NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567180 | 2me3 | 19514 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 657 HT1 GLU 657 13.867 -6.419 3.489 2 H2 GLU 657 HT2 GLU 657 13.238 -4.977 2.847 3 H3 GLU 657 HT3 GLU 657 12.590 -5.628 4.276 4 HA GLU 657 HA GLU 657 14.106 -3.687 4.640 5 HB2 GLU 657 HB2 GLU 657 14.094 -6.402 5.794 6 HB3 GLU 657 HB1 GLU 657 15.503 -5.441 6.241 7 HG2 GLU 657 HG2 GLU 657 12.725 -4.283 6.409 8 HG3 GLU 657 HG1 GLU 657 13.390 -5.246 7.730 9 H LYS 658 HN LYS 658 15.056 -4.287 2.084 10 HA LYS 658 HA LYS 658 17.959 -4.082 2.491 11 HB2 LYS 658 HB2 LYS 658 17.181 -6.567 2.489 12 HB3 LYS 658 HB1 LYS 658 16.935 -6.330 0.758 13 HG2 LYS 658 HG2 LYS 658 19.142 -7.087 0.813 14 HG3 LYS 658 HG1 LYS 658 19.368 -5.337 0.834 15 HD2 LYS 658 HD2 LYS 658 19.431 -5.452 3.351 16 HD3 LYS 658 HD1 LYS 658 19.427 -7.211 3.214 17 HE2 LYS 658 HE2 LYS 658 21.567 -7.271 2.243 18 HE3 LYS 658 HE1 LYS 658 21.474 -5.580 1.710 19 HZ1 LYS 658 HZ1 LYS 658 22.839 -5.782 3.702 20 HZ2 LYS 658 HZ2 LYS 658 21.546 -6.504 4.536 21 HZ3 LYS 658 HZ3 LYS 658 21.435 -4.887 4.026 22 H ASP 659 HN ASP 659 16.329 -2.150 1.431 23 HA ASP 659 HA ASP 659 15.814 -2.242 -1.373 24 HB2 ASP 659 HB2 ASP 659 15.383 -0.523 0.691 25 HB3 ASP 659 HB1 ASP 659 16.689 0.317 -0.146 26 H LEU 660 HN LEU 660 17.125 -0.372 -2.738 27 HA LEU 660 HA LEU 660 19.774 -1.483 -3.158 28 HB2 LEU 660 HB2 LEU 660 18.437 0.993 -4.287 29 HB3 LEU 660 HB1 LEU 660 19.816 0.152 -4.987 30 HG LEU 660 HG LEU 660 18.128 -0.773 -6.250 31 HD11 LEU 660 HD11 LEU 660 17.709 -2.571 -3.871 32 HD12 LEU 660 HD12 LEU 660 19.241 -2.552 -4.744 33 HD13 LEU 660 HD13 LEU 660 17.755 -3.002 -5.581 34 HD21 LEU 660 HD21 LEU 660 16.074 -1.223 -4.196 35 HD22 LEU 660 HD22 LEU 660 15.922 -0.524 -5.808 36 HD23 LEU 660 HD23 LEU 660 16.466 0.476 -4.462 37 H LEU 661 HN LEU 661 18.459 1.432 -1.719 38 HA LEU 661 HA LEU 661 21.109 2.620 -1.252 39 HB2 LEU 661 HB2 LEU 661 18.231 3.311 -0.765 40 HB3 LEU 661 HB1 LEU 661 19.514 4.271 -0.037 41 HG LEU 661 HG LEU 661 18.467 4.669 -2.537 42 HD11 LEU 661 HD11 LEU 661 21.317 5.352 -1.817 43 HD12 LEU 661 HD12 LEU 661 19.938 6.126 -1.038 44 HD13 LEU 661 HD13 LEU 661 20.184 6.305 -2.775 45 HD21 LEU 661 HD21 LEU 661 19.550 2.632 -3.435 46 HD22 LEU 661 HD22 LEU 661 21.120 3.253 -2.925 47 HD23 LEU 661 HD23 LEU 661 20.203 4.091 -4.173 48 H ALA 662 HN ALA 662 20.136 0.020 0.114 49 HA ALA 662 HA ALA 662 19.665 0.478 2.875 50 HB1 ALA 662 HB1 ALA 662 21.219 -1.807 1.629 51 HB2 ALA 662 HB2 ALA 662 19.468 -1.658 1.479 52 HB3 ALA 662 HB3 ALA 662 20.203 -1.858 3.070 53 H LEU 663 HN LEU 663 21.031 1.924 3.863 54 HA LEU 663 HA LEU 663 23.769 2.384 3.398 55 HB2 LEU 663 HB2 LEU 663 22.011 2.586 5.852 56 HB3 LEU 663 HB1 LEU 663 23.675 3.172 5.844 57 HG LEU 663 HG LEU 663 21.659 4.026 3.760 58 HD11 LEU 663 HD11 LEU 663 21.601 6.168 5.189 59 HD12 LEU 663 HD12 LEU 663 22.243 5.171 6.494 60 HD13 LEU 663 HD13 LEU 663 20.676 4.790 5.783 61 HD21 LEU 663 HD21 LEU 663 24.400 4.904 4.657 62 HD22 LEU 663 HD22 LEU 663 23.330 6.028 3.819 63 HD23 LEU 663 HD23 LEU 663 23.838 4.537 3.026 64 H ASP 664 HN ASP 664 22.222 -0.243 5.078 65 HA ASP 664 HA ASP 664 24.529 -1.164 6.576 66 HB2 ASP 664 HB2 ASP 664 21.871 -2.267 5.677 67 HB3 ASP 664 HB1 ASP 664 23.047 -3.331 6.449 68 H SER 665 HN SER 665 23.319 -1.592 3.305 69 HA SER 665 HA SER 665 25.311 -3.697 2.689 70 HB2 SER 665 HB2 SER 665 22.889 -3.700 1.931 71 HB3 SER 665 HB1 SER 665 23.280 -2.317 0.913 72 HG SER 665 HG SER 665 23.441 -4.552 -0.003 73 H TRP 666 HN TRP 666 24.766 -0.289 2.274 74 HA TRP 666 HA TRP 666 26.680 0.174 0.117 75 HB2 TRP 666 HB2 TRP 666 24.978 1.704 2.010 76 HB3 TRP 666 HB1 TRP 666 26.351 2.551 1.326 77 HD1 TRP 666 HD1 TRP 666 23.089 0.810 0.285 78 HE1 TRP 666 HE1 TRP 666 22.536 1.563 -2.128 79 HE3 TRP 666 HE3 TRP 666 27.295 3.390 -0.740 80 HZ2 TRP 666 HZ2 TRP 666 23.772 3.091 -4.236 81 HZ3 TRP 666 HZ3 TRP 666 27.628 4.500 -2.955 82 HH2 TRP 666 HH2 TRP 666 25.865 4.351 -4.698 83 H LYS 667 HN LYS 667 26.771 0.194 3.654 84 HA LYS 667 HA LYS 667 29.134 1.560 4.206 85 HB2 LYS 667 HB2 LYS 667 27.594 -0.681 5.363 86 HB3 LYS 667 HB1 LYS 667 29.282 -0.638 5.874 87 HG2 LYS 667 HG2 LYS 667 28.766 1.946 6.200 88 HG3 LYS 667 HG1 LYS 667 27.107 1.363 6.347 89 HD2 LYS 667 HD2 LYS 667 27.649 -0.027 8.203 90 HD3 LYS 667 HD1 LYS 667 29.381 0.137 7.915 91 HE2 LYS 667 HE2 LYS 667 28.646 2.766 8.218 92 HE3 LYS 667 HE1 LYS 667 27.549 1.952 9.351 93 HZ1 LYS 667 HZ1 LYS 667 29.425 0.741 10.262 94 HZ2 LYS 667 HZ2 LYS 667 29.701 2.413 10.383 95 HZ3 LYS 667 HZ3 LYS 667 30.483 1.505 9.179 96 H ASN 668 HN ASN 668 28.788 -1.591 2.683 97 HA ASN 668 HA ASN 668 31.564 -2.415 2.873 98 HB2 ASN 668 HB2 ASN 668 29.134 -3.105 1.229 99 HB3 ASN 668 HB1 ASN 668 30.703 -3.781 0.788 100 HD21 ASN 668 HD21 ASN 668 28.035 -4.705 2.384 101 HD22 ASN 668 HD22 ASN 668 28.711 -5.644 3.626 102 H LEU 669 HN LEU 669 29.696 -0.642 0.390 103 HA LEU 669 HA LEU 669 31.902 -0.379 -1.475 104 HB2 LEU 669 HB2 LEU 669 29.235 -0.051 -1.564 105 HB3 LEU 669 HB1 LEU 669 29.709 1.630 -1.314 106 HG LEU 669 HG LEU 669 31.336 0.189 -3.311 107 HD11 LEU 669 HD11 LEU 669 29.011 -0.733 -3.674 108 HD12 LEU 669 HD12 LEU 669 29.664 0.164 -5.045 109 HD13 LEU 669 HD13 LEU 669 28.475 0.918 -3.983 110 HD21 LEU 669 HD21 LEU 669 31.146 2.298 -4.479 111 HD22 LEU 669 HD22 LEU 669 31.406 2.656 -2.772 112 HD23 LEU 669 HD23 LEU 669 29.791 2.793 -3.465 113 H TRP 670 HN TRP 670 30.621 1.726 1.149 114 HA TRP 670 HA TRP 670 32.327 3.949 0.556 115 HB2 TRP 670 HB2 TRP 670 30.864 2.936 3.000 116 HB3 TRP 670 HB1 TRP 670 31.815 4.412 3.072 117 HD1 TRP 670 HD1 TRP 670 28.834 4.668 3.590 118 HE1 TRP 670 HE1 TRP 670 27.279 5.962 1.996 119 HE3 TRP 670 HE3 TRP 670 31.598 4.483 -0.715 120 HZ2 TRP 670 HZ2 TRP 670 27.211 6.808 -0.726 121 HZ3 TRP 670 HZ3 TRP 670 30.759 5.545 -2.784 122 HH2 TRP 670 HH2 TRP 670 28.570 6.704 -2.798 123 H ASN 671 HN ASN 671 32.837 0.992 2.412 124 HA ASN 671 HA ASN 671 35.357 1.908 3.571 125 HB2 ASN 671 HB2 ASN 671 33.655 -0.538 3.481 126 HB3 ASN 671 HB1 ASN 671 35.359 -0.767 3.876 127 HD21 ASN 671 HD21 ASN 671 32.375 0.862 4.946 128 HD22 ASN 671 HD22 ASN 671 32.915 1.175 6.525 129 H TRP 672 HN TRP 672 34.335 0.256 0.667 130 HA TRP 672 HA TRP 672 36.575 -1.158 -0.195 131 HB2 TRP 672 HB2 TRP 672 34.272 0.239 -1.326 132 HB3 TRP 672 HB1 TRP 672 35.628 0.195 -2.446 133 HD1 TRP 672 HD1 TRP 672 34.705 -2.569 0.081 134 HE1 TRP 672 HE1 TRP 672 34.206 -4.721 -1.252 135 HE3 TRP 672 HE3 TRP 672 35.037 -0.741 -4.650 136 HZ2 TRP 672 HZ2 TRP 672 33.985 -5.555 -3.989 137 HZ3 TRP 672 HZ3 TRP 672 34.681 -2.223 -6.614 138 HH2 TRP 672 HH2 TRP 672 34.154 -4.626 -6.286 139 H PHE 673 HN PHE 673 35.920 2.252 -1.082 140 HA PHE 673 HA PHE 673 38.504 2.767 -2.197 141 HB2 PHE 673 HB2 PHE 673 36.371 4.544 -0.974 142 HB3 PHE 673 HB1 PHE 673 37.747 5.158 -1.891 143 HD1 PHE 673 HD1 PHE 673 38.136 3.729 -4.194 144 HD2 PHE 673 HD2 PHE 673 34.392 4.317 -2.172 145 HE1 PHE 673 HE1 PHE 673 36.923 3.290 -6.312 146 HE2 PHE 673 HE2 PHE 673 33.179 3.877 -4.290 147 HZ PHE 673 HZ PHE 673 34.445 3.364 -6.360 148 H ASN 674 HN ASN 674 40.178 2.127 -0.756 149 HA ASN 674 HA ASN 674 40.233 3.366 1.954 150 HB2 ASN 674 HB2 ASN 674 42.056 1.724 2.307 151 HB3 ASN 674 HB1 ASN 674 40.605 0.937 1.690 152 HD21 ASN 674 HD21 ASN 674 43.791 0.632 1.344 153 HD22 ASN 674 HD22 ASN 674 43.919 0.294 -0.315 154 H ILE 675 HN ILE 675 40.594 5.248 -0.064 155 HA ILE 675 HA ILE 675 43.159 5.722 -1.063 156 HB ILE 675 HB ILE 675 42.384 8.126 -0.946 157 HG12 ILE 675 HG12 ILE 675 39.696 7.626 -0.225 158 HG13 ILE 675 HG11 ILE 675 40.687 6.972 1.068 159 HG21 ILE 675 HG21 ILE 675 41.410 7.565 -2.887 160 HG22 ILE 675 HG22 ILE 675 39.981 7.030 -2.003 161 HG23 ILE 675 HG23 ILE 675 41.282 5.891 -2.350 162 HD11 ILE 675 HD11 ILE 675 41.593 9.031 1.608 163 HD12 ILE 675 HD12 ILE 675 39.989 9.527 1.067 164 HD13 ILE 675 HD13 ILE 675 41.370 9.670 -0.020 165 H THR 676 HN THR 676 41.910 6.509 2.177 166 HA THR 676 HA THR 676 44.131 8.009 3.094 167 HB THR 676 HB THR 676 41.998 7.716 4.305 168 HG1 THR 676 HG1 THR 676 43.442 8.259 5.766 169 HG21 THR 676 HG21 THR 676 42.704 5.049 5.355 170 HG22 THR 676 HG22 THR 676 42.230 5.071 3.657 171 HG23 THR 676 HG23 THR 676 41.132 5.695 4.887 172 H ASN 677 HN ASN 677 43.757 4.591 2.463 173 HA ASN 677 HA ASN 677 46.069 3.686 3.979 174 HB2 ASN 677 HB2 ASN 677 43.872 2.527 2.933 175 HB3 ASN 677 HB1 ASN 677 45.008 2.193 1.625 176 HD21 ASN 677 HD21 ASN 677 44.303 1.540 5.036 177 HD22 ASN 677 HD22 ASN 677 45.433 0.286 5.211 178 H TRP 678 HN TRP 678 45.441 4.187 0.462 179 HA TRP 678 HA TRP 678 48.317 3.873 -0.060 180 HB2 TRP 678 HB2 TRP 678 47.611 4.357 -2.428 181 HB3 TRP 678 HB1 TRP 678 47.018 2.898 -1.697 182 HD1 TRP 678 HD1 TRP 678 44.377 2.995 -0.887 183 HE1 TRP 678 HE1 TRP 678 42.424 4.132 -2.155 184 HE3 TRP 678 HE3 TRP 678 47.014 6.221 -3.757 185 HZ2 TRP 678 HZ2 TRP 678 42.064 6.180 -4.154 186 HZ3 TRP 678 HZ3 TRP 678 45.877 7.764 -5.344 187 HH2 TRP 678 HH2 TRP 678 43.403 7.744 -5.541 188 H LEU 679 HN LEU 679 46.218 6.442 0.636 189 HA LEU 679 HA LEU 679 47.671 8.591 -0.690 190 HB2 LEU 679 HB2 LEU 679 45.682 8.334 1.566 191 HB3 LEU 679 HB1 LEU 679 46.399 9.894 1.173 192 HG LEU 679 HG LEU 679 44.944 8.135 -0.815 193 HD11 LEU 679 HD11 LEU 679 43.195 9.916 -0.638 194 HD12 LEU 679 HD12 LEU 679 44.087 10.601 0.720 195 HD13 LEU 679 HD13 LEU 679 43.391 8.986 0.847 196 HD21 LEU 679 HD21 LEU 679 44.949 10.526 -1.936 197 HD22 LEU 679 HD22 LEU 679 46.354 9.470 -2.086 198 HD23 LEU 679 HD23 LEU 679 46.353 10.775 -0.899 199 H TRP 680 HN TRP 680 48.166 6.769 2.242 200 HA TRP 680 HA TRP 680 49.538 8.509 3.916 201 HB2 TRP 680 HB2 TRP 680 50.382 6.537 4.886 202 HB3 TRP 680 HB1 TRP 680 48.929 5.996 4.057 203 HD1 TRP 680 HD1 TRP 680 49.562 5.296 1.305 204 HE1 TRP 680 HE1 TRP 680 51.428 3.673 0.578 205 HE3 TRP 680 HE3 TRP 680 52.523 5.442 5.461 206 HZ2 TRP 680 HZ2 TRP 680 53.856 2.580 1.623 207 HZ3 TRP 680 HZ3 TRP 680 54.605 4.102 5.569 208 HH2 TRP 680 HH2 TRP 680 55.275 2.672 3.657 209 H TYR 681 HN TYR 681 50.613 7.330 0.798 210 HA TYR 681 HA TYR 681 53.412 8.207 1.307 211 HB2 TYR 681 HB2 TYR 681 53.974 6.645 -0.268 212 HB3 TYR 681 HB1 TYR 681 52.422 5.972 0.208 213 HD1 TYR 681 HD1 TYR 681 50.461 7.673 -1.100 214 HD2 TYR 681 HD2 TYR 681 54.261 6.302 -2.554 215 HE1 TYR 681 HE1 TYR 681 49.650 7.902 -3.431 216 HE2 TYR 681 HE2 TYR 681 53.453 6.538 -4.886 217 HH TYR 681 HH TYR 681 50.163 6.999 -5.652 218 H ILE 682 HN ILE 682 50.613 9.630 0.015 219 HA ILE 682 HA ILE 682 51.828 10.980 -2.241 220 HB ILE 682 HB ILE 682 49.698 12.159 -2.264 221 HG12 ILE 682 HG12 ILE 682 48.156 11.238 -0.229 222 HG13 ILE 682 HG11 ILE 682 49.719 11.348 0.577 223 HG21 ILE 682 HG21 ILE 682 48.173 10.222 -2.317 224 HG22 ILE 682 HG22 ILE 682 49.376 9.262 -1.459 225 HG23 ILE 682 HG23 ILE 682 49.714 9.848 -3.087 226 HD11 ILE 682 HD11 ILE 682 48.031 13.519 -0.575 227 HD12 ILE 682 HD12 ILE 682 49.782 13.705 -0.666 228 HD13 ILE 682 HD13 ILE 682 48.997 13.510 0.901 229 H LYS 683 HN LYS 683 51.537 11.630 1.163 230 HA LYS 683 HA LYS 683 51.987 14.478 1.104 231 HB2 LYS 683 HB2 LYS 683 52.023 12.231 3.064 232 HB3 LYS 683 HB1 LYS 683 52.856 13.712 3.539 233 HG2 LYS 683 HG2 LYS 683 50.783 14.998 2.950 234 HG3 LYS 683 HG1 LYS 683 49.964 13.461 2.666 235 HD2 LYS 683 HD2 LYS 683 49.857 12.947 4.897 236 HD3 LYS 683 HD1 LYS 683 51.396 13.730 5.257 237 HE2 LYS 683 HE2 LYS 683 50.081 15.361 6.186 238 HE3 LYS 683 HE1 LYS 683 49.833 15.877 4.506 239 HZ1 LYS 683 HZ1 LYS 683 47.698 15.487 5.481 240 HZ2 LYS 683 HZ2 LYS 683 48.171 13.957 6.048 241 HZ3 LYS 683 HZ3 LYS 683 48.002 14.233 4.380 Start of MODEL 2 1 H1 GLU 657 HT1 GLU 657 17.857 -6.273 -2.582 2 H2 GLU 657 HT2 GLU 657 17.946 -7.958 -2.382 3 H3 GLU 657 HT3 GLU 657 18.752 -6.927 -1.298 4 HA GLU 657 HA GLU 657 15.820 -7.324 -1.576 5 HB2 GLU 657 HB2 GLU 657 18.030 -7.965 0.353 6 HB3 GLU 657 HB1 GLU 657 16.399 -7.725 0.980 7 HG2 GLU 657 HG2 GLU 657 16.235 -9.967 0.514 8 HG3 GLU 657 HG1 GLU 657 15.820 -9.351 -1.085 9 H LYS 658 HN LYS 658 14.583 -5.974 -0.014 10 HA LYS 658 HA LYS 658 13.973 -3.845 0.812 11 HB2 LYS 658 HB2 LYS 658 16.840 -4.275 1.655 12 HB3 LYS 658 HB1 LYS 658 15.959 -2.826 2.141 13 HG2 LYS 658 HG2 LYS 658 14.108 -4.495 2.905 14 HG3 LYS 658 HG1 LYS 658 15.397 -5.697 2.850 15 HD2 LYS 658 HD2 LYS 658 15.740 -3.081 4.317 16 HD3 LYS 658 HD1 LYS 658 15.019 -4.490 5.097 17 HE2 LYS 658 HE2 LYS 658 17.015 -5.641 5.161 18 HE3 LYS 658 HE1 LYS 658 17.588 -4.933 3.637 19 HZ1 LYS 658 HZ1 LYS 658 18.711 -4.052 5.675 20 HZ2 LYS 658 HZ2 LYS 658 17.225 -3.366 6.131 21 HZ3 LYS 658 HZ3 LYS 658 17.991 -2.867 4.698 22 H ASP 659 HN ASP 659 15.159 -1.419 0.916 23 HA ASP 659 HA ASP 659 15.175 -0.478 -1.781 24 HB2 ASP 659 HB2 ASP 659 15.695 0.520 0.955 25 HB3 ASP 659 HB1 ASP 659 16.478 1.446 -0.326 26 H LEU 660 HN LEU 660 17.046 0.539 -2.907 27 HA LEU 660 HA LEU 660 19.418 -1.178 -2.803 28 HB2 LEU 660 HB2 LEU 660 18.572 1.201 -4.476 29 HB3 LEU 660 HB1 LEU 660 20.049 0.282 -4.766 30 HG LEU 660 HG LEU 660 18.334 -1.768 -4.684 31 HD11 LEU 660 HD11 LEU 660 16.697 0.683 -5.170 32 HD12 LEU 660 HD12 LEU 660 16.254 -0.820 -4.362 33 HD13 LEU 660 HD13 LEU 660 16.324 -0.754 -6.123 34 HD21 LEU 660 HD21 LEU 660 19.743 -1.401 -6.584 35 HD22 LEU 660 HD22 LEU 660 18.917 0.105 -6.990 36 HD23 LEU 660 HD23 LEU 660 18.095 -1.439 -7.211 37 H LEU 661 HN LEU 661 18.475 1.926 -1.601 38 HA LEU 661 HA LEU 661 21.221 2.898 -1.199 39 HB2 LEU 661 HB2 LEU 661 18.417 3.830 -0.674 40 HB3 LEU 661 HB1 LEU 661 19.788 4.695 0.010 41 HG LEU 661 HG LEU 661 18.727 5.132 -2.477 42 HD11 LEU 661 HD11 LEU 661 21.536 5.612 -1.466 43 HD12 LEU 661 HD12 LEU 661 20.151 6.688 -1.289 44 HD13 LEU 661 HD13 LEU 661 20.851 6.408 -2.883 45 HD21 LEU 661 HD21 LEU 661 21.247 3.499 -2.887 46 HD22 LEU 661 HD22 LEU 661 20.376 4.387 -4.134 47 HD23 LEU 661 HD23 LEU 661 19.622 2.999 -3.357 48 H ALA 662 HN ALA 662 20.056 0.411 0.233 49 HA ALA 662 HA ALA 662 19.678 0.955 2.992 50 HB1 ALA 662 HB1 ALA 662 20.929 -1.453 1.625 51 HB2 ALA 662 HB2 ALA 662 19.194 -1.178 1.783 52 HB3 ALA 662 HB3 ALA 662 20.181 -1.441 3.222 53 H LEU 663 HN LEU 663 21.168 2.268 3.960 54 HA LEU 663 HA LEU 663 23.921 2.525 3.435 55 HB2 LEU 663 HB2 LEU 663 22.330 2.801 6.001 56 HB3 LEU 663 HB1 LEU 663 23.971 3.412 5.794 57 HG LEU 663 HG LEU 663 21.883 4.169 3.781 58 HD11 LEU 663 HD11 LEU 663 21.503 6.229 5.286 59 HD12 LEU 663 HD12 LEU 663 22.157 5.240 6.592 60 HD13 LEU 663 HD13 LEU 663 20.691 4.735 5.752 61 HD21 LEU 663 HD21 LEU 663 23.979 4.997 3.178 62 HD22 LEU 663 HD22 LEU 663 24.480 5.231 4.853 63 HD23 LEU 663 HD23 LEU 663 23.337 6.349 4.110 64 H ASP 664 HN ASP 664 22.231 0.003 5.136 65 HA ASP 664 HA ASP 664 24.478 -1.069 6.614 66 HB2 ASP 664 HB2 ASP 664 21.790 -1.434 6.582 67 HB3 ASP 664 HB1 ASP 664 22.288 -2.836 5.634 68 H SER 665 HN SER 665 23.235 -1.435 3.341 69 HA SER 665 HA SER 665 25.139 -3.618 2.717 70 HB2 SER 665 HB2 SER 665 22.700 -3.499 1.983 71 HB3 SER 665 HB1 SER 665 23.173 -2.172 0.926 72 HG SER 665 HG SER 665 23.217 -4.277 -0.074 73 H TRP 666 HN TRP 666 24.753 -0.189 2.322 74 HA TRP 666 HA TRP 666 26.658 0.181 0.131 75 HB2 TRP 666 HB2 TRP 666 25.029 1.790 2.019 76 HB3 TRP 666 HB1 TRP 666 26.428 2.577 1.318 77 HD1 TRP 666 HD1 TRP 666 23.087 0.969 0.327 78 HE1 TRP 666 HE1 TRP 666 22.545 1.710 -2.091 79 HE3 TRP 666 HE3 TRP 666 27.398 3.338 -0.779 80 HZ2 TRP 666 HZ2 TRP 666 23.827 3.147 -4.235 81 HZ3 TRP 666 HZ3 TRP 666 27.758 4.394 -3.015 82 HH2 TRP 666 HH2 TRP 666 25.971 4.301 -4.737 83 H LYS 667 HN LYS 667 26.784 0.218 3.670 84 HA LYS 667 HA LYS 667 29.172 1.534 4.197 85 HB2 LYS 667 HB2 LYS 667 27.910 -0.967 5.339 86 HB3 LYS 667 HB1 LYS 667 29.384 -0.298 6.040 87 HG2 LYS 667 HG2 LYS 667 27.200 1.646 5.534 88 HG3 LYS 667 HG1 LYS 667 26.898 0.466 6.810 89 HD2 LYS 667 HD2 LYS 667 28.811 1.145 8.043 90 HD3 LYS 667 HD1 LYS 667 29.480 2.028 6.669 91 HE2 LYS 667 HE2 LYS 667 26.790 2.837 7.747 92 HE3 LYS 667 HE1 LYS 667 28.263 3.374 8.579 93 HZ1 LYS 667 HZ1 LYS 667 29.129 4.135 6.435 94 HZ2 LYS 667 HZ2 LYS 667 27.689 4.938 6.842 95 HZ3 LYS 667 HZ3 LYS 667 27.675 3.695 5.683 96 H ASN 668 HN ASN 668 28.791 -1.613 2.660 97 HA ASN 668 HA ASN 668 31.568 -2.432 2.864 98 HB2 ASN 668 HB2 ASN 668 30.757 -4.286 1.786 99 HB3 ASN 668 HB1 ASN 668 29.186 -3.576 2.144 100 HD21 ASN 668 HD21 ASN 668 27.866 -3.148 0.355 101 HD22 ASN 668 HD22 ASN 668 28.405 -3.097 -1.254 102 H LEU 669 HN LEU 669 29.720 -0.619 0.404 103 HA LEU 669 HA LEU 669 31.938 -0.387 -1.468 104 HB2 LEU 669 HB2 LEU 669 29.274 -0.083 -1.588 105 HB3 LEU 669 HB1 LEU 669 29.727 1.604 -1.330 106 HG LEU 669 HG LEU 669 31.385 0.173 -3.313 107 HD11 LEU 669 HD11 LEU 669 29.526 0.583 -5.058 108 HD12 LEU 669 HD12 LEU 669 28.420 0.587 -3.684 109 HD13 LEU 669 HD13 LEU 669 29.381 -0.848 -4.039 110 HD21 LEU 669 HD21 LEU 669 31.567 2.594 -2.859 111 HD22 LEU 669 HD22 LEU 669 29.878 2.809 -3.320 112 HD23 LEU 669 HD23 LEU 669 31.063 2.305 -4.524 113 H TRP 670 HN TRP 670 30.623 1.728 1.132 114 HA TRP 670 HA TRP 670 32.320 3.957 0.533 115 HB2 TRP 670 HB2 TRP 670 30.849 2.953 2.978 116 HB3 TRP 670 HB1 TRP 670 31.794 4.433 3.045 117 HD1 TRP 670 HD1 TRP 670 28.808 4.680 3.548 118 HE1 TRP 670 HE1 TRP 670 27.255 5.958 1.938 119 HE3 TRP 670 HE3 TRP 670 31.596 4.481 -0.743 120 HZ2 TRP 670 HZ2 TRP 670 27.198 6.788 -0.790 121 HZ3 TRP 670 HZ3 TRP 670 30.762 5.527 -2.822 122 HH2 TRP 670 HH2 TRP 670 28.568 6.678 -2.854 123 H ASN 671 HN ASN 671 32.828 1.018 2.417 124 HA ASN 671 HA ASN 671 35.350 1.946 3.568 125 HB2 ASN 671 HB2 ASN 671 33.628 -0.484 3.523 126 HB3 ASN 671 HB1 ASN 671 35.336 -0.739 3.885 127 HD21 ASN 671 HD21 ASN 671 32.340 0.640 5.103 128 HD22 ASN 671 HD22 ASN 671 32.943 1.080 6.627 129 H TRP 672 HN TRP 672 34.317 0.269 0.683 130 HA TRP 672 HA TRP 672 36.549 -1.164 -0.167 131 HB2 TRP 672 HB2 TRP 672 34.243 0.209 -1.302 132 HB3 TRP 672 HB1 TRP 672 35.598 0.199 -2.424 133 HD1 TRP 672 HD1 TRP 672 34.670 -2.588 0.082 134 HE1 TRP 672 HE1 TRP 672 34.229 -4.742 -1.264 135 HE3 TRP 672 HE3 TRP 672 35.097 -0.751 -4.641 136 HZ2 TRP 672 HZ2 TRP 672 34.084 -5.577 -4.005 137 HZ3 TRP 672 HZ3 TRP 672 34.805 -2.237 -6.612 138 HH2 TRP 672 HH2 TRP 672 34.298 -4.646 -6.298 139 H PHE 673 HN PHE 673 35.916 2.245 -1.073 140 HA PHE 673 HA PHE 673 38.581 2.685 -2.108 141 HB2 PHE 673 HB2 PHE 673 36.303 4.493 -1.257 142 HB3 PHE 673 HB1 PHE 673 37.756 5.080 -2.068 143 HD1 PHE 673 HD1 PHE 673 38.322 4.251 -4.369 144 HD2 PHE 673 HD2 PHE 673 34.578 3.353 -2.464 145 HE1 PHE 673 HE1 PHE 673 37.359 3.612 -6.564 146 HE2 PHE 673 HE2 PHE 673 33.616 2.713 -4.659 147 HZ PHE 673 HZ PHE 673 35.006 2.843 -6.708 148 H ASN 674 HN ASN 674 39.550 1.728 0.032 149 HA ASN 674 HA ASN 674 39.704 3.736 2.223 150 HB2 ASN 674 HB2 ASN 674 39.932 0.842 1.877 151 HB3 ASN 674 HB1 ASN 674 41.261 1.494 2.835 152 HD21 ASN 674 HD21 ASN 674 39.980 3.609 4.192 153 HD22 ASN 674 HD22 ASN 674 38.768 2.978 5.200 154 H ILE 675 HN ILE 675 41.070 5.302 1.141 155 HA ILE 675 HA ILE 675 43.520 4.716 -0.207 156 HB ILE 675 HB ILE 675 43.222 7.197 1.462 157 HG12 ILE 675 HG12 ILE 675 41.495 6.535 -0.951 158 HG13 ILE 675 HG11 ILE 675 40.926 6.856 0.685 159 HG21 ILE 675 HG21 ILE 675 44.763 6.332 -0.762 160 HG22 ILE 675 HG22 ILE 675 44.761 7.927 -0.009 161 HG23 ILE 675 HG23 ILE 675 43.678 7.588 -1.354 162 HD11 ILE 675 HD11 ILE 675 42.051 9.131 0.497 163 HD12 ILE 675 HD12 ILE 675 40.627 8.895 -0.515 164 HD13 ILE 675 HD13 ILE 675 42.238 8.794 -1.224 165 H THR 676 HN THR 676 42.799 5.160 3.228 166 HA THR 676 HA THR 676 45.425 5.343 4.243 167 HB THR 676 HB THR 676 42.971 3.897 5.305 168 HG1 THR 676 HG1 THR 676 43.937 6.548 5.574 169 HG21 THR 676 HG21 THR 676 44.036 4.463 7.531 170 HG22 THR 676 HG22 THR 676 45.506 4.855 6.638 171 HG23 THR 676 HG23 THR 676 44.863 3.213 6.601 172 H ASN 677 HN ASN 677 43.677 2.592 2.908 173 HA ASN 677 HA ASN 677 45.502 0.554 3.915 174 HB2 ASN 677 HB2 ASN 677 43.100 0.798 2.212 175 HB3 ASN 677 HB1 ASN 677 44.175 -0.525 1.762 176 HD21 ASN 677 HD21 ASN 677 45.156 -1.370 4.237 177 HD22 ASN 677 HD22 ASN 677 43.877 -1.911 5.213 178 H TRP 678 HN TRP 678 45.004 2.119 0.714 179 HA TRP 678 HA TRP 678 47.461 0.825 -0.282 180 HB2 TRP 678 HB2 TRP 678 46.916 2.294 -2.324 181 HB3 TRP 678 HB1 TRP 678 45.949 0.897 -1.961 182 HD1 TRP 678 HD1 TRP 678 43.516 1.512 -0.645 183 HE1 TRP 678 HE1 TRP 678 41.929 3.451 -1.288 184 HE3 TRP 678 HE3 TRP 678 46.786 4.469 -3.128 185 HZ2 TRP 678 HZ2 TRP 678 42.063 5.959 -2.702 186 HZ3 TRP 678 HZ3 TRP 678 46.062 6.631 -4.134 187 HH2 TRP 678 HH2 TRP 678 43.703 7.375 -3.919 188 H LEU 679 HN LEU 679 46.664 3.726 1.275 189 HA LEU 679 HA LEU 679 48.846 5.393 0.305 190 HB2 LEU 679 HB2 LEU 679 47.002 5.312 2.691 191 HB3 LEU 679 HB1 LEU 679 48.332 6.465 2.646 192 HG LEU 679 HG LEU 679 46.220 6.205 0.496 193 HD11 LEU 679 HD11 LEU 679 45.028 7.164 2.235 194 HD12 LEU 679 HD12 LEU 679 45.768 8.606 1.541 195 HD13 LEU 679 HD13 LEU 679 46.470 7.858 2.976 196 HD21 LEU 679 HD21 LEU 679 47.280 8.602 0.100 197 HD22 LEU 679 HD22 LEU 679 48.043 7.162 -0.574 198 HD23 LEU 679 HD23 LEU 679 48.668 7.878 0.911 199 H TRP 680 HN TRP 680 48.613 2.782 2.609 200 HA TRP 680 HA TRP 680 50.675 3.264 4.408 201 HB2 TRP 680 HB2 TRP 680 50.591 0.945 4.759 202 HB3 TRP 680 HB1 TRP 680 49.027 1.291 4.036 203 HD1 TRP 680 HD1 TRP 680 49.216 1.154 1.141 204 HE1 TRP 680 HE1 TRP 680 50.188 -0.823 -0.196 205 HE3 TRP 680 HE3 TRP 680 52.086 -1.023 4.756 206 HZ2 TRP 680 HZ2 TRP 680 51.952 -3.039 0.216 207 HZ3 TRP 680 HZ3 TRP 680 53.401 -3.063 4.259 208 HH2 TRP 680 HH2 TRP 680 53.337 -4.073 1.996 209 H TYR 681 HN TYR 681 51.002 2.686 0.975 210 HA TYR 681 HA TYR 681 53.914 2.125 1.223 211 HB2 TYR 681 HB2 TYR 681 53.657 1.006 -0.755 212 HB3 TYR 681 HB1 TYR 681 51.984 0.944 -0.220 213 HD1 TYR 681 HD1 TYR 681 50.958 3.614 -0.737 214 HD2 TYR 681 HD2 TYR 681 53.687 1.260 -3.070 215 HE1 TYR 681 HE1 TYR 681 50.262 4.834 -2.781 216 HE2 TYR 681 HE2 TYR 681 52.997 2.484 -5.113 217 HH TYR 681 HH TYR 681 51.204 5.357 -5.015 218 H ILE 682 HN ILE 682 52.002 4.897 0.801 219 HA ILE 682 HA ILE 682 53.607 6.215 -1.219 220 HB ILE 682 HB ILE 682 52.231 8.125 -0.594 221 HG12 ILE 682 HG12 ILE 682 50.522 7.386 1.377 222 HG13 ILE 682 HG11 ILE 682 51.993 6.575 1.913 223 HG21 ILE 682 HG21 ILE 682 50.001 7.120 -0.876 224 HG22 ILE 682 HG22 ILE 682 50.670 5.538 -0.482 225 HG23 ILE 682 HG23 ILE 682 51.178 6.369 -1.951 226 HD11 ILE 682 HD11 ILE 682 51.415 9.483 1.684 227 HD12 ILE 682 HD12 ILE 682 53.047 8.961 1.267 228 HD13 ILE 682 HD13 ILE 682 52.395 8.619 2.868 229 H LYS 683 HN LYS 683 53.769 5.881 2.238 230 HA LYS 683 HA LYS 683 55.535 8.148 2.720 231 HB2 LYS 683 HB2 LYS 683 55.699 7.079 4.966 232 HB3 LYS 683 HB1 LYS 683 54.027 7.220 4.424 233 HG2 LYS 683 HG2 LYS 683 53.762 4.960 4.214 234 HG3 LYS 683 HG1 LYS 683 55.414 4.716 3.648 235 HD2 LYS 683 HD2 LYS 683 55.954 5.467 6.171 236 HD3 LYS 683 HD1 LYS 683 54.353 4.772 6.432 237 HE2 LYS 683 HE2 LYS 683 55.708 2.876 6.678 238 HE3 LYS 683 HE1 LYS 683 55.341 2.793 4.943 239 HZ1 LYS 683 HZ1 LYS 683 57.336 4.109 4.509 240 HZ2 LYS 683 HZ2 LYS 683 57.722 2.654 5.295 241 HZ3 LYS 683 HZ3 LYS 683 57.707 4.116 6.163 Start of MODEL 3 1 H1 GLU 657 HT1 GLU 657 12.024 -5.076 2.652 2 H2 GLU 657 HT2 GLU 657 11.975 -3.413 2.309 3 H3 GLU 657 HT3 GLU 657 11.143 -4.030 3.656 4 HA GLU 657 HA GLU 657 13.277 -2.884 4.223 5 HB2 GLU 657 HB2 GLU 657 12.324 -5.617 4.875 6 HB3 GLU 657 HB1 GLU 657 13.951 -5.231 5.435 7 HG2 GLU 657 HG2 GLU 657 12.707 -2.960 6.170 8 HG3 GLU 657 HG1 GLU 657 11.340 -4.072 6.266 9 H LYS 658 HN LYS 658 13.774 -3.555 1.449 10 HA LYS 658 HA LYS 658 16.596 -4.441 1.694 11 HB2 LYS 658 HB2 LYS 658 16.221 -6.117 -0.124 12 HB3 LYS 658 HB1 LYS 658 15.305 -6.492 1.335 13 HG2 LYS 658 HG2 LYS 658 13.285 -6.051 0.347 14 HG3 LYS 658 HG1 LYS 658 13.941 -4.761 -0.660 15 HD2 LYS 658 HD2 LYS 658 15.053 -6.455 -2.087 16 HD3 LYS 658 HD1 LYS 658 14.347 -7.734 -1.099 17 HE2 LYS 658 HE2 LYS 658 12.182 -7.335 -1.889 18 HE3 LYS 658 HE1 LYS 658 12.547 -5.653 -2.326 19 HZ1 LYS 658 HZ1 LYS 658 13.960 -6.387 -4.082 20 HZ2 LYS 658 HZ2 LYS 658 12.478 -7.198 -4.258 21 HZ3 LYS 658 HZ3 LYS 658 13.822 -8.009 -3.608 22 H ASP 659 HN ASP 659 15.534 -1.857 1.109 23 HA ASP 659 HA ASP 659 15.258 -1.271 -1.673 24 HB2 ASP 659 HB2 ASP 659 15.732 0.111 0.883 25 HB3 ASP 659 HB1 ASP 659 16.408 0.959 -0.508 26 H LEU 660 HN LEU 660 17.031 0.269 -2.735 27 HA LEU 660 HA LEU 660 19.507 -1.320 -2.898 28 HB2 LEU 660 HB2 LEU 660 18.486 1.120 -4.380 29 HB3 LEU 660 HB1 LEU 660 19.920 0.195 -4.830 30 HG LEU 660 HG LEU 660 18.138 -1.821 -4.686 31 HD11 LEU 660 HD11 LEU 660 16.124 -0.660 -6.030 32 HD12 LEU 660 HD12 LEU 660 16.591 0.706 -5.016 33 HD13 LEU 660 HD13 LEU 660 16.107 -0.819 -4.274 34 HD21 LEU 660 HD21 LEU 660 19.490 -1.452 -6.633 35 HD22 LEU 660 HD22 LEU 660 18.684 0.077 -6.981 36 HD23 LEU 660 HD23 LEU 660 17.816 -1.445 -7.188 37 H LEU 661 HN LEU 661 18.412 1.716 -1.602 38 HA LEU 661 HA LEU 661 21.120 2.789 -1.194 39 HB2 LEU 661 HB2 LEU 661 18.284 3.610 -0.662 40 HB3 LEU 661 HB1 LEU 661 19.620 4.519 0.032 41 HG LEU 661 HG LEU 661 18.546 4.939 -2.452 42 HD11 LEU 661 HD11 LEU 661 20.136 6.318 -0.973 43 HD12 LEU 661 HD12 LEU 661 20.294 6.517 -2.718 44 HD13 LEU 661 HD13 LEU 661 21.440 5.507 -1.838 45 HD21 LEU 661 HD21 LEU 661 21.126 3.403 -2.875 46 HD22 LEU 661 HD22 LEU 661 20.223 4.269 -4.114 47 HD23 LEU 661 HD23 LEU 661 19.520 2.848 -3.349 48 H ALA 662 HN ALA 662 20.055 0.247 0.218 49 HA ALA 662 HA ALA 662 19.655 0.753 2.982 50 HB1 ALA 662 HB1 ALA 662 20.227 -1.620 3.193 51 HB2 ALA 662 HB2 ALA 662 21.017 -1.595 1.617 52 HB3 ALA 662 HB3 ALA 662 19.270 -1.388 1.731 53 H LEU 663 HN LEU 663 21.098 2.135 3.941 54 HA LEU 663 HA LEU 663 23.844 2.478 3.420 55 HB2 LEU 663 HB2 LEU 663 22.107 2.789 5.870 56 HB3 LEU 663 HB1 LEU 663 23.812 3.239 5.899 57 HG LEU 663 HG LEU 663 22.074 4.249 3.671 58 HD11 LEU 663 HD11 LEU 663 21.429 6.183 5.013 59 HD12 LEU 663 HD12 LEU 663 22.299 5.543 6.407 60 HD13 LEU 663 HD13 LEU 663 20.862 4.714 5.808 61 HD21 LEU 663 HD21 LEU 663 24.259 5.680 5.183 62 HD22 LEU 663 HD22 LEU 663 23.715 5.940 3.526 63 HD23 LEU 663 HD23 LEU 663 24.651 4.502 3.931 64 H ASP 664 HN ASP 664 22.224 -0.081 5.135 65 HA ASP 664 HA ASP 664 24.510 -1.087 6.605 66 HB2 ASP 664 HB2 ASP 664 21.838 -2.167 5.684 67 HB3 ASP 664 HB1 ASP 664 22.980 -3.185 6.562 68 H SER 665 HN SER 665 23.256 -1.478 3.345 69 HA SER 665 HA SER 665 25.179 -3.641 2.712 70 HB2 SER 665 HB2 SER 665 22.683 -3.407 1.996 71 HB3 SER 665 HB1 SER 665 23.292 -2.243 0.822 72 HG SER 665 HG SER 665 23.587 -4.026 -0.292 73 H TRP 666 HN TRP 666 24.743 -0.217 2.310 74 HA TRP 666 HA TRP 666 26.645 0.180 0.123 75 HB2 TRP 666 HB2 TRP 666 25.003 1.766 2.022 76 HB3 TRP 666 HB1 TRP 666 26.392 2.570 1.318 77 HD1 TRP 666 HD1 TRP 666 23.066 0.925 0.329 78 HE1 TRP 666 HE1 TRP 666 22.508 1.672 -2.085 79 HE3 TRP 666 HE3 TRP 666 27.341 3.356 -0.772 80 HZ2 TRP 666 HZ2 TRP 666 23.767 3.140 -4.223 81 HZ3 TRP 666 HZ3 TRP 666 27.682 4.433 -3.003 82 HH2 TRP 666 HH2 TRP 666 25.894 4.326 -4.722 83 H LYS 667 HN LYS 667 26.771 0.211 3.659 84 HA LYS 667 HA LYS 667 29.155 1.543 4.187 85 HB2 LYS 667 HB2 LYS 667 27.684 -0.779 5.347 86 HB3 LYS 667 HB1 LYS 667 29.334 -0.535 5.922 87 HG2 LYS 667 HG2 LYS 667 28.654 1.936 6.250 88 HG3 LYS 667 HG1 LYS 667 26.993 1.362 6.094 89 HD2 LYS 667 HD2 LYS 667 28.842 -0.056 7.980 90 HD3 LYS 667 HD1 LYS 667 28.136 1.483 8.474 91 HE2 LYS 667 HE2 LYS 667 25.970 0.634 8.511 92 HE3 LYS 667 HE1 LYS 667 26.329 -0.607 7.293 93 HZ1 LYS 667 HZ1 LYS 667 26.181 -1.533 9.556 94 HZ2 LYS 667 HZ2 LYS 667 27.474 -0.540 10.036 95 HZ3 LYS 667 HZ3 LYS 667 27.717 -1.752 8.870 96 H ASN 668 HN ASN 668 28.788 -1.614 2.664 97 HA ASN 668 HA ASN 668 31.569 -2.420 2.879 98 HB2 ASN 668 HB2 ASN 668 30.777 -4.284 1.795 99 HB3 ASN 668 HB1 ASN 668 29.204 -3.594 2.179 100 HD21 ASN 668 HD21 ASN 668 28.209 -2.183 0.418 101 HD22 ASN 668 HD22 ASN 668 28.570 -2.542 -1.200 102 H LEU 669 HN LEU 669 29.724 -0.599 0.429 103 HA LEU 669 HA LEU 669 31.939 -0.389 -1.455 104 HB2 LEU 669 HB2 LEU 669 29.280 -0.084 -1.583 105 HB3 LEU 669 HB1 LEU 669 29.725 1.602 -1.314 106 HG LEU 669 HG LEU 669 31.397 0.192 -3.300 107 HD11 LEU 669 HD11 LEU 669 28.426 0.466 -3.601 108 HD12 LEU 669 HD12 LEU 669 29.490 -0.828 -4.154 109 HD13 LEU 669 HD13 LEU 669 29.457 0.713 -5.011 110 HD21 LEU 669 HD21 LEU 669 31.304 2.305 -4.403 111 HD22 LEU 669 HD22 LEU 669 31.367 2.680 -2.682 112 HD23 LEU 669 HD23 LEU 669 29.833 2.769 -3.547 113 H TRP 670 HN TRP 670 30.631 1.727 1.145 114 HA TRP 670 HA TRP 670 32.325 3.956 0.544 115 HB2 TRP 670 HB2 TRP 670 30.862 2.948 2.992 116 HB3 TRP 670 HB1 TRP 670 31.806 4.430 3.059 117 HD1 TRP 670 HD1 TRP 670 28.822 4.674 3.570 118 HE1 TRP 670 HE1 TRP 670 27.262 5.950 1.965 119 HE3 TRP 670 HE3 TRP 670 31.594 4.478 -0.731 120 HZ2 TRP 670 HZ2 TRP 670 27.194 6.778 -0.763 121 HZ3 TRP 670 HZ3 TRP 670 30.752 5.522 -2.807 122 HH2 TRP 670 HH2 TRP 670 28.557 6.670 -2.832 123 H ASN 671 HN ASN 671 32.843 1.016 2.422 124 HA ASN 671 HA ASN 671 35.371 1.948 3.559 125 HB2 ASN 671 HB2 ASN 671 33.713 -0.547 3.475 126 HB3 ASN 671 HB1 ASN 671 35.400 -0.683 3.970 127 HD21 ASN 671 HD21 ASN 671 33.000 -1.020 5.704 128 HD22 ASN 671 HD22 ASN 671 33.137 0.152 6.924 129 H TRP 672 HN TRP 672 34.320 0.282 0.680 130 HA TRP 672 HA TRP 672 36.539 -1.163 -0.186 131 HB2 TRP 672 HB2 TRP 672 34.226 0.208 -1.297 132 HB3 TRP 672 HB1 TRP 672 35.575 0.233 -2.427 133 HD1 TRP 672 HD1 TRP 672 34.660 -2.599 0.034 134 HE1 TRP 672 HE1 TRP 672 34.249 -4.738 -1.346 135 HE3 TRP 672 HE3 TRP 672 35.121 -0.694 -4.662 136 HZ2 TRP 672 HZ2 TRP 672 34.139 -5.536 -4.101 137 HZ3 TRP 672 HZ3 TRP 672 34.860 -2.155 -6.654 138 HH2 TRP 672 HH2 TRP 672 34.370 -4.571 -6.378 139 H PHE 673 HN PHE 673 35.926 2.259 -1.070 140 HA PHE 673 HA PHE 673 38.651 2.641 -2.039 141 HB2 PHE 673 HB2 PHE 673 36.238 4.391 -1.528 142 HB3 PHE 673 HB1 PHE 673 37.758 5.054 -2.131 143 HD1 PHE 673 HD1 PHE 673 38.826 3.559 -4.126 144 HD2 PHE 673 HD2 PHE 673 34.655 3.804 -3.128 145 HE1 PHE 673 HE1 PHE 673 38.234 2.834 -6.422 146 HE2 PHE 673 HE2 PHE 673 34.063 3.079 -5.425 147 HZ PHE 673 HZ PHE 673 35.852 2.593 -7.072 148 H ASN 674 HN ASN 674 39.266 1.785 0.364 149 HA ASN 674 HA ASN 674 39.382 4.041 2.298 150 HB2 ASN 674 HB2 ASN 674 39.391 1.116 2.325 151 HB3 ASN 674 HB1 ASN 674 40.656 1.789 3.354 152 HD21 ASN 674 HD21 ASN 674 39.425 4.140 4.292 153 HD22 ASN 674 HD22 ASN 674 38.054 3.735 5.207 154 H ILE 675 HN ILE 675 41.000 5.374 1.300 155 HA ILE 675 HA ILE 675 43.509 4.459 0.269 156 HB ILE 675 HB ILE 675 42.751 7.089 1.595 157 HG12 ILE 675 HG12 ILE 675 42.631 6.353 -1.342 158 HG13 ILE 675 HG11 ILE 675 41.230 6.284 -0.278 159 HG21 ILE 675 HG21 ILE 675 44.482 7.945 -0.082 160 HG22 ILE 675 HG22 ILE 675 44.965 6.262 -0.291 161 HG23 ILE 675 HG23 ILE 675 45.116 7.033 1.288 162 HD11 ILE 675 HD11 ILE 675 41.035 8.437 -1.150 163 HD12 ILE 675 HD12 ILE 675 42.781 8.681 -1.199 164 HD13 ILE 675 HD13 ILE 675 41.927 8.739 0.342 165 H THR 676 HN THR 676 42.452 5.325 3.554 166 HA THR 676 HA THR 676 44.906 5.570 4.893 167 HB THR 676 HB THR 676 42.680 5.913 5.895 168 HG1 THR 676 HG1 THR 676 43.902 5.569 7.572 169 HG21 THR 676 HG21 THR 676 41.478 4.095 4.804 170 HG22 THR 676 HG22 THR 676 41.337 3.916 6.553 171 HG23 THR 676 HG23 THR 676 42.461 2.900 5.650 172 H ASN 677 HN ASN 677 43.440 2.681 3.560 173 HA ASN 677 HA ASN 677 45.257 0.841 4.982 174 HB2 ASN 677 HB2 ASN 677 43.145 0.644 2.824 175 HB3 ASN 677 HB1 ASN 677 44.124 -0.750 3.283 176 HD21 ASN 677 HD21 ASN 677 44.282 -0.734 5.974 177 HD22 ASN 677 HD22 ASN 677 42.752 -0.690 6.708 178 H TRP 678 HN TRP 678 45.170 2.686 2.045 179 HA TRP 678 HA TRP 678 47.139 1.134 0.553 180 HB2 TRP 678 HB2 TRP 678 45.412 3.487 0.293 181 HB3 TRP 678 HB1 TRP 678 46.979 3.728 -0.458 182 HD1 TRP 678 HD1 TRP 678 44.047 1.251 -0.500 183 HE1 TRP 678 HE1 TRP 678 43.999 0.143 -2.842 184 HE3 TRP 678 HE3 TRP 678 48.224 3.304 -2.445 185 HZ2 TRP 678 HZ2 TRP 678 45.586 0.155 -5.254 186 HZ3 TRP 678 HZ3 TRP 678 48.971 2.768 -4.765 187 HH2 TRP 678 HH2 TRP 678 47.652 1.195 -6.167 188 H LEU 679 HN LEU 679 47.181 3.802 2.818 189 HA LEU 679 HA LEU 679 49.804 4.791 2.071 190 HB2 LEU 679 HB2 LEU 679 48.214 5.188 4.615 191 HB3 LEU 679 HB1 LEU 679 49.441 6.261 3.952 192 HG LEU 679 HG LEU 679 46.693 5.679 2.859 193 HD11 LEU 679 HD11 LEU 679 48.192 8.112 3.795 194 HD12 LEU 679 HD12 LEU 679 46.657 7.474 4.384 195 HD13 LEU 679 HD13 LEU 679 46.742 8.243 2.799 196 HD21 LEU 679 HD21 LEU 679 47.542 7.319 0.993 197 HD22 LEU 679 HD22 LEU 679 47.914 5.600 0.862 198 HD23 LEU 679 HD23 LEU 679 49.138 6.724 1.454 199 H TRP 680 HN TRP 680 48.706 2.235 4.123 200 HA TRP 680 HA TRP 680 50.544 2.015 6.179 201 HB2 TRP 680 HB2 TRP 680 48.924 0.250 4.497 202 HB3 TRP 680 HB1 TRP 680 50.343 -0.565 5.153 203 HD1 TRP 680 HD1 TRP 680 46.993 0.835 6.118 204 HE1 TRP 680 HE1 TRP 680 46.568 0.416 8.626 205 HE3 TRP 680 HE3 TRP 680 51.631 -0.761 7.545 206 HZ2 TRP 680 HZ2 TRP 680 48.004 -0.479 10.932 207 HZ3 TRP 680 HZ3 TRP 680 52.073 -1.390 9.900 208 HH2 TRP 680 HH2 TRP 680 50.268 -1.250 11.595 209 H TYR 681 HN TYR 681 51.136 1.559 2.743 210 HA TYR 681 HA TYR 681 53.849 0.432 3.163 211 HB2 TYR 681 HB2 TYR 681 52.642 1.318 0.548 212 HB3 TYR 681 HB1 TYR 681 53.752 -0.015 0.855 213 HD1 TYR 681 HD1 TYR 681 52.703 -1.707 2.781 214 HD2 TYR 681 HD2 TYR 681 50.504 0.664 -0.044 215 HE1 TYR 681 HE1 TYR 681 50.779 -3.257 2.978 216 HE2 TYR 681 HE2 TYR 681 48.580 -0.882 0.151 217 HH TYR 681 HH TYR 681 47.859 -2.656 2.313 218 H ILE 682 HN ILE 682 52.347 3.539 2.358 219 HA ILE 682 HA ILE 682 55.100 4.629 2.097 220 HB ILE 682 HB ILE 682 53.640 6.387 0.696 221 HG12 ILE 682 HG12 ILE 682 52.227 3.813 0.038 222 HG13 ILE 682 HG11 ILE 682 51.574 4.906 1.257 223 HG21 ILE 682 HG21 ILE 682 55.592 4.909 -0.016 224 HG22 ILE 682 HG22 ILE 682 54.424 5.293 -1.280 225 HG23 ILE 682 HG23 ILE 682 54.386 3.714 -0.494 226 HD11 ILE 682 HD11 ILE 682 51.909 6.743 -0.572 227 HD12 ILE 682 HD12 ILE 682 50.524 5.658 -0.698 228 HD13 ILE 682 HD13 ILE 682 51.958 5.378 -1.688 229 H LYS 683 HN LYS 683 52.075 6.403 2.273 230 HA LYS 683 HA LYS 683 53.092 8.260 4.226 231 HB2 LYS 683 HB2 LYS 683 50.584 7.674 2.759 232 HB3 LYS 683 HB1 LYS 683 50.379 8.551 4.276 233 HG2 LYS 683 HG2 LYS 683 50.780 10.354 2.908 234 HG3 LYS 683 HG1 LYS 683 52.454 9.936 3.272 235 HD2 LYS 683 HD2 LYS 683 52.633 9.928 0.987 236 HD3 LYS 683 HD1 LYS 683 52.032 8.281 1.180 237 HE2 LYS 683 HE2 LYS 683 50.432 8.998 -0.314 238 HE3 LYS 683 HE1 LYS 683 49.677 9.671 1.144 239 HZ1 LYS 683 HZ1 LYS 683 51.085 11.674 0.807 240 HZ2 LYS 683 HZ2 LYS 683 49.930 11.440 -0.416 241 HZ3 LYS 683 HZ3 LYS 683 51.559 11.047 -0.696 Start of MODEL 4 1 H1 GLU 657 HT1 GLU 657 13.577 -7.183 2.264 2 H2 GLU 657 HT2 GLU 657 12.441 -7.166 3.527 3 H3 GLU 657 HT3 GLU 657 14.053 -7.604 3.835 4 HA GLU 657 HA GLU 657 13.105 -4.903 3.013 5 HB2 GLU 657 HB2 GLU 657 12.539 -5.680 5.312 6 HB3 GLU 657 HB1 GLU 657 14.247 -6.019 5.597 7 HG2 GLU 657 HG2 GLU 657 14.442 -3.467 4.735 8 HG3 GLU 657 HG1 GLU 657 12.833 -3.407 5.458 9 H LYS 658 HN LYS 658 14.792 -5.148 1.255 10 HA LYS 658 HA LYS 658 17.439 -4.295 2.284 11 HB2 LYS 658 HB2 LYS 658 16.755 -6.928 1.164 12 HB3 LYS 658 HB1 LYS 658 18.125 -6.163 0.359 13 HG2 LYS 658 HG2 LYS 658 19.402 -6.082 2.319 14 HG3 LYS 658 HG1 LYS 658 17.985 -6.203 3.362 15 HD2 LYS 658 HD2 LYS 658 17.644 -8.546 2.431 16 HD3 LYS 658 HD1 LYS 658 19.240 -8.394 1.695 17 HE2 LYS 658 HE2 LYS 658 19.910 -7.657 4.183 18 HE3 LYS 658 HE1 LYS 658 18.509 -8.673 4.580 19 HZ1 LYS 658 HZ1 LYS 658 20.413 -10.086 4.427 20 HZ2 LYS 658 HZ2 LYS 658 20.857 -9.430 2.924 21 HZ3 LYS 658 HZ3 LYS 658 19.451 -10.374 3.061 22 H ASP 659 HN ASP 659 16.181 -2.394 1.146 23 HA ASP 659 HA ASP 659 15.832 -2.322 -1.688 24 HB2 ASP 659 HB2 ASP 659 15.978 -0.482 0.611 25 HB3 ASP 659 HB1 ASP 659 16.449 0.255 -0.921 26 H LEU 660 HN LEU 660 17.283 -0.432 -2.866 27 HA LEU 660 HA LEU 660 19.963 -1.598 -3.069 28 HB2 LEU 660 HB2 LEU 660 18.595 0.739 -4.431 29 HB3 LEU 660 HB1 LEU 660 20.135 0.041 -4.936 30 HG LEU 660 HG LEU 660 17.909 -1.888 -4.606 31 HD11 LEU 660 HD11 LEU 660 17.787 0.446 -6.451 32 HD12 LEU 660 HD12 LEU 660 16.476 -0.494 -5.739 33 HD13 LEU 660 HD13 LEU 660 17.358 -1.124 -7.131 34 HD21 LEU 660 HD21 LEU 660 19.896 -2.796 -5.478 35 HD22 LEU 660 HD22 LEU 660 20.212 -1.380 -6.481 36 HD23 LEU 660 HD23 LEU 660 18.935 -2.511 -6.929 37 H LEU 661 HN LEU 661 18.494 1.328 -1.828 38 HA LEU 661 HA LEU 661 21.054 2.652 -1.287 39 HB2 LEU 661 HB2 LEU 661 18.131 3.174 -0.873 40 HB3 LEU 661 HB1 LEU 661 19.333 4.213 -0.118 41 HG LEU 661 HG LEU 661 18.339 4.569 -2.627 42 HD11 LEU 661 HD11 LEU 661 20.984 5.338 -1.402 43 HD12 LEU 661 HD12 LEU 661 19.510 6.302 -1.505 44 HD13 LEU 661 HD13 LEU 661 20.459 5.982 -2.958 45 HD21 LEU 661 HD21 LEU 661 20.093 4.023 -4.251 46 HD22 LEU 661 HD22 LEU 661 19.476 2.552 -3.505 47 HD23 LEU 661 HD23 LEU 661 21.027 3.216 -2.993 48 H ALA 662 HN ALA 662 20.095 0.010 0.117 49 HA ALA 662 HA ALA 662 19.632 0.535 2.870 50 HB1 ALA 662 HB1 ALA 662 19.248 -1.664 2.214 51 HB2 ALA 662 HB2 ALA 662 20.851 -1.837 2.926 52 HB3 ALA 662 HB3 ALA 662 20.673 -1.709 1.176 53 H LEU 663 HN LEU 663 21.004 1.996 3.824 54 HA LEU 663 HA LEU 663 23.739 2.449 3.331 55 HB2 LEU 663 HB2 LEU 663 23.699 3.466 5.590 56 HB3 LEU 663 HB1 LEU 663 22.231 3.859 4.695 57 HG LEU 663 HG LEU 663 21.424 1.570 5.877 58 HD11 LEU 663 HD11 LEU 663 22.453 1.100 7.873 59 HD12 LEU 663 HD12 LEU 663 22.887 2.784 8.165 60 HD13 LEU 663 HD13 LEU 663 23.843 1.809 7.050 61 HD21 LEU 663 HD21 LEU 663 21.424 4.181 7.403 62 HD22 LEU 663 HD22 LEU 663 20.161 2.951 7.351 63 HD23 LEU 663 HD23 LEU 663 20.469 3.959 5.937 64 H ASP 664 HN ASP 664 22.192 -0.106 5.120 65 HA ASP 664 HA ASP 664 24.507 -1.037 6.588 66 HB2 ASP 664 HB2 ASP 664 21.854 -1.516 6.650 67 HB3 ASP 664 HB1 ASP 664 22.354 -2.899 5.675 68 H SER 665 HN SER 665 23.271 -1.489 3.333 69 HA SER 665 HA SER 665 25.216 -3.642 2.732 70 HB2 SER 665 HB2 SER 665 22.750 -2.473 1.587 71 HB3 SER 665 HB1 SER 665 23.926 -3.040 0.405 72 HG SER 665 HG SER 665 22.837 -4.507 2.583 73 H TRP 666 HN TRP 666 24.757 -0.227 2.302 74 HA TRP 666 HA TRP 666 26.664 0.176 0.122 75 HB2 TRP 666 HB2 TRP 666 25.005 1.754 2.011 76 HB3 TRP 666 HB1 TRP 666 26.395 2.566 1.320 77 HD1 TRP 666 HD1 TRP 666 23.089 0.898 0.296 78 HE1 TRP 666 HE1 TRP 666 22.547 1.650 -2.119 79 HE3 TRP 666 HE3 TRP 666 27.353 3.370 -0.756 80 HZ2 TRP 666 HZ2 TRP 666 23.812 3.137 -4.239 81 HZ3 TRP 666 HZ3 TRP 666 27.705 4.458 -2.978 82 HH2 TRP 666 HH2 TRP 666 25.934 4.343 -4.715 83 H LYS 667 HN LYS 667 26.779 0.208 3.658 84 HA LYS 667 HA LYS 667 29.159 1.542 4.194 85 HB2 LYS 667 HB2 LYS 667 27.931 -0.978 5.336 86 HB3 LYS 667 HB1 LYS 667 29.371 -0.254 6.053 87 HG2 LYS 667 HG2 LYS 667 27.099 1.584 5.491 88 HG3 LYS 667 HG1 LYS 667 26.878 0.435 6.811 89 HD2 LYS 667 HD2 LYS 667 28.978 1.197 7.844 90 HD3 LYS 667 HD1 LYS 667 29.223 2.335 6.519 91 HE2 LYS 667 HE2 LYS 667 27.676 3.814 7.339 92 HE3 LYS 667 HE1 LYS 667 26.587 2.519 7.874 93 HZ1 LYS 667 HZ1 LYS 667 27.589 3.580 9.786 94 HZ2 LYS 667 HZ2 LYS 667 29.147 3.307 9.165 95 HZ3 LYS 667 HZ3 LYS 667 28.179 1.996 9.644 96 H ASN 668 HN ASN 668 28.793 -1.607 2.661 97 HA ASN 668 HA ASN 668 31.571 -2.419 2.874 98 HB2 ASN 668 HB2 ASN 668 30.759 -4.281 1.815 99 HB3 ASN 668 HB1 ASN 668 29.185 -3.564 2.143 100 HD21 ASN 668 HD21 ASN 668 27.891 -3.162 0.330 101 HD22 ASN 668 HD22 ASN 668 28.454 -3.124 -1.270 102 H LEU 669 HN LEU 669 29.723 -0.614 0.409 103 HA LEU 669 HA LEU 669 31.943 -0.385 -1.460 104 HB2 LEU 669 HB2 LEU 669 29.282 -0.081 -1.590 105 HB3 LEU 669 HB1 LEU 669 29.728 1.605 -1.325 106 HG LEU 669 HG LEU 669 31.401 0.187 -3.305 107 HD11 LEU 669 HD11 LEU 669 29.749 0.190 -5.069 108 HD12 LEU 669 HD12 LEU 669 28.540 0.900 -3.999 109 HD13 LEU 669 HD13 LEU 669 29.101 -0.749 -3.724 110 HD21 LEU 669 HD21 LEU 669 31.720 2.534 -3.042 111 HD22 LEU 669 HD22 LEU 669 29.985 2.850 -3.075 112 HD23 LEU 669 HD23 LEU 669 30.820 2.360 -4.549 113 H TRP 670 HN TRP 670 30.628 1.730 1.140 114 HA TRP 670 HA TRP 670 32.326 3.957 0.543 115 HB2 TRP 670 HB2 TRP 670 30.850 2.951 2.981 116 HB3 TRP 670 HB1 TRP 670 31.807 4.424 3.062 117 HD1 TRP 670 HD1 TRP 670 28.833 4.708 3.567 118 HE1 TRP 670 HE1 TRP 670 27.289 6.004 1.963 119 HE3 TRP 670 HE3 TRP 670 31.600 4.478 -0.736 120 HZ2 TRP 670 HZ2 TRP 670 27.229 6.835 -0.764 121 HZ3 TRP 670 HZ3 TRP 670 30.770 5.534 -2.811 122 HH2 TRP 670 HH2 TRP 670 28.589 6.709 -2.833 123 H ASN 671 HN ASN 671 32.831 1.018 2.421 124 HA ASN 671 HA ASN 671 35.359 1.940 3.565 125 HB2 ASN 671 HB2 ASN 671 33.472 -0.012 4.079 126 HB3 ASN 671 HB1 ASN 671 34.806 -0.950 3.408 127 HD21 ASN 671 HD21 ASN 671 34.398 1.796 5.731 128 HD22 ASN 671 HD22 ASN 671 35.531 1.203 6.848 129 H TRP 672 HN TRP 672 34.310 0.276 0.682 130 HA TRP 672 HA TRP 672 36.530 -1.168 -0.182 131 HB2 TRP 672 HB2 TRP 672 34.218 0.201 -1.296 132 HB3 TRP 672 HB1 TRP 672 35.566 0.226 -2.424 133 HD1 TRP 672 HD1 TRP 672 34.642 -2.602 0.039 134 HE1 TRP 672 HE1 TRP 672 34.237 -4.744 -1.339 135 HE3 TRP 672 HE3 TRP 672 35.126 -0.708 -4.658 136 HZ2 TRP 672 HZ2 TRP 672 34.138 -5.547 -4.091 137 HZ3 TRP 672 HZ3 TRP 672 34.875 -2.173 -6.649 138 HH2 TRP 672 HH2 TRP 672 34.380 -4.589 -6.369 139 H PHE 673 HN PHE 673 35.910 2.251 -1.068 140 HA PHE 673 HA PHE 673 38.641 2.638 -2.021 141 HB2 PHE 673 HB2 PHE 673 36.285 4.471 -1.491 142 HB3 PHE 673 HB1 PHE 673 37.779 4.997 -2.266 143 HD1 PHE 673 HD2 PHE 673 38.496 3.939 -4.435 144 HD2 PHE 673 HD1 PHE 673 34.636 3.225 -2.690 145 HE1 PHE 673 HE2 PHE 673 37.671 3.083 -6.610 146 HE2 PHE 673 HE1 PHE 673 33.810 2.369 -4.866 147 HZ PHE 673 HZ PHE 673 35.328 2.298 -6.827 148 H ASN 674 HN ASN 674 39.520 1.907 0.214 149 HA ASN 674 HA ASN 674 39.351 3.959 2.341 150 HB2 ASN 674 HB2 ASN 674 40.082 1.135 2.015 151 HB3 ASN 674 HB1 ASN 674 41.189 2.008 3.075 152 HD21 ASN 674 HD21 ASN 674 39.470 3.838 4.327 153 HD22 ASN 674 HD22 ASN 674 38.298 3.001 5.225 154 H ILE 675 HN ILE 675 40.545 5.750 1.533 155 HA ILE 675 HA ILE 675 42.945 5.741 0.095 156 HB ILE 675 HB ILE 675 43.204 8.002 1.183 157 HG12 ILE 675 HG12 ILE 675 40.625 8.031 2.430 158 HG13 ILE 675 HG11 ILE 675 41.590 6.757 3.160 159 HG21 ILE 675 HG21 ILE 675 40.383 8.093 0.543 160 HG22 ILE 675 HG22 ILE 675 41.239 7.037 -0.579 161 HG23 ILE 675 HG23 ILE 675 41.751 8.712 -0.380 162 HD11 ILE 675 HD11 ILE 675 43.142 8.218 4.009 163 HD12 ILE 675 HD12 ILE 675 41.748 9.297 3.986 164 HD13 ILE 675 HD13 ILE 675 42.935 9.364 2.686 165 H THR 676 HN THR 676 42.502 5.417 3.606 166 HA THR 676 HA THR 676 45.233 5.637 4.360 167 HB THR 676 HB THR 676 43.330 5.534 5.928 168 HG1 THR 676 HG1 THR 676 45.016 3.279 6.252 169 HG21 THR 676 HG21 THR 676 43.062 2.723 4.843 170 HG22 THR 676 HG22 THR 676 41.849 4.003 4.837 171 HG23 THR 676 HG23 THR 676 42.315 3.237 6.356 172 H ASN 677 HN ASN 677 43.476 3.132 2.678 173 HA ASN 677 HA ASN 677 45.391 0.982 3.087 174 HB2 ASN 677 HB2 ASN 677 42.818 1.166 2.281 175 HB3 ASN 677 HB1 ASN 677 43.604 1.089 0.703 176 HD21 ASN 677 HD21 ASN 677 43.163 -0.691 3.761 177 HD22 ASN 677 HD22 ASN 677 43.659 -2.194 3.149 178 H TRP 678 HN TRP 678 44.658 3.149 0.294 179 HA TRP 678 HA TRP 678 47.124 2.222 -1.016 180 HB2 TRP 678 HB2 TRP 678 46.432 3.892 -2.771 181 HB3 TRP 678 HB1 TRP 678 45.393 2.526 -2.516 182 HD1 TRP 678 HD1 TRP 678 43.082 3.064 -1.123 183 HE1 TRP 678 HE1 TRP 678 41.620 5.195 -1.317 184 HE3 TRP 678 HE3 TRP 678 46.504 6.246 -3.062 185 HZ2 TRP 678 HZ2 TRP 678 41.911 7.928 -2.200 186 HZ3 TRP 678 HZ3 TRP 678 45.922 8.607 -3.583 187 HH2 TRP 678 HH2 TRP 678 43.627 9.448 -3.151 188 H LEU 679 HN LEU 679 46.249 4.737 1.085 189 HA LEU 679 HA LEU 679 48.290 6.676 0.337 190 HB2 LEU 679 HB2 LEU 679 46.557 6.113 2.745 191 HB3 LEU 679 HB1 LEU 679 47.777 7.383 2.789 192 HG LEU 679 HG LEU 679 45.591 7.182 0.703 193 HD11 LEU 679 HD11 LEU 679 44.691 9.186 1.913 194 HD12 LEU 679 HD12 LEU 679 45.879 8.893 3.184 195 HD13 LEU 679 HD13 LEU 679 44.621 7.701 2.861 196 HD21 LEU 679 HD21 LEU 679 47.195 8.455 -0.340 197 HD22 LEU 679 HD22 LEU 679 47.941 8.945 1.180 198 HD23 LEU 679 HD23 LEU 679 46.454 9.722 0.637 199 H TRP 680 HN TRP 680 48.248 3.738 2.239 200 HA TRP 680 HA TRP 680 50.375 4.040 4.008 201 HB2 TRP 680 HB2 TRP 680 50.319 1.708 4.074 202 HB3 TRP 680 HB1 TRP 680 48.753 2.072 3.361 203 HD1 TRP 680 HD1 TRP 680 48.956 2.268 0.486 204 HE1 TRP 680 HE1 TRP 680 50.058 0.529 -1.065 205 HE3 TRP 680 HE3 TRP 680 51.970 -0.123 3.842 206 HZ2 TRP 680 HZ2 TRP 680 51.966 -1.595 -0.904 207 HZ3 TRP 680 HZ3 TRP 680 53.419 -1.998 3.118 208 HH2 TRP 680 HH2 TRP 680 53.421 -2.736 0.751 209 H TYR 681 HN TYR 681 50.498 3.850 0.515 210 HA TYR 681 HA TYR 681 53.439 3.427 0.510 211 HB2 TYR 681 HB2 TYR 681 52.712 2.169 -1.230 212 HB3 TYR 681 HB1 TYR 681 51.131 2.938 -1.213 213 HD1 TYR 681 HD2 TYR 681 54.679 3.786 -2.137 214 HD2 TYR 681 HD1 TYR 681 50.507 4.124 -3.102 215 HE1 TYR 681 HE2 TYR 681 55.255 5.024 -4.206 216 HE2 TYR 681 HE1 TYR 681 51.082 5.358 -5.171 217 HH TYR 681 HH TYR 681 53.196 5.459 -6.724 218 H ILE 682 HN ILE 682 51.088 6.024 0.073 219 HA ILE 682 HA ILE 682 53.379 7.773 -0.665 220 HB ILE 682 HB ILE 682 51.217 9.117 -1.603 221 HG12 ILE 682 HG12 ILE 682 50.560 6.234 -2.203 222 HG13 ILE 682 HG11 ILE 682 49.791 7.112 -0.884 223 HG21 ILE 682 HG21 ILE 682 51.754 7.847 -3.823 224 HG22 ILE 682 HG22 ILE 682 53.003 7.059 -2.861 225 HG23 ILE 682 HG23 ILE 682 53.020 8.810 -3.061 226 HD11 ILE 682 HD11 ILE 682 48.630 7.100 -3.221 227 HD12 ILE 682 HD12 ILE 682 49.857 8.294 -3.648 228 HD13 ILE 682 HD13 ILE 682 48.731 8.621 -2.331 229 H LYS 683 HN LYS 683 50.108 8.739 0.149 230 HA LYS 683 HA LYS 683 51.210 10.359 2.398 231 HB2 LYS 683 HB2 LYS 683 49.064 10.566 0.388 232 HB3 LYS 683 HB1 LYS 683 48.578 11.094 1.998 233 HG2 LYS 683 HG2 LYS 683 49.485 13.027 0.919 234 HG3 LYS 683 HG1 LYS 683 50.719 12.477 2.053 235 HD2 LYS 683 HD2 LYS 683 51.482 11.047 -0.080 236 HD3 LYS 683 HD1 LYS 683 50.707 12.386 -0.928 237 HE2 LYS 683 HE2 LYS 683 52.777 12.791 1.256 238 HE3 LYS 683 HE1 LYS 683 53.171 12.759 -0.474 239 HZ1 LYS 683 HZ1 LYS 683 52.708 15.017 0.209 240 HZ2 LYS 683 HZ2 LYS 683 51.203 14.553 0.847 241 HZ3 LYS 683 HZ3 LYS 683 51.478 14.477 -0.827 Start of MODEL 5 1 H1 GLU 657 HT1 GLU 657 15.297 -7.146 2.219 2 H2 GLU 657 HT2 GLU 657 13.757 -6.962 2.912 3 H3 GLU 657 HT3 GLU 657 14.519 -8.480 2.920 4 HA GLU 657 HA GLU 657 14.684 -7.491 5.113 5 HB2 GLU 657 HB2 GLU 657 17.040 -7.872 3.292 6 HB3 GLU 657 HB1 GLU 657 17.328 -7.368 4.957 7 HG2 GLU 657 HG2 GLU 657 15.639 -9.336 5.502 8 HG3 GLU 657 HG1 GLU 657 16.168 -9.930 3.928 9 H LYS 658 HN LYS 658 16.823 -5.616 2.927 10 HA LYS 658 HA LYS 658 15.963 -3.129 4.373 11 HB2 LYS 658 HB2 LYS 658 18.572 -4.426 4.013 12 HB3 LYS 658 HB1 LYS 658 18.582 -2.728 3.541 13 HG2 LYS 658 HG2 LYS 658 18.839 -2.278 5.744 14 HG3 LYS 658 HG1 LYS 658 17.134 -2.698 5.902 15 HD2 LYS 658 HD2 LYS 658 19.035 -4.978 5.876 16 HD3 LYS 658 HD1 LYS 658 19.093 -3.940 7.300 17 HE2 LYS 658 HE2 LYS 658 16.385 -4.230 6.980 18 HE3 LYS 658 HE1 LYS 658 16.978 -5.814 6.440 19 HZ1 LYS 658 HZ1 LYS 658 17.744 -4.435 8.959 20 HZ2 LYS 658 HZ2 LYS 658 18.364 -5.924 8.427 21 HZ3 LYS 658 HZ3 LYS 658 16.722 -5.783 8.843 22 H ASP 659 HN ASP 659 16.189 -1.160 3.052 23 HA ASP 659 HA ASP 659 15.220 -1.422 0.376 24 HB2 ASP 659 HB2 ASP 659 15.480 0.545 2.265 25 HB3 ASP 659 HB1 ASP 659 16.711 1.031 1.097 26 H LEU 660 HN LEU 660 16.859 0.405 -1.072 27 HA LEU 660 HA LEU 660 19.078 -1.393 -1.832 28 HB2 LEU 660 HB2 LEU 660 18.048 1.187 -3.042 29 HB3 LEU 660 HB1 LEU 660 19.150 0.049 -3.816 30 HG LEU 660 HG LEU 660 17.053 -1.585 -3.087 31 HD11 LEU 660 HD11 LEU 660 15.064 -0.495 -3.087 32 HD12 LEU 660 HD12 LEU 660 15.540 0.553 -4.424 33 HD13 LEU 660 HD13 LEU 660 16.017 0.955 -2.775 34 HD21 LEU 660 HD21 LEU 660 18.297 -1.453 -5.267 35 HD22 LEU 660 HD22 LEU 660 17.300 -0.064 -5.700 36 HD23 LEU 660 HD23 LEU 660 16.555 -1.645 -5.467 37 H LEU 661 HN LEU 661 18.564 1.900 -0.707 38 HA LEU 661 HA LEU 661 21.450 2.441 -0.620 39 HB2 LEU 661 HB2 LEU 661 18.899 3.946 -0.197 40 HB3 LEU 661 HB1 LEU 661 20.427 4.635 0.361 41 HG LEU 661 HG LEU 661 20.951 3.598 -2.200 42 HD11 LEU 661 HD11 LEU 661 19.278 4.402 -3.628 43 HD12 LEU 661 HD12 LEU 661 18.559 5.408 -2.370 44 HD13 LEU 661 HD13 LEU 661 18.374 3.654 -2.311 45 HD21 LEU 661 HD21 LEU 661 20.347 6.491 -1.549 46 HD22 LEU 661 HD22 LEU 661 21.513 5.863 -2.714 47 HD23 LEU 661 HD23 LEU 661 21.811 5.687 -0.984 48 H ALA 662 HN ALA 662 20.008 0.452 1.253 49 HA ALA 662 HA ALA 662 20.048 1.476 3.908 50 HB1 ALA 662 HB1 ALA 662 20.934 -1.310 3.513 51 HB2 ALA 662 HB2 ALA 662 19.473 -0.911 2.611 52 HB3 ALA 662 HB3 ALA 662 19.511 -0.704 4.361 53 H LEU 663 HN LEU 663 21.832 2.443 4.705 54 HA LEU 663 HA LEU 663 24.442 2.359 3.690 55 HB2 LEU 663 HB2 LEU 663 23.408 2.775 6.516 56 HB3 LEU 663 HB1 LEU 663 25.055 3.161 6.016 57 HG LEU 663 HG LEU 663 22.730 4.254 4.456 58 HD11 LEU 663 HD11 LEU 663 22.217 4.863 6.757 59 HD12 LEU 663 HD12 LEU 663 22.846 6.284 5.921 60 HD13 LEU 663 HD13 LEU 663 23.881 5.381 7.027 61 HD21 LEU 663 HD21 LEU 663 25.353 4.354 3.969 62 HD22 LEU 663 HD22 LEU 663 25.267 5.709 5.094 63 HD23 LEU 663 HD23 LEU 663 24.306 5.728 3.615 64 H ASP 664 HN ASP 664 22.804 -0.003 5.653 65 HA ASP 664 HA ASP 664 25.101 -1.393 6.704 66 HB2 ASP 664 HB2 ASP 664 22.281 -2.250 5.953 67 HB3 ASP 664 HB1 ASP 664 23.406 -3.269 6.852 68 H SER 665 HN SER 665 23.480 -1.285 3.605 69 HA SER 665 HA SER 665 25.008 -3.573 2.518 70 HB2 SER 665 HB2 SER 665 22.480 -2.747 2.156 71 HB3 SER 665 HB1 SER 665 23.252 -1.815 0.876 72 HG SER 665 HG SER 665 22.668 -3.819 0.063 73 H TRP 666 HN TRP 666 24.791 -0.090 2.333 74 HA TRP 666 HA TRP 666 26.692 0.248 0.131 75 HB2 TRP 666 HB2 TRP 666 25.075 1.876 2.009 76 HB3 TRP 666 HB1 TRP 666 26.482 2.650 1.308 77 HD1 TRP 666 HD1 TRP 666 23.035 1.323 0.404 78 HE1 TRP 666 HE1 TRP 666 22.568 1.912 -2.076 79 HE3 TRP 666 HE3 TRP 666 27.590 3.018 -0.885 80 HZ2 TRP 666 HZ2 TRP 666 24.008 2.994 -4.333 81 HZ3 TRP 666 HZ3 TRP 666 28.075 3.831 -3.202 82 HH2 TRP 666 HH2 TRP 666 26.280 3.822 -4.920 83 H LYS 667 HN LYS 667 26.828 0.237 3.668 84 HA LYS 667 HA LYS 667 29.244 1.514 4.202 85 HB2 LYS 667 HB2 LYS 667 27.769 -0.839 5.326 86 HB3 LYS 667 HB1 LYS 667 29.396 -0.533 5.936 87 HG2 LYS 667 HG2 LYS 667 27.779 1.906 5.751 88 HG3 LYS 667 HG1 LYS 667 27.081 0.703 6.836 89 HD2 LYS 667 HD2 LYS 667 29.957 1.659 6.944 90 HD3 LYS 667 HD1 LYS 667 28.669 2.227 8.007 91 HE2 LYS 667 HE2 LYS 667 28.346 -0.396 8.422 92 HE3 LYS 667 HE1 LYS 667 30.064 -0.419 7.976 93 HZ1 LYS 667 HZ1 LYS 667 28.780 1.251 10.070 94 HZ2 LYS 667 HZ2 LYS 667 30.378 1.469 9.537 95 HZ3 LYS 667 HZ3 LYS 667 29.925 0.023 10.305 96 H ASN 668 HN ASN 668 28.781 -1.636 2.682 97 HA ASN 668 HA ASN 668 31.538 -2.514 2.844 98 HB2 ASN 668 HB2 ASN 668 30.665 -4.345 1.770 99 HB3 ASN 668 HB1 ASN 668 29.117 -3.593 2.143 100 HD21 ASN 668 HD21 ASN 668 28.173 -2.169 0.377 101 HD22 ASN 668 HD22 ASN 668 28.541 -2.529 -1.240 102 H LEU 669 HN LEU 669 29.715 -0.626 0.436 103 HA LEU 669 HA LEU 669 31.934 -0.429 -1.456 104 HB2 LEU 669 HB2 LEU 669 29.262 -0.131 -1.569 105 HB3 LEU 669 HB1 LEU 669 29.724 1.559 -1.353 106 HG LEU 669 HG LEU 669 31.395 0.108 -3.298 107 HD11 LEU 669 HD11 LEU 669 29.235 -0.972 -3.771 108 HD12 LEU 669 HD12 LEU 669 29.674 0.133 -5.073 109 HD13 LEU 669 HD13 LEU 669 28.461 0.608 -3.883 110 HD21 LEU 669 HD21 LEU 669 29.814 2.699 -3.333 111 HD22 LEU 669 HD22 LEU 669 30.925 2.186 -4.603 112 HD23 LEU 669 HD23 LEU 669 31.535 2.527 -2.984 113 H TRP 670 HN TRP 670 30.599 1.688 1.134 114 HA TRP 670 HA TRP 670 32.275 3.927 0.515 115 HB2 TRP 670 HB2 TRP 670 30.878 2.955 3.025 116 HB3 TRP 670 HB1 TRP 670 31.709 4.503 2.958 117 HD1 TRP 670 HD1 TRP 670 28.665 4.445 3.499 118 HE1 TRP 670 HE1 TRP 670 27.006 5.521 1.850 119 HE3 TRP 670 HE3 TRP 670 31.495 4.431 -0.771 120 HZ2 TRP 670 HZ2 TRP 670 26.887 6.277 -0.896 121 HZ3 TRP 670 HZ3 TRP 670 30.576 5.340 -2.878 122 HH2 TRP 670 HH2 TRP 670 28.277 6.262 -2.949 123 H ASN 671 HN ASN 671 32.833 1.002 2.412 124 HA ASN 671 HA ASN 671 35.332 2.000 3.558 125 HB2 ASN 671 HB2 ASN 671 34.262 0.431 4.901 126 HB3 ASN 671 HB1 ASN 671 33.685 -0.504 3.525 127 HD21 ASN 671 HD21 ASN 671 35.361 -1.840 2.361 128 HD22 ASN 671 HD22 ASN 671 36.697 -2.419 3.232 129 H TRP 672 HN TRP 672 34.319 0.289 0.689 130 HA TRP 672 HA TRP 672 36.563 -1.131 -0.153 131 HB2 TRP 672 HB2 TRP 672 34.245 0.212 -1.293 132 HB3 TRP 672 HB1 TRP 672 35.602 0.228 -2.412 133 HD1 TRP 672 HD1 TRP 672 34.705 -2.579 0.081 134 HE1 TRP 672 HE1 TRP 672 34.306 -4.738 -1.273 135 HE3 TRP 672 HE3 TRP 672 35.137 -0.726 -4.636 136 HZ2 TRP 672 HZ2 TRP 672 34.194 -5.568 -4.017 137 HZ3 TRP 672 HZ3 TRP 672 34.882 -2.212 -6.612 138 HH2 TRP 672 HH2 TRP 672 34.412 -4.629 -6.305 139 H PHE 673 HN PHE 673 35.905 2.273 -1.063 140 HA PHE 673 HA PHE 673 38.588 2.721 -2.070 141 HB2 PHE 673 HB2 PHE 673 36.381 4.640 -1.249 142 HB3 PHE 673 HB1 PHE 673 37.757 5.037 -2.276 143 HD1 PHE 673 HD2 PHE 673 38.099 3.361 -4.337 144 HD2 PHE 673 HD1 PHE 673 34.386 4.041 -2.288 145 HE1 PHE 673 HE2 PHE 673 36.855 2.541 -6.320 146 HE2 PHE 673 HE1 PHE 673 33.142 3.221 -4.272 147 HZ PHE 673 HZ PHE 673 34.377 2.471 -6.287 148 H ASN 674 HN ASN 674 39.794 1.993 -0.093 149 HA ASN 674 HA ASN 674 39.620 3.701 2.308 150 HB2 ASN 674 HB2 ASN 674 41.124 1.251 1.412 151 HB3 ASN 674 HB1 ASN 674 41.624 2.105 2.871 152 HD21 ASN 674 HD21 ASN 674 39.337 2.804 4.151 153 HD22 ASN 674 HD22 ASN 674 38.347 1.459 4.454 154 H ILE 675 HN ILE 675 40.242 5.501 0.478 155 HA ILE 675 HA ILE 675 42.957 5.742 -0.386 156 HB ILE 675 HB ILE 675 40.895 7.867 0.301 157 HG12 ILE 675 HG12 ILE 675 41.435 6.532 -2.365 158 HG13 ILE 675 HG11 ILE 675 40.136 6.038 -1.283 159 HG21 ILE 675 HG21 ILE 675 43.158 7.961 -1.711 160 HG22 ILE 675 HG22 ILE 675 43.279 8.629 -0.083 161 HG23 ILE 675 HG23 ILE 675 42.104 9.289 -1.222 162 HD11 ILE 675 HD11 ILE 675 39.252 8.369 -1.336 163 HD12 ILE 675 HD12 ILE 675 39.246 7.603 -2.924 164 HD13 ILE 675 HD13 ILE 675 40.495 8.780 -2.518 165 H THR 676 HN THR 676 41.329 6.725 2.628 166 HA THR 676 HA THR 676 43.249 8.420 3.771 167 HB THR 676 HB THR 676 41.912 6.254 5.379 168 HG1 THR 676 HG1 THR 676 40.024 6.818 4.689 169 HG21 THR 676 HG21 THR 676 43.165 8.019 6.536 170 HG22 THR 676 HG22 THR 676 41.439 8.173 6.867 171 HG23 THR 676 HG23 THR 676 42.213 9.251 5.706 172 H ASN 677 HN ASN 677 43.425 4.951 3.280 173 HA ASN 677 HA ASN 677 45.769 4.603 5.034 174 HB2 ASN 677 HB2 ASN 677 44.080 2.950 3.174 175 HB3 ASN 677 HB1 ASN 677 45.653 2.330 3.679 176 HD21 ASN 677 HD21 ASN 677 42.747 1.561 4.456 177 HD22 ASN 677 HD22 ASN 677 42.778 1.556 6.153 178 H TRP 678 HN TRP 678 45.066 5.347 1.703 179 HA TRP 678 HA TRP 678 47.639 4.639 0.562 180 HB2 TRP 678 HB2 TRP 678 45.068 5.817 -0.175 181 HB3 TRP 678 HB1 TRP 678 46.403 6.623 -0.980 182 HD1 TRP 678 HD1 TRP 678 44.979 3.097 -0.458 183 HE1 TRP 678 HE1 TRP 678 45.662 1.668 -2.510 184 HE3 TRP 678 HE3 TRP 678 47.876 6.464 -2.855 185 HZ2 TRP 678 HZ2 TRP 678 47.269 1.964 -4.889 186 HZ3 TRP 678 HZ3 TRP 678 48.990 5.905 -5.016 187 HH2 TRP 678 HH2 TRP 678 48.686 3.658 -6.031 188 H LEU 679 HN LEU 679 46.363 7.396 2.262 189 HA LEU 679 HA LEU 679 48.251 9.336 1.223 190 HB2 LEU 679 HB2 LEU 679 46.611 9.399 3.763 191 HB3 LEU 679 HB1 LEU 679 47.190 10.775 2.832 192 HG LEU 679 HG LEU 679 45.059 8.780 2.081 193 HD11 LEU 679 HD11 LEU 679 43.861 10.968 1.584 194 HD12 LEU 679 HD12 LEU 679 45.210 11.771 2.387 195 HD13 LEU 679 HD13 LEU 679 44.200 10.636 3.281 196 HD21 LEU 679 HD21 LEU 679 46.472 8.983 0.110 197 HD22 LEU 679 HD22 LEU 679 46.508 10.739 0.275 198 HD23 LEU 679 HD23 LEU 679 45.004 9.924 -0.151 199 H TRP 680 HN TRP 680 48.426 6.951 3.716 200 HA TRP 680 HA TRP 680 50.083 7.958 5.678 201 HB2 TRP 680 HB2 TRP 680 49.543 5.401 4.389 202 HB3 TRP 680 HB1 TRP 680 51.188 5.469 5.018 203 HD1 TRP 680 HD1 TRP 680 47.609 5.173 6.080 204 HE1 TRP 680 HE1 TRP 680 47.471 5.016 8.649 205 HE3 TRP 680 HE3 TRP 680 52.424 6.367 7.300 206 HZ2 TRP 680 HZ2 TRP 680 49.175 5.352 10.922 207 HZ3 TRP 680 HZ3 TRP 680 53.138 6.441 9.671 208 HH2 TRP 680 HH2 TRP 680 51.521 5.936 11.482 209 H TYR 681 HN TYR 681 50.921 7.318 2.328 210 HA TYR 681 HA TYR 681 53.823 7.507 2.636 211 HB2 TYR 681 HB2 TYR 681 52.090 7.812 0.171 212 HB3 TYR 681 HB1 TYR 681 53.775 7.299 0.236 213 HD1 TYR 681 HD2 TYR 681 53.995 5.319 2.242 214 HD2 TYR 681 HD1 TYR 681 50.676 6.054 -0.382 215 HE1 TYR 681 HE2 TYR 681 53.261 2.965 2.511 216 HE2 TYR 681 HE1 TYR 681 49.941 3.701 -0.115 217 HH TYR 681 HH TYR 681 50.288 1.876 1.797 218 H ILE 682 HN ILE 682 51.226 9.813 1.708 219 HA ILE 682 HA ILE 682 53.358 11.894 1.569 220 HB ILE 682 HB ILE 682 51.499 12.979 0.084 221 HG12 ILE 682 HG12 ILE 682 50.197 11.238 -1.144 222 HG13 ILE 682 HG11 ILE 682 50.719 10.054 0.040 223 HG21 ILE 682 HG21 ILE 682 52.616 12.159 -1.799 224 HG22 ILE 682 HG22 ILE 682 52.801 10.551 -1.097 225 HG23 ILE 682 HG23 ILE 682 53.791 11.889 -0.511 226 HD11 ILE 682 HD11 ILE 682 48.437 11.129 0.457 227 HD12 ILE 682 HD12 ILE 682 49.316 12.614 0.823 228 HD13 ILE 682 HD13 ILE 682 49.570 11.174 1.807 229 H LYS 683 HN LYS 683 50.995 10.876 3.583 230 HA LYS 683 HA LYS 683 49.844 13.532 4.219 231 HB2 LYS 683 HB2 LYS 683 48.608 11.288 4.144 232 HB3 LYS 683 HB1 LYS 683 49.465 10.880 5.632 233 HG2 LYS 683 HG2 LYS 683 48.482 12.737 6.804 234 HG3 LYS 683 HG1 LYS 683 47.808 13.394 5.312 235 HD2 LYS 683 HD2 LYS 683 46.338 11.455 5.079 236 HD3 LYS 683 HD1 LYS 683 47.054 10.711 6.509 237 HE2 LYS 683 HE2 LYS 683 46.188 12.463 7.942 238 HE3 LYS 683 HE1 LYS 683 45.638 13.400 6.539 239 HZ1 LYS 683 HZ1 LYS 683 43.812 12.104 7.419 240 HZ2 LYS 683 HZ2 LYS 683 44.722 10.674 7.299 241 HZ3 LYS 683 HZ3 LYS 683 44.249 11.505 5.894 Start of MODEL 6 1 H1 GLU 657 HT1 GLU 657 13.417 -7.936 0.423 2 H2 GLU 657 HT2 GLU 657 12.587 -6.572 -0.158 3 H3 GLU 657 HT3 GLU 657 11.748 -7.787 0.682 4 HA GLU 657 HA GLU 657 12.205 -5.752 2.038 5 HB2 GLU 657 HB2 GLU 657 11.940 -8.313 2.670 6 HB3 GLU 657 HB1 GLU 657 13.631 -8.149 3.147 7 HG2 GLU 657 HG2 GLU 657 11.773 -6.011 4.061 8 HG3 GLU 657 HG1 GLU 657 11.602 -7.590 4.827 9 H LYS 658 HN LYS 658 14.227 -5.394 0.052 10 HA LYS 658 HA LYS 658 16.474 -4.544 1.773 11 HB2 LYS 658 HB2 LYS 658 16.458 -6.897 -0.006 12 HB3 LYS 658 HB1 LYS 658 17.831 -5.818 -0.257 13 HG2 LYS 658 HG2 LYS 658 18.257 -5.879 2.215 14 HG3 LYS 658 HG1 LYS 658 16.982 -7.090 2.361 15 HD2 LYS 658 HD2 LYS 658 19.106 -8.248 2.220 16 HD3 LYS 658 HD1 LYS 658 18.236 -8.511 0.708 17 HE2 LYS 658 HE2 LYS 658 19.558 -6.818 -0.426 18 HE3 LYS 658 HE1 LYS 658 20.333 -6.346 1.100 19 HZ1 LYS 658 HZ1 LYS 658 21.676 -7.943 -0.194 20 HZ2 LYS 658 HZ2 LYS 658 20.421 -9.081 -0.063 21 HZ3 LYS 658 HZ3 LYS 658 21.236 -8.546 1.328 22 H ASP 659 HN ASP 659 15.867 -2.408 1.050 23 HA ASP 659 HA ASP 659 15.479 -1.627 -1.670 24 HB2 ASP 659 HB2 ASP 659 16.197 -0.334 0.935 25 HB3 ASP 659 HB1 ASP 659 16.347 0.625 -0.538 26 H LEU 660 HN LEU 660 17.092 -0.040 -2.778 27 HA LEU 660 HA LEU 660 19.668 -1.418 -3.056 28 HB2 LEU 660 HB2 LEU 660 18.477 1.040 -4.373 29 HB3 LEU 660 HB1 LEU 660 19.927 0.197 -4.921 30 HG LEU 660 HG LEU 660 17.267 -1.207 -4.618 31 HD11 LEU 660 HD11 LEU 660 16.822 0.491 -6.235 32 HD12 LEU 660 HD12 LEU 660 17.198 -0.959 -7.166 33 HD13 LEU 660 HD13 LEU 660 18.412 0.306 -6.974 34 HD21 LEU 660 HD21 LEU 660 19.020 -2.784 -4.755 35 HD22 LEU 660 HD22 LEU 660 19.932 -1.804 -5.903 36 HD23 LEU 660 HD23 LEU 660 18.469 -2.641 -6.423 37 H LEU 661 HN LEU 661 18.437 1.543 -1.675 38 HA LEU 661 HA LEU 661 21.103 2.689 -1.209 39 HB2 LEU 661 HB2 LEU 661 18.236 3.413 -0.706 40 HB3 LEU 661 HB1 LEU 661 19.534 4.351 0.025 41 HG LEU 661 HG LEU 661 18.487 4.790 -2.463 42 HD11 LEU 661 HD11 LEU 661 20.299 6.354 -2.735 43 HD12 LEU 661 HD12 LEU 661 21.342 5.400 -1.680 44 HD13 LEU 661 HD13 LEU 661 19.948 6.249 -1.009 45 HD21 LEU 661 HD21 LEU 661 21.107 3.324 -2.885 46 HD22 LEU 661 HD22 LEU 661 20.195 4.188 -4.119 47 HD23 LEU 661 HD23 LEU 661 19.520 2.737 -3.384 48 H ALA 662 HN ALA 662 20.100 0.092 0.143 49 HA ALA 662 HA ALA 662 19.653 0.538 2.912 50 HB1 ALA 662 HB1 ALA 662 20.380 -1.825 3.084 51 HB2 ALA 662 HB2 ALA 662 21.059 -1.731 1.459 52 HB3 ALA 662 HB3 ALA 662 19.316 -1.596 1.696 53 H LEU 663 HN LEU 663 21.045 1.964 3.895 54 HA LEU 663 HA LEU 663 23.786 2.386 3.412 55 HB2 LEU 663 HB2 LEU 663 22.068 2.596 5.896 56 HB3 LEU 663 HB1 LEU 663 23.728 3.191 5.842 57 HG LEU 663 HG LEU 663 21.793 4.019 3.699 58 HD11 LEU 663 HD11 LEU 663 22.109 5.503 6.317 59 HD12 LEU 663 HD12 LEU 663 20.774 4.390 6.014 60 HD13 LEU 663 HD13 LEU 663 20.963 5.831 5.017 61 HD21 LEU 663 HD21 LEU 663 23.995 4.739 3.263 62 HD22 LEU 663 HD22 LEU 663 24.322 5.067 4.964 63 HD23 LEU 663 HD23 LEU 663 23.267 6.142 4.046 64 H ASP 664 HN ASP 664 22.214 -0.227 5.089 65 HA ASP 664 HA ASP 664 24.508 -1.183 6.580 66 HB2 ASP 664 HB2 ASP 664 21.995 -2.539 5.536 67 HB3 ASP 664 HB1 ASP 664 23.083 -3.232 6.741 68 H SER 665 HN SER 665 23.303 -1.583 3.302 69 HA SER 665 HA SER 665 25.288 -3.692 2.678 70 HB2 SER 665 HB2 SER 665 22.739 -3.322 1.923 71 HB3 SER 665 HB1 SER 665 23.526 -2.404 0.642 72 HG SER 665 HG SER 665 23.245 -4.663 0.168 73 H TRP 666 HN TRP 666 24.759 -0.279 2.277 74 HA TRP 666 HA TRP 666 26.674 0.182 0.121 75 HB2 TRP 666 HB2 TRP 666 24.984 1.716 2.022 76 HB3 TRP 666 HB1 TRP 666 26.358 2.558 1.332 77 HD1 TRP 666 HD1 TRP 666 23.077 0.842 0.312 78 HE1 TRP 666 HE1 TRP 666 22.514 1.598 -2.098 79 HE3 TRP 666 HE3 TRP 666 27.298 3.385 -0.743 80 HZ2 TRP 666 HZ2 TRP 666 23.748 3.114 -4.215 81 HZ3 TRP 666 HZ3 TRP 666 27.625 4.490 -2.961 82 HH2 TRP 666 HH2 TRP 666 25.850 4.356 -4.692 83 H LYS 667 HN LYS 667 26.769 0.196 3.659 84 HA LYS 667 HA LYS 667 29.134 1.556 4.210 85 HB2 LYS 667 HB2 LYS 667 27.664 -0.769 5.351 86 HB3 LYS 667 HB1 LYS 667 29.318 -0.549 5.925 87 HG2 LYS 667 HG2 LYS 667 28.579 1.966 6.188 88 HG3 LYS 667 HG1 LYS 667 26.955 1.278 6.217 89 HD2 LYS 667 HD2 LYS 667 27.279 0.247 8.238 90 HD3 LYS 667 HD1 LYS 667 28.985 -0.067 7.921 91 HE2 LYS 667 HE2 LYS 667 29.656 1.991 8.740 92 HE3 LYS 667 HE1 LYS 667 28.142 2.788 8.260 93 HZ1 LYS 667 HZ1 LYS 667 28.476 0.817 10.461 94 HZ2 LYS 667 HZ2 LYS 667 26.987 1.457 9.951 95 HZ3 LYS 667 HZ3 LYS 667 28.161 2.475 10.640 96 H ASN 668 HN ASN 668 28.787 -1.591 2.681 97 HA ASN 668 HA ASN 668 31.564 -2.413 2.873 98 HB2 ASN 668 HB2 ASN 668 29.122 -3.117 1.264 99 HB3 ASN 668 HB1 ASN 668 30.687 -3.763 0.768 100 HD21 ASN 668 HD21 ASN 668 28.059 -4.665 2.507 101 HD22 ASN 668 HD22 ASN 668 28.793 -5.645 3.684 102 H LEU 669 HN LEU 669 29.696 -0.643 0.386 103 HA LEU 669 HA LEU 669 31.903 -0.382 -1.478 104 HB2 LEU 669 HB2 LEU 669 29.240 -0.059 -1.576 105 HB3 LEU 669 HB1 LEU 669 29.704 1.623 -1.312 106 HG LEU 669 HG LEU 669 31.342 0.198 -3.315 107 HD11 LEU 669 HD11 LEU 669 28.410 0.795 -3.812 108 HD12 LEU 669 HD12 LEU 669 29.178 -0.793 -3.854 109 HD13 LEU 669 HD13 LEU 669 29.585 0.416 -5.072 110 HD21 LEU 669 HD21 LEU 669 29.904 2.859 -3.137 111 HD22 LEU 669 HD22 LEU 669 30.841 2.361 -4.545 112 HD23 LEU 669 HD23 LEU 669 31.636 2.565 -2.985 113 H TRP 670 HN TRP 670 30.622 1.722 1.144 114 HA TRP 670 HA TRP 670 32.326 3.945 0.552 115 HB2 TRP 670 HB2 TRP 670 30.862 2.933 2.996 116 HB3 TRP 670 HB1 TRP 670 31.810 4.413 3.064 117 HD1 TRP 670 HD1 TRP 670 28.823 4.655 3.576 118 HE1 TRP 670 HE1 TRP 670 27.267 5.941 1.975 119 HE3 TRP 670 HE3 TRP 670 31.603 4.479 -0.720 120 HZ2 TRP 670 HZ2 TRP 670 27.206 6.785 -0.748 121 HZ3 TRP 670 HZ3 TRP 670 30.767 5.535 -2.792 122 HH2 TRP 670 HH2 TRP 670 28.573 6.686 -2.815 123 H ASN 671 HN ASN 671 32.836 0.989 2.407 124 HA ASN 671 HA ASN 671 35.353 1.906 3.574 125 HB2 ASN 671 HB2 ASN 671 33.647 -0.535 3.481 126 HB3 ASN 671 HB1 ASN 671 35.352 -0.776 3.862 127 HD21 ASN 671 HD21 ASN 671 32.993 -1.020 5.707 128 HD22 ASN 671 HD22 ASN 671 33.290 0.075 6.970 129 H TRP 672 HN TRP 672 34.340 0.255 0.665 130 HA TRP 672 HA TRP 672 36.585 -1.153 -0.195 131 HB2 TRP 672 HB2 TRP 672 34.284 0.246 -1.330 132 HB3 TRP 672 HB1 TRP 672 35.643 0.198 -2.446 133 HD1 TRP 672 HD1 TRP 672 34.721 -2.564 0.081 134 HE1 TRP 672 HE1 TRP 672 34.219 -4.716 -1.250 135 HE3 TRP 672 HE3 TRP 672 35.043 -0.735 -4.650 136 HZ2 TRP 672 HZ2 TRP 672 33.992 -5.550 -3.987 137 HZ3 TRP 672 HZ3 TRP 672 34.683 -2.217 -6.613 138 HH2 TRP 672 HH2 TRP 672 34.157 -4.620 -6.286 139 H PHE 673 HN PHE 673 35.926 2.258 -1.079 140 HA PHE 673 HA PHE 673 38.489 2.799 -2.207 141 HB2 PHE 673 HB2 PHE 673 36.445 4.592 -0.857 142 HB3 PHE 673 HB1 PHE 673 37.758 5.168 -1.883 143 HD1 PHE 673 HD2 PHE 673 37.934 3.879 -4.232 144 HD2 PHE 673 HD1 PHE 673 34.373 4.243 -1.858 145 HE1 PHE 673 HE2 PHE 673 36.548 3.456 -6.245 146 HE2 PHE 673 HE1 PHE 673 32.988 3.820 -3.871 147 HZ PHE 673 HZ PHE 673 34.075 3.427 -6.065 148 H ASN 674 HN ASN 674 40.097 1.961 -0.722 149 HA ASN 674 HA ASN 674 40.256 3.216 1.971 150 HB2 ASN 674 HB2 ASN 674 40.731 0.684 0.936 151 HB3 ASN 674 HB1 ASN 674 42.357 1.343 1.126 152 HD21 ASN 674 HD21 ASN 674 40.998 -0.777 2.777 153 HD22 ASN 674 HD22 ASN 674 41.028 -0.194 4.371 154 H ILE 675 HN ILE 675 40.686 5.212 0.236 155 HA ILE 675 HA ILE 675 43.129 5.607 -1.038 156 HB ILE 675 HB ILE 675 41.491 7.553 0.653 157 HG12 ILE 675 HG12 ILE 675 41.186 7.340 -2.298 158 HG13 ILE 675 HG11 ILE 675 40.506 6.033 -1.344 159 HG21 ILE 675 HG21 ILE 675 43.250 8.099 -1.754 160 HG22 ILE 675 HG22 ILE 675 43.719 8.421 -0.085 161 HG23 ILE 675 HG23 ILE 675 42.365 9.291 -0.805 162 HD11 ILE 675 HD11 ILE 675 39.424 7.857 0.099 163 HD12 ILE 675 HD12 ILE 675 38.758 7.631 -1.518 164 HD13 ILE 675 HD13 ILE 675 39.852 8.976 -1.195 165 H THR 676 HN THR 676 42.552 5.339 2.396 166 HA THR 676 HA THR 676 45.039 6.702 3.160 167 HB THR 676 HB THR 676 42.930 5.052 4.584 168 HG1 THR 676 HG1 THR 676 42.057 6.953 4.475 169 HG21 THR 676 HG21 THR 676 45.436 6.349 5.664 170 HG22 THR 676 HG22 THR 676 44.934 4.665 5.823 171 HG23 THR 676 HG23 THR 676 44.058 5.932 6.683 172 H ASN 677 HN ASN 677 43.975 3.474 2.394 173 HA ASN 677 HA ASN 677 46.230 2.053 3.584 174 HB2 ASN 677 HB2 ASN 677 43.704 1.505 2.668 175 HB3 ASN 677 HB1 ASN 677 44.696 0.875 1.353 176 HD21 ASN 677 HD21 ASN 677 43.905 0.475 4.782 177 HD22 ASN 677 HD22 ASN 677 44.714 -1.004 4.980 178 H TRP 678 HN TRP 678 45.255 2.734 0.218 179 HA TRP 678 HA TRP 678 47.637 1.685 -1.011 180 HB2 TRP 678 HB2 TRP 678 46.669 2.573 -2.983 181 HB3 TRP 678 HB1 TRP 678 45.278 2.307 -1.950 182 HD1 TRP 678 HD1 TRP 678 44.926 4.562 -0.244 183 HE1 TRP 678 HE1 TRP 678 44.721 6.995 -1.022 184 HE3 TRP 678 HE3 TRP 678 47.152 4.188 -4.743 185 HZ2 TRP 678 HZ2 TRP 678 45.419 8.603 -3.307 186 HZ3 TRP 678 HZ3 TRP 678 47.393 6.158 -6.240 187 HH2 TRP 678 HH2 TRP 678 46.528 8.372 -5.520 188 H LEU 679 HN LEU 679 47.005 4.628 0.666 189 HA LEU 679 HA LEU 679 48.970 6.338 -0.588 190 HB2 LEU 679 HB2 LEU 679 47.260 6.231 1.846 191 HB3 LEU 679 HB1 LEU 679 48.668 7.287 1.939 192 HG LEU 679 HG LEU 679 46.644 7.358 -0.303 193 HD11 LEU 679 HD11 LEU 679 46.094 8.079 2.231 194 HD12 LEU 679 HD12 LEU 679 45.463 8.956 0.839 195 HD13 LEU 679 HD13 LEU 679 46.892 9.553 1.685 196 HD21 LEU 679 HD21 LEU 679 48.491 8.376 -1.215 197 HD22 LEU 679 HD22 LEU 679 49.176 8.775 0.360 198 HD23 LEU 679 HD23 LEU 679 47.867 9.753 -0.306 199 H TRP 680 HN TRP 680 49.191 3.761 1.727 200 HA TRP 680 HA TRP 680 51.325 4.320 3.350 201 HB2 TRP 680 HB2 TRP 680 51.538 1.980 3.524 202 HB3 TRP 680 HB1 TRP 680 49.887 2.204 2.959 203 HD1 TRP 680 HD1 TRP 680 49.556 1.970 0.208 204 HE1 TRP 680 HE1 TRP 680 50.704 0.327 -1.411 205 HE3 TRP 680 HE3 TRP 680 53.595 0.632 3.031 206 HZ2 TRP 680 HZ2 TRP 680 53.030 -1.337 -1.496 207 HZ3 TRP 680 HZ3 TRP 680 55.260 -0.984 2.158 208 HH2 TRP 680 HH2 TRP 680 54.983 -1.969 -0.101 209 H TYR 681 HN TYR 681 51.493 3.618 -0.118 210 HA TYR 681 HA TYR 681 54.369 3.306 -0.227 211 HB2 TYR 681 HB2 TYR 681 53.882 2.676 -2.342 212 HB3 TYR 681 HB1 TYR 681 52.209 2.769 -1.821 213 HD1 TYR 681 HD2 TYR 681 54.939 4.884 -3.290 214 HD2 TYR 681 HD1 TYR 681 50.718 4.156 -2.963 215 HE1 TYR 681 HE2 TYR 681 54.507 6.601 -5.026 216 HE2 TYR 681 HE1 TYR 681 50.288 5.867 -4.706 217 HH TYR 681 HH TYR 681 51.822 6.845 -6.737 218 H ILE 682 HN ILE 682 52.268 6.161 -0.294 219 HA ILE 682 HA ILE 682 54.718 7.775 -0.840 220 HB ILE 682 HB ILE 682 52.654 9.496 -1.256 221 HG12 ILE 682 HG12 ILE 682 51.650 6.876 -2.361 222 HG13 ILE 682 HG11 ILE 682 51.060 7.552 -0.847 223 HG21 ILE 682 HG21 ILE 682 52.903 8.405 -3.746 224 HG22 ILE 682 HG22 ILE 682 54.348 7.783 -2.950 225 HG23 ILE 682 HG23 ILE 682 54.066 9.520 -3.031 226 HD11 ILE 682 HD11 ILE 682 51.070 9.137 -3.418 227 HD12 ILE 682 HD12 ILE 682 50.197 9.490 -1.927 228 HD13 ILE 682 HD13 ILE 682 49.704 8.131 -2.937 229 H LYS 683 HN LYS 683 51.658 8.875 0.461 230 HA LYS 683 HA LYS 683 53.073 10.095 2.752 231 HB2 LYS 683 HB2 LYS 683 50.460 10.322 1.336 232 HB3 LYS 683 HB1 LYS 683 50.474 10.769 3.043 233 HG2 LYS 683 HG2 LYS 683 52.722 11.818 1.414 234 HG3 LYS 683 HG1 LYS 683 51.132 12.494 1.058 235 HD2 LYS 683 HD2 LYS 683 51.604 13.892 2.795 236 HD3 LYS 683 HD1 LYS 683 51.099 12.523 3.787 237 HE2 LYS 683 HE2 LYS 683 53.177 12.745 4.731 238 HE3 LYS 683 HE1 LYS 683 53.737 11.900 3.274 239 HZ1 LYS 683 HZ1 LYS 683 53.440 14.842 3.588 240 HZ2 LYS 683 HZ2 LYS 683 53.892 14.054 2.152 241 HZ3 LYS 683 HZ3 LYS 683 54.907 13.992 3.513 Start of MODEL 7 1 H1 GLU 657 HT1 GLU 657 17.121 -10.481 2.422 2 H2 GLU 657 HT2 GLU 657 18.433 -9.401 2.396 3 H3 GLU 657 HT3 GLU 657 17.149 -9.211 1.298 4 HA GLU 657 HA GLU 657 15.650 -8.552 3.004 5 HB2 GLU 657 HB2 GLU 657 16.438 -8.683 5.373 6 HB3 GLU 657 HB1 GLU 657 16.407 -10.262 4.588 7 HG2 GLU 657 HG2 GLU 657 18.684 -10.469 4.614 8 HG3 GLU 657 HG1 GLU 657 18.946 -8.748 4.327 9 H LYS 658 HN LYS 658 16.947 -6.959 1.315 10 HA LYS 658 HA LYS 658 17.603 -4.596 2.893 11 HB2 LYS 658 HB2 LYS 658 19.953 -4.460 2.070 12 HB3 LYS 658 HB1 LYS 658 19.689 -5.883 3.079 13 HG2 LYS 658 HG2 LYS 658 19.405 -7.273 1.066 14 HG3 LYS 658 HG1 LYS 658 19.642 -5.854 0.046 15 HD2 LYS 658 HD2 LYS 658 21.746 -7.064 0.189 16 HD3 LYS 658 HD1 LYS 658 21.903 -5.552 1.086 17 HE2 LYS 658 HE2 LYS 658 21.498 -6.731 3.205 18 HE3 LYS 658 HE1 LYS 658 21.270 -8.256 2.326 19 HZ1 LYS 658 HZ1 LYS 658 23.702 -6.579 2.058 20 HZ2 LYS 658 HZ2 LYS 658 23.471 -8.168 1.503 21 HZ3 LYS 658 HZ3 LYS 658 23.587 -7.856 3.169 22 H ASP 659 HN ASP 659 17.275 -2.760 1.635 23 HA ASP 659 HA ASP 659 16.262 -3.133 -1.096 24 HB2 ASP 659 HB2 ASP 659 15.717 -1.464 0.991 25 HB3 ASP 659 HB1 ASP 659 16.757 -0.426 0.013 26 H LEU 660 HN LEU 660 17.178 -0.663 -2.210 27 HA LEU 660 HA LEU 660 19.861 -1.477 -3.096 28 HB2 LEU 660 HB2 LEU 660 18.099 0.870 -3.844 29 HB3 LEU 660 HB1 LEU 660 19.507 0.311 -4.743 30 HG LEU 660 HG LEU 660 17.129 -1.472 -4.179 31 HD11 LEU 660 HD11 LEU 660 16.662 -0.978 -6.681 32 HD12 LEU 660 HD12 LEU 660 17.651 0.461 -6.436 33 HD13 LEU 660 HD13 LEU 660 16.173 0.237 -5.500 34 HD21 LEU 660 HD21 LEU 660 19.624 -2.146 -4.968 35 HD22 LEU 660 HD22 LEU 660 18.919 -1.770 -6.539 36 HD23 LEU 660 HD23 LEU 660 18.189 -3.009 -5.520 37 H LEU 661 HN LEU 661 18.384 1.391 -1.651 38 HA LEU 661 HA LEU 661 20.962 2.676 -1.140 39 HB2 LEU 661 HB2 LEU 661 18.054 3.218 -0.644 40 HB3 LEU 661 HB1 LEU 661 19.285 4.243 0.086 41 HG LEU 661 HG LEU 661 18.226 4.632 -2.389 42 HD11 LEU 661 HD11 LEU 661 20.525 5.899 -2.748 43 HD12 LEU 661 HD12 LEU 661 20.794 5.409 -1.075 44 HD13 LEU 661 HD13 LEU 661 19.402 6.411 -1.487 45 HD21 LEU 661 HD21 LEU 661 19.303 2.607 -3.320 46 HD22 LEU 661 HD22 LEU 661 20.879 3.242 -2.849 47 HD23 LEU 661 HD23 LEU 661 19.923 4.075 -4.070 48 H ALA 662 HN ALA 662 20.008 0.034 0.276 49 HA ALA 662 HA ALA 662 19.628 0.544 3.042 50 HB1 ALA 662 HB1 ALA 662 20.517 -1.824 3.214 51 HB2 ALA 662 HB2 ALA 662 20.894 -1.739 1.493 52 HB3 ALA 662 HB3 ALA 662 19.220 -1.626 2.035 53 H LEU 663 HN LEU 663 21.036 1.965 3.989 54 HA LEU 663 HA LEU 663 23.757 2.414 3.426 55 HB2 LEU 663 HB2 LEU 663 23.788 3.392 5.700 56 HB3 LEU 663 HB1 LEU 663 22.292 3.801 4.862 57 HG LEU 663 HG LEU 663 21.520 1.492 6.025 58 HD11 LEU 663 HD11 LEU 663 22.472 1.895 8.474 59 HD12 LEU 663 HD12 LEU 663 23.843 2.559 7.586 60 HD13 LEU 663 HD13 LEU 663 23.346 0.887 7.321 61 HD21 LEU 663 HD21 LEU 663 20.151 3.339 6.395 62 HD22 LEU 663 HD22 LEU 663 21.489 4.349 6.941 63 HD23 LEU 663 HD23 LEU 663 20.830 3.110 8.007 64 H ASP 664 HN ASP 664 22.251 -0.174 5.201 65 HA ASP 664 HA ASP 664 24.588 -1.140 6.602 66 HB2 ASP 664 HB2 ASP 664 21.843 -2.053 5.886 67 HB3 ASP 664 HB1 ASP 664 23.003 -3.316 6.299 68 H SER 665 HN SER 665 23.296 -1.536 3.358 69 HA SER 665 HA SER 665 25.258 -3.650 2.680 70 HB2 SER 665 HB2 SER 665 23.239 -2.261 0.910 71 HB3 SER 665 HB1 SER 665 23.946 -3.859 0.686 72 HG SER 665 HG SER 665 22.108 -2.990 2.662 73 H TRP 666 HN TRP 666 24.699 -0.237 2.265 74 HA TRP 666 HA TRP 666 26.578 0.216 0.082 75 HB2 TRP 666 HB2 TRP 666 24.930 1.762 2.015 76 HB3 TRP 666 HB1 TRP 666 26.288 2.598 1.289 77 HD1 TRP 666 HD1 TRP 666 22.990 0.867 0.347 78 HE1 TRP 666 HE1 TRP 666 22.368 1.621 -2.051 79 HE3 TRP 666 HE3 TRP 666 27.175 3.428 -0.804 80 HZ2 TRP 666 HZ2 TRP 666 23.548 3.141 -4.196 81 HZ3 TRP 666 HZ3 TRP 666 27.447 4.534 -3.031 82 HH2 TRP 666 HH2 TRP 666 25.634 4.390 -4.720 83 H LYS 667 HN LYS 667 26.747 0.222 3.617 84 HA LYS 667 HA LYS 667 29.156 1.567 4.091 85 HB2 LYS 667 HB2 LYS 667 27.775 -0.819 5.305 86 HB3 LYS 667 HB1 LYS 667 29.342 -0.313 5.939 87 HG2 LYS 667 HG2 LYS 667 27.291 1.812 5.523 88 HG3 LYS 667 HG1 LYS 667 27.045 0.705 6.874 89 HD2 LYS 667 HD2 LYS 667 28.374 2.271 7.925 90 HD3 LYS 667 HD1 LYS 667 29.636 1.220 7.279 91 HE2 LYS 667 HE2 LYS 667 30.291 2.759 5.695 92 HE3 LYS 667 HE1 LYS 667 28.643 3.382 5.474 93 HZ1 LYS 667 HZ1 LYS 667 30.035 4.964 6.690 94 HZ2 LYS 667 HZ2 LYS 667 30.330 3.795 7.888 95 HZ3 LYS 667 HZ3 LYS 667 28.759 4.398 7.655 96 H ASN 668 HN ASN 668 28.679 -1.673 2.759 97 HA ASN 668 HA ASN 668 31.430 -2.566 2.895 98 HB2 ASN 668 HB2 ASN 668 28.948 -3.242 1.320 99 HB3 ASN 668 HB1 ASN 668 30.485 -4.001 0.906 100 HD21 ASN 668 HD21 ASN 668 27.881 -3.957 3.237 101 HD22 ASN 668 HD22 ASN 668 28.493 -5.183 4.240 102 H LEU 669 HN LEU 669 29.706 -0.434 0.697 103 HA LEU 669 HA LEU 669 31.855 -0.472 -1.336 104 HB2 LEU 669 HB2 LEU 669 29.223 -0.134 -1.477 105 HB3 LEU 669 HB1 LEU 669 29.658 1.550 -1.180 106 HG LEU 669 HG LEU 669 31.338 0.174 -3.187 107 HD11 LEU 669 HD11 LEU 669 28.842 -0.606 -3.470 108 HD12 LEU 669 HD12 LEU 669 29.752 -0.059 -4.877 109 HD13 LEU 669 HD13 LEU 669 28.605 1.026 -4.092 110 HD21 LEU 669 HD21 LEU 669 30.042 2.843 -2.739 111 HD22 LEU 669 HD22 LEU 669 30.558 2.412 -4.370 112 HD23 LEU 669 HD23 LEU 669 31.734 2.463 -3.056 113 H TRP 670 HN TRP 670 30.664 1.702 1.260 114 HA TRP 670 HA TRP 670 32.328 3.920 0.570 115 HB2 TRP 670 HB2 TRP 670 30.978 2.942 3.092 116 HB3 TRP 670 HB1 TRP 670 31.885 4.446 3.078 117 HD1 TRP 670 HD1 TRP 670 28.890 4.572 3.688 118 HE1 TRP 670 HE1 TRP 670 27.248 5.787 2.117 119 HE3 TRP 670 HE3 TRP 670 31.566 4.459 -0.672 120 HZ2 TRP 670 HZ2 TRP 670 27.089 6.604 -0.611 121 HZ3 TRP 670 HZ3 TRP 670 30.643 5.466 -2.733 122 HH2 TRP 670 HH2 TRP 670 28.408 6.535 -2.710 123 H ASN 671 HN ASN 671 32.992 1.013 2.475 124 HA ASN 671 HA ASN 671 35.535 2.096 3.461 125 HB2 ASN 671 HB2 ASN 671 35.728 -0.094 4.504 126 HB3 ASN 671 HB1 ASN 671 34.058 0.446 4.665 127 HD21 ASN 671 HD21 ASN 671 36.167 -1.876 3.030 128 HD22 ASN 671 HD22 ASN 671 34.918 -2.822 2.379 129 H TRP 672 HN TRP 672 34.427 0.369 0.673 130 HA TRP 672 HA TRP 672 36.636 -1.086 -0.242 131 HB2 TRP 672 HB2 TRP 672 34.276 0.251 -1.294 132 HB3 TRP 672 HB1 TRP 672 35.592 0.284 -2.461 133 HD1 TRP 672 HD1 TRP 672 34.805 -2.547 0.044 134 HE1 TRP 672 HE1 TRP 672 34.374 -4.699 -1.308 135 HE3 TRP 672 HE3 TRP 672 35.054 -0.662 -4.673 136 HZ2 TRP 672 HZ2 TRP 672 34.169 -5.514 -4.051 137 HZ3 TRP 672 HZ3 TRP 672 34.741 -2.137 -6.648 138 HH2 TRP 672 HH2 TRP 672 34.298 -4.559 -6.341 139 H PHE 673 HN PHE 673 35.962 2.322 -1.130 140 HA PHE 673 HA PHE 673 38.622 2.745 -2.216 141 HB2 PHE 673 HB2 PHE 673 36.360 4.600 -1.406 142 HB3 PHE 673 HB1 PHE 673 37.778 5.108 -2.324 143 HD1 PHE 673 HD1 PHE 673 38.329 3.491 -4.411 144 HD2 PHE 673 HD2 PHE 673 34.461 4.024 -2.620 145 HE1 PHE 673 HE1 PHE 673 37.251 2.717 -6.505 146 HE2 PHE 673 HE2 PHE 673 33.384 3.249 -4.715 147 HZ PHE 673 HZ PHE 673 34.779 2.595 -6.658 148 H ASN 674 HN ASN 674 40.367 3.844 -1.236 149 HA ASN 674 HA ASN 674 40.304 3.963 1.728 150 HB2 ASN 674 HB2 ASN 674 42.104 3.038 -0.082 151 HB3 ASN 674 HB1 ASN 674 42.724 4.672 0.154 152 HD21 ASN 674 HD21 ASN 674 44.299 4.685 1.755 153 HD22 ASN 674 HD22 ASN 674 44.266 3.745 3.168 154 H ILE 675 HN ILE 675 38.734 5.986 0.508 155 HA ILE 675 HA ILE 675 40.171 8.455 0.089 156 HB ILE 675 HB ILE 675 37.319 8.020 1.040 157 HG12 ILE 675 HG12 ILE 675 37.754 6.536 -0.863 158 HG13 ILE 675 HG11 ILE 675 36.757 7.884 -1.384 159 HG21 ILE 675 HG21 ILE 675 37.522 10.305 0.969 160 HG22 ILE 675 HG22 ILE 675 37.217 10.033 -0.747 161 HG23 ILE 675 HG23 ILE 675 38.868 10.255 -0.169 162 HD11 ILE 675 HD11 ILE 675 38.759 9.043 -2.242 163 HD12 ILE 675 HD12 ILE 675 38.571 7.461 -2.998 164 HD13 ILE 675 HD13 ILE 675 39.761 7.690 -1.716 165 H THR 676 HN THR 676 38.893 6.822 2.950 166 HA THR 676 HA THR 676 38.801 8.918 4.826 167 HB THR 676 HB THR 676 39.999 6.233 5.485 168 HG1 THR 676 HG1 THR 676 38.443 5.411 4.329 169 HG21 THR 676 HG21 THR 676 38.080 6.537 7.255 170 HG22 THR 676 HG22 THR 676 38.160 8.229 6.761 171 HG23 THR 676 HG23 THR 676 39.586 7.438 7.433 172 H ASN 677 HN ASN 677 41.601 7.395 3.367 173 HA ASN 677 HA ASN 677 43.509 8.570 5.284 174 HB2 ASN 677 HB2 ASN 677 43.512 6.811 2.870 175 HB3 ASN 677 HB1 ASN 677 44.998 7.697 3.216 176 HD21 ASN 677 HD21 ASN 677 42.574 6.174 5.416 177 HD22 ASN 677 HD22 ASN 677 43.708 5.212 6.234 178 H TRP 678 HN TRP 678 41.864 9.492 2.408 179 HA TRP 678 HA TRP 678 43.815 11.506 1.522 180 HB2 TRP 678 HB2 TRP 678 41.346 10.177 0.642 181 HB3 TRP 678 HB1 TRP 678 41.387 11.883 0.230 182 HD1 TRP 678 HD1 TRP 678 43.507 8.711 -0.173 183 HE1 TRP 678 HE1 TRP 678 44.906 8.983 -2.340 184 HE3 TRP 678 HE3 TRP 678 42.198 13.428 -1.380 185 HZ2 TRP 678 HZ2 TRP 678 45.388 11.012 -4.340 186 HZ3 TRP 678 HZ3 TRP 678 43.116 14.549 -3.413 187 HH2 TRP 678 HH2 TRP 678 44.709 13.341 -4.890 188 H LEU 679 HN LEU 679 40.835 11.349 3.377 189 HA LEU 679 HA LEU 679 40.232 14.178 3.195 190 HB2 LEU 679 HB2 LEU 679 39.308 12.094 5.189 191 HB3 LEU 679 HB1 LEU 679 38.473 13.580 4.755 192 HG LEU 679 HG LEU 679 38.908 11.124 3.062 193 HD11 LEU 679 HD11 LEU 679 36.364 11.773 2.706 194 HD12 LEU 679 HD12 LEU 679 36.608 12.607 4.241 195 HD13 LEU 679 HD13 LEU 679 36.885 10.869 4.128 196 HD21 LEU 679 HD21 LEU 679 37.597 12.722 1.358 197 HD22 LEU 679 HD22 LEU 679 39.359 12.655 1.395 198 HD23 LEU 679 HD23 LEU 679 38.509 13.960 2.222 199 H TRP 680 HN TRP 680 42.297 12.290 5.257 200 HA TRP 680 HA TRP 680 42.342 13.706 7.664 201 HB2 TRP 680 HB2 TRP 680 44.396 12.620 7.972 202 HB3 TRP 680 HB1 TRP 680 43.649 11.638 6.720 203 HD1 TRP 680 HD1 TRP 680 44.284 12.628 4.097 204 HE1 TRP 680 HE1 TRP 680 46.637 13.231 3.234 205 HE3 TRP 680 HE3 TRP 680 46.698 13.335 8.541 206 HZ2 TRP 680 HZ2 TRP 680 49.204 13.923 4.289 207 HZ3 TRP 680 HZ3 TRP 680 49.094 13.967 8.583 208 HH2 TRP 680 HH2 TRP 680 50.350 14.262 6.465 209 H TYR 681 HN TYR 681 43.513 14.702 4.517 210 HA TYR 681 HA TYR 681 44.872 17.095 5.662 211 HB2 TYR 681 HB2 TYR 681 46.332 16.340 4.089 212 HB3 TYR 681 HB1 TYR 681 45.112 15.328 3.329 213 HD1 TYR 681 HD1 TYR 681 45.811 19.004 3.747 214 HD2 TYR 681 HD2 TYR 681 44.608 15.821 1.126 215 HE1 TYR 681 HE1 TYR 681 45.643 20.612 1.869 216 HE2 TYR 681 HE2 TYR 681 44.438 17.428 -0.751 217 HH TYR 681 HH TYR 681 44.079 19.902 -1.026 218 H ILE 682 HN ILE 682 41.992 16.160 3.840 219 HA ILE 682 HA ILE 682 41.343 19.059 3.686 220 HB ILE 682 HB ILE 682 39.833 17.954 1.714 221 HG12 ILE 682 HG12 ILE 682 42.444 16.451 1.536 222 HG13 ILE 682 HG11 ILE 682 40.994 15.728 2.230 223 HG21 ILE 682 HG21 ILE 682 42.699 18.909 1.548 224 HG22 ILE 682 HG22 ILE 682 41.246 19.899 1.410 225 HG23 ILE 682 HG23 ILE 682 41.638 18.725 0.152 226 HD11 ILE 682 HD11 ILE 682 40.999 15.102 -0.077 227 HD12 ILE 682 HD12 ILE 682 41.382 16.745 -0.591 228 HD13 ILE 682 HD13 ILE 682 39.792 16.378 0.079 229 H LYS 683 HN LYS 683 39.256 16.348 2.924 230 HA LYS 683 HA LYS 683 37.094 17.369 4.550 231 HB2 LYS 683 HB2 LYS 683 37.438 15.608 2.451 232 HB3 LYS 683 HB1 LYS 683 37.042 14.525 3.785 233 HG2 LYS 683 HG2 LYS 683 35.096 16.108 4.300 234 HG3 LYS 683 HG1 LYS 683 35.412 16.842 2.728 235 HD2 LYS 683 HD2 LYS 683 35.233 13.877 2.770 236 HD3 LYS 683 HD1 LYS 683 33.728 14.750 3.059 237 HE2 LYS 683 HE2 LYS 683 34.571 16.179 0.962 238 HE3 LYS 683 HE1 LYS 683 35.418 14.664 0.592 239 HZ1 LYS 683 HZ1 LYS 683 32.547 14.821 1.332 240 HZ2 LYS 683 HZ2 LYS 683 33.391 13.450 0.792 241 HZ3 LYS 683 HZ3 LYS 683 33.101 14.745 -0.268 Start of MODEL 8 1 H1 GLU 657 HT1 GLU 657 18.958 -8.043 -1.364 2 H2 GLU 657 HT2 GLU 657 19.239 -6.374 -1.226 3 H3 GLU 657 HT3 GLU 657 17.811 -6.941 -1.948 4 HA GLU 657 HA GLU 657 17.053 -7.851 0.155 5 HB2 GLU 657 HB2 GLU 657 19.899 -7.194 0.728 6 HB3 GLU 657 HB1 GLU 657 18.764 -6.965 2.060 7 HG2 GLU 657 HG2 GLU 657 17.969 -9.273 1.809 8 HG3 GLU 657 HG1 GLU 657 19.054 -9.512 0.439 9 H LYS 658 HN LYS 658 15.467 -6.448 0.790 10 HA LYS 658 HA LYS 658 14.337 -4.416 1.216 11 HB2 LYS 658 HB2 LYS 658 17.133 -3.783 2.219 12 HB3 LYS 658 HB1 LYS 658 15.676 -2.891 2.654 13 HG2 LYS 658 HG2 LYS 658 14.703 -4.937 3.625 14 HG3 LYS 658 HG1 LYS 658 16.157 -5.837 3.189 15 HD2 LYS 658 HD2 LYS 658 16.432 -3.340 4.827 16 HD3 LYS 658 HD1 LYS 658 15.907 -4.828 5.616 17 HE2 LYS 658 HE2 LYS 658 17.927 -5.968 4.543 18 HE3 LYS 658 HE1 LYS 658 18.499 -4.341 4.122 19 HZ1 LYS 658 HZ1 LYS 658 17.791 -5.314 6.841 20 HZ2 LYS 658 HZ2 LYS 658 18.204 -3.709 6.464 21 HZ3 LYS 658 HZ3 LYS 658 19.351 -4.949 6.282 22 H ASP 659 HN ASP 659 15.224 -1.763 1.097 23 HA ASP 659 HA ASP 659 15.089 -1.137 -1.672 24 HB2 ASP 659 HB2 ASP 659 15.572 0.198 0.910 25 HB3 ASP 659 HB1 ASP 659 16.292 1.035 -0.466 26 H LEU 660 HN LEU 660 16.953 0.360 -2.652 27 HA LEU 660 HA LEU 660 19.387 -1.320 -2.728 28 HB2 LEU 660 HB2 LEU 660 18.404 1.050 -4.345 29 HB3 LEU 660 HB1 LEU 660 19.873 0.141 -4.706 30 HG LEU 660 HG LEU 660 17.986 -1.860 -4.455 31 HD11 LEU 660 HD11 LEU 660 15.932 -1.207 -5.218 32 HD12 LEU 660 HD12 LEU 660 16.608 0.021 -6.290 33 HD13 LEU 660 HD13 LEU 660 16.424 0.357 -4.568 34 HD21 LEU 660 HD21 LEU 660 19.495 -2.017 -6.232 35 HD22 LEU 660 HD22 LEU 660 19.190 -0.365 -6.766 36 HD23 LEU 660 HD23 LEU 660 17.999 -1.626 -7.079 37 H LEU 661 HN LEU 661 18.307 1.766 -1.554 38 HA LEU 661 HA LEU 661 21.008 2.853 -1.168 39 HB2 LEU 661 HB2 LEU 661 18.170 3.663 -0.632 40 HB3 LEU 661 HB1 LEU 661 19.503 4.593 0.042 41 HG LEU 661 HG LEU 661 18.417 4.979 -2.437 42 HD11 LEU 661 HD11 LEU 661 21.206 5.559 -1.426 43 HD12 LEU 661 HD12 LEU 661 19.787 6.600 -1.298 44 HD13 LEU 661 HD13 LEU 661 20.523 6.300 -2.873 45 HD21 LEU 661 HD21 LEU 661 20.072 4.277 -4.108 46 HD22 LEU 661 HD22 LEU 661 19.373 2.869 -3.313 47 HD23 LEU 661 HD23 LEU 661 20.986 3.427 -2.865 48 H ALA 662 HN ALA 662 19.916 0.332 0.308 49 HA ALA 662 HA ALA 662 19.581 0.909 3.067 50 HB1 ALA 662 HB1 ALA 662 20.326 -1.400 1.334 51 HB2 ALA 662 HB2 ALA 662 19.042 -1.271 2.536 52 HB3 ALA 662 HB3 ALA 662 20.706 -1.549 3.050 53 H LEU 663 HN LEU 663 21.068 2.252 3.993 54 HA LEU 663 HA LEU 663 23.804 2.555 3.410 55 HB2 LEU 663 HB2 LEU 663 23.899 3.548 5.675 56 HB3 LEU 663 HB1 LEU 663 22.422 4.027 4.840 57 HG LEU 663 HG LEU 663 21.542 1.768 6.029 58 HD11 LEU 663 HD11 LEU 663 24.011 1.874 7.115 59 HD12 LEU 663 HD12 LEU 663 22.619 1.226 7.981 60 HD13 LEU 663 HD13 LEU 663 23.145 2.884 8.274 61 HD21 LEU 663 HD21 LEU 663 21.692 4.265 7.696 62 HD22 LEU 663 HD22 LEU 663 20.321 3.189 7.428 63 HD23 LEU 663 HD23 LEU 663 20.831 4.300 6.158 64 H ASP 664 HN ASP 664 22.184 0.060 5.218 65 HA ASP 664 HA ASP 664 24.469 -1.004 6.628 66 HB2 ASP 664 HB2 ASP 664 21.703 -1.844 5.859 67 HB3 ASP 664 HB1 ASP 664 22.819 -3.111 6.371 68 H SER 665 HN SER 665 23.171 -1.384 3.380 69 HA SER 665 HA SER 665 25.063 -3.571 2.732 70 HB2 SER 665 HB2 SER 665 23.756 -3.706 0.700 71 HB3 SER 665 HB1 SER 665 22.629 -3.490 2.035 72 HG SER 665 HG SER 665 23.128 -1.890 -0.094 73 H TRP 666 HN TRP 666 24.674 -0.141 2.336 74 HA TRP 666 HA TRP 666 26.541 0.215 0.114 75 HB2 TRP 666 HB2 TRP 666 24.953 1.840 2.024 76 HB3 TRP 666 HB1 TRP 666 26.342 2.619 1.293 77 HD1 TRP 666 HD1 TRP 666 22.979 1.013 0.371 78 HE1 TRP 666 HE1 TRP 666 22.397 1.739 -2.042 79 HE3 TRP 666 HE3 TRP 666 27.273 3.368 -0.822 80 HZ2 TRP 666 HZ2 TRP 666 23.643 3.163 -4.216 81 HZ3 TRP 666 HZ3 TRP 666 27.596 4.413 -3.071 82 HH2 TRP 666 HH2 TRP 666 25.780 4.311 -4.762 83 H LYS 667 HN LYS 667 26.749 0.240 3.649 84 HA LYS 667 HA LYS 667 29.180 1.541 4.099 85 HB2 LYS 667 HB2 LYS 667 27.701 -0.754 5.324 86 HB3 LYS 667 HB1 LYS 667 29.347 -0.461 5.887 87 HG2 LYS 667 HG2 LYS 667 28.516 2.048 6.020 88 HG3 LYS 667 HG1 LYS 667 26.926 1.290 6.121 89 HD2 LYS 667 HD2 LYS 667 27.393 0.259 8.149 90 HD3 LYS 667 HD1 LYS 667 29.133 0.243 7.859 91 HE2 LYS 667 HE2 LYS 667 27.734 2.892 8.134 92 HE3 LYS 667 HE1 LYS 667 28.140 1.965 9.592 93 HZ1 LYS 667 HZ1 LYS 667 30.029 2.635 7.396 94 HZ2 LYS 667 HZ2 LYS 667 30.407 1.754 8.800 95 HZ3 LYS 667 HZ3 LYS 667 29.984 3.397 8.911 96 H ASN 668 HN ASN 668 28.678 -1.691 2.743 97 HA ASN 668 HA ASN 668 31.429 -2.576 2.873 98 HB2 ASN 668 HB2 ASN 668 30.550 -4.428 1.827 99 HB3 ASN 668 HB1 ASN 668 29.017 -3.687 2.276 100 HD21 ASN 668 HD21 ASN 668 28.367 -1.868 0.485 101 HD22 ASN 668 HD22 ASN 668 28.485 -2.411 -1.119 102 H LEU 669 HN LEU 669 29.712 -0.445 0.677 103 HA LEU 669 HA LEU 669 31.860 -0.476 -1.357 104 HB2 LEU 669 HB2 LEU 669 29.223 -0.139 -1.486 105 HB3 LEU 669 HB1 LEU 669 29.666 1.546 -1.204 106 HG LEU 669 HG LEU 669 31.322 0.137 -3.210 107 HD11 LEU 669 HD11 LEU 669 29.619 0.312 -4.974 108 HD12 LEU 669 HD12 LEU 669 28.430 0.845 -3.787 109 HD13 LEU 669 HD13 LEU 669 29.082 -0.791 -3.708 110 HD21 LEU 669 HD21 LEU 669 31.739 2.437 -3.022 111 HD22 LEU 669 HD22 LEU 669 30.031 2.827 -2.820 112 HD23 LEU 669 HD23 LEU 669 30.648 2.368 -4.406 113 H TRP 670 HN TRP 670 30.664 1.701 1.235 114 HA TRP 670 HA TRP 670 32.326 3.920 0.540 115 HB2 TRP 670 HB2 TRP 670 30.958 2.946 3.054 116 HB3 TRP 670 HB1 TRP 670 31.877 4.444 3.053 117 HD1 TRP 670 HD1 TRP 670 28.895 4.619 3.650 118 HE1 TRP 670 HE1 TRP 670 27.267 5.842 2.072 119 HE3 TRP 670 HE3 TRP 670 31.562 4.437 -0.714 120 HZ2 TRP 670 HZ2 TRP 670 27.112 6.638 -0.662 121 HZ3 TRP 670 HZ3 TRP 670 30.647 5.439 -2.781 122 HH2 TRP 670 HH2 TRP 670 28.426 6.536 -2.764 123 H ASN 671 HN ASN 671 32.982 1.025 2.466 124 HA ASN 671 HA ASN 671 35.511 2.105 3.480 125 HB2 ASN 671 HB2 ASN 671 35.694 -0.086 4.511 126 HB3 ASN 671 HB1 ASN 671 34.015 0.435 4.639 127 HD21 ASN 671 HD21 ASN 671 36.191 -1.808 2.956 128 HD22 ASN 671 HD22 ASN 671 34.962 -2.780 2.302 129 H TRP 672 HN TRP 672 34.448 0.338 0.684 130 HA TRP 672 HA TRP 672 36.687 -1.081 -0.196 131 HB2 TRP 672 HB2 TRP 672 34.337 0.258 -1.303 132 HB3 TRP 672 HB1 TRP 672 35.667 0.206 -2.453 133 HD1 TRP 672 HD1 TRP 672 34.859 -2.514 0.160 134 HE1 TRP 672 HE1 TRP 672 34.357 -4.703 -1.109 135 HE3 TRP 672 HE3 TRP 672 35.019 -0.788 -4.619 136 HZ2 TRP 672 HZ2 TRP 672 34.067 -5.602 -3.819 137 HZ3 TRP 672 HZ3 TRP 672 34.629 -2.319 -6.538 138 HH2 TRP 672 HH2 TRP 672 34.153 -4.722 -6.141 139 H PHE 673 HN PHE 673 35.966 2.298 -1.145 140 HA PHE 673 HA PHE 673 38.491 2.835 -2.357 141 HB2 PHE 673 HB2 PHE 673 36.444 4.626 -1.005 142 HB3 PHE 673 HB1 PHE 673 37.743 5.212 -2.044 143 HD1 PHE 673 HD1 PHE 673 37.923 4.002 -4.400 144 HD2 PHE 673 HD2 PHE 673 34.381 4.130 -1.974 145 HE1 PHE 673 HE1 PHE 673 36.536 3.534 -6.401 146 HE2 PHE 673 HE2 PHE 673 32.993 3.664 -3.976 147 HZ PHE 673 HZ PHE 673 34.071 3.365 -6.189 148 H ASN 674 HN ASN 674 40.236 2.195 -1.004 149 HA ASN 674 HA ASN 674 40.418 3.124 1.775 150 HB2 ASN 674 HB2 ASN 674 41.272 0.938 0.966 151 HB3 ASN 674 HB1 ASN 674 42.407 1.782 -0.088 152 HD21 ASN 674 HD21 ASN 674 41.494 2.526 3.317 153 HD22 ASN 674 HD22 ASN 674 43.074 2.390 3.925 154 H ILE 675 HN ILE 675 40.111 5.445 0.522 155 HA ILE 675 HA ILE 675 42.450 6.634 -0.643 156 HB ILE 675 HB ILE 675 41.154 8.719 -0.195 157 HG12 ILE 675 HG12 ILE 675 38.709 7.541 0.605 158 HG13 ILE 675 HG11 ILE 675 39.928 7.006 1.752 159 HG21 ILE 675 HG21 ILE 675 40.782 7.221 -2.185 160 HG22 ILE 675 HG22 ILE 675 39.369 8.171 -1.724 161 HG23 ILE 675 HG23 ILE 675 39.463 6.463 -1.292 162 HD11 ILE 675 HD11 ILE 675 39.005 9.787 1.137 163 HD12 ILE 675 HD12 ILE 675 40.664 9.539 1.681 164 HD13 ILE 675 HD13 ILE 675 39.317 9.034 2.701 165 H THR 676 HN THR 676 41.324 6.298 2.698 166 HA THR 676 HA THR 676 42.834 8.273 4.010 167 HB THR 676 HB THR 676 42.610 5.466 5.082 168 HG1 THR 676 HG1 THR 676 40.599 5.497 4.497 169 HG21 THR 676 HG21 THR 676 42.166 6.581 7.146 170 HG22 THR 676 HG22 THR 676 41.872 8.116 6.330 171 HG23 THR 676 HG23 THR 676 43.504 7.453 6.399 172 H ASN 677 HN ASN 677 43.944 5.321 2.485 173 HA ASN 677 HA ASN 677 46.615 5.437 3.737 174 HB2 ASN 677 HB2 ASN 677 45.047 3.465 2.706 175 HB3 ASN 677 HB1 ASN 677 46.074 3.805 1.313 176 HD21 ASN 677 HD21 ASN 677 46.307 3.106 4.841 177 HD22 ASN 677 HD22 ASN 677 47.805 2.315 4.735 178 H TRP 678 HN TRP 678 44.976 6.737 0.996 179 HA TRP 678 HA TRP 678 47.345 7.194 -0.668 180 HB2 TRP 678 HB2 TRP 678 44.422 7.425 -0.745 181 HB3 TRP 678 HB1 TRP 678 45.224 8.762 -1.550 182 HD1 TRP 678 HD1 TRP 678 45.151 4.927 -1.577 183 HE1 TRP 678 HE1 TRP 678 45.818 4.154 -3.961 184 HE3 TRP 678 HE3 TRP 678 46.256 9.416 -3.593 185 HZ2 TRP 678 HZ2 TRP 678 46.721 5.352 -6.430 186 HZ3 TRP 678 HZ3 TRP 678 47.022 9.620 -5.961 187 HH2 TRP 678 HH2 TRP 678 47.252 7.590 -7.376 188 H LEU 679 HN LEU 679 45.494 8.939 1.741 189 HA LEU 679 HA LEU 679 46.406 11.580 0.936 190 HB2 LEU 679 HB2 LEU 679 45.181 10.615 3.530 191 HB3 LEU 679 HB1 LEU 679 45.152 12.255 2.895 192 HG LEU 679 HG LEU 679 43.746 9.818 1.804 193 HD11 LEU 679 HD11 LEU 679 41.791 11.356 1.967 194 HD12 LEU 679 HD12 LEU 679 42.851 12.556 2.706 195 HD13 LEU 679 HD13 LEU 679 42.551 11.022 3.523 196 HD21 LEU 679 HD21 LEU 679 44.420 12.431 0.455 197 HD22 LEU 679 HD22 LEU 679 42.969 11.534 0.008 198 HD23 LEU 679 HD23 LEU 679 44.556 10.793 -0.187 199 H TRP 680 HN TRP 680 47.764 9.101 2.925 200 HA TRP 680 HA TRP 680 49.186 10.441 4.900 201 HB2 TRP 680 HB2 TRP 680 50.604 8.527 4.858 202 HB3 TRP 680 HB1 TRP 680 49.047 7.967 4.269 203 HD1 TRP 680 HD1 TRP 680 48.918 8.407 1.370 204 HE1 TRP 680 HE1 TRP 680 50.648 7.517 -0.322 205 HE3 TRP 680 HE3 TRP 680 52.904 7.698 4.481 206 HZ2 TRP 680 HZ2 TRP 680 53.365 6.623 -0.349 207 HZ3 TRP 680 HZ3 TRP 680 55.049 6.827 3.596 208 HH2 TRP 680 HH2 TRP 680 55.285 6.289 1.188 209 H TYR 681 HN TYR 681 49.730 10.577 1.437 210 HA TYR 681 HA TYR 681 52.348 11.956 1.785 211 HB2 TYR 681 HB2 TYR 681 52.836 11.117 -0.292 212 HB3 TYR 681 HB1 TYR 681 51.603 9.952 0.166 213 HD1 TYR 681 HD1 TYR 681 49.086 11.294 -0.190 214 HD2 TYR 681 HD2 TYR 681 52.653 11.625 -2.555 215 HE1 TYR 681 HE1 TYR 681 47.723 11.974 -2.144 216 HE2 TYR 681 HE2 TYR 681 51.291 12.311 -4.511 217 HH TYR 681 HH TYR 681 49.097 13.316 -4.959 218 H ILE 682 HN ILE 682 49.098 12.910 1.461 219 HA ILE 682 HA ILE 682 49.516 15.123 -0.364 220 HB ILE 682 HB ILE 682 47.234 15.663 0.267 221 HG12 ILE 682 HG12 ILE 682 46.348 13.848 2.077 222 HG13 ILE 682 HG11 ILE 682 47.985 14.116 2.668 223 HG21 ILE 682 HG21 ILE 682 47.475 13.804 -1.265 224 HG22 ILE 682 HG22 ILE 682 46.165 13.441 -0.142 225 HG23 ILE 682 HG23 ILE 682 47.747 12.692 0.075 226 HD11 ILE 682 HD11 ILE 682 47.286 16.670 2.213 227 HD12 ILE 682 HD12 ILE 682 46.976 15.864 3.750 228 HD13 ILE 682 HD13 ILE 682 45.690 16.000 2.550 229 H LYS 683 HN LYS 683 49.784 14.651 3.073 230 HA LYS 683 HA LYS 683 49.772 17.501 3.759 231 HB2 LYS 683 HB2 LYS 683 49.230 15.209 5.081 232 HB3 LYS 683 HB1 LYS 683 50.914 15.422 5.564 233 HG2 LYS 683 HG2 LYS 683 50.439 17.660 6.398 234 HG3 LYS 683 HG1 LYS 683 48.779 17.560 5.811 235 HD2 LYS 683 HD2 LYS 683 49.898 15.559 7.779 236 HD3 LYS 683 HD1 LYS 683 49.145 17.066 8.306 237 HE2 LYS 683 HE2 LYS 683 47.670 15.348 6.331 238 HE3 LYS 683 HE1 LYS 683 47.662 14.890 8.045 239 HZ1 LYS 683 HZ1 LYS 683 46.867 17.020 8.658 240 HZ2 LYS 683 HZ2 LYS 683 45.876 16.499 7.380 241 HZ3 LYS 683 HZ3 LYS 683 47.100 17.644 7.098 Start of MODEL 9 1 H1 GLU 657 HT1 GLU 657 19.386 -7.225 -1.621 2 H2 GLU 657 HT2 GLU 657 20.247 -8.571 -1.047 3 H3 GLU 657 HT3 GLU 657 20.815 -7.001 -0.736 4 HA GLU 657 HA GLU 657 18.392 -8.295 0.400 5 HB2 GLU 657 HB2 GLU 657 21.042 -7.251 1.442 6 HB3 GLU 657 HB1 GLU 657 19.718 -7.759 2.492 7 HG2 GLU 657 HG2 GLU 657 19.750 -9.992 1.326 8 HG3 GLU 657 HG1 GLU 657 21.207 -9.468 0.481 9 H LYS 658 HN LYS 658 16.909 -6.902 1.394 10 HA LYS 658 HA LYS 658 15.743 -4.875 1.749 11 HB2 LYS 658 HB2 LYS 658 18.625 -4.013 2.177 12 HB3 LYS 658 HB1 LYS 658 17.209 -3.118 2.730 13 HG2 LYS 658 HG2 LYS 658 16.771 -4.589 4.430 14 HG3 LYS 658 HG1 LYS 658 17.327 -5.984 3.504 15 HD2 LYS 658 HD2 LYS 658 19.636 -5.431 3.909 16 HD3 LYS 658 HD1 LYS 658 19.197 -3.873 4.607 17 HE2 LYS 658 HE2 LYS 658 18.360 -4.848 6.582 18 HE3 LYS 658 HE1 LYS 658 18.153 -6.435 5.816 19 HZ1 LYS 658 HZ1 LYS 658 20.487 -6.707 5.647 20 HZ2 LYS 658 HZ2 LYS 658 20.183 -6.220 7.246 21 HZ3 LYS 658 HZ3 LYS 658 20.788 -5.106 6.116 22 H ASP 659 HN ASP 659 16.067 -2.314 1.087 23 HA ASP 659 HA ASP 659 15.743 -2.177 -1.743 24 HB2 ASP 659 HB2 ASP 659 15.896 -0.397 0.590 25 HB3 ASP 659 HB1 ASP 659 16.464 0.366 -0.895 26 H LEU 660 HN LEU 660 17.232 -0.411 -2.968 27 HA LEU 660 HA LEU 660 19.887 -1.616 -3.146 28 HB2 LEU 660 HB2 LEU 660 18.596 0.771 -4.500 29 HB3 LEU 660 HB1 LEU 660 20.106 0.016 -5.009 30 HG LEU 660 HG LEU 660 17.616 -1.648 -4.724 31 HD11 LEU 660 HD11 LEU 660 17.123 0.360 -6.173 32 HD12 LEU 660 HD12 LEU 660 17.006 -1.186 -7.015 33 HD13 LEU 660 HD13 LEU 660 18.426 -0.165 -7.239 34 HD21 LEU 660 HD21 LEU 660 19.631 -2.896 -5.065 35 HD22 LEU 660 HD22 LEU 660 20.190 -1.782 -6.313 36 HD23 LEU 660 HD23 LEU 660 18.822 -2.850 -6.632 37 H LEU 661 HN LEU 661 18.491 1.317 -1.851 38 HA LEU 661 HA LEU 661 21.089 2.579 -1.319 39 HB2 LEU 661 HB2 LEU 661 18.180 3.177 -0.897 40 HB3 LEU 661 HB1 LEU 661 19.413 4.181 -0.142 41 HG LEU 661 HG LEU 661 18.418 4.558 -2.656 42 HD11 LEU 661 HD11 LEU 661 21.243 5.269 -1.854 43 HD12 LEU 661 HD12 LEU 661 19.822 6.058 -1.167 44 HD13 LEU 661 HD13 LEU 661 20.158 6.192 -2.894 45 HD21 LEU 661 HD21 LEU 661 19.533 2.532 -3.538 46 HD22 LEU 661 HD22 LEU 661 21.090 3.171 -3.010 47 HD23 LEU 661 HD23 LEU 661 20.178 3.997 -4.270 48 H ALA 662 HN ALA 662 20.106 -0.046 0.056 49 HA ALA 662 HA ALA 662 19.617 0.448 2.809 50 HB1 ALA 662 HB1 ALA 662 21.261 -1.901 2.063 51 HB2 ALA 662 HB2 ALA 662 19.777 -1.710 1.131 52 HB3 ALA 662 HB3 ALA 662 19.703 -1.841 2.888 53 H LEU 663 HN LEU 663 20.979 1.889 3.801 54 HA LEU 663 HA LEU 663 23.717 2.353 3.341 55 HB2 LEU 663 HB2 LEU 663 22.036 2.516 5.860 56 HB3 LEU 663 HB1 LEU 663 23.640 3.234 5.709 57 HG LEU 663 HG LEU 663 21.521 3.854 3.668 58 HD11 LEU 663 HD11 LEU 663 20.590 4.267 5.973 59 HD12 LEU 663 HD12 LEU 663 20.751 5.726 4.996 60 HD13 LEU 663 HD13 LEU 663 21.932 5.374 6.258 61 HD21 LEU 663 HD21 LEU 663 22.838 5.866 3.377 62 HD22 LEU 663 HD22 LEU 663 23.946 4.494 3.376 63 HD23 LEU 663 HD23 LEU 663 23.794 5.503 4.814 64 H ASP 664 HN ASP 664 22.174 -0.273 5.027 65 HA ASP 664 HA ASP 664 24.474 -1.183 6.538 66 HB2 ASP 664 HB2 ASP 664 21.863 -2.369 5.577 67 HB3 ASP 664 HB1 ASP 664 23.032 -3.342 6.471 68 H SER 665 HN SER 665 23.303 -1.610 3.255 69 HA SER 665 HA SER 665 25.308 -3.707 2.655 70 HB2 SER 665 HB2 SER 665 24.094 -3.813 0.533 71 HB3 SER 665 HB1 SER 665 22.935 -3.792 1.860 72 HG SER 665 HG SER 665 23.470 -1.907 -0.089 73 H TRP 666 HN TRP 666 24.766 -0.297 2.256 74 HA TRP 666 HA TRP 666 26.692 0.176 0.110 75 HB2 TRP 666 HB2 TRP 666 24.974 1.698 1.995 76 HB3 TRP 666 HB1 TRP 666 26.348 2.549 1.320 77 HD1 TRP 666 HD1 TRP 666 23.095 0.803 0.260 78 HE1 TRP 666 HE1 TRP 666 22.557 1.550 -2.157 79 HE3 TRP 666 HE3 TRP 666 27.305 3.387 -0.744 80 HZ2 TRP 666 HZ2 TRP 666 23.801 3.078 -4.260 81 HZ3 TRP 666 HZ3 TRP 666 27.648 4.494 -2.958 82 HH2 TRP 666 HH2 TRP 666 25.897 4.340 -4.711 83 H LYS 667 HN LYS 667 26.765 0.187 3.651 84 HA LYS 667 HA LYS 667 29.121 1.562 4.213 85 HB2 LYS 667 HB2 LYS 667 27.705 -0.819 5.341 86 HB3 LYS 667 HB1 LYS 667 29.322 -0.482 5.959 87 HG2 LYS 667 HG2 LYS 667 28.362 1.999 6.100 88 HG3 LYS 667 HG1 LYS 667 26.824 1.142 6.201 89 HD2 LYS 667 HD2 LYS 667 27.341 0.161 8.229 90 HD3 LYS 667 HD1 LYS 667 29.076 0.176 7.913 91 HE2 LYS 667 HE2 LYS 667 27.748 2.839 8.131 92 HE3 LYS 667 HE1 LYS 667 27.942 1.911 9.631 93 HZ1 LYS 667 HZ1 LYS 667 30.265 1.572 9.102 94 HZ2 LYS 667 HZ2 LYS 667 29.925 3.236 9.131 95 HZ3 LYS 667 HZ3 LYS 667 30.095 2.427 7.647 96 H ASN 668 HN ASN 668 28.793 -1.588 2.685 97 HA ASN 668 HA ASN 668 31.572 -2.398 2.885 98 HB2 ASN 668 HB2 ASN 668 29.134 -3.114 1.277 99 HB3 ASN 668 HB1 ASN 668 30.702 -3.750 0.775 100 HD21 ASN 668 HD21 ASN 668 28.422 -3.667 3.532 101 HD22 ASN 668 HD22 ASN 668 29.024 -5.069 4.277 102 H LEU 669 HN LEU 669 29.698 -0.650 0.387 103 HA LEU 669 HA LEU 669 31.903 -0.377 -1.474 104 HB2 LEU 669 HB2 LEU 669 29.252 -0.073 -1.599 105 HB3 LEU 669 HB1 LEU 669 29.680 1.609 -1.280 106 HG LEU 669 HG LEU 669 31.338 0.240 -3.320 107 HD11 LEU 669 HD11 LEU 669 29.080 -0.643 -3.834 108 HD12 LEU 669 HD12 LEU 669 29.640 0.477 -5.076 109 HD13 LEU 669 HD13 LEU 669 28.458 1.006 -3.879 110 HD21 LEU 669 HD21 LEU 669 30.990 2.449 -4.445 111 HD22 LEU 669 HD22 LEU 669 31.637 2.607 -2.812 112 HD23 LEU 669 HD23 LEU 669 29.929 2.920 -3.118 113 H TRP 670 HN TRP 670 30.621 1.723 1.151 114 HA TRP 670 HA TRP 670 32.326 3.948 0.562 115 HB2 TRP 670 HB2 TRP 670 30.865 2.929 3.007 116 HB3 TRP 670 HB1 TRP 670 31.814 4.408 3.077 117 HD1 TRP 670 HD1 TRP 670 28.825 4.646 3.595 118 HE1 TRP 670 HE1 TRP 670 27.267 5.938 2.001 119 HE3 TRP 670 HE3 TRP 670 31.601 4.490 -0.705 120 HZ2 TRP 670 HZ2 TRP 670 27.202 6.794 -0.719 121 HZ3 TRP 670 HZ3 TRP 670 30.762 5.555 -2.772 122 HH2 TRP 670 HH2 TRP 670 28.567 6.704 -2.787 123 H ASN 671 HN ASN 671 32.835 0.985 2.408 124 HA ASN 671 HA ASN 671 35.354 1.894 3.573 125 HB2 ASN 671 HB2 ASN 671 33.733 -0.628 3.396 126 HB3 ASN 671 HB1 ASN 671 35.399 -0.719 3.969 127 HD21 ASN 671 HD21 ASN 671 32.650 -0.922 5.413 128 HD22 ASN 671 HD22 ASN 671 32.812 0.148 6.721 129 H TRP 672 HN TRP 672 34.334 0.252 0.660 130 HA TRP 672 HA TRP 672 36.578 -1.155 -0.207 131 HB2 TRP 672 HB2 TRP 672 34.272 0.244 -1.334 132 HB3 TRP 672 HB1 TRP 672 35.627 0.199 -2.454 133 HD1 TRP 672 HD1 TRP 672 34.713 -2.567 0.073 134 HE1 TRP 672 HE1 TRP 672 34.209 -4.718 -1.260 135 HE3 TRP 672 HE3 TRP 672 35.023 -0.733 -4.656 136 HZ2 TRP 672 HZ2 TRP 672 33.975 -5.548 -3.998 137 HZ3 TRP 672 HZ3 TRP 672 34.658 -2.212 -6.621 138 HH2 TRP 672 HH2 TRP 672 34.133 -4.616 -6.295 139 H PHE 673 HN PHE 673 35.911 2.254 -1.083 140 HA PHE 673 HA PHE 673 38.470 2.799 -2.217 141 HB2 PHE 673 HB2 PHE 673 36.162 4.356 -1.106 142 HB3 PHE 673 HB1 PHE 673 37.647 5.223 -1.494 143 HD1 PHE 673 HD1 PHE 673 35.726 2.399 -3.064 144 HD2 PHE 673 HD2 PHE 673 37.580 6.239 -3.584 145 HE1 PHE 673 HE1 PHE 673 35.121 2.365 -5.468 146 HE2 PHE 673 HE2 PHE 673 36.974 6.205 -5.989 147 HZ PHE 673 HZ PHE 673 35.745 4.268 -6.930 148 H ASN 674 HN ASN 674 40.424 3.227 -1.252 149 HA ASN 674 HA ASN 674 40.523 3.359 1.724 150 HB2 ASN 674 HB2 ASN 674 41.878 1.877 -0.105 151 HB3 ASN 674 HB1 ASN 674 42.977 3.248 0.051 152 HD21 ASN 674 HD21 ASN 674 44.570 1.954 1.231 153 HD22 ASN 674 HD22 ASN 674 44.296 1.472 2.835 154 H ILE 675 HN ILE 675 39.589 5.732 0.541 155 HA ILE 675 HA ILE 675 41.627 7.649 -0.111 156 HB ILE 675 HB ILE 675 38.894 8.021 1.170 157 HG12 ILE 675 HG12 ILE 675 39.597 8.029 -1.775 158 HG13 ILE 675 HG11 ILE 675 38.966 6.609 -0.949 159 HG21 ILE 675 HG21 ILE 675 39.903 10.126 1.234 160 HG22 ILE 675 HG22 ILE 675 39.110 10.157 -0.340 161 HG23 ILE 675 HG23 ILE 675 40.841 9.832 -0.230 162 HD11 ILE 675 HD11 ILE 675 36.873 7.517 -0.677 163 HD12 ILE 675 HD12 ILE 675 37.348 8.383 -2.138 164 HD13 ILE 675 HD13 ILE 675 37.489 9.165 -0.564 165 H THR 676 HN THR 676 40.236 6.559 2.973 166 HA THR 676 HA THR 676 41.080 8.580 4.730 167 HB THR 676 HB THR 676 39.724 6.608 5.335 168 HG1 THR 676 HG1 THR 676 42.169 6.634 6.767 169 HG21 THR 676 HG21 THR 676 42.317 5.060 5.071 170 HG22 THR 676 HG22 THR 676 40.975 4.981 3.930 171 HG23 THR 676 HG23 THR 676 40.762 4.408 5.585 172 H ASN 677 HN ASN 677 43.035 6.219 3.034 173 HA ASN 677 HA ASN 677 45.444 6.715 4.660 174 HB2 ASN 677 HB2 ASN 677 44.747 5.182 2.146 175 HB3 ASN 677 HB1 ASN 677 46.411 5.313 2.715 176 HD21 ASN 677 HD21 ASN 677 46.845 4.475 4.969 177 HD22 ASN 677 HD22 ASN 677 45.866 3.232 5.584 178 H TRP 678 HN TRP 678 43.870 8.018 1.861 179 HA TRP 678 HA TRP 678 46.211 9.320 0.689 180 HB2 TRP 678 HB2 TRP 678 43.349 8.884 0.198 181 HB3 TRP 678 HB1 TRP 678 43.873 10.494 -0.265 182 HD1 TRP 678 HD1 TRP 678 44.780 6.815 -0.881 183 HE1 TRP 678 HE1 TRP 678 45.867 6.668 -3.226 184 HE3 TRP 678 HE3 TRP 678 44.907 11.728 -2.015 185 HZ2 TRP 678 HZ2 TRP 678 46.690 8.471 -5.328 186 HZ3 TRP 678 HZ3 TRP 678 45.839 12.532 -4.187 187 HH2 TRP 678 HH2 TRP 678 46.729 10.905 -5.840 188 H LEU 679 HN LEU 679 43.655 10.140 2.948 189 HA LEU 679 HA LEU 679 43.988 13.011 2.748 190 HB2 LEU 679 HB2 LEU 679 42.741 11.320 4.929 191 HB3 LEU 679 HB1 LEU 679 42.381 13.002 4.563 192 HG LEU 679 HG LEU 679 41.738 10.557 2.921 193 HD11 LEU 679 HD11 LEU 679 40.234 11.636 4.757 194 HD12 LEU 679 HD12 LEU 679 39.517 11.190 3.209 195 HD13 LEU 679 HD13 LEU 679 39.937 12.872 3.536 196 HD21 LEU 679 HD21 LEU 679 42.162 13.379 2.034 197 HD22 LEU 679 HD22 LEU 679 40.797 12.502 1.343 198 HD23 LEU 679 HD23 LEU 679 42.435 11.876 1.154 199 H TRP 680 HN TRP 680 45.598 10.518 4.555 200 HA TRP 680 HA TRP 680 46.480 11.805 6.877 201 HB2 TRP 680 HB2 TRP 680 47.344 9.651 5.080 202 HB3 TRP 680 HB1 TRP 680 48.680 10.383 5.965 203 HD1 TRP 680 HD1 TRP 680 45.858 8.003 6.353 204 HE1 TRP 680 HE1 TRP 680 45.648 7.259 8.812 205 HE3 TRP 680 HE3 TRP 680 48.981 11.384 8.566 206 HZ2 TRP 680 HZ2 TRP 680 46.671 8.001 11.379 207 HZ3 TRP 680 HZ3 TRP 680 49.345 11.343 11.017 208 HH2 TRP 680 HH2 TRP 680 48.195 9.657 12.425 209 H TYR 681 HN TYR 681 47.428 12.372 3.550 210 HA TYR 681 HA TYR 681 49.656 14.171 4.381 211 HB2 TYR 681 HB2 TYR 681 50.529 12.979 2.649 212 HB3 TYR 681 HB1 TYR 681 48.941 12.447 2.110 213 HD1 TYR 681 HD1 TYR 681 50.890 15.664 2.285 214 HD2 TYR 681 HD2 TYR 681 48.308 13.114 -0.013 215 HE1 TYR 681 HE1 TYR 681 50.992 17.263 0.393 216 HE2 TYR 681 HE2 TYR 681 48.409 14.713 -1.903 217 HH TYR 681 HH TYR 681 50.683 17.076 -2.190 218 H ILE 682 HN ILE 682 46.389 14.262 3.031 219 HA ILE 682 HA ILE 682 46.723 17.212 2.843 220 HB ILE 682 HB ILE 682 44.655 16.688 1.159 221 HG12 ILE 682 HG12 ILE 682 46.559 14.397 0.679 222 HG13 ILE 682 HG11 ILE 682 45.072 14.199 1.603 223 HG21 ILE 682 HG21 ILE 682 46.391 18.044 0.366 224 HG22 ILE 682 HG22 ILE 682 46.536 16.612 -0.652 225 HG23 ILE 682 HG23 ILE 682 47.623 16.832 0.720 226 HD11 ILE 682 HD11 ILE 682 43.926 15.338 -0.439 227 HD12 ILE 682 HD12 ILE 682 44.403 13.646 -0.579 228 HD13 ILE 682 HD13 ILE 682 45.402 14.906 -1.304 229 H LYS 683 HN LYS 683 43.765 15.363 2.510 230 HA LYS 683 HA LYS 683 42.337 17.039 4.384 231 HB2 LYS 683 HB2 LYS 683 41.741 15.308 2.331 232 HB3 LYS 683 HB1 LYS 683 41.245 14.372 3.740 233 HG2 LYS 683 HG2 LYS 683 39.880 16.272 4.527 234 HG3 LYS 683 HG1 LYS 683 40.369 17.206 3.113 235 HD2 LYS 683 HD2 LYS 683 39.342 15.530 1.632 236 HD3 LYS 683 HD1 LYS 683 38.869 14.572 3.035 237 HE2 LYS 683 HE2 LYS 683 37.687 16.783 3.825 238 HE3 LYS 683 HE1 LYS 683 37.775 17.216 2.106 239 HZ1 LYS 683 HZ1 LYS 683 36.741 15.140 1.527 240 HZ2 LYS 683 HZ2 LYS 683 35.753 15.942 2.653 241 HZ3 LYS 683 HZ3 LYS 683 36.724 14.639 3.147 Start of MODEL 10 1 H1 GLU 657 HT1 GLU 657 15.592 -9.399 2.237 2 H2 GLU 657 HT2 GLU 657 14.735 -8.127 1.505 3 H3 GLU 657 HT3 GLU 657 14.165 -8.819 2.948 4 HA GLU 657 HA GLU 657 15.218 -6.686 3.408 5 HB2 GLU 657 HB2 GLU 657 16.127 -9.352 4.345 6 HB3 GLU 657 HB1 GLU 657 17.141 -7.992 4.828 7 HG2 GLU 657 HG2 GLU 657 14.843 -6.872 5.454 8 HG3 GLU 657 HG1 GLU 657 14.265 -8.538 5.496 9 H LYS 658 HN LYS 658 16.066 -6.111 1.118 10 HA LYS 658 HA LYS 658 18.957 -5.722 1.270 11 HB2 LYS 658 HB2 LYS 658 17.710 -7.928 -0.257 12 HB3 LYS 658 HB1 LYS 658 18.890 -6.981 -1.163 13 HG2 LYS 658 HG2 LYS 658 20.255 -7.268 1.142 14 HG3 LYS 658 HG1 LYS 658 19.290 -8.743 1.200 15 HD2 LYS 658 HD2 LYS 658 21.115 -9.490 -0.023 16 HD3 LYS 658 HD1 LYS 658 20.056 -8.954 -1.328 17 HE2 LYS 658 HE2 LYS 658 21.229 -6.831 -1.495 18 HE3 LYS 658 HE1 LYS 658 22.206 -7.217 -0.063 19 HZ1 LYS 658 HZ1 LYS 658 23.174 -9.059 -1.166 20 HZ2 LYS 658 HZ2 LYS 658 23.286 -7.752 -2.245 21 HZ3 LYS 658 HZ3 LYS 658 22.099 -8.946 -2.472 22 H ASP 659 HN ASP 659 17.300 -3.674 1.154 23 HA ASP 659 HA ASP 659 16.226 -2.868 -1.366 24 HB2 ASP 659 HB2 ASP 659 17.238 -1.440 1.100 25 HB3 ASP 659 HB1 ASP 659 16.538 -0.555 -0.257 26 H LEU 660 HN LEU 660 17.324 -0.503 -2.126 27 HA LEU 660 HA LEU 660 19.940 -1.324 -3.251 28 HB2 LEU 660 HB2 LEU 660 18.185 1.077 -3.817 29 HB3 LEU 660 HB1 LEU 660 19.514 0.494 -4.818 30 HG LEU 660 HG LEU 660 17.930 -1.760 -4.544 31 HD11 LEU 660 HD11 LEU 660 16.281 0.213 -3.653 32 HD12 LEU 660 HD12 LEU 660 15.707 -1.233 -4.484 33 HD13 LEU 660 HD13 LEU 660 15.936 0.267 -5.382 34 HD21 LEU 660 HD21 LEU 660 19.025 -0.953 -6.603 35 HD22 LEU 660 HD22 LEU 660 17.851 0.358 -6.719 36 HD23 LEU 660 HD23 LEU 660 17.326 -1.315 -6.904 37 H LEU 661 HN LEU 661 18.533 1.558 -1.755 38 HA LEU 661 HA LEU 661 21.146 2.738 -1.189 39 HB2 LEU 661 HB2 LEU 661 18.253 3.385 -0.739 40 HB3 LEU 661 HB1 LEU 661 19.506 4.358 0.023 41 HG LEU 661 HG LEU 661 18.509 4.806 -2.469 42 HD11 LEU 661 HD11 LEU 661 21.367 5.399 -1.691 43 HD12 LEU 661 HD12 LEU 661 19.983 6.237 -0.990 44 HD13 LEU 661 HD13 LEU 661 20.313 6.371 -2.717 45 HD21 LEU 661 HD21 LEU 661 20.213 4.200 -4.123 46 HD22 LEU 661 HD22 LEU 661 19.535 2.748 -3.393 47 HD23 LEU 661 HD23 LEU 661 21.123 3.331 -2.891 48 H ALA 662 HN ALA 662 20.085 0.123 0.189 49 HA ALA 662 HA ALA 662 19.669 0.622 2.952 50 HB1 ALA 662 HB1 ALA 662 20.448 -1.768 3.132 51 HB2 ALA 662 HB2 ALA 662 20.927 -1.690 1.437 52 HB3 ALA 662 HB3 ALA 662 19.229 -1.525 1.882 53 H LEU 663 HN LEU 663 21.093 1.986 3.944 54 HA LEU 663 HA LEU 663 23.832 2.380 3.437 55 HB2 LEU 663 HB2 LEU 663 23.843 3.323 5.726 56 HB3 LEU 663 HB1 LEU 663 22.373 3.780 4.865 57 HG LEU 663 HG LEU 663 21.516 1.481 5.977 58 HD11 LEU 663 HD11 LEU 663 23.896 2.373 7.523 59 HD12 LEU 663 HD12 LEU 663 23.215 0.757 7.339 60 HD13 LEU 663 HD13 LEU 663 22.479 1.901 8.462 61 HD21 LEU 663 HD21 LEU 663 21.642 4.054 7.568 62 HD22 LEU 663 HD22 LEU 663 20.359 2.846 7.574 63 HD23 LEU 663 HD23 LEU 663 20.607 3.860 6.154 64 H ASP 664 HN ASP 664 22.242 -0.198 5.152 65 HA ASP 664 HA ASP 664 24.522 -1.227 6.594 66 HB2 ASP 664 HB2 ASP 664 21.999 -2.539 5.519 67 HB3 ASP 664 HB1 ASP 664 23.071 -3.257 6.721 68 H SER 665 HN SER 665 23.309 -1.583 3.309 69 HA SER 665 HA SER 665 25.287 -3.692 2.663 70 HB2 SER 665 HB2 SER 665 22.765 -3.416 1.928 71 HB3 SER 665 HB1 SER 665 23.448 -2.341 0.713 72 HG SER 665 HG SER 665 23.453 -5.037 0.828 73 H TRP 666 HN TRP 666 24.760 -0.275 2.273 74 HA TRP 666 HA TRP 666 26.678 0.186 0.119 75 HB2 TRP 666 HB2 TRP 666 24.991 1.721 2.021 76 HB3 TRP 666 HB1 TRP 666 26.364 2.560 1.332 77 HD1 TRP 666 HD1 TRP 666 23.084 0.846 0.310 78 HE1 TRP 666 HE1 TRP 666 22.515 1.613 -2.097 79 HE3 TRP 666 HE3 TRP 666 27.303 3.395 -0.742 80 HZ2 TRP 666 HZ2 TRP 666 23.747 3.138 -4.210 81 HZ3 TRP 666 HZ3 TRP 666 27.626 4.508 -2.956 82 HH2 TRP 666 HH2 TRP 666 25.847 4.381 -4.684 83 H LYS 667 HN LYS 667 26.771 0.198 3.658 84 HA LYS 667 HA LYS 667 29.138 1.555 4.209 85 HB2 LYS 667 HB2 LYS 667 27.666 -0.769 5.351 86 HB3 LYS 667 HB1 LYS 667 29.319 -0.548 5.925 87 HG2 LYS 667 HG2 LYS 667 28.683 1.913 6.306 88 HG3 LYS 667 HG1 LYS 667 27.010 1.393 6.100 89 HD2 LYS 667 HD2 LYS 667 27.231 -0.190 7.943 90 HD3 LYS 667 HD1 LYS 667 28.943 0.202 8.111 91 HE2 LYS 667 HE2 LYS 667 28.512 2.286 9.061 92 HE3 LYS 667 HE1 LYS 667 26.922 2.423 8.284 93 HZ1 LYS 667 HZ1 LYS 667 26.061 0.710 9.675 94 HZ2 LYS 667 HZ2 LYS 667 26.822 1.841 10.690 95 HZ3 LYS 667 HZ3 LYS 667 27.591 0.372 10.323 96 H ASN 668 HN ASN 668 28.785 -1.593 2.682 97 HA ASN 668 HA ASN 668 31.561 -2.420 2.873 98 HB2 ASN 668 HB2 ASN 668 29.133 -3.109 1.225 99 HB3 ASN 668 HB1 ASN 668 30.701 -3.793 0.795 100 HD21 ASN 668 HD21 ASN 668 28.008 -4.135 2.914 101 HD22 ASN 668 HD22 ASN 668 28.680 -5.307 3.941 102 H LEU 669 HN LEU 669 29.697 -0.641 0.393 103 HA LEU 669 HA LEU 669 31.904 -0.385 -1.473 104 HB2 LEU 669 HB2 LEU 669 29.249 -0.074 -1.592 105 HB3 LEU 669 HB1 LEU 669 29.691 1.609 -1.298 106 HG LEU 669 HG LEU 669 31.344 0.213 -3.318 107 HD11 LEU 669 HD11 LEU 669 28.381 0.634 -3.633 108 HD12 LEU 669 HD12 LEU 669 29.361 -0.750 -4.120 109 HD13 LEU 669 HD13 LEU 669 29.453 0.758 -5.028 110 HD21 LEU 669 HD21 LEU 669 31.389 2.346 -4.310 111 HD22 LEU 669 HD22 LEU 669 31.278 2.716 -2.589 112 HD23 LEU 669 HD23 LEU 669 29.839 2.809 -3.604 113 H TRP 670 HN TRP 670 30.621 1.722 1.146 114 HA TRP 670 HA TRP 670 32.324 3.946 0.552 115 HB2 TRP 670 HB2 TRP 670 30.860 2.934 2.996 116 HB3 TRP 670 HB1 TRP 670 31.811 4.411 3.067 117 HD1 TRP 670 HD1 TRP 670 28.827 4.662 3.581 118 HE1 TRP 670 HE1 TRP 670 27.274 5.955 1.985 119 HE3 TRP 670 HE3 TRP 670 31.602 4.483 -0.719 120 HZ2 TRP 670 HZ2 TRP 670 27.212 6.805 -0.738 121 HZ3 TRP 670 HZ3 TRP 670 30.767 5.546 -2.788 122 HH2 TRP 670 HH2 TRP 670 28.576 6.704 -2.806 123 H ASN 671 HN ASN 671 32.837 0.991 2.410 124 HA ASN 671 HA ASN 671 35.354 1.911 3.572 125 HB2 ASN 671 HB2 ASN 671 33.693 -0.575 3.446 126 HB3 ASN 671 HB1 ASN 671 35.383 -0.735 3.925 127 HD21 ASN 671 HD21 ASN 671 32.915 -1.032 5.630 128 HD22 ASN 671 HD22 ASN 671 33.104 0.091 6.890 129 H TRP 672 HN TRP 672 34.338 0.258 0.666 130 HA TRP 672 HA TRP 672 36.583 -1.152 -0.193 131 HB2 TRP 672 HB2 TRP 672 34.278 0.241 -1.328 132 HB3 TRP 672 HB1 TRP 672 35.635 0.195 -2.446 133 HD1 TRP 672 HD1 TRP 672 34.720 -2.565 0.089 134 HE1 TRP 672 HE1 TRP 672 34.222 -4.719 -1.238 135 HE3 TRP 672 HE3 TRP 672 35.038 -0.747 -4.647 136 HZ2 TRP 672 HZ2 TRP 672 33.997 -5.561 -3.973 137 HZ3 TRP 672 HZ3 TRP 672 34.681 -2.234 -6.607 138 HH2 TRP 672 HH2 TRP 672 34.159 -4.637 -6.273 139 H PHE 673 HN PHE 673 35.921 2.255 -1.082 140 HA PHE 673 HA PHE 673 38.480 2.794 -2.219 141 HB2 PHE 673 HB2 PHE 673 36.433 4.589 -0.877 142 HB3 PHE 673 HB1 PHE 673 37.744 5.164 -1.907 143 HD1 PHE 673 HD2 PHE 673 37.901 4.150 -4.295 144 HD2 PHE 673 HD1 PHE 673 34.387 3.939 -1.832 145 HE1 PHE 673 HE2 PHE 673 36.518 3.710 -6.305 146 HE2 PHE 673 HE1 PHE 673 33.004 3.500 -3.843 147 HZ PHE 673 HZ PHE 673 34.069 3.386 -6.080 148 H ASN 674 HN ASN 674 40.035 1.896 -0.676 149 HA ASN 674 HA ASN 674 40.307 3.434 1.879 150 HB2 ASN 674 HB2 ASN 674 41.193 0.712 0.904 151 HB3 ASN 674 HB1 ASN 674 41.848 1.424 2.378 152 HD21 ASN 674 HD21 ASN 674 39.953 -0.952 1.969 153 HD22 ASN 674 HD22 ASN 674 38.620 -0.600 2.960 154 H ILE 675 HN ILE 675 41.324 5.240 0.638 155 HA ILE 675 HA ILE 675 43.620 5.051 -1.009 156 HB ILE 675 HB ILE 675 43.513 7.270 0.991 157 HG12 ILE 675 HG12 ILE 675 41.124 6.953 0.759 158 HG13 ILE 675 HG11 ILE 675 41.583 8.329 -0.233 159 HG21 ILE 675 HG21 ILE 675 43.268 7.987 -1.804 160 HG22 ILE 675 HG22 ILE 675 44.575 6.826 -1.571 161 HG23 ILE 675 HG23 ILE 675 44.571 8.342 -0.672 162 HD11 ILE 675 HD11 ILE 675 40.845 7.325 -2.102 163 HD12 ILE 675 HD12 ILE 675 40.175 6.054 -1.080 164 HD13 ILE 675 HD13 ILE 675 41.790 5.879 -1.758 165 H THR 676 HN THR 676 43.391 5.095 2.541 166 HA THR 676 HA THR 676 46.134 5.305 3.165 167 HB THR 676 HB THR 676 43.920 3.643 4.425 168 HG1 THR 676 HG1 THR 676 44.859 6.259 4.983 169 HG21 THR 676 HG21 THR 676 45.322 4.092 6.516 170 HG22 THR 676 HG22 THR 676 46.625 4.537 5.414 171 HG23 THR 676 HG23 THR 676 45.960 2.903 5.381 172 H ASN 677 HN ASN 677 44.294 2.658 1.786 173 HA ASN 677 HA ASN 677 46.237 0.556 2.285 174 HB2 ASN 677 HB2 ASN 677 43.646 0.630 1.603 175 HB3 ASN 677 HB1 ASN 677 44.328 0.513 -0.020 176 HD21 ASN 677 HD21 ASN 677 44.724 -1.063 3.210 177 HD22 ASN 677 HD22 ASN 677 44.961 -2.621 2.580 178 H TRP 678 HN TRP 678 45.396 2.516 -0.611 179 HA TRP 678 HA TRP 678 47.826 1.510 -1.945 180 HB2 TRP 678 HB2 TRP 678 47.018 3.043 -3.798 181 HB3 TRP 678 HB1 TRP 678 46.085 1.627 -3.423 182 HD1 TRP 678 HD1 TRP 678 43.799 2.143 -1.886 183 HE1 TRP 678 HE1 TRP 678 42.165 4.114 -2.256 184 HE3 TRP 678 HE3 TRP 678 46.852 5.289 -4.413 185 HZ2 TRP 678 HZ2 TRP 678 42.188 6.726 -3.491 186 HZ3 TRP 678 HZ3 TRP 678 46.054 7.514 -5.193 187 HH2 TRP 678 HH2 TRP 678 43.723 8.232 -4.731 188 H LEU 679 HN LEU 679 46.963 4.168 -0.032 189 HA LEU 679 HA LEU 679 48.935 6.083 -0.992 190 HB2 LEU 679 HB2 LEU 679 47.289 5.650 1.501 191 HB3 LEU 679 HB1 LEU 679 48.530 6.898 1.473 192 HG LEU 679 HG LEU 679 46.184 6.674 -0.431 193 HD11 LEU 679 HD11 LEU 679 46.854 8.380 1.953 194 HD12 LEU 679 HD12 LEU 679 45.345 7.551 1.576 195 HD13 LEU 679 HD13 LEU 679 45.800 9.006 0.688 196 HD21 LEU 679 HD21 LEU 679 47.269 9.153 -0.789 197 HD22 LEU 679 HD22 LEU 679 47.641 7.764 -1.810 198 HD23 LEU 679 HD23 LEU 679 48.721 8.198 -0.486 199 H TRP 680 HN TRP 680 48.995 3.302 1.143 200 HA TRP 680 HA TRP 680 51.239 3.754 2.745 201 HB2 TRP 680 HB2 TRP 680 49.776 1.490 1.573 202 HB3 TRP 680 HB1 TRP 680 51.451 1.108 1.972 203 HD1 TRP 680 HD1 TRP 680 48.217 0.986 3.500 204 HE1 TRP 680 HE1 TRP 680 48.346 1.099 6.072 205 HE3 TRP 680 HE3 TRP 680 53.012 2.643 4.068 206 HZ2 TRP 680 HZ2 TRP 680 50.235 1.800 8.103 207 HZ3 TRP 680 HZ3 TRP 680 53.951 3.025 6.331 208 HH2 TRP 680 HH2 TRP 680 52.570 2.607 8.346 209 H TYR 681 HN TYR 681 51.104 3.242 -0.712 210 HA TYR 681 HA TYR 681 54.027 2.753 -0.908 211 HB2 TYR 681 HB2 TYR 681 53.075 1.374 -2.452 212 HB3 TYR 681 HB1 TYR 681 51.570 2.287 -2.462 213 HD1 TYR 681 HD1 TYR 681 55.150 2.813 -3.502 214 HD2 TYR 681 HD2 TYR 681 50.992 3.272 -4.474 215 HE1 TYR 681 HE1 TYR 681 55.769 3.820 -5.682 216 HE2 TYR 681 HE2 TYR 681 51.609 4.279 -6.652 217 HH TYR 681 HH TYR 681 53.885 5.615 -7.479 218 H ILE 682 HN ILE 682 51.668 5.342 -1.411 219 HA ILE 682 HA ILE 682 53.933 7.012 -2.381 220 HB ILE 682 HB ILE 682 51.735 8.290 -3.330 221 HG12 ILE 682 HG12 ILE 682 51.055 5.370 -3.677 222 HG13 ILE 682 HG11 ILE 682 50.338 6.352 -2.401 223 HG21 ILE 682 HG21 ILE 682 53.577 7.800 -4.755 224 HG22 ILE 682 HG22 ILE 682 52.191 6.991 -5.488 225 HG23 ILE 682 HG23 ILE 682 53.361 6.061 -4.552 226 HD11 ILE 682 HD11 ILE 682 49.187 7.711 -3.904 227 HD12 ILE 682 HD12 ILE 682 49.119 6.150 -4.721 228 HD13 ILE 682 HD13 ILE 682 50.299 7.359 -5.228 229 H LYS 683 HN LYS 683 50.702 8.058 -1.510 230 HA LYS 683 HA LYS 683 51.901 9.860 0.539 231 HB2 LYS 683 HB2 LYS 683 49.523 9.833 -1.267 232 HB3 LYS 683 HB1 LYS 683 49.362 10.704 0.259 233 HG2 LYS 683 HG2 LYS 683 50.219 12.368 -1.134 234 HG3 LYS 683 HG1 LYS 683 51.693 11.727 -0.407 235 HD2 LYS 683 HD2 LYS 683 51.749 10.107 -2.424 236 HD3 LYS 683 HD1 LYS 683 50.584 11.206 -3.164 237 HE2 LYS 683 HE2 LYS 683 52.168 12.800 -3.552 238 HE3 LYS 683 HE1 LYS 683 52.920 12.562 -1.963 239 HZ1 LYS 683 HZ1 LYS 683 53.188 10.784 -4.329 240 HZ2 LYS 683 HZ2 LYS 683 53.799 10.429 -2.783 241 HZ3 LYS 683 HZ3 LYS 683 54.405 11.754 -3.657
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