.769 2.183 8.950 191 HE3 LYS 501 HE1 LYS 501 10.421 3.091 10.315 192 HZ1 LYS 501 HZ1 LYS 501 8.469 2.353 11.619 193 HZ2 LYS 501 HZ2 LYS 501 9.457 1.072 11.119 194 HZ3 LYS 501 HZ3 LYS 501 7.994 1.376 10.319 195 H THR 502 HN THR 502 3.332 2.668 7.630 196 HA THR 502 HA THR 502 4.950 0.261 7.189 197 HB THR 502 HB THR 502 2.127 0.471 8.258 198 HG1 THR 502 HG1 THR 502 3.388 1.430 9.777 199 HG21 THR 502 HG21 THR 502 2.702 -1.739 7.354 200 HG22 THR 502 HG22 THR 502 2.534 -1.784 9.109 201 HG23 THR 502 HG23 THR 502 4.138 -1.780 8.377 202 H THR 503 HN THR 503 4.352 -1.310 5.669 203 HA THR 503 HA THR 503 2.508 -0.416 3.592 204 HB THR 503 HB THR 503 3.310 -2.534 2.415 205 HG1 THR 503 HG1 THR 503 4.943 -3.659 3.280 206 HG21 THR 503 HG21 THR 503 5.338 -0.406 3.101 207 HG22 THR 503 HG22 THR 503 4.140 -0.329 1.809 208 HG23 THR 503 HG23 THR 503 5.443 -1.517 1.735 209 H THR 504 HN THR 504 0.444 -0.909 3.864 210 HA THR 504 HA THR 504 -0.314 -3.182 5.508 211 HB THR 504 HB THR 504 -2.434 -1.630 4.153 212 HG1 THR 504 HG1 THR 504 -0.691 -0.409 6.072 213 HG21 THR 504 HG21 THR 504 -3.385 -1.631 6.423 214 HG22 THR 504 HG22 THR 504 -1.908 -2.380 7.031 215 HG23 THR 504 HG23 THR 504 -2.937 -3.254 5.897 216 H TRP 505 HN TRP 505 -0.322 -5.057 4.555 217 HA TRP 505 HA TRP 505 -0.832 -5.355 1.703 218 HB2 TRP 505 HB2 TRP 505 1.081 -6.458 2.866 219 HB3 TRP 505 HB1 TRP 505 -0.065 -7.377 3.824 220 HD1 TRP 505 HD1 TRP 505 -0.459 -9.715 2.998 221 HE1 TRP 505 HE1 TRP 505 -0.148 -10.989 0.793 222 HE3 TRP 505 HE3 TRP 505 0.926 -5.809 -0.025 223 HZ2 TRP 505 HZ2 TRP 505 0.560 -10.427 -1.877 224 HZ3 TRP 505 HZ3 TRP 505 1.389 -6.281 -2.413 225 HH2 TRP 505 HH2 TRP 505 1.211 -8.534 -3.303 226 H GLU 506 HN GLU 506 -2.537 -5.257 4.516 227 HA GLU 506 HA GLU 506 -4.759 -6.849 3.425 228 HB2 GLU 506 HB2 GLU 506 -4.007 -7.911 5.446 229 HB3 GLU 506 HB1 GLU 506 -3.901 -6.371 6.285 230 HG2 GLU 506 HG2 GLU 506 -6.332 -6.169 6.221 231 HG3 GLU 506 HG1 GLU 506 -6.436 -7.712 5.372 232 H ASP 507 HN ASP 507 -6.704 -6.005 3.302 233 HA ASP 507 HA ASP 507 -6.766 -3.211 3.015 234 HB2 ASP 507 HB2 ASP 507 -8.062 -4.894 1.644 235 HB3 ASP 507 HB1 ASP 507 -9.144 -5.074 3.019 236 HA PRO 508 HA PRO 508 -7.873 -2.254 7.231 237 HB2 PRO 508 HB2 PRO 508 -8.382 0.384 6.925 238 HB3 PRO 508 HB1 PRO 508 -6.746 -0.277 6.867 239 HG2 PRO 508 HG2 PRO 508 -8.578 0.420 4.594 240 HG3 PRO 508 HG1 PRO 508 -6.864 0.831 4.807 241 HD2 PRO 508 HD2 PRO 508 -7.646 -1.228 3.260 242 HD3 PRO 508 HD1 PRO 508 -6.153 -1.289 4.213 243 H ARG 509 HN ARG 509 -9.957 -2.432 4.672 244 HA ARG 509 HA ARG 509 -12.187 -2.317 4.342 245 HB2 ARG 509 HB2 ARG 509 -13.482 -3.667 5.960 246 HB3 ARG 509 HB1 ARG 509 -11.999 -4.435 5.421 247 HG2 ARG 509 HG2 ARG 509 -10.925 -3.798 7.541 248 HG3 ARG 509 HG1 ARG 509 -12.449 -3.083 8.076 249 HD2 ARG 509 HD2 ARG 509 -13.500 -5.342 7.677 250 HD3 ARG 509 HD1 ARG 509 -11.869 -5.974 7.473 251 HE ARG 509 HE ARG 509 -11.573 -4.919 9.834 252 HH11 ARG 509 HH11 ARG 509 -14.375 -6.611 8.589 253 HH12 ARG 509 HH12 ARG 509 -14.897 -7.161 10.151 254 HH21 ARG 509 HH21 ARG 509 -12.262 -5.641 11.909 255 HH22 ARG 509 HH22 ARG 509 -13.704 -6.620 12.031 256 H1 ARG 925 HT1 ARG 925 -2.967 -18.233 -2.601 257 H2 ARG 925 HT2 ARG 925 -1.593 -17.722 -3.457 258 H3 ARG 925 HT3 ARG 925 -2.907 -16.670 -3.258 259 HA ARG 925 HA ARG 925 -2.553 -16.573 -0.906 260 HB2 ARG 925 HB2 ARG 925 -1.635 -18.848 -0.656 261 HB3 ARG 925 HB1 ARG 925 -0.177 -18.354 -1.503 262 HG2 ARG 925 HG2 ARG 925 0.431 -16.879 0.280 263 HG3 ARG 925 HG1 ARG 925 -1.110 -17.157 1.095 264 HD2 ARG 925 HD2 ARG 925 1.020 -19.228 0.577 265 HD3 ARG 925 HD1 ARG 925 0.695 -18.451 2.126 266 HE ARG 925 HE ARG 925 -1.701 -19.531 1.467 267 HH11 ARG 925 HH11 ARG 925 1.545 -20.825 1.710 268 HH12 ARG 925 HH12 ARG 925 1.009 -22.436 2.102 269 HH21 ARG 925 HH21 ARG 925 -2.404 -21.632 2.012 270 HH22 ARG 925 HH22 ARG 925 -1.234 -22.887 2.263 271 H LEU 926 HN LEU 926 -1.916 -14.539 -0.664 272 HA LEU 926 HA LEU 926 0.183 -13.516 -2.451 273 HB2 LEU 926 HB2 LEU 926 -1.955 -12.077 -0.872 274 HB3 LEU 926 HB1 LEU 926 -0.733 -11.277 -1.841 275 HG LEU 926 HG LEU 926 -2.877 -13.128 -2.881 276 HD11 LEU 926 HD11 LEU 926 -3.791 -11.108 -3.914 277 HD12 LEU 926 HD12 LEU 926 -2.545 -10.142 -3.125 278 HD13 LEU 926 HD13 LEU 926 -3.758 -10.977 -2.155 279 HD21 LEU 926 HD21 LEU 926 -0.775 -11.544 -4.353 280 HD22 LEU 926 HD22 LEU 926 -2.095 -12.441 -5.102 281 HD23 LEU 926 HD23 LEU 926 -0.842 -13.300 -4.205 282 H ASP 927 HN ASP 927 2.127 -13.101 -1.641 283 HA ASP 927 HA ASP 927 2.442 -13.059 1.264 284 HB2 ASP 927 HB2 ASP 927 4.796 -13.560 0.853 285 HB3 ASP 927 HB1 ASP 927 3.766 -14.709 0.009 286 H LEU 928 HN LEU 928 3.276 -11.401 2.344 287 HA LEU 928 HA LEU 928 3.166 -8.805 1.142 288 HB2 LEU 928 HB2 LEU 928 2.339 -8.928 3.324 289 HB3 LEU 928 HB1 LEU 928 3.686 -9.887 3.886 290 HG LEU 928 HG LEU 928 5.134 -7.833 3.634 291 HD11 LEU 928 HD11 LEU 928 2.467 -6.467 3.306 292 HD12 LEU 928 HD12 LEU 928 3.728 -6.592 2.079 293 HD13 LEU 928 HD13 LEU 928 4.019 -5.666 3.551 294 HD21 LEU 928 HD21 LEU 928 4.292 -8.579 5.799 295 HD22 LEU 928 HD22 LEU 928 2.805 -7.664 5.546 296 HD23 LEU 928 HD23 LEU 928 4.344 -6.818 5.711 297 HA PRO 929 HA PRO 929 7.586 -8.717 0.382 298 HB2 PRO 929 HB2 PRO 929 7.526 -6.631 -1.339 299 HB3 PRO 929 HB1 PRO 929 7.048 -8.263 -1.805 300 HG2 PRO 929 HG2 PRO 929 5.395 -5.879 -1.393 301 HG3 PRO 929 HG1 PRO 929 5.018 -7.365 -2.274 302 HD2 PRO 929 HD2 PRO 929 4.226 -6.600 0.388 303 HD3 PRO 929 HD1 PRO 929 3.774 -8.052 -0.525 304 HA PRO 930 HA PRO 930 9.136 -5.471 3.067 305 HB2 PRO 930 HB2 PRO 930 11.257 -5.073 1.035 306 HB3 PRO 930 HB1 PRO 930 11.405 -5.467 2.749 307 HG2 PRO 930 HG2 PRO 930 11.883 -7.296 0.861 308 HG3 PRO 930 HG1 PRO 930 11.101 -7.731 2.393 309 HD2 PRO 930 HD2 PRO 930 9.896 -7.345 -0.315 310 HD3 PRO 930 HD1 PRO 930 9.495 -8.536 0.940 311 H TYR 931 HN TYR 931 9.658 -3.126 2.993 312 HA TYR 931 HA TYR 931 7.857 -1.803 1.172 313 HB2 TYR 931 HB2 TYR 931 8.203 -1.271 3.628 314 HB3 TYR 931 HB1 TYR 931 9.769 -0.612 3.197 315 HD1 TYR 931 HD2 TYR 931 8.007 0.445 0.492 316 HD2 TYR 931 HD1 TYR 931 8.072 1.044 4.704 317 HE1 TYR 931 HE2 TYR 931 6.978 2.649 0.191 318 HE2 TYR 931 HE1 TYR 931 7.045 3.251 4.417 319 HH TYR 931 HH TYR 931 5.637 4.240 1.494 320 H GLU 932 HN GLU 932 8.491 -1.315 -0.846 321 HA GLU 932 HA GLU 932 11.162 -0.142 -1.265 322 HB2 GLU 932 HB2 GLU 932 9.196 -1.443 -3.144 323 HB3 GLU 932 HB1 GLU 932 10.427 -0.350 -3.750 324 HG2 GLU 932 HG2 GLU 932 11.312 -2.488 -4.039 325 HG3 GLU 932 HG1 GLU 932 12.120 -1.850 -2.611 326 H THR 933 HN THR 933 11.277 2.012 -2.082 327 HA THR 933 HA THR 933 8.762 3.411 -1.722 328 HB THR 933 HB THR 933 11.325 4.785 -2.458 329 HG1 THR 933 HG1 THR 933 12.074 4.392 -0.516 330 HG21 THR 933 HG21 THR 933 8.829 5.576 -0.930 331 HG22 THR 933 HG22 THR 933 9.290 6.115 -2.546 332 HG23 THR 933 HG23 THR 933 10.245 6.609 -1.148 333 H PHE 934 HN PHE 934 7.485 3.684 -3.218 334 HA PHE 934 HA PHE 934 8.241 3.990 -6.012 335 HB2 PHE 934 HB2 PHE 934 5.897 3.727 -6.500 336 HB3 PHE 934 HB1 PHE 934 6.311 2.495 -5.306 337 HD1 PHE 934 HD1 PHE 934 5.714 2.881 -2.901 338 HD2 PHE 934 HD2 PHE 934 4.330 5.355 -6.062 339 HE1 PHE 934 HE1 PHE 934 4.007 3.829 -1.412 340 HE2 PHE 934 HE2 PHE 934 2.621 6.302 -4.585 341 HZ PHE 934 HZ PHE 934 2.489 5.536 -2.272 342 H GLU 935 HN GLU 935 6.466 5.840 -6.937 343 HA GLU 935 HA GLU 935 7.791 8.212 -6.500 344 HB2 GLU 935 HB2 GLU 935 5.739 9.304 -7.464 345 HB3 GLU 935 HB1 GLU 935 6.370 7.958 -8.405 346 HG2 GLU 935 HG2 GLU 935 4.264 7.297 -6.409 347 HG3 GLU 935 HG1 GLU 935 3.775 8.265 -7.811 348 H ASP 936 HN ASP 936 7.790 9.752 -5.026 349 HA ASP 936 HA ASP 936 6.500 9.339 -2.525 350 HB2 ASP 936 HB2 ASP 936 7.710 11.321 -1.802 351 HB3 ASP 936 HB1 ASP 936 8.777 10.286 -2.745 352 H LEU 937 HN LEU 937 5.022 10.650 -1.466 353 HA LEU 937 HA LEU 937 3.100 11.936 -3.207 354 HB2 LEU 937 HB2 LEU 937 3.068 11.283 -0.261 355 HB3 LEU 937 HB1 LEU 937 1.782 12.169 -1.061 356 HG LEU 937 HG LEU 937 2.628 9.333 -1.652 357 HD11 LEU 937 HD11 LEU 937 0.412 8.772 -0.766 358 HD12 LEU 937 HD12 LEU 937 0.151 10.469 -0.364 359 HD13 LEU 937 HD13 LEU 937 1.426 9.558 0.446 360 HD21 LEU 937 HD21 LEU 937 1.890 10.483 -3.676 361 HD22 LEU 937 HD22 LEU 937 0.415 10.994 -2.855 362 HD23 LEU 937 HD23 LEU 937 0.706 9.282 -3.162 363 HN1 NH2 938 H1 LEU 937 4.431 12.890 -0.057 364 HN2 NH2 938 H2 LEU 937 4.597 14.566 -0.438 Start of MODEL 19 1 H PHE 478 HT1 PHE 478 -9.446 11.358 -1.662 2 HA PHE 478 HA PHE 478 -11.776 9.536 -1.821 3 HB2 PHE 478 HB2 PHE 478 -9.150 9.489 -3.332 4 HB3 PHE 478 HB1 PHE 478 -10.519 8.411 -3.570 5 HD1 PHE 478 HD1 PHE 478 -12.621 9.304 -4.561 6 HD2 PHE 478 HD2 PHE 478 -9.039 11.592 -4.383 7 HE1 PHE 478 HE1 PHE 478 -13.504 10.818 -6.288 8 HE2 PHE 478 HE2 PHE 478 -9.918 13.110 -6.107 9 HZ PHE 478 HZ PHE 478 -12.153 12.726 -7.061 10 H LEU 479 HN LEU 479 -8.244 9.555 -1.514 11 HA LEU 479 HA LEU 479 -8.434 7.307 0.385 12 HB2 LEU 479 HB2 LEU 479 -7.250 7.112 -1.908 13 HB3 LEU 479 HB1 LEU 479 -6.009 8.123 -1.203 14 HG LEU 479 HG LEU 479 -5.629 6.387 0.543 15 HD11 LEU 479 HD11 LEU 479 -7.438 4.686 -1.174 16 HD12 LEU 479 HD12 LEU 479 -7.899 5.363 0.389 17 HD13 LEU 479 HD13 LEU 479 -6.582 4.191 0.289 18 HD21 LEU 479 HD21 LEU 479 -4.501 4.821 -0.967 19 HD22 LEU 479 HD22 LEU 479 -4.255 6.495 -1.467 20 HD23 LEU 479 HD23 LEU 479 -5.410 5.478 -2.329 21 HA PRO 480 HA PRO 480 -7.015 10.020 3.667 22 HB2 PRO 480 HB2 PRO 480 -5.378 7.619 4.371 23 HB3 PRO 480 HB1 PRO 480 -6.409 8.619 5.402 24 HG2 PRO 480 HG2 PRO 480 -7.249 6.243 4.578 25 HG3 PRO 480 HG1 PRO 480 -8.366 7.621 4.636 26 HD2 PRO 480 HD2 PRO 480 -7.047 6.341 2.285 27 HD3 PRO 480 HD1 PRO 480 -8.660 7.072 2.418 28 HA PRO 481 HA PRO 481 -3.449 11.870 2.010 29 HB2 PRO 481 HB2 PRO 481 -2.680 12.641 4.762 30 HB3 PRO 481 HB1 PRO 481 -3.007 13.656 3.354 31 HG2 PRO 481 HG2 PRO 481 -4.758 13.486 5.358 32 HG3 PRO 481 HG1 PRO 481 -5.299 13.589 3.671 33 HD2 PRO 481 HD2 PRO 481 -5.152 11.208 5.478 34 HD3 PRO 481 HD1 PRO 481 -6.400 11.648 4.295 35 H GLY 482 HN GLY 482 -2.995 9.539 4.557 36 HA2 GLY 482 HA2 GLY 482 -0.179 9.295 3.711 37 HA3 GLY 482 HA1 GLY 482 -0.750 8.833 5.297 38 H TRP 483 HN TRP 483 -3.141 7.879 3.341 39 HA TRP 483 HA TRP 483 -2.037 5.177 3.177 40 HB2 TRP 483 HB2 TRP 483 -4.846 6.252 3.100 41 HB3 TRP 483 HB1 TRP 483 -4.474 4.616 2.557 42 HD1 TRP 483 HD1 TRP 483 -4.369 6.794 5.710 43 HE1 TRP 483 HE1 TRP 483 -4.396 5.245 7.772 44 HE3 TRP 483 HE3 TRP 483 -4.000 2.280 3.330 45 HZ2 TRP 483 HZ2 TRP 483 -4.276 2.473 8.308 46 HZ3 TRP 483 HZ3 TRP 483 -3.962 0.236 4.686 47 HH2 TRP 483 HH2 TRP 483 -4.095 0.326 7.124 48 H GLU 484 HN GLU 484 -1.753 4.150 1.307 49 HA GLU 484 HA GLU 484 -2.459 5.558 -1.137 50 HB2 GLU 484 HB2 GLU 484 -0.235 5.101 -2.050 51 HB3 GLU 484 HB1 GLU 484 -0.266 6.250 -0.786 52 HG2 GLU 484 HG2 GLU 484 0.562 4.617 0.762 53 HG3 GLU 484 HG1 GLU 484 0.461 3.372 -0.479 54 H MET 485 HN MET 485 -2.371 4.445 -2.906 55 HA MET 485 HA MET 485 -2.464 1.522 -2.588 56 HB2 MET 485 HB2 MET 485 -4.419 1.275 -3.944 57 HB3 MET 485 HB1 MET 485 -4.791 2.424 -2.665 58 HG2 MET 485 HG2 MET 485 -4.001 4.111 -4.461 59 HG3 MET 485 HG1 MET 485 -4.484 2.843 -5.568 60 HE1 MET 485 HE1 MET 485 -6.263 4.487 -6.690 61 HE2 MET 485 HE2 MET 485 -5.792 5.770 -5.575 62 HE3 MET 485 HE3 MET 485 -7.496 5.360 -5.779 63 H ARG 486 HN ARG 486 -1.461 0.474 -3.964 64 HA ARG 486 HA ARG 486 -0.518 1.479 -6.512 65 HB2 ARG 486 HB2 ARG 486 1.215 2.389 -5.179 66 HB3 ARG 486 HB1 ARG 486 1.254 0.987 -4.123 67 HG2 ARG 486 HG2 ARG 486 3.051 0.373 -5.285 68 HG3 ARG 486 HG1 ARG 486 1.916 -0.093 -6.550 69 HD2 ARG 486 HD2 ARG 486 3.102 2.662 -6.343 70 HD3 ARG 486 HD1 ARG 486 3.856 1.361 -7.259 71 HE ARG 486 HE ARG 486 1.290 1.483 -8.211 72 HH11 ARG 486 HH11 ARG 486 3.905 3.765 -7.860 73 HH12 ARG 486 HH12 ARG 486 3.503 4.665 -9.289 74 HH21 ARG 486 HH21 ARG 486 0.751 2.628 -10.106 75 HH22 ARG 486 HH22 ARG 486 1.685 4.015 -10.564 76 H ILE 487 HN ILE 487 -0.136 -0.184 -7.928 77 HA ILE 487 HA ILE 487 -0.541 -2.888 -6.844 78 HB ILE 487 HB ILE 487 -1.081 -3.589 -9.128 79 HG12 ILE 487 HG12 ILE 487 -0.784 -0.663 -9.851 80 HG13 ILE 487 HG11 ILE 487 0.335 -1.939 -10.319 81 HG21 ILE 487 HG21 ILE 487 -2.638 -1.177 -8.201 82 HG22 ILE 487 HG22 ILE 487 -2.874 -2.842 -7.670 83 HG23 ILE 487 HG23 ILE 487 -3.216 -2.392 -9.339 84 HD11 ILE 487 HD11 ILE 487 -1.443 -3.017 -11.605 85 HD12 ILE 487 HD12 ILE 487 -1.151 -1.364 -12.146 86 HD13 ILE 487 HD13 ILE 487 -2.554 -1.727 -11.140 87 H ALA 488 HN ALA 488 0.827 -4.596 -7.376 88 HA ALA 488 HA ALA 488 3.480 -3.862 -8.257 89 HB1 ALA 488 HB1 ALA 488 4.102 -6.152 -7.696 90 HB2 ALA 488 HB2 ALA 488 2.411 -6.527 -7.363 91 HB3 ALA 488 HB3 ALA 488 3.273 -5.367 -6.353 92 HA PRO 489 HA PRO 489 2.970 -4.673 -12.506 93 HB2 PRO 489 HB2 PRO 489 5.363 -6.434 -12.459 94 HB3 PRO 489 HB1 PRO 489 5.038 -4.994 -13.429 95 HG2 PRO 489 HG2 PRO 489 6.718 -4.876 -11.375 96 HG3 PRO 489 HG1 PRO 489 5.594 -3.543 -11.700 97 HD2 PRO 489 HD2 PRO 489 5.430 -5.700 -9.631 98 HD3 PRO 489 HD1 PRO 489 5.028 -3.975 -9.496 99 H ASN 490 HN ASN 490 2.558 -7.201 -10.393 100 HA ASN 490 HA ASN 490 1.814 -9.042 -12.566 101 HB2 ASN 490 HB2 ASN 490 2.115 -10.878 -10.955 102 HB3 ASN 490 HB1 ASN 490 3.595 -9.953 -11.167 103 HD21 ASN 490 HD21 ASN 490 2.916 -11.668 -8.992 104 HD22 ASN 490 HD22 ASN 490 2.913 -10.690 -7.561 105 H GLY 491 HN GLY 491 0.354 -6.796 -10.958 106 HA2 GLY 491 HA2 GLY 491 -1.989 -6.543 -10.856 107 HA3 GLY 491 HA1 GLY 491 -2.156 -8.293 -10.882 108 H ARG 492 HN ARG 492 -0.182 -6.319 -8.728 109 HA ARG 492 HA ARG 492 -1.484 -7.717 -6.482 110 HB2 ARG 492 HB2 ARG 492 0.882 -8.329 -7.177 111 HB3 ARG 492 HB1 ARG 492 1.351 -6.721 -6.642 112 HG2 ARG 492 HG2 ARG 492 1.207 -7.185 -4.521 113 HG3 ARG 492 HG1 ARG 492 -0.093 -8.381 -4.708 114 HD2 ARG 492 HD2 ARG 492 2.801 -8.764 -5.475 115 HD3 ARG 492 HD1 ARG 492 2.038 -9.408 -4.021 116 HE ARG 492 HE ARG 492 0.848 -10.147 -6.580 117 HH11 ARG 492 HH11 ARG 492 2.973 -10.998 -3.935 118 HH12 ARG 492 HH12 ARG 492 2.850 -12.710 -4.195 119 HH21 ARG 492 HH21 ARG 492 0.703 -12.422 -6.961 120 HH22 ARG 492 HH22 ARG 492 1.589 -13.513 -5.938 121 HA PRO 493 HA PRO 493 -2.089 -3.280 -5.537 122 HB2 PRO 493 HB2 PRO 493 -4.676 -3.692 -4.561 123 HB3 PRO 493 HB1 PRO 493 -4.244 -3.243 -6.211 124 HG2 PRO 493 HG2 PRO 493 -5.399 -5.682 -5.349 125 HG3 PRO 493 HG1 PRO 493 -4.799 -5.297 -6.967 126 HD2 PRO 493 HD2 PRO 493 -3.497 -6.824 -4.779 127 HD3 PRO 493 HD1 PRO 493 -3.305 -6.978 -6.538 128 H PHE 494 HN PHE 494 -1.344 -2.360 -3.720 129 HA PHE 494 HA PHE 494 -2.152 -3.487 -1.128 130 HB2 PHE 494 HB2 PHE 494 0.128 -3.013 -0.248 131 HB3 PHE 494 HB1 PHE 494 0.079 -4.289 -1.451 132 HD1 PHE 494 HD2 PHE 494 0.763 -0.629 -1.137 133 HD2 PHE 494 HD1 PHE 494 1.598 -4.271 -3.161 134 HE1 PHE 494 HE2 PHE 494 2.577 0.484 -2.374 135 HE2 PHE 494 HE1 PHE 494 3.419 -3.179 -4.391 136 HZ PHE 494 HZ PHE 494 3.912 -0.796 -4.003 137 H PHE 495 HN PHE 495 -2.325 -2.057 0.606 138 HA PHE 495 HA PHE 495 -2.251 0.799 -0.093 139 HB2 PHE 495 HB2 PHE 495 -3.663 -0.532 2.234 140 HB3 PHE 495 HB1 PHE 495 -3.668 1.185 1.878 141 HD1 PHE 495 HD2 PHE 495 -4.225 1.428 -0.881 142 HD2 PHE 495 HD1 PHE 495 -5.745 -1.423 1.888 143 HE1 PHE 495 HE2 PHE 495 -6.231 1.171 -2.271 144 HE2 PHE 495 HE1 PHE 495 -7.774 -1.693 0.518 145 HZ PHE 495 HZ PHE 495 -8.015 -0.393 -1.572 146 H ILE 496 HN ILE 496 -0.452 1.807 0.551 147 HA ILE 496 HA ILE 496 0.897 0.891 2.985 148 HB ILE 496 HB ILE 496 1.903 2.942 1.025 149 HG12 ILE 496 HG12 ILE 496 2.424 -0.033 1.183 150 HG13 ILE 496 HG11 ILE 496 1.790 0.879 -0.184 151 HG21 ILE 496 HG21 ILE 496 2.854 3.142 3.253 152 HG22 ILE 496 HG22 ILE 496 4.069 2.547 2.121 153 HG23 ILE 496 HG23 ILE 496 3.285 1.432 3.241 154 HD11 ILE 496 HD11 ILE 496 4.582 1.071 0.912 155 HD12 ILE 496 HD12 ILE 496 3.941 1.983 -0.456 156 HD13 ILE 496 HD13 ILE 496 4.089 0.228 -0.557 157 H ASP 497 HN ASP 497 0.429 1.866 4.834 158 HA ASP 497 HA ASP 497 -0.445 4.640 4.711 159 HB2 ASP 497 HB2 ASP 497 -1.038 4.509 6.976 160 HB3 ASP 497 HB1 ASP 497 -1.489 2.936 6.322 161 H HIS 498 HN HIS 498 0.869 6.232 4.908 162 HA HIS 498 HA HIS 498 3.673 5.665 4.952 163 HB2 HIS 498 HB2 HIS 498 2.022 8.124 4.491 164 HB3 HIS 498 HB1 HIS 498 3.764 8.248 4.693 165 HD1 HIS 498 HD1 HIS 498 5.211 7.691 2.729 166 HD2 HIS 498 HD2 HIS 498 1.217 6.608 2.069 167 HE1 HIS 498 HE1 HIS 498 5.017 7.132 0.277 168 HE2 HIS 498 HE2 HIS 498 2.651 6.456 -0.067 169 H ASN 499 HN ASN 499 1.466 6.325 7.414 170 HA ASN 499 HA ASN 499 3.283 7.919 8.982 171 HB2 ASN 499 HB2 ASN 499 1.580 7.666 10.809 172 HB3 ASN 499 HB1 ASN 499 0.989 8.421 9.336 173 HD21 ASN 499 HD21 ASN 499 -0.453 7.293 8.018 174 HD22 ASN 499 HD22 ASN 499 -1.337 5.924 8.599 175 H THR 500 HN THR 500 1.990 4.562 9.341 176 HA THR 500 HA THR 500 4.092 3.977 11.238 177 HB THR 500 HB THR 500 3.288 1.718 11.309 178 HG1 THR 500 HG1 THR 500 1.491 2.365 9.187 179 HG21 THR 500 HG21 THR 500 1.973 3.355 12.548 180 HG22 THR 500 HG22 THR 500 0.940 2.068 11.926 181 HG23 THR 500 HG23 THR 500 0.968 3.640 11.127 182 H LYS 501 HN LYS 501 3.649 3.866 7.844 183 HA LYS 501 HA LYS 501 5.068 3.455 6.112 184 HB2 LYS 501 HB2 LYS 501 7.057 2.797 8.285 185 HB3 LYS 501 HB1 LYS 501 7.434 2.731 6.573 186 HG2 LYS 501 HG2 LYS 501 7.004 5.109 6.365 187 HG3 LYS 501 HG1 LYS 501 6.559 5.188 8.073 188 HD2 LYS 501 HD2 LYS 501 8.784 4.529 8.728 189 HD3 LYS 501 HD1 LYS 501 9.244 4.289 7.043 190 HE2 LYS 501 HE2 LYS 501 8.953 6.650 6.603 191 HE3 LYS 501 HE1 LYS 501 8.417 6.916 8.266 192 HZ1 LYS 501 HZ1 LYS 501 10.638 6.029 8.967 193 HZ2 LYS 501 HZ2 LYS 501 10.691 7.522 8.164 194 HZ3 LYS 501 HZ3 LYS 501 11.115 6.105 7.338 195 H THR 502 HN THR 502 3.193 1.571 6.914 196 HA THR 502 HA THR 502 4.648 -0.932 6.372 197 HB THR 502 HB THR 502 2.909 -2.201 7.547 198 HG1 THR 502 HG1 THR 502 1.743 0.328 7.773 199 HG21 THR 502 HG21 THR 502 4.164 -0.035 9.231 200 HG22 THR 502 HG22 THR 502 4.919 -1.559 8.762 201 HG23 THR 502 HG23 THR 502 3.519 -1.562 9.834 202 H THR 503 HN THR 503 4.022 -2.160 4.737 203 HA THR 503 HA THR 503 1.997 -1.116 2.936 204 HB THR 503 HB THR 503 3.681 -3.574 2.477 205 HG1 THR 503 HG1 THR 503 5.299 -2.186 1.673 206 HG21 THR 503 HG21 THR 503 2.618 -1.464 0.600 207 HG22 THR 503 HG22 THR 503 1.906 -3.060 0.856 208 HG23 THR 503 HG23 THR 503 3.514 -2.913 0.144 209 H THR 504 HN THR 504 -0.000 -1.669 3.858 210 HA THR 504 HA THR 504 -0.420 -4.440 4.664 211 HB THR 504 HB THR 504 -1.323 -2.267 5.879 212 HG1 THR 504 HG1 THR 504 -2.900 -4.631 5.528 213 HG21 THR 504 HG21 THR 504 -3.545 -2.862 3.921 214 HG22 THR 504 HG22 THR 504 -2.578 -1.388 3.973 215 HG23 THR 504 HG23 THR 504 -3.659 -1.781 5.310 216 H TRP 505 HN TRP 505 -2.143 -5.734 3.737 217 HA TRP 505 HA TRP 505 -2.484 -5.048 0.894 218 HB2 TRP 505 HB2 TRP 505 -2.114 -7.718 2.241 219 HB3 TRP 505 HB1 TRP 505 -2.622 -7.550 0.562 220 HD1 TRP 505 HD1 TRP 505 0.441 -7.171 2.807 221 HE1 TRP 505 HE1 TRP 505 2.517 -6.844 1.314 222 HE3 TRP 505 HE3 TRP 505 -1.895 -6.638 -1.681 223 HZ2 TRP 505 HZ2 TRP 505 3.078 -6.420 -1.434 224 HZ3 TRP 505 HZ3 TRP 505 -0.539 -6.280 -3.692 225 HH2 TRP 505 HH2 TRP 505 1.889 -6.177 -3.594 226 H GLU 506 HN GLU 506 -4.131 -5.476 3.746 227 HA GLU 506 HA GLU 506 -6.644 -6.021 2.322 228 HB2 GLU 506 HB2 GLU 506 -7.550 -6.697 4.540 229 HB3 GLU 506 HB1 GLU 506 -6.235 -7.725 3.994 230 HG2 GLU 506 HG2 GLU 506 -5.718 -5.429 5.841 231 HG3 GLU 506 HG1 GLU 506 -6.307 -6.970 6.454 232 H ASP 507 HN ASP 507 -8.304 -4.716 2.477 233 HA ASP 507 HA ASP 507 -7.774 -2.030 2.824 234 HB2 ASP 507 HB2 ASP 507 -10.506 -3.298 2.976 235 HB3 ASP 507 HB1 ASP 507 -10.154 -1.639 2.538 236 HA PRO 508 HA PRO 508 -7.857 -1.714 7.239 237 HB2 PRO 508 HB2 PRO 508 -8.136 0.985 7.462 238 HB3 PRO 508 HB1 PRO 508 -6.616 0.196 7.028 239 HG2 PRO 508 HG2 PRO 508 -8.656 1.482 5.250 240 HG3 PRO 508 HG1 PRO 508 -6.887 1.601 5.192 241 HD2 PRO 508 HD2 PRO 508 -8.269 -0.018 3.535 242 HD3 PRO 508 HD1 PRO 508 -6.658 -0.449 4.147 243 H ARG 509 HN ARG 509 -10.497 -0.945 5.250 244 HA ARG 509 HA ARG 509 -12.323 -1.221 7.478 245 HB2 ARG 509 HB2 ARG 509 -11.687 1.309 6.965 246 HB3 ARG 509 HB1 ARG 509 -12.850 1.105 5.666 247 HG2 ARG 509 HG2 ARG 509 -13.439 0.615 8.578 248 HG3 ARG 509 HG1 ARG 509 -13.799 2.109 7.715 249 HD2 ARG 509 HD2 ARG 509 -15.206 0.783 6.147 250 HD3 ARG 509 HD1 ARG 509 -14.937 -0.627 7.171 251 HE ARG 509 HE ARG 509 -15.904 1.323 8.851 252 HH11 ARG 509 HH11 ARG 509 -17.022 -0.354 5.991 253 HH12 ARG 509 HH12 ARG 509 -18.711 -0.146 6.369 254 HH21 ARG 509 HH21 ARG 509 -18.116 1.614 9.351 255 HH22 ARG 509 HH22 ARG 509 -19.333 0.963 8.291 256 H1 ARG 925 HT1 ARG 925 -2.002 -17.065 1.338 257 H2 ARG 925 HT2 ARG 925 -2.464 -17.043 2.966 258 H3 ARG 925 HT3 ARG 925 -0.866 -17.421 2.546 259 HA ARG 925 HA ARG 925 -2.226 -14.811 2.231 260 HB2 ARG 925 HB2 ARG 925 -1.407 -15.449 4.522 261 HB3 ARG 925 HB1 ARG 925 0.214 -15.569 3.851 262 HG2 ARG 925 HG2 ARG 925 -0.079 -13.156 3.108 263 HG3 ARG 925 HG1 ARG 925 -1.493 -13.123 4.164 264 HD2 ARG 925 HD2 ARG 925 0.322 -12.276 5.427 265 HD3 ARG 925 HD1 ARG 925 0.010 -13.906 6.021 266 HE ARG 925 HE ARG 925 2.041 -13.710 3.966 267 HH11 ARG 925 HH11 ARG 925 1.332 -13.846 7.388 268 HH12 ARG 925 HH12 ARG 925 2.973 -14.184 7.852 269 HH21 ARG 925 HH21 ARG 925 4.196 -14.200 4.552 270 HH22 ARG 925 HH22 ARG 925 4.599 -14.409 6.235 271 H LEU 926 HN LEU 926 -1.377 -13.445 0.789 272 HA LEU 926 HA LEU 926 0.603 -14.255 -1.054 273 HB2 LEU 926 HB2 LEU 926 0.566 -11.783 -1.690 274 HB3 LEU 926 HB1 LEU 926 -0.926 -12.684 -1.859 275 HG LEU 926 HG LEU 926 -1.590 -11.715 0.412 276 HD11 LEU 926 HD11 LEU 926 0.613 -10.960 1.119 277 HD12 LEU 926 HD12 LEU 926 -0.524 -9.613 1.037 278 HD13 LEU 926 HD13 LEU 926 0.673 -9.838 -0.239 279 HD21 LEU 926 HD21 LEU 926 -2.347 -9.618 -0.599 280 HD22 LEU 926 HD22 LEU 926 -2.577 -10.988 -1.684 281 HD23 LEU 926 HD23 LEU 926 -1.237 -9.872 -1.946 282 H ASP 927 HN ASP 927 2.708 -13.283 -1.400 283 HA ASP 927 HA ASP 927 4.131 -13.057 1.110 284 HB2 ASP 927 HB2 ASP 927 4.982 -14.416 -0.816 285 HB3 ASP 927 HB1 ASP 927 5.244 -12.915 -1.698 286 H LEU 928 HN LEU 928 4.819 -11.247 2.024 287 HA LEU 928 HA LEU 928 4.177 -8.727 0.697 288 HB2 LEU 928 HB2 LEU 928 3.196 -9.048 2.882 289 HB3 LEU 928 HB1 LEU 928 4.763 -9.409 3.578 290 HG LEU 928 HG LEU 928 4.477 -6.743 2.307 291 HD11 LEU 928 HD11 LEU 928 3.176 -7.427 4.941 292 HD12 LEU 928 HD12 LEU 928 2.337 -6.977 3.456 293 HD13 LEU 928 HD13 LEU 928 3.374 -5.808 4.268 294 HD21 LEU 928 HD21 LEU 928 5.685 -7.707 4.901 295 HD22 LEU 928 HD22 LEU 928 5.809 -6.074 4.248 296 HD23 LEU 928 HD23 LEU 928 6.557 -7.423 3.394 297 HA PRO 929 HA PRO 929 8.577 -7.920 0.380 298 HB2 PRO 929 HB2 PRO 929 8.371 -5.872 -1.347 299 HB3 PRO 929 HB1 PRO 929 8.134 -7.545 -1.860 300 HG2 PRO 929 HG2 PRO 929 6.133 -5.401 -1.417 301 HG3 PRO 929 HG1 PRO 929 6.088 -6.772 -2.537 302 HD2 PRO 929 HD2 PRO 929 4.805 -6.581 -0.020 303 HD3 PRO 929 HD1 PRO 929 4.939 -8.022 -1.044 304 HA PRO 930 HA PRO 930 8.942 -4.724 3.541 305 HB2 PRO 930 HB2 PRO 930 11.602 -4.396 2.236 306 HB3 PRO 930 HB1 PRO 930 11.209 -4.626 3.943 307 HG2 PRO 930 HG2 PRO 930 12.230 -6.621 2.514 308 HG3 PRO 930 HG1 PRO 930 10.958 -6.921 3.713 309 HD2 PRO 930 HD2 PRO 930 10.768 -6.802 0.732 310 HD3 PRO 930 HD1 PRO 930 9.922 -7.865 1.878 311 H TYR 931 HN TYR 931 8.456 -2.571 3.468 312 HA TYR 931 HA TYR 931 7.544 -1.481 1.077 313 HB2 TYR 931 HB2 TYR 931 6.605 -0.732 3.113 314 HB3 TYR 931 HB1 TYR 931 8.170 -0.357 3.801 315 HD1 TYR 931 HD2 TYR 931 6.980 0.839 0.464 316 HD2 TYR 931 HD1 TYR 931 7.701 1.823 4.546 317 HE1 TYR 931 HE2 TYR 931 6.629 3.216 -0.041 318 HE2 TYR 931 HE1 TYR 931 7.337 4.185 4.051 319 HH TYR 931 HH TYR 931 7.450 5.706 2.159 320 H GLU 932 HN GLU 932 8.670 -0.876 -0.612 321 HA GLU 932 HA GLU 932 11.097 0.745 -0.231 322 HB2 GLU 932 HB2 GLU 932 11.661 0.264 -2.546 323 HB3 GLU 932 HB1 GLU 932 11.414 -1.241 -1.678 324 HG2 GLU 932 HG2 GLU 932 9.205 -0.021 -3.277 325 HG3 GLU 932 HG1 GLU 932 10.468 -0.973 -4.054 326 H THR 933 HN THR 933 11.186 2.812 -1.356 327 HA THR 933 HA THR 933 8.494 3.865 -1.574 328 HB THR 933 HB THR 933 10.944 5.530 -2.047 329 HG1 THR 933 HG1 THR 933 10.165 4.224 0.261 330 HG21 THR 933 HG21 THR 933 8.755 6.529 -2.488 331 HG22 THR 933 HG22 THR 933 9.473 7.260 -1.050 332 HG23 THR 933 HG23 THR 933 8.194 6.053 -0.884 333 H PHE 934 HN PHE 934 7.449 3.838 -3.289 334 HA PHE 934 HA PHE 934 8.640 4.023 -5.936 335 HB2 PHE 934 HB2 PHE 934 6.471 3.408 -6.781 336 HB3 PHE 934 HB1 PHE 934 6.778 2.362 -5.395 337 HD1 PHE 934 HD2 PHE 934 5.562 2.689 -3.284 338 HD2 PHE 934 HD1 PHE 934 4.822 5.066 -6.733 339 HE1 PHE 934 HE2 PHE 934 3.550 3.594 -2.242 340 HE2 PHE 934 HE1 PHE 934 2.801 5.977 -5.683 341 HZ PHE 934 HZ PHE 934 2.210 5.260 -3.427 342 H GLU 935 HN GLU 935 6.892 5.570 -7.333 343 HA GLU 935 HA GLU 935 7.871 8.101 -6.973 344 HB2 GLU 935 HB2 GLU 935 6.360 8.792 -8.628 345 HB3 GLU 935 HB1 GLU 935 6.543 7.073 -8.933 346 HG2 GLU 935 HG2 GLU 935 4.405 6.862 -7.418 347 HG3 GLU 935 HG1 GLU 935 4.210 8.566 -7.827 348 H ASP 936 HN ASP 936 7.071 10.046 -6.165 349 HA ASP 936 HA ASP 936 6.264 9.853 -3.510 350 HB2 ASP 936 HB2 ASP 936 7.635 11.684 -4.334 351 HB3 ASP 936 HB1 ASP 936 6.295 12.280 -5.310 352 H LEU 937 HN LEU 937 4.389 9.547 -2.617 353 HA LEU 937 HA LEU 937 1.884 9.988 -3.932 354 HB2 LEU 937 HB2 LEU 937 1.974 8.199 -2.361 355 HB3 LEU 937 HB1 LEU 937 2.658 9.228 -1.120 356 HG LEU 937 HG LEU 937 0.529 10.418 -0.918 357 HD11 LEU 937 HD11 LEU 937 -0.486 8.418 -2.934 358 HD12 LEU 937 HD12 LEU 937 -0.289 10.151 -3.198 359 HD13 LEU 937 HD13 LEU 937 -1.477 9.565 -2.033 360 HD21 LEU 937 HD21 LEU 937 0.267 7.435 -0.683 361 HD22 LEU 937 HD22 LEU 937 -0.760 8.627 0.113 362 HD23 LEU 937 HD23 LEU 937 0.952 8.525 0.524 363 HN1 NH2 938 H1 LEU 937 2.764 11.211 -0.745 364 HN2 NH2 938 H2 LEU 937 2.246 12.836 -1.011 Start of MODEL 20 1 H PHE 478 HT1 PHE 478 -12.927 9.441 -1.357 2 HA PHE 478 HA PHE 478 -12.140 7.266 -0.828 3 HB2 PHE 478 HB2 PHE 478 -9.854 8.982 -1.832 4 HB3 PHE 478 HB1 PHE 478 -10.037 7.252 -2.082 5 HD1 PHE 478 HD2 PHE 478 -11.899 6.421 -3.524 6 HD2 PHE 478 HD1 PHE 478 -10.897 10.544 -3.239 7 HE1 PHE 478 HE2 PHE 478 -13.127 6.859 -5.610 8 HE2 PHE 478 HE1 PHE 478 -12.125 10.992 -5.322 9 HZ PHE 478 HZ PHE 478 -13.242 9.148 -6.510 10 H LEU 479 HN LEU 479 -9.686 6.328 -0.368 11 HA LEU 479 HA LEU 479 -9.338 6.446 2.406 12 HB2 LEU 479 HB2 LEU 479 -7.404 5.093 2.113 13 HB3 LEU 479 HB1 LEU 479 -8.572 4.586 0.915 14 HG LEU 479 HG LEU 479 -6.150 6.316 0.372 15 HD11 LEU 479 HD11 LEU 479 -6.706 3.419 -0.252 16 HD12 LEU 479 HD12 LEU 479 -5.525 4.032 0.899 17 HD13 LEU 479 HD13 LEU 479 -5.315 4.336 -0.828 18 HD21 LEU 479 HD21 LEU 479 -6.685 5.954 -1.983 19 HD22 LEU 479 HD22 LEU 479 -7.997 6.797 -1.160 20 HD23 LEU 479 HD23 LEU 479 -8.147 5.078 -1.524 21 HA PRO 480 HA PRO 480 -7.386 10.207 3.685 22 HB2 PRO 480 HB2 PRO 480 -5.535 8.042 4.632 23 HB3 PRO 480 HB1 PRO 480 -5.955 9.539 5.460 24 HG2 PRO 480 HG2 PRO 480 -7.225 7.310 6.079 25 HG3 PRO 480 HG1 PRO 480 -8.149 8.813 5.884 26 HD2 PRO 480 HD2 PRO 480 -8.064 6.429 4.144 27 HD3 PRO 480 HD1 PRO 480 -9.308 7.687 4.277 28 HA PRO 481 HA PRO 481 -4.378 11.018 0.521 29 HB2 PRO 481 HB2 PRO 481 -3.419 13.380 1.472 30 HB3 PRO 481 HB1 PRO 481 -4.986 13.212 0.674 31 HG2 PRO 481 HG2 PRO 481 -4.350 13.336 3.595 32 HG3 PRO 481 HG1 PRO 481 -5.660 14.128 2.701 33 HD2 PRO 481 HD2 PRO 481 -6.050 11.887 4.156 34 HD3 PRO 481 HD1 PRO 481 -6.960 12.225 2.671 35 H GLY 482 HN GLY 482 -3.533 10.156 3.657 36 HA2 GLY 482 HA2 GLY 482 -0.660 10.215 3.001 37 HA3 GLY 482 HA1 GLY 482 -1.316 9.858 4.581 38 H TRP 483 HN TRP 483 -3.286 8.348 2.547 39 HA TRP 483 HA TRP 483 -1.828 5.826 2.762 40 HB2 TRP 483 HB2 TRP 483 -4.751 6.492 2.483 41 HB3 TRP 483 HB1 TRP 483 -4.144 4.880 2.118 42 HD1 TRP 483 HD1 TRP 483 -3.918 7.366 5.101 43 HE1 TRP 483 HE1 TRP 483 -4.018 5.988 7.272 44 HE3 TRP 483 HE3 TRP 483 -4.173 2.698 3.062 45 HZ2 TRP 483 HZ2 TRP 483 -4.182 3.252 8.013 46 HZ3 TRP 483 HZ3 TRP 483 -4.277 0.753 4.562 47 HH2 TRP 483 HH2 TRP 483 -4.291 1.028 6.987 48 H GLU 484 HN GLU 484 -0.675 5.407 1.111 49 HA GLU 484 HA GLU 484 -1.423 6.447 -1.525 50 HB2 GLU 484 HB2 GLU 484 1.009 6.308 -0.016 51 HB3 GLU 484 HB1 GLU 484 1.195 5.429 -1.517 52 HG2 GLU 484 HG2 GLU 484 1.897 7.662 -1.875 53 HG3 GLU 484 HG1 GLU 484 0.382 7.401 -2.724 54 H MET 485 HN MET 485 -1.783 5.072 -3.190 55 HA MET 485 HA MET 485 -1.493 2.223 -2.543 56 HB2 MET 485 HB2 MET 485 -3.683 1.711 -3.236 57 HB3 MET 485 HB1 MET 485 -3.835 3.119 -2.205 58 HG2 MET 485 HG2 MET 485 -4.101 2.961 -5.180 59 HG3 MET 485 HG1 MET 485 -5.323 3.394 -4.005 60 HE1 MET 485 HE1 MET 485 -3.857 5.443 -2.105 61 HE2 MET 485 HE2 MET 485 -5.460 5.731 -2.783 62 HE3 MET 485 HE3 MET 485 -4.215 6.975 -2.905 63 H ARG 486 HN ARG 486 -0.313 1.183 -3.939 64 HA ARG 486 HA ARG 486 -0.488 1.889 -6.778 65 HB2 ARG 486 HB2 ARG 486 1.852 1.941 -7.100 66 HB3 ARG 486 HB1 ARG 486 1.558 2.940 -5.687 67 HG2 ARG 486 HG2 ARG 486 3.166 1.772 -4.701 68 HG3 ARG 486 HG1 ARG 486 2.012 0.439 -4.618 69 HD2 ARG 486 HD2 ARG 486 4.127 -0.288 -5.604 70 HD3 ARG 486 HD1 ARG 486 2.811 -0.394 -6.776 71 HE ARG 486 HE ARG 486 4.773 1.812 -6.720 72 HH11 ARG 486 HH11 ARG 486 2.906 -0.575 -8.483 73 HH12 ARG 486 HH12 ARG 486 3.314 0.085 -10.033 74 HH21 ARG 486 HH21 ARG 486 5.311 2.676 -8.750 75 HH22 ARG 486 HH22 ARG 486 4.637 1.957 -10.184 76 H ILE 487 HN ILE 487 0.108 0.122 -8.192 77 HA ILE 487 HA ILE 487 -0.826 -2.311 -6.899 78 HB ILE 487 HB ILE 487 -2.326 -1.977 -8.535 79 HG12 ILE 487 HG12 ILE 487 -0.866 -4.118 -9.053 80 HG13 ILE 487 HG11 ILE 487 -2.175 -3.623 -10.117 81 HG21 ILE 487 HG21 ILE 487 -1.419 0.074 -9.349 82 HG22 ILE 487 HG22 ILE 487 -1.907 -0.942 -10.706 83 HG23 ILE 487 HG23 ILE 487 -0.200 -0.791 -10.286 84 HD11 ILE 487 HD11 ILE 487 -0.560 -2.568 -11.614 85 HD12 ILE 487 HD12 ILE 487 -0.201 -4.279 -11.376 86 HD13 ILE 487 HD13 ILE 487 0.752 -3.053 -10.539 87 H ALA 488 HN ALA 488 0.081 -4.206 -6.977 88 HA ALA 488 HA ALA 488 2.889 -4.431 -7.604 89 HB1 ALA 488 HB1 ALA 488 2.719 -6.580 -6.431 90 HB2 ALA 488 HB2 ALA 488 0.975 -6.351 -6.291 91 HB3 ALA 488 HB3 ALA 488 2.079 -5.254 -5.460 92 HA PRO 489 HA PRO 489 2.487 -6.320 -11.557 93 HB2 PRO 489 HB2 PRO 489 4.287 -8.493 -10.609 94 HB3 PRO 489 HB1 PRO 489 4.436 -7.436 -12.018 95 HG2 PRO 489 HG2 PRO 489 5.941 -7.034 -9.869 96 HG3 PRO 489 HG1 PRO 489 5.260 -5.663 -10.764 97 HD2 PRO 489 HD2 PRO 489 4.385 -6.861 -8.167 98 HD3 PRO 489 HD1 PRO 489 4.436 -5.157 -8.662 99 H ASN 490 HN ASN 490 1.503 -8.071 -8.792 100 HA ASN 490 HA ASN 490 0.396 -10.253 -10.399 101 HB2 ASN 490 HB2 ASN 490 0.619 -9.839 -7.417 102 HB3 ASN 490 HB1 ASN 490 -0.355 -11.126 -8.116 103 HD21 ASN 490 HD21 ASN 490 0.886 -12.765 -7.243 104 HD22 ASN 490 HD22 ASN 490 2.499 -13.109 -7.790 105 H GLY 491 HN GLY 491 -0.485 -7.214 -9.717 106 HA2 GLY 491 HA2 GLY 491 -2.574 -6.278 -10.278 107 HA3 GLY 491 HA1 GLY 491 -3.322 -7.852 -10.036 108 H ARG 492 HN ARG 492 -1.180 -6.184 -7.794 109 HA ARG 492 HA ARG 492 -3.403 -6.134 -5.853 110 HB2 ARG 492 HB2 ARG 492 -1.990 -7.698 -4.922 111 HB3 ARG 492 HB1 ARG 492 -0.536 -6.956 -5.580 112 HG2 ARG 492 HG2 ARG 492 -0.210 -6.319 -3.482 113 HG3 ARG 492 HG1 ARG 492 -1.309 -5.018 -3.919 114 HD2 ARG 492 HD2 ARG 492 -2.323 -7.591 -2.748 115 HD3 ARG 492 HD1 ARG 492 -1.804 -6.243 -1.737 116 HE ARG 492 HE ARG 492 -3.531 -4.964 -3.198 117 HH11 ARG 492 HH11 ARG 492 -3.824 -8.219 -1.966 118 HH12 ARG 492 HH12 ARG 492 -5.561 -8.188 -1.914 119 HH21 ARG 492 HH21 ARG 492 -5.820 -4.899 -3.104 120 HH22 ARG 492 HH22 ARG 492 -6.697 -6.291 -2.554 121 HA PRO 493 HA PRO 493 -2.002 -1.865 -5.422 122 HB2 PRO 493 HB2 PRO 493 -4.594 -1.062 -4.593 123 HB3 PRO 493 HB1 PRO 493 -3.859 -0.801 -6.176 124 HG2 PRO 493 HG2 PRO 493 -6.057 -2.447 -5.641 125 HG3 PRO 493 HG1 PRO 493 -5.081 -2.465 -7.118 126 HD2 PRO 493 HD2 PRO 493 -4.977 -4.274 -4.757 127 HD3 PRO 493 HD1 PRO 493 -4.679 -4.637 -6.467 128 H PHE 494 HN PHE 494 -0.791 -2.056 -3.606 129 HA PHE 494 HA PHE 494 -2.086 -2.706 -1.081 130 HB2 PHE 494 HB2 PHE 494 0.222 -2.736 -0.138 131 HB3 PHE 494 HB1 PHE 494 -0.035 -3.896 -1.429 132 HD1 PHE 494 HD2 PHE 494 1.099 -0.332 -1.143 133 HD2 PHE 494 HD1 PHE 494 1.735 -4.192 -2.814 134 HE1 PHE 494 HE2 PHE 494 3.126 0.502 -2.267 135 HE2 PHE 494 HE1 PHE 494 3.768 -3.379 -3.928 136 HZ PHE 494 HZ PHE 494 4.469 -1.034 -3.655 137 H PHE 495 HN PHE 495 -1.825 -1.385 0.784 138 HA PHE 495 HA PHE 495 -1.924 1.437 -0.009 139 HB2 PHE 495 HB2 PHE 495 -3.305 0.197 2.369 140 HB3 PHE 495 HB1 PHE 495 -3.602 1.773 1.639 141 HD1 PHE 495 HD1 PHE 495 -4.588 1.883 -0.665 142 HD2 PHE 495 HD2 PHE 495 -4.405 -1.722 1.586 143 HE1 PHE 495 HE1 PHE 495 -6.287 0.884 -2.136 144 HE2 PHE 495 HE2 PHE 495 -6.104 -2.729 0.126 145 HZ PHE 495 HZ PHE 495 -7.050 -1.426 -1.738 146 H ILE 496 HN ILE 496 -0.238 2.493 0.553 147 HA ILE 496 HA ILE 496 1.330 1.792 2.912 148 HB ILE 496 HB ILE 496 1.966 3.777 0.715 149 HG12 ILE 496 HG12 ILE 496 2.787 0.884 1.077 150 HG13 ILE 496 HG11 ILE 496 1.877 1.576 -0.262 151 HG21 ILE 496 HG21 ILE 496 4.253 3.641 1.606 152 HG22 ILE 496 HG22 ILE 496 3.690 2.561 2.883 153 HG23 ILE 496 HG23 ILE 496 3.113 4.226 2.821 154 HD11 ILE 496 HD11 ILE 496 4.162 1.119 -0.907 155 HD12 ILE 496 HD12 ILE 496 4.757 2.140 0.403 156 HD13 ILE 496 HD13 ILE 496 3.848 2.852 -0.930 157 H ASP 497 HN ASP 497 0.486 2.774 4.718 158 HA ASP 497 HA ASP 497 -0.243 5.556 4.384 159 HB2 ASP 497 HB2 ASP 497 -1.722 5.087 5.852 160 HB3 ASP 497 HB1 ASP 497 -0.942 3.601 6.404 161 H HIS 498 HN HIS 498 0.779 7.068 4.808 162 HA HIS 498 HA HIS 498 3.611 6.660 5.188 163 HB2 HIS 498 HB2 HIS 498 2.004 8.992 4.200 164 HB3 HIS 498 HB1 HIS 498 3.746 9.094 4.476 165 HD1 HIS 498 HD1 HIS 498 5.285 7.601 2.982 166 HD2 HIS 498 HD2 HIS 498 1.251 7.493 1.921 167 HE1 HIS 498 HE1 HIS 498 5.196 6.440 0.761 168 HE2 HIS 498 HE2 HIS 498 2.791 6.632 0.038 169 H ASN 499 HN ASN 499 1.133 7.382 7.308 170 HA ASN 499 HA ASN 499 2.589 9.339 8.887 171 HB2 ASN 499 HB2 ASN 499 0.102 7.717 9.478 172 HB3 ASN 499 HB1 ASN 499 0.750 8.956 10.539 173 HD21 ASN 499 HD21 ASN 499 -0.917 8.264 7.584 174 HD22 ASN 499 HD22 ASN 499 -1.471 9.878 7.278 175 H THR 500 HN THR 500 1.491 6.010 9.238 176 HA THR 500 HA THR 500 3.224 5.530 11.467 177 HB THR 500 HB THR 500 1.953 3.224 10.115 178 HG1 THR 500 HG1 THR 500 0.234 4.631 9.892 179 HG21 THR 500 HG21 THR 500 1.409 2.706 12.440 180 HG22 THR 500 HG22 THR 500 2.037 4.283 12.928 181 HG23 THR 500 HG23 THR 500 3.126 3.069 12.255 182 H LYS 501 HN LYS 501 3.690 5.653 8.201 183 HA LYS 501 HA LYS 501 5.237 5.017 6.706 184 HB2 LYS 501 HB2 LYS 501 7.496 4.708 7.337 185 HB3 LYS 501 HB1 LYS 501 6.823 5.847 8.488 186 HG2 LYS 501 HG2 LYS 501 6.863 4.293 10.223 187 HG3 LYS 501 HG1 LYS 501 7.008 2.925 9.120 188 HD2 LYS 501 HD2 LYS 501 9.142 5.027 9.410 189 HD3 LYS 501 HD1 LYS 501 9.096 3.562 10.395 190 HE2 LYS 501 HE2 LYS 501 9.108 2.225 8.303 191 HE3 LYS 501 HE1 LYS 501 9.305 3.719 7.389 192 HZ1 LYS 501 HZ1 LYS 501 11.191 2.715 9.453 193 HZ2 LYS 501 HZ2 LYS 501 11.390 4.112 8.515 194 HZ3 LYS 501 HZ3 LYS 501 11.418 2.584 7.778 195 H THR 502 HN THR 502 3.256 3.133 7.570 196 HA THR 502 HA THR 502 4.664 0.626 6.957 197 HB THR 502 HB THR 502 3.834 0.560 9.239 198 HG1 THR 502 HG1 THR 502 2.331 -1.291 8.918 199 HG21 THR 502 HG21 THR 502 1.426 0.630 9.722 200 HG22 THR 502 HG22 THR 502 1.111 1.045 8.038 201 HG23 THR 502 HG23 THR 502 2.007 2.160 9.069 202 H THR 503 HN THR 503 3.592 -0.847 5.616 203 HA THR 503 HA THR 503 1.313 0.252 4.136 204 HB THR 503 HB THR 503 3.023 0.577 2.584 205 HG1 THR 503 HG1 THR 503 2.211 -0.569 0.974 206 HG21 THR 503 HG21 THR 503 4.733 -1.020 1.968 207 HG22 THR 503 HG22 THR 503 4.075 -2.202 3.107 208 HG23 THR 503 HG23 THR 503 4.796 -0.707 3.705 209 H THR 504 HN THR 504 -0.318 -1.118 3.691 210 HA THR 504 HA THR 504 -0.085 -3.721 5.009 211 HB THR 504 HB THR 504 -1.745 -2.316 6.035 212 HG1 THR 504 HG1 THR 504 -3.598 -3.885 4.830 213 HG21 THR 504 HG21 THR 504 -2.253 -0.842 4.149 214 HG22 THR 504 HG22 THR 504 -3.727 -1.516 4.844 215 HG23 THR 504 HG23 THR 504 -3.085 -2.166 3.332 216 H TRP 505 HN TRP 505 -0.664 -5.557 4.090 217 HA TRP 505 HA TRP 505 -0.685 -5.664 1.190 218 HB2 TRP 505 HB2 TRP 505 0.810 -7.031 2.692 219 HB3 TRP 505 HB1 TRP 505 -0.616 -7.881 3.247 220 HD1 TRP 505 HD1 TRP 505 -0.507 -10.202 2.321 221 HE1 TRP 505 HE1 TRP 505 0.058 -11.295 0.074 222 HE3 TRP 505 HE3 TRP 505 0.762 -6.014 -0.334 223 HZ2 TRP 505 HZ2 TRP 505 0.892 -10.501 -2.503 224 HZ3 TRP 505 HZ3 TRP 505 1.417 -6.279 -2.700 225 HH2 TRP 505 HH2 TRP 505 1.484 -8.472 -3.751 226 H GLU 506 HN GLU 506 -2.827 -5.860 3.809 227 HA GLU 506 HA GLU 506 -4.979 -6.955 2.121 228 HB2 GLU 506 HB2 GLU 506 -4.702 -6.994 5.137 229 HB3 GLU 506 HB1 GLU 506 -6.093 -7.590 4.245 230 HG2 GLU 506 HG2 GLU 506 -3.331 -8.703 3.867 231 HG3 GLU 506 HG1 GLU 506 -4.442 -9.309 5.093 232 H ASP 507 HN ASP 507 -7.006 -5.971 2.258 233 HA ASP 507 HA ASP 507 -6.722 -3.166 2.305 234 HB2 ASP 507 HB2 ASP 507 -8.269 -4.345 0.766 235 HB3 ASP 507 HB1 ASP 507 -9.271 -4.790 2.143 236 HA PRO 508 HA PRO 508 -7.251 -2.694 6.668 237 HB2 PRO 508 HB2 PRO 508 -7.535 -0.013 6.802 238 HB3 PRO 508 HB1 PRO 508 -5.993 -0.785 6.412 239 HG2 PRO 508 HG2 PRO 508 -8.062 0.332 4.537 240 HG3 PRO 508 HG1 PRO 508 -6.316 0.641 4.566 241 HD2 PRO 508 HD2 PRO 508 -7.343 -1.127 2.868 242 HD3 PRO 508 HD1 PRO 508 -5.805 -1.458 3.688 243 H ARG 509 HN ARG 509 -9.802 -2.306 4.519 244 HA ARG 509 HA ARG 509 -11.612 -1.233 6.555 245 HB2 ARG 509 HB2 ARG 509 -11.544 -0.497 4.058 246 HB3 ARG 509 HB1 ARG 509 -12.421 -1.991 3.760 247 HG2 ARG 509 HG2 ARG 509 -13.344 0.145 5.667 248 HG3 ARG 509 HG1 ARG 509 -13.842 0.045 3.980 249 HD2 ARG 509 HD2 ARG 509 -14.904 -2.064 4.347 250 HD3 ARG 509 HD1 ARG 509 -14.232 -2.177 5.974 251 HE ARG 509 HE ARG 509 -15.662 0.117 6.062 252 HH11 ARG 509 HH11 ARG 509 -16.434 -3.158 5.081 253 HH12 ARG 509 HH12 ARG 509 -18.099 -3.037 5.549 254 HH21 ARG 509 HH21 ARG 509 -17.858 0.277 6.665 255 HH22 ARG 509 HH22 ARG 509 -18.908 -1.092 6.439 256 H1 ARG 925 HT1 ARG 925 -1.021 -18.983 -3.498 257 H2 ARG 925 HT2 ARG 925 0.378 -18.253 -4.120 258 H3 ARG 925 HT3 ARG 925 -1.115 -17.454 -4.228 259 HA ARG 925 HA ARG 925 -1.235 -17.163 -1.894 260 HB2 ARG 925 HB2 ARG 925 -0.108 -19.344 -1.361 261 HB3 ARG 925 HB1 ARG 925 1.430 -18.603 -1.769 262 HG2 ARG 925 HG2 ARG 925 -0.297 -17.353 0.320 263 HG3 ARG 925 HG1 ARG 925 0.671 -18.775 0.716 264 HD2 ARG 925 HD2 ARG 925 2.693 -17.630 0.092 265 HD3 ARG 925 HD1 ARG 925 1.775 -16.250 -0.506 266 HE ARG 925 HE ARG 925 1.047 -16.492 2.128 267 HH11 ARG 925 HH11 ARG 925 4.108 -16.223 0.460 268 HH12 ARG 925 HH12 ARG 925 4.828 -15.191 1.666 269 HH21 ARG 925 HH21 ARG 925 1.999 -15.181 3.751 270 HH22 ARG 925 HH22 ARG 925 3.628 -14.608 3.549 271 H LEU 926 HN LEU 926 -0.901 -15.059 -1.681 272 HA LEU 926 HA LEU 926 1.316 -13.864 -3.143 273 HB2 LEU 926 HB2 LEU 926 0.050 -11.685 -2.310 274 HB3 LEU 926 HB1 LEU 926 -0.403 -12.550 -3.754 275 HG LEU 926 HG LEU 926 -2.311 -11.753 -2.376 276 HD11 LEU 926 HD11 LEU 926 -3.618 -13.814 -2.493 277 HD12 LEU 926 HD12 LEU 926 -2.133 -14.734 -2.735 278 HD13 LEU 926 HD13 LEU 926 -2.646 -13.553 -3.940 279 HD21 LEU 926 HD21 LEU 926 -1.407 -12.074 -0.155 280 HD22 LEU 926 HD22 LEU 926 -1.382 -13.822 -0.395 281 HD23 LEU 926 HD23 LEU 926 -2.919 -12.959 -0.342 282 H ASP 927 HN ASP 927 3.065 -13.064 -2.252 283 HA ASP 927 HA ASP 927 3.268 -13.161 0.671 284 HB2 ASP 927 HB2 ASP 927 4.915 -14.453 -0.629 285 HB3 ASP 927 HB1 ASP 927 5.437 -12.975 -1.430 286 H LEU 928 HN LEU 928 3.392 -11.374 1.851 287 HA LEU 928 HA LEU 928 3.468 -8.781 0.599 288 HB2 LEU 928 HB2 LEU 928 2.019 -9.185 2.512 289 HB3 LEU 928 HB1 LEU 928 3.385 -9.650 3.495 290 HG LEU 928 HG LEU 928 2.342 -7.345 3.894 291 HD11 LEU 928 HD11 LEU 928 5.298 -7.491 3.373 292 HD12 LEU 928 HD12 LEU 928 4.478 -7.981 4.856 293 HD13 LEU 928 HD13 LEU 928 4.478 -6.286 4.365 294 HD21 LEU 928 HD21 LEU 928 3.882 -6.708 1.388 295 HD22 LEU 928 HD22 LEU 928 3.153 -5.529 2.479 296 HD23 LEU 928 HD23 LEU 928 2.129 -6.649 1.581 297 HA PRO 929 HA PRO 929 7.930 -8.565 1.082 298 HB2 PRO 929 HB2 PRO 929 8.311 -6.535 -0.608 299 HB3 PRO 929 HB1 PRO 929 7.881 -8.144 -1.199 300 HG2 PRO 929 HG2 PRO 929 6.169 -5.718 -0.887 301 HG3 PRO 929 HG1 PRO 929 6.163 -6.940 -2.171 302 HD2 PRO 929 HD2 PRO 929 4.411 -6.852 -0.012 303 HD3 PRO 929 HD1 PRO 929 4.723 -8.273 -1.026 304 HA PRO 930 HA PRO 930 8.470 -5.356 4.205 305 HB2 PRO 930 HB2 PRO 930 11.141 -5.176 2.871 306 HB3 PRO 930 HB1 PRO 930 10.752 -5.323 4.591 307 HG2 PRO 930 HG2 PRO 930 11.649 -7.423 3.245 308 HG3 PRO 930 HG1 PRO 930 10.348 -7.607 4.435 309 HD2 PRO 930 HD2 PRO 930 10.199 -7.575 1.454 310 HD3 PRO 930 HD1 PRO 930 9.271 -8.540 2.619 311 H TYR 931 HN TYR 931 8.822 -3.029 4.245 312 HA TYR 931 HA TYR 931 7.395 -1.772 2.231 313 HB2 TYR 931 HB2 TYR 931 7.747 -0.929 4.557 314 HB3 TYR 931 HB1 TYR 931 9.391 -0.497 4.122 315 HD1 TYR 931 HD2 TYR 931 7.420 0.225 1.311 316 HD2 TYR 931 HD1 TYR 931 8.266 1.654 5.229 317 HE1 TYR 931 HE2 TYR 931 6.650 2.462 0.657 318 HE2 TYR 931 HE1 TYR 931 7.494 3.894 4.585 319 HH TYR 931 HH TYR 931 7.166 5.237 2.612 320 H GLU 932 HN GLU 932 7.902 -1.411 0.233 321 HA GLU 932 HA GLU 932 10.680 -0.845 -0.557 322 HB2 GLU 932 HB2 GLU 932 9.255 -2.789 -1.585 323 HB3 GLU 932 HB1 GLU 932 8.424 -1.502 -2.445 324 HG2 GLU 932 HG2 GLU 932 10.060 -2.307 -3.914 325 HG3 GLU 932 HG1 GLU 932 10.689 -0.781 -3.290 326 H THR 933 HN THR 933 11.081 1.298 -1.173 327 HA THR 933 HA THR 933 8.688 2.931 -1.368 328 HB THR 933 HB THR 933 11.472 4.036 -1.625 329 HG1 THR 933 HG1 THR 933 11.599 3.213 0.389 330 HG21 THR 933 HG21 THR 933 9.703 5.525 -2.314 331 HG22 THR 933 HG22 THR 933 10.262 6.055 -0.727 332 HG23 THR 933 HG23 THR 933 8.752 5.147 -0.877 333 H PHE 934 HN PHE 934 7.775 3.313 -3.046 334 HA PHE 934 HA PHE 934 8.982 2.998 -5.679 335 HB2 PHE 934 HB2 PHE 934 6.732 2.710 -6.502 336 HB3 PHE 934 HB1 PHE 934 6.896 1.697 -5.066 337 HD1 PHE 934 HD2 PHE 934 6.035 2.610 -2.851 338 HD2 PHE 934 HD1 PHE 934 5.102 4.311 -6.641 339 HE1 PHE 934 HE2 PHE 934 4.157 3.834 -1.854 340 HE2 PHE 934 HE1 PHE 934 3.230 5.533 -5.640 341 HZ PHE 934 HZ PHE 934 2.800 5.298 -3.255 342 H GLU 935 HN GLU 935 7.483 4.640 -7.217 343 HA GLU 935 HA GLU 935 8.833 7.032 -7.090 344 HB2 GLU 935 HB2 GLU 935 7.005 7.911 -8.561 345 HB3 GLU 935 HB1 GLU 935 7.669 6.367 -9.076 346 HG2 GLU 935 HG2 GLU 935 5.316 6.167 -7.294 347 HG3 GLU 935 HG1 GLU 935 5.022 6.915 -8.876 348 H ASP 936 HN ASP 936 8.213 9.176 -6.625 349 HA ASP 936 HA ASP 936 7.458 9.616 -4.017 350 HB2 ASP 936 HB2 ASP 936 7.469 11.970 -4.519 351 HB3 ASP 936 HB1 ASP 936 8.750 11.196 -5.443 352 H LEU 937 HN LEU 937 5.693 10.483 -2.997 353 HA LEU 937 HA LEU 937 3.214 9.445 -4.047 354 HB2 LEU 937 HB2 LEU 937 3.519 10.877 -1.413 355 HB3 LEU 937 HB1 LEU 937 2.329 9.684 -1.871 356 HG LEU 937 HG LEU 937 3.703 8.536 -0.404 357 HD11 LEU 937 HD11 LEU 937 4.958 6.900 -1.707 358 HD12 LEU 937 HD12 LEU 937 4.845 7.942 -3.125 359 HD13 LEU 937 HD13 LEU 937 3.384 7.242 -2.425 360 HD21 LEU 937 HD21 LEU 937 6.149 8.600 -0.425 361 HD22 LEU 937 HD22 LEU 937 5.453 10.201 -0.180 362 HD23 LEU 937 HD23 LEU 937 6.103 9.755 -1.757 363 HN1 NH2 938 H1 LEU 937 2.391 10.745 -5.574 364 HN2 NH2 938 H2 LEU 937 1.975 12.407 -5.341
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