NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
526299 | 2l91 | 17433 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 685 HT1 PRO 685 48.887 -27.492 -3.350 2 H3 PRO 685 HT2 PRO 685 49.629 -28.938 -2.832 3 HA PRO 685 HA PRO 685 51.235 -27.435 -2.246 4 HB2 PRO 685 HB2 PRO 685 52.728 -27.431 -4.536 5 HB3 PRO 685 HB1 PRO 685 52.511 -28.883 -3.540 6 HG2 PRO 685 HG2 PRO 685 51.424 -28.323 -6.185 7 HG3 PRO 685 HG1 PRO 685 51.444 -29.848 -5.292 8 HD2 PRO 685 HD2 PRO 685 49.241 -27.892 -5.549 9 HD3 PRO 685 HD1 PRO 685 49.177 -29.567 -4.961 10 H GLU 686 HN GLU 686 51.530 -26.442 -5.562 11 HA GLU 686 HA GLU 686 51.237 -23.696 -4.744 12 HB2 GLU 686 HB2 GLU 686 52.391 -23.093 -6.612 13 HB3 GLU 686 HB1 GLU 686 52.912 -24.768 -6.537 14 HG2 GLU 686 HG2 GLU 686 50.920 -23.486 -8.412 15 HG3 GLU 686 HG1 GLU 686 52.318 -24.469 -8.788 16 H SER 687 HN SER 687 48.743 -25.420 -4.665 17 HA SER 687 HA SER 687 46.882 -24.903 -6.674 18 HB2 SER 687 HB2 SER 687 45.907 -25.794 -4.672 19 HB3 SER 687 HB1 SER 687 46.671 -24.573 -3.659 20 HG SER 687 HG SER 687 45.200 -23.112 -4.293 21 HA PRO 688 HA PRO 688 48.136 -20.840 -7.610 22 HB2 PRO 688 HB2 PRO 688 45.256 -19.970 -7.472 23 HB3 PRO 688 HB1 PRO 688 46.486 -19.588 -8.695 24 HG2 PRO 688 HG2 PRO 688 44.624 -21.447 -9.162 25 HG3 PRO 688 HG1 PRO 688 46.289 -21.646 -9.739 26 HD2 PRO 688 HD2 PRO 688 44.897 -23.073 -7.515 27 HD3 PRO 688 HD1 PRO 688 46.273 -23.606 -8.513 28 H LYS 689 HN LYS 689 49.181 -19.888 -6.152 29 HA LYS 689 HA LYS 689 48.345 -19.629 -3.432 30 HB2 LYS 689 HB2 LYS 689 50.572 -19.941 -3.302 31 HB3 LYS 689 HB1 LYS 689 50.797 -19.522 -4.984 32 HG2 LYS 689 HG2 LYS 689 50.377 -17.075 -3.423 33 HG3 LYS 689 HG1 LYS 689 51.631 -18.033 -2.690 34 HD2 LYS 689 HD2 LYS 689 51.583 -17.465 -5.656 35 HD3 LYS 689 HD1 LYS 689 52.345 -16.375 -4.501 36 HE2 LYS 689 HE2 LYS 689 53.678 -18.437 -5.676 37 HE3 LYS 689 HE1 LYS 689 54.094 -17.815 -4.082 38 HZ1 LYS 689 HZ1 LYS 689 53.869 -20.035 -3.656 39 HZ2 LYS 689 HZ2 LYS 689 52.640 -20.263 -4.806 40 HZ3 LYS 689 HZ3 LYS 689 52.292 -19.517 -3.323 41 H GLY 690 HN GLY 690 47.645 -18.194 -6.081 42 HA2 GLY 690 HA2 GLY 690 46.903 -15.672 -4.762 43 HA3 GLY 690 HA1 GLY 690 47.215 -15.821 -6.503 44 HA PRO 691 HA PRO 691 43.395 -18.665 -5.839 45 HB2 PRO 691 HB2 PRO 691 42.259 -17.861 -3.228 46 HB3 PRO 691 HB1 PRO 691 42.526 -19.495 -3.867 47 HG2 PRO 691 HG2 PRO 691 44.024 -18.327 -1.852 48 HG3 PRO 691 HG1 PRO 691 44.523 -19.715 -2.825 49 HD2 PRO 691 HD2 PRO 691 45.503 -16.928 -2.928 50 HD3 PRO 691 HD1 PRO 691 46.214 -18.409 -3.563 51 H ASP 692 HN ASP 692 42.100 -17.609 -7.031 52 HA ASP 692 HA ASP 692 42.536 -14.821 -7.264 53 HB2 ASP 692 HB2 ASP 692 40.520 -16.629 -8.639 54 HB3 ASP 692 HB1 ASP 692 40.709 -14.914 -9.003 55 H ILE 693 HN ILE 693 40.491 -16.921 -5.559 56 HA ILE 693 HA ILE 693 38.296 -15.293 -5.079 57 HB ILE 693 HB ILE 693 39.548 -17.421 -3.326 58 HG12 ILE 693 HG12 ILE 693 37.418 -17.839 -5.442 59 HG13 ILE 693 HG11 ILE 693 39.130 -18.117 -5.755 60 HG21 ILE 693 HG21 ILE 693 37.591 -15.912 -2.472 61 HG22 ILE 693 HG22 ILE 693 37.454 -17.655 -2.291 62 HG23 ILE 693 HG23 ILE 693 36.599 -16.837 -3.596 63 HD11 ILE 693 HD11 ILE 693 37.338 -19.559 -3.793 64 HD12 ILE 693 HD12 ILE 693 39.096 -19.644 -3.681 65 HD13 ILE 693 HD13 ILE 693 38.276 -20.243 -5.119 66 H LEU 694 HN LEU 694 41.185 -15.995 -3.079 67 HA LEU 694 HA LEU 694 40.529 -14.140 -1.033 68 HB2 LEU 694 HB2 LEU 694 43.057 -15.549 -1.860 69 HB3 LEU 694 HB1 LEU 694 43.127 -14.278 -0.644 70 HG LEU 694 HG LEU 694 41.248 -16.645 -0.427 71 HD11 LEU 694 HD11 LEU 694 44.116 -16.702 -0.188 72 HD12 LEU 694 HD12 LEU 694 42.964 -17.979 0.187 73 HD13 LEU 694 HD13 LEU 694 43.448 -16.842 1.437 74 HD21 LEU 694 HD21 LEU 694 40.483 -15.579 1.423 75 HD22 LEU 694 HD22 LEU 694 41.519 -14.201 1.063 76 HD23 LEU 694 HD23 LEU 694 42.108 -15.498 2.097 77 H VAL 695 HN VAL 695 42.601 -13.934 -3.976 78 HA VAL 695 HA VAL 695 43.458 -11.284 -3.421 79 HB VAL 695 HB VAL 695 43.287 -12.823 -6.023 80 HG11 VAL 695 HG11 VAL 695 44.592 -10.185 -5.311 81 HG12 VAL 695 HG12 VAL 695 43.364 -10.476 -6.544 82 HG13 VAL 695 HG13 VAL 695 44.996 -11.106 -6.760 83 HG21 VAL 695 HG21 VAL 695 44.817 -13.561 -3.993 84 HG22 VAL 695 HG22 VAL 695 45.814 -12.196 -4.496 85 HG23 VAL 695 HG23 VAL 695 45.490 -13.515 -5.621 86 H VAL 696 HN VAL 696 40.868 -12.693 -5.377 87 HA VAL 696 HA VAL 696 39.871 -10.211 -6.278 88 HB VAL 696 HB VAL 696 38.475 -12.883 -6.028 89 HG11 VAL 696 HG11 VAL 696 37.457 -10.188 -6.837 90 HG12 VAL 696 HG12 VAL 696 36.612 -11.535 -6.074 91 HG13 VAL 696 HG13 VAL 696 36.942 -11.573 -7.800 92 HG21 VAL 696 HG21 VAL 696 39.158 -13.267 -8.218 93 HG22 VAL 696 HG22 VAL 696 40.465 -12.168 -7.778 94 HG23 VAL 696 HG23 VAL 696 39.067 -11.563 -8.658 95 H LEU 697 HN LEU 697 39.215 -12.253 -3.435 96 HA LEU 697 HA LEU 697 37.045 -10.807 -2.419 97 HB2 LEU 697 HB2 LEU 697 37.958 -13.058 -1.624 98 HB3 LEU 697 HB1 LEU 697 39.151 -12.144 -0.721 99 HG LEU 697 HG LEU 697 37.246 -10.931 0.388 100 HD11 LEU 697 HD11 LEU 697 35.051 -12.453 0.210 101 HD12 LEU 697 HD12 LEU 697 35.693 -12.800 -1.392 102 HD13 LEU 697 HD13 LEU 697 35.333 -11.139 -0.924 103 HD21 LEU 697 HD21 LEU 697 38.381 -12.807 1.487 104 HD22 LEU 697 HD22 LEU 697 37.355 -13.957 0.630 105 HD23 LEU 697 HD23 LEU 697 36.653 -12.879 1.837 106 H LEU 698 HN LEU 698 40.540 -10.349 -1.895 107 HA LEU 698 HA LEU 698 40.275 -8.238 -0.011 108 HB2 LEU 698 HB2 LEU 698 42.539 -9.096 -1.829 109 HB3 LEU 698 HB1 LEU 698 42.687 -7.761 -0.691 110 HG LEU 698 HG LEU 698 41.820 -10.547 0.138 111 HD11 LEU 698 HD11 LEU 698 44.551 -9.464 -0.385 112 HD12 LEU 698 HD12 LEU 698 43.963 -11.125 -0.425 113 HD13 LEU 698 HD13 LEU 698 44.354 -10.371 1.117 114 HD21 LEU 698 HD21 LEU 698 41.213 -9.129 1.894 115 HD22 LEU 698 HD22 LEU 698 42.526 -7.996 1.584 116 HD23 LEU 698 HD23 LEU 698 42.858 -9.538 2.366 117 H SER 699 HN SER 699 40.833 -8.348 -3.529 118 HA SER 699 HA SER 699 40.902 -5.570 -3.955 119 HB2 SER 699 HB2 SER 699 40.326 -6.140 -6.281 120 HB3 SER 699 HB1 SER 699 41.572 -7.221 -5.655 121 HG SER 699 HG SER 699 39.783 -8.644 -5.079 122 H VAL 700 HN VAL 700 38.263 -7.906 -3.684 123 HA VAL 700 HA VAL 700 36.172 -6.178 -4.552 124 HB VAL 700 HB VAL 700 36.257 -8.664 -2.833 125 HG11 VAL 700 HG11 VAL 700 34.324 -7.532 -2.054 126 HG12 VAL 700 HG12 VAL 700 33.736 -8.692 -3.242 127 HG13 VAL 700 HG13 VAL 700 33.889 -6.989 -3.674 128 HG21 VAL 700 HG21 VAL 700 36.528 -8.403 -5.570 129 HG22 VAL 700 HG22 VAL 700 34.789 -8.633 -5.424 130 HG23 VAL 700 HG23 VAL 700 35.892 -9.834 -4.767 131 H MET 701 HN MET 701 37.502 -7.106 -1.412 132 HA MET 701 HA MET 701 35.820 -5.498 0.154 133 HB2 MET 701 HB2 MET 701 38.304 -7.031 0.524 134 HB3 MET 701 HB1 MET 701 38.274 -5.578 1.520 135 HG2 MET 701 HG2 MET 701 36.147 -6.237 2.505 136 HG3 MET 701 HG1 MET 701 36.030 -7.618 1.416 137 HE1 MET 701 HE1 MET 701 37.953 -5.723 3.883 138 HE2 MET 701 HE2 MET 701 39.495 -6.469 3.475 139 HE3 MET 701 HE3 MET 701 38.699 -6.883 4.990 140 H GLY 702 HN GLY 702 38.789 -4.832 -1.646 141 HA2 GLY 702 HA2 GLY 702 39.248 -2.220 -0.603 142 HA3 GLY 702 HA1 GLY 702 39.888 -2.869 -2.112 143 H ALA 703 HN ALA 703 37.545 -3.447 -3.481 144 HA ALA 703 HA ALA 703 36.894 -0.935 -4.569 145 HB1 ALA 703 HB1 ALA 703 34.820 -2.881 -5.155 146 HB2 ALA 703 HB2 ALA 703 36.398 -3.661 -5.203 147 HB3 ALA 703 HB3 ALA 703 36.081 -2.259 -6.222 148 H ILE 704 HN ILE 704 35.196 -3.002 -2.222 149 HA ILE 704 HA ILE 704 32.822 -1.496 -2.084 150 HB ILE 704 HB ILE 704 34.249 -3.180 -0.011 151 HG12 ILE 704 HG12 ILE 704 31.754 -3.770 -1.626 152 HG13 ILE 704 HG11 ILE 704 33.368 -4.246 -2.151 153 HG21 ILE 704 HG21 ILE 704 31.924 -3.224 1.052 154 HG22 ILE 704 HG22 ILE 704 31.540 -1.835 0.035 155 HG23 ILE 704 HG23 ILE 704 32.828 -1.721 1.234 156 HD11 ILE 704 HD11 ILE 704 31.773 -5.837 -0.638 157 HD12 ILE 704 HD12 ILE 704 32.647 -4.999 0.643 158 HD13 ILE 704 HD13 ILE 704 33.532 -5.907 -0.582 159 H LEU 705 HN LEU 705 35.882 -1.249 -0.272 160 HA LEU 705 HA LEU 705 35.047 0.844 1.419 161 HB2 LEU 705 HB2 LEU 705 37.333 -0.730 1.131 162 HB3 LEU 705 HB1 LEU 705 37.917 0.880 0.730 163 HG LEU 705 HG LEU 705 36.678 1.632 2.902 164 HD11 LEU 705 HD11 LEU 705 36.222 -0.024 4.540 165 HD12 LEU 705 HD12 LEU 705 37.108 -1.266 3.655 166 HD13 LEU 705 HD13 LEU 705 35.553 -0.697 3.055 167 HD21 LEU 705 HD21 LEU 705 39.104 -0.179 3.146 168 HD22 LEU 705 HD22 LEU 705 38.652 1.121 4.249 169 HD23 LEU 705 HD23 LEU 705 39.164 1.499 2.605 170 H LEU 706 HN LEU 706 36.716 0.918 -1.764 171 HA LEU 706 HA LEU 706 37.072 3.692 -1.892 172 HB2 LEU 706 HB2 LEU 706 37.948 1.755 -3.412 173 HB3 LEU 706 HB1 LEU 706 36.454 2.000 -4.307 174 HG LEU 706 HG LEU 706 37.066 4.458 -4.469 175 HD11 LEU 706 HD11 LEU 706 39.732 4.652 -4.289 176 HD12 LEU 706 HD12 LEU 706 39.508 3.400 -3.071 177 HD13 LEU 706 HD13 LEU 706 38.699 4.956 -2.898 178 HD21 LEU 706 HD21 LEU 706 38.968 3.933 -6.184 179 HD22 LEU 706 HD22 LEU 706 37.377 3.222 -6.451 180 HD23 LEU 706 HD23 LEU 706 38.672 2.247 -5.757 181 H ILE 707 HN ILE 707 34.365 1.638 -2.886 182 HA ILE 707 HA ILE 707 32.810 3.653 -4.109 183 HB ILE 707 HB ILE 707 31.999 1.039 -2.822 184 HG12 ILE 707 HG12 ILE 707 32.094 1.866 -5.734 185 HG13 ILE 707 HG11 ILE 707 33.450 1.089 -4.920 186 HG21 ILE 707 HG21 ILE 707 30.380 3.118 -4.314 187 HG22 ILE 707 HG22 ILE 707 30.027 2.388 -2.748 188 HG23 ILE 707 HG23 ILE 707 29.878 1.429 -4.220 189 HD11 ILE 707 HD11 ILE 707 31.847 -0.462 -6.182 190 HD12 ILE 707 HD12 ILE 707 30.674 -0.106 -4.913 191 HD13 ILE 707 HD13 ILE 707 32.198 -0.897 -4.509 192 H GLY 708 HN GLY 708 32.932 2.510 -0.771 193 HA2 GLY 708 HA2 GLY 708 30.752 4.073 0.168 194 HA3 GLY 708 HA1 GLY 708 31.994 3.328 1.170 195 H LEU 709 HN LEU 709 34.272 4.629 0.021 196 HA LEU 709 HA LEU 709 34.093 7.125 1.409 197 HB2 LEU 709 HB2 LEU 709 36.321 5.761 -0.111 198 HB3 LEU 709 HB1 LEU 709 36.514 7.303 0.724 199 HG LEU 709 HG LEU 709 35.360 4.951 2.223 200 HD11 LEU 709 HD11 LEU 709 38.314 5.457 1.757 201 HD12 LEU 709 HD12 LEU 709 37.396 4.056 1.205 202 HD13 LEU 709 HD13 LEU 709 37.652 4.318 2.930 203 HD21 LEU 709 HD21 LEU 709 37.314 6.939 3.357 204 HD22 LEU 709 HD22 LEU 709 35.935 6.155 4.124 205 HD23 LEU 709 HD23 LEU 709 35.678 7.496 3.016 206 H ALA 710 HN ALA 710 33.904 6.037 -1.903 207 HA ALA 710 HA ALA 710 34.680 8.227 -3.327 208 HB1 ALA 710 HB1 ALA 710 32.815 6.007 -3.733 209 HB2 ALA 710 HB2 ALA 710 33.971 6.710 -4.857 210 HB3 ALA 710 HB3 ALA 710 32.372 7.430 -4.674 211 HA PRO 711 HA PRO 711 30.476 10.471 -3.007 212 HB2 PRO 711 HB2 PRO 711 28.657 9.638 -1.114 213 HB3 PRO 711 HB1 PRO 711 28.678 9.042 -2.786 214 HG2 PRO 711 HG2 PRO 711 29.781 7.778 -0.317 215 HG3 PRO 711 HG1 PRO 711 28.899 7.036 -1.665 216 HD2 PRO 711 HD2 PRO 711 31.608 6.875 -1.434 217 HD3 PRO 711 HD1 PRO 711 30.794 6.914 -3.015 218 H LEU 712 HN LEU 712 31.862 9.198 -0.022 219 HA LEU 712 HA LEU 712 31.262 11.490 1.576 220 HB2 LEU 712 HB2 LEU 712 33.296 9.273 1.851 221 HB3 LEU 712 HB1 LEU 712 33.198 10.600 3.003 222 HG LEU 712 HG LEU 712 30.699 9.044 2.331 223 HD11 LEU 712 HD11 LEU 712 32.313 7.307 2.900 224 HD12 LEU 712 HD12 LEU 712 31.232 7.545 4.269 225 HD13 LEU 712 HD13 LEU 712 32.859 8.224 4.300 226 HD21 LEU 712 HD21 LEU 712 31.695 10.348 4.891 227 HD22 LEU 712 HD22 LEU 712 30.084 9.690 4.614 228 HD23 LEU 712 HD23 LEU 712 30.610 11.125 3.740 229 H LEU 713 HN LEU 713 34.024 10.440 -0.409 230 HA LEU 713 HA LEU 713 35.653 12.677 0.177 231 HB2 LEU 713 HB2 LEU 713 35.578 10.729 -2.118 232 HB3 LEU 713 HB1 LEU 713 36.772 12.018 -2.019 233 HG LEU 713 HG LEU 713 36.324 10.042 0.237 234 HD11 LEU 713 HD11 LEU 713 36.960 8.861 -1.877 235 HD12 LEU 713 HD12 LEU 713 38.195 8.743 -0.624 236 HD13 LEU 713 HD13 LEU 713 38.404 9.870 -1.965 237 HD21 LEU 713 HD21 LEU 713 38.408 12.129 -0.435 238 HD22 LEU 713 HD22 LEU 713 38.847 10.747 0.562 239 HD23 LEU 713 HD23 LEU 713 37.580 11.843 1.094 240 H ILE 714 HN ILE 714 33.332 11.968 -2.416 241 HA ILE 714 HA ILE 714 33.697 14.433 -3.789 242 HB ILE 714 HB ILE 714 31.366 12.504 -3.731 243 HG12 ILE 714 HG12 ILE 714 33.395 13.050 -5.909 244 HG13 ILE 714 HG11 ILE 714 33.615 11.789 -4.694 245 HG21 ILE 714 HG21 ILE 714 30.432 14.600 -4.390 246 HG22 ILE 714 HG22 ILE 714 30.762 13.743 -5.895 247 HG23 ILE 714 HG23 ILE 714 31.853 15.016 -5.347 248 HD11 ILE 714 HD11 ILE 714 31.532 10.716 -5.378 249 HD12 ILE 714 HD12 ILE 714 32.576 10.918 -6.785 250 HD13 ILE 714 HD13 ILE 714 31.215 12.011 -6.532 251 H TRP 715 HN TRP 715 31.319 13.338 -1.304 252 HA TRP 715 HA TRP 715 29.951 15.780 -1.174 253 HB2 TRP 715 HB2 TRP 715 28.990 13.723 -0.341 254 HB3 TRP 715 HB1 TRP 715 30.347 13.472 0.736 255 HD1 TRP 715 HD1 TRP 715 29.331 13.511 3.001 256 HE1 TRP 715 HE1 TRP 715 27.886 15.137 4.366 257 HE3 TRP 715 HE3 TRP 715 28.214 17.004 -0.600 258 HZ2 TRP 715 HZ2 TRP 715 26.464 17.567 4.008 259 HZ3 TRP 715 HZ3 TRP 715 26.816 18.952 -0.036 260 HH2 TRP 715 HH2 TRP 715 25.935 19.241 2.259 261 H ALA 716 HN ALA 716 32.642 14.384 0.675 262 HA ALA 716 HA ALA 716 33.116 16.506 2.416 263 HB1 ALA 716 HB1 ALA 716 35.191 14.698 1.170 264 HB2 ALA 716 HB2 ALA 716 34.274 14.341 2.635 265 HB3 ALA 716 HB3 ALA 716 35.409 15.687 2.609 266 H LEU 717 HN LEU 717 34.321 15.967 -0.889 267 HA LEU 717 HA LEU 717 35.961 18.255 -1.008 268 HB2 LEU 717 HB2 LEU 717 34.803 16.364 -3.004 269 HB3 LEU 717 HB1 LEU 717 35.389 17.906 -3.617 270 HG LEU 717 HG LEU 717 37.131 16.272 -1.767 271 HD11 LEU 717 HD11 LEU 717 36.799 14.590 -3.351 272 HD12 LEU 717 HD12 LEU 717 38.151 15.457 -4.074 273 HD13 LEU 717 HD13 LEU 717 36.512 15.730 -4.664 274 HD21 LEU 717 HD21 LEU 717 38.914 17.415 -3.105 275 HD22 LEU 717 HD22 LEU 717 37.838 18.564 -2.315 276 HD23 LEU 717 HD23 LEU 717 37.659 18.230 -4.036 277 H LEU 718 HN LEU 718 32.565 17.696 -1.893 278 HA LEU 718 HA LEU 718 32.174 20.312 -2.921 279 HB2 LEU 718 HB2 LEU 718 30.259 18.246 -1.836 280 HB3 LEU 718 HB1 LEU 718 29.726 19.809 -2.454 281 HG LEU 718 HG LEU 718 31.424 17.853 -4.033 282 HD11 LEU 718 HD11 LEU 718 28.435 18.243 -3.882 283 HD12 LEU 718 HD12 LEU 718 29.358 16.743 -3.781 284 HD13 LEU 718 HD13 LEU 718 29.202 17.579 -5.325 285 HD21 LEU 718 HD21 LEU 718 30.296 20.577 -4.562 286 HD22 LEU 718 HD22 LEU 718 30.215 19.425 -5.891 287 HD23 LEU 718 HD23 LEU 718 31.769 19.830 -5.171 288 H ILE 719 HN ILE 719 31.669 18.790 0.259 289 HA ILE 719 HA ILE 719 30.769 21.116 1.570 290 HB ILE 719 HB ILE 719 31.978 18.506 2.463 291 HG12 ILE 719 HG12 ILE 719 29.645 18.516 1.673 292 HG13 ILE 719 HG11 ILE 719 29.743 18.119 3.383 293 HG21 ILE 719 HG21 ILE 719 31.392 19.188 4.816 294 HG22 ILE 719 HG22 ILE 719 31.206 20.839 4.229 295 HG23 ILE 719 HG23 ILE 719 32.777 20.040 4.139 296 HD11 ILE 719 HD11 ILE 719 28.126 19.706 3.615 297 HD12 ILE 719 HD12 ILE 719 28.492 20.440 2.058 298 HD13 ILE 719 HD13 ILE 719 29.442 20.868 3.475 299 H THR 720 HN THR 720 33.991 19.587 1.247 300 HA THR 720 HA THR 720 35.360 21.550 2.782 301 HB THR 720 HB THR 720 36.441 20.043 0.384 302 HG1 THR 720 HG1 THR 720 35.410 18.945 2.401 303 HG21 THR 720 HG21 THR 720 37.703 21.412 2.758 304 HG22 THR 720 HG22 THR 720 37.982 21.727 1.046 305 HG23 THR 720 HG23 THR 720 38.570 20.233 1.775 306 H ILE 721 HN ILE 721 34.464 21.263 -0.632 307 HA ILE 721 HA ILE 721 35.755 23.686 -1.430 308 HB ILE 721 HB ILE 721 33.490 22.142 -2.675 309 HG12 ILE 721 HG12 ILE 721 36.173 21.505 -2.539 310 HG13 ILE 721 HG11 ILE 721 35.107 20.984 -3.836 311 HG21 ILE 721 HG21 ILE 721 33.150 24.382 -3.431 312 HG22 ILE 721 HG22 ILE 721 34.023 23.571 -4.727 313 HG23 ILE 721 HG23 ILE 721 34.883 24.651 -3.629 314 HD11 ILE 721 HD11 ILE 721 36.694 23.565 -3.938 315 HD12 ILE 721 HD12 ILE 721 35.838 22.776 -5.263 316 HD13 ILE 721 HD13 ILE 721 37.287 22.034 -4.586 317 H HIS 722 HN HIS 722 32.434 22.966 -0.388 318 HA HIS 722 HA HIS 722 31.559 25.706 -0.641 319 HB2 HIS 722 HB2 HIS 722 30.320 23.177 0.453 320 HB3 HIS 722 HB1 HIS 722 29.544 24.747 0.678 321 HD1 HIS 722 HD1 HIS 722 30.215 22.137 -1.895 322 HD2 HIS 722 HD2 HIS 722 28.810 26.063 -1.823 323 HE1 HIS 722 HE1 HIS 722 29.197 22.583 -4.174 324 H ASP 723 HN ASP 723 32.592 23.546 2.005 325 HA ASP 723 HA ASP 723 32.198 25.453 4.088 326 HB2 ASP 723 HB2 ASP 723 32.436 22.941 4.359 327 HB3 ASP 723 HB1 ASP 723 34.160 23.147 4.056 328 H ARG 724 HN ARG 724 35.145 24.346 2.326 329 HA ARG 724 HA ARG 724 36.690 26.552 3.390 330 HB2 ARG 724 HB2 ARG 724 37.608 24.343 2.262 331 HB3 ARG 724 HB1 ARG 724 37.287 25.190 0.749 332 HG2 ARG 724 HG2 ARG 724 38.619 27.149 2.179 333 HG3 ARG 724 HG1 ARG 724 39.400 25.692 2.790 334 HD2 ARG 724 HD2 ARG 724 40.687 26.312 0.903 335 HD3 ARG 724 HD1 ARG 724 39.657 25.008 0.321 336 HE ARG 724 HE ARG 724 38.408 26.577 -0.923 337 HH11 ARG 724 HH21 ARG 724 40.901 28.063 0.988 338 HH12 ARG 724 HH22 ARG 724 40.730 29.613 0.237 339 HH21 ARG 724 HH11 ARG 724 38.180 28.617 -1.883 340 HH22 ARG 724 HH12 ARG 724 39.194 29.928 -1.378 341 H LYS 725 HN LYS 725 36.944 28.588 2.158 342 HA LYS 725 HA LYS 725 35.452 28.907 -0.296 343 HB2 LYS 725 HB2 LYS 725 33.491 28.807 0.942 344 HB3 LYS 725 HB1 LYS 725 34.269 29.415 2.388 345 HG2 LYS 725 HG2 LYS 725 33.957 31.647 1.794 346 HG3 LYS 725 HG1 LYS 725 33.949 31.291 0.074 347 HD2 LYS 725 HD2 LYS 725 31.716 31.884 0.596 348 HD3 LYS 725 HD1 LYS 725 31.712 30.140 0.407 349 HE2 LYS 725 HE2 LYS 725 31.120 31.776 2.804 350 HE3 LYS 725 HE1 LYS 725 30.601 30.142 2.412 351 HZ1 LYS 725 HZ1 LYS 725 33.317 30.838 3.373 352 HZ2 LYS 725 HZ2 LYS 725 32.668 29.281 3.162 353 HZ3 LYS 725 HZ3 LYS 725 32.057 30.302 4.374 354 H GLU 726 HN GLU 726 37.675 29.746 1.943 355 HA GLU 726 HA GLU 726 39.467 31.226 1.541 356 HB2 GLU 726 HB2 GLU 726 38.351 31.968 -0.654 357 HB3 GLU 726 HB1 GLU 726 37.513 33.186 0.307 358 HG2 GLU 726 HG2 GLU 726 39.554 34.237 0.938 359 HG3 GLU 726 HG1 GLU 726 40.522 32.902 0.312 360 H PHE 727 HN PHE 727 39.819 33.534 2.506 361 HA PHE 727 HA PHE 727 39.352 35.140 4.142 362 HB2 PHE 727 HB2 PHE 727 37.106 33.466 5.265 363 HB3 PHE 727 HB1 PHE 727 37.384 35.191 5.424 364 HD1 PHE 727 HD1 PHE 727 37.939 35.899 2.528 365 HD2 PHE 727 HD2 PHE 727 34.937 33.392 4.315 366 HE1 PHE 727 HE1 PHE 727 36.439 36.326 0.610 367 HE2 PHE 727 HE2 PHE 727 33.436 33.829 2.390 368 HZ PHE 727 HZ PHE 727 34.188 35.292 0.538 Start of MODEL 2 1 H2 PRO 685 HT1 PRO 685 46.688 -10.467 -14.290 2 H3 PRO 685 HT2 PRO 685 46.455 -12.078 -14.782 3 HA PRO 685 HA PRO 685 48.172 -11.839 -16.138 4 HB2 PRO 685 HB2 PRO 685 47.141 -9.745 -17.857 5 HB3 PRO 685 HB1 PRO 685 47.250 -11.487 -18.174 6 HG2 PRO 685 HG2 PRO 685 44.907 -10.118 -17.785 7 HG3 PRO 685 HG1 PRO 685 45.117 -11.858 -17.543 8 HD2 PRO 685 HD2 PRO 685 44.961 -9.678 -15.500 9 HD3 PRO 685 HD1 PRO 685 44.422 -11.367 -15.391 10 H GLU 686 HN GLU 686 47.005 -8.468 -16.275 11 HA GLU 686 HA GLU 686 49.616 -7.358 -16.161 12 HB2 GLU 686 HB2 GLU 686 46.889 -6.138 -15.674 13 HB3 GLU 686 HB1 GLU 686 48.385 -5.205 -15.737 14 HG2 GLU 686 HG2 GLU 686 48.807 -5.975 -18.020 15 HG3 GLU 686 HG1 GLU 686 47.372 -6.995 -17.964 16 H SER 687 HN SER 687 47.142 -7.983 -13.737 17 HA SER 687 HA SER 687 49.073 -8.030 -11.630 18 HB2 SER 687 HB2 SER 687 47.200 -6.085 -10.696 19 HB3 SER 687 HB1 SER 687 48.950 -5.944 -10.845 20 HG SER 687 HG SER 687 47.757 -4.408 -12.117 21 HA PRO 688 HA PRO 688 44.596 -8.939 -9.974 22 HB2 PRO 688 HB2 PRO 688 43.066 -9.250 -12.486 23 HB3 PRO 688 HB1 PRO 688 42.620 -8.402 -10.995 24 HG2 PRO 688 HG2 PRO 688 43.244 -7.092 -13.242 25 HG3 PRO 688 HG1 PRO 688 43.637 -6.455 -11.635 26 HD2 PRO 688 HD2 PRO 688 45.435 -7.775 -13.636 27 HD3 PRO 688 HD1 PRO 688 45.772 -6.418 -12.540 28 H LYS 689 HN LYS 689 44.011 -11.064 -9.552 29 HA LYS 689 HA LYS 689 44.863 -13.103 -11.520 30 HB2 LYS 689 HB2 LYS 689 45.244 -13.118 -8.520 31 HB3 LYS 689 HB1 LYS 689 45.515 -14.516 -9.561 32 HG2 LYS 689 HG2 LYS 689 47.195 -13.248 -10.842 33 HG3 LYS 689 HG1 LYS 689 46.924 -11.843 -9.810 34 HD2 LYS 689 HD2 LYS 689 47.649 -13.139 -7.842 35 HD3 LYS 689 HD1 LYS 689 47.917 -14.549 -8.868 36 HE2 LYS 689 HE2 LYS 689 49.600 -13.296 -10.162 37 HE3 LYS 689 HE1 LYS 689 49.330 -11.880 -9.146 38 HZ1 LYS 689 HZ1 LYS 689 51.034 -12.773 -8.000 39 HZ2 LYS 689 HZ2 LYS 689 50.740 -14.353 -8.550 40 HZ3 LYS 689 HZ3 LYS 689 49.806 -13.701 -7.289 41 H GLY 690 HN GLY 690 43.588 -14.918 -11.707 42 HA2 GLY 690 HA2 GLY 690 40.896 -14.674 -10.561 43 HA3 GLY 690 HA1 GLY 690 41.345 -15.661 -11.947 44 HA PRO 691 HA PRO 691 42.301 -19.316 -9.658 45 HB2 PRO 691 HB2 PRO 691 45.198 -18.708 -9.274 46 HB3 PRO 691 HB1 PRO 691 44.429 -20.146 -9.971 47 HG2 PRO 691 HG2 PRO 691 45.624 -18.355 -11.517 48 HG3 PRO 691 HG1 PRO 691 44.123 -19.150 -12.026 49 HD2 PRO 691 HD2 PRO 691 44.526 -16.364 -11.003 50 HD3 PRO 691 HD1 PRO 691 43.393 -16.957 -12.240 51 H ASP 692 HN ASP 692 44.040 -16.550 -8.260 52 HA ASP 692 HA ASP 692 43.946 -17.660 -5.588 53 HB2 ASP 692 HB2 ASP 692 44.836 -15.006 -6.703 54 HB3 ASP 692 HB1 ASP 692 44.826 -15.353 -4.975 55 H ILE 693 HN ILE 693 42.053 -17.827 -4.688 56 HA ILE 693 HA ILE 693 39.778 -16.203 -5.127 57 HB ILE 693 HB ILE 693 40.464 -18.176 -2.942 58 HG12 ILE 693 HG12 ILE 693 38.520 -18.395 -5.256 59 HG13 ILE 693 HG11 ILE 693 40.188 -18.958 -5.349 60 HG21 ILE 693 HG21 ILE 693 38.779 -17.087 -1.842 61 HG22 ILE 693 HG22 ILE 693 37.754 -18.015 -2.938 62 HG23 ILE 693 HG23 ILE 693 38.162 -16.341 -3.315 63 HD11 ILE 693 HD11 ILE 693 38.724 -19.874 -2.957 64 HD12 ILE 693 HD12 ILE 693 39.777 -20.777 -4.046 65 HD13 ILE 693 HD13 ILE 693 38.092 -20.494 -4.483 66 H LEU 694 HN LEU 694 42.203 -16.340 -2.588 67 HA LEU 694 HA LEU 694 41.069 -14.431 -0.855 68 HB2 LEU 694 HB2 LEU 694 43.930 -15.302 -1.291 69 HB3 LEU 694 HB1 LEU 694 43.436 -14.213 0.002 70 HG LEU 694 HG LEU 694 42.263 -16.977 -0.430 71 HD11 LEU 694 HD11 LEU 694 44.306 -17.648 0.317 72 HD12 LEU 694 HD12 LEU 694 43.676 -17.148 1.886 73 HD13 LEU 694 HD13 LEU 694 44.706 -16.056 0.961 74 HD21 LEU 694 HD21 LEU 694 41.814 -16.413 2.160 75 HD22 LEU 694 HD22 LEU 694 40.682 -15.944 0.893 76 HD23 LEU 694 HD23 LEU 694 41.825 -14.766 1.534 77 H VAL 695 HN VAL 695 43.238 -14.164 -3.625 78 HA VAL 695 HA VAL 695 43.877 -11.413 -3.290 79 HB VAL 695 HB VAL 695 43.822 -13.166 -5.751 80 HG11 VAL 695 HG11 VAL 695 44.500 -10.268 -5.361 81 HG12 VAL 695 HG12 VAL 695 43.659 -11.043 -6.704 82 HG13 VAL 695 HG13 VAL 695 45.407 -11.214 -6.541 83 HG21 VAL 695 HG21 VAL 695 46.236 -12.013 -4.369 84 HG22 VAL 695 HG22 VAL 695 46.126 -13.453 -5.381 85 HG23 VAL 695 HG23 VAL 695 45.478 -13.476 -3.741 86 H VAL 696 HN VAL 696 41.383 -13.106 -5.122 87 HA VAL 696 HA VAL 696 40.199 -10.816 -6.278 88 HB VAL 696 HB VAL 696 39.069 -13.550 -5.637 89 HG11 VAL 696 HG11 VAL 696 37.886 -11.154 -7.040 90 HG12 VAL 696 HG12 VAL 696 37.159 -12.165 -5.792 91 HG13 VAL 696 HG13 VAL 696 37.358 -12.791 -7.428 92 HG21 VAL 696 HG21 VAL 696 39.732 -14.162 -7.761 93 HG22 VAL 696 HG22 VAL 696 40.980 -12.961 -7.427 94 HG23 VAL 696 HG23 VAL 696 39.572 -12.525 -8.396 95 H LEU 697 HN LEU 697 39.560 -12.635 -3.279 96 HA LEU 697 HA LEU 697 37.298 -11.125 -2.493 97 HB2 LEU 697 HB2 LEU 697 39.306 -12.721 -0.906 98 HB3 LEU 697 HB1 LEU 697 37.894 -11.968 -0.170 99 HG LEU 697 HG LEU 697 37.741 -13.869 -2.529 100 HD11 LEU 697 HD11 LEU 697 38.676 -14.979 -0.505 101 HD12 LEU 697 HD12 LEU 697 37.079 -15.593 -0.932 102 HD13 LEU 697 HD13 LEU 697 37.259 -14.457 0.405 103 HD21 LEU 697 HD21 LEU 697 35.624 -13.083 -2.592 104 HD22 LEU 697 HD22 LEU 697 35.811 -12.222 -1.066 105 HD23 LEU 697 HD23 LEU 697 35.368 -13.927 -1.068 106 H LEU 698 HN LEU 698 40.750 -10.643 -1.807 107 HA LEU 698 HA LEU 698 40.412 -8.496 0.014 108 HB2 LEU 698 HB2 LEU 698 42.727 -9.317 -1.746 109 HB3 LEU 698 HB1 LEU 698 42.820 -7.946 -0.644 110 HG LEU 698 HG LEU 698 42.045 -10.755 0.214 111 HD11 LEU 698 HD11 LEU 698 44.359 -10.740 -0.611 112 HD12 LEU 698 HD12 LEU 698 44.338 -10.890 1.147 113 HD13 LEU 698 HD13 LEU 698 44.722 -9.340 0.398 114 HD21 LEU 698 HD21 LEU 698 43.114 -9.359 2.365 115 HD22 LEU 698 HD22 LEU 698 41.398 -9.623 2.066 116 HD23 LEU 698 HD23 LEU 698 42.164 -8.131 1.529 117 H SER 699 HN SER 699 40.901 -8.664 -3.474 118 HA SER 699 HA SER 699 41.008 -5.889 -3.946 119 HB2 SER 699 HB2 SER 699 40.443 -6.533 -6.286 120 HB3 SER 699 HB1 SER 699 41.754 -7.502 -5.614 121 HG SER 699 HG SER 699 40.018 -9.014 -4.999 122 H VAL 700 HN VAL 700 38.379 -8.187 -3.601 123 HA VAL 700 HA VAL 700 36.284 -6.511 -4.557 124 HB VAL 700 HB VAL 700 36.258 -8.855 -2.641 125 HG11 VAL 700 HG11 VAL 700 33.743 -8.781 -3.467 126 HG12 VAL 700 HG12 VAL 700 34.089 -7.064 -3.673 127 HG13 VAL 700 HG13 VAL 700 34.259 -7.812 -2.085 128 HG21 VAL 700 HG21 VAL 700 34.940 -9.129 -5.227 129 HG22 VAL 700 HG22 VAL 700 36.182 -10.146 -4.495 130 HG23 VAL 700 HG23 VAL 700 36.644 -8.710 -5.407 131 H MET 701 HN MET 701 37.630 -7.182 -1.359 132 HA MET 701 HA MET 701 35.886 -5.526 0.108 133 HB2 MET 701 HB2 MET 701 38.688 -6.528 0.624 134 HB3 MET 701 HB1 MET 701 37.823 -5.518 1.782 135 HG2 MET 701 HG2 MET 701 35.992 -7.162 1.870 136 HG3 MET 701 HG1 MET 701 36.826 -8.166 0.686 137 HE1 MET 701 HE1 MET 701 36.973 -10.286 1.981 138 HE2 MET 701 HE2 MET 701 35.900 -9.521 3.149 139 HE3 MET 701 HE3 MET 701 37.322 -10.395 3.712 140 H GLY 702 HN GLY 702 38.960 -4.939 -1.551 141 HA2 GLY 702 HA2 GLY 702 39.389 -2.298 -0.605 142 HA3 GLY 702 HA1 GLY 702 40.051 -2.976 -2.090 143 H ALA 703 HN ALA 703 37.681 -3.559 -3.454 144 HA ALA 703 HA ALA 703 37.079 -1.083 -4.661 145 HB1 ALA 703 HB1 ALA 703 36.550 -3.798 -5.162 146 HB2 ALA 703 HB2 ALA 703 36.175 -2.426 -6.206 147 HB3 ALA 703 HB3 ALA 703 34.973 -3.013 -5.058 148 H ILE 704 HN ILE 704 35.324 -3.014 -2.234 149 HA ILE 704 HA ILE 704 32.970 -1.447 -2.216 150 HB ILE 704 HB ILE 704 34.229 -3.147 -0.040 151 HG12 ILE 704 HG12 ILE 704 31.842 -3.690 -1.831 152 HG13 ILE 704 HG11 ILE 704 33.477 -4.224 -2.220 153 HG21 ILE 704 HG21 ILE 704 32.754 -2.033 1.296 154 HG22 ILE 704 HG22 ILE 704 31.550 -3.049 0.504 155 HG23 ILE 704 HG23 ILE 704 31.837 -1.408 -0.074 156 HD11 ILE 704 HD11 ILE 704 32.012 -5.928 -1.013 157 HD12 ILE 704 HD12 ILE 704 32.140 -4.890 0.406 158 HD13 ILE 704 HD13 ILE 704 33.587 -5.617 -0.288 159 H LEU 705 HN LEU 705 35.946 -1.240 -0.266 160 HA LEU 705 HA LEU 705 35.103 0.825 1.444 161 HB2 LEU 705 HB2 LEU 705 37.098 -0.540 1.882 162 HB3 LEU 705 HB1 LEU 705 37.897 0.149 0.471 163 HG LEU 705 HG LEU 705 37.838 2.380 1.494 164 HD11 LEU 705 HD11 LEU 705 35.945 2.530 2.837 165 HD12 LEU 705 HD12 LEU 705 37.191 2.281 4.059 166 HD13 LEU 705 HD13 LEU 705 36.189 0.928 3.535 167 HD21 LEU 705 HD21 LEU 705 38.916 1.137 3.844 168 HD22 LEU 705 HD22 LEU 705 39.786 1.838 2.480 169 HD23 LEU 705 HD23 LEU 705 39.313 0.139 2.445 170 H LEU 706 HN LEU 706 36.759 0.961 -1.721 171 HA LEU 706 HA LEU 706 37.162 3.758 -1.763 172 HB2 LEU 706 HB2 LEU 706 38.351 2.235 -3.267 173 HB3 LEU 706 HB1 LEU 706 36.841 1.824 -4.077 174 HG LEU 706 HG LEU 706 36.580 4.171 -4.799 175 HD11 LEU 706 HD11 LEU 706 38.830 5.541 -4.463 176 HD12 LEU 706 HD12 LEU 706 38.988 4.502 -3.046 177 HD13 LEU 706 HD13 LEU 706 37.579 5.548 -3.219 178 HD21 LEU 706 HD21 LEU 706 39.293 3.929 -5.735 179 HD22 LEU 706 HD22 LEU 706 37.793 3.618 -6.610 180 HD23 LEU 706 HD23 LEU 706 38.550 2.331 -5.673 181 H ILE 707 HN ILE 707 34.498 1.748 -2.862 182 HA ILE 707 HA ILE 707 33.018 3.768 -4.171 183 HB ILE 707 HB ILE 707 32.150 1.152 -2.930 184 HG12 ILE 707 HG12 ILE 707 32.386 1.950 -5.845 185 HG13 ILE 707 HG11 ILE 707 33.709 1.196 -4.962 186 HG21 ILE 707 HG21 ILE 707 30.132 1.584 -4.502 187 HG22 ILE 707 HG22 ILE 707 30.620 3.278 -4.408 188 HG23 ILE 707 HG23 ILE 707 30.173 2.404 -2.942 189 HD11 ILE 707 HD11 ILE 707 31.139 -0.186 -4.622 190 HD12 ILE 707 HD12 ILE 707 32.725 -0.849 -5.017 191 HD13 ILE 707 HD13 ILE 707 31.712 -0.166 -6.289 192 H GLY 708 HN GLY 708 32.905 2.624 -0.818 193 HA2 GLY 708 HA2 GLY 708 30.674 4.207 -0.030 194 HA3 GLY 708 HA1 GLY 708 31.838 3.452 1.059 195 H LEU 709 HN LEU 709 34.158 4.677 0.058 196 HA LEU 709 HA LEU 709 34.153 7.124 1.479 197 HB2 LEU 709 HB2 LEU 709 36.213 5.805 -0.290 198 HB3 LEU 709 HB1 LEU 709 36.505 7.309 0.578 199 HG LEU 709 HG LEU 709 35.627 4.723 1.900 200 HD11 LEU 709 HD11 LEU 709 37.911 4.628 0.844 201 HD12 LEU 709 HD12 LEU 709 37.922 4.439 2.599 202 HD13 LEU 709 HD13 LEU 709 38.382 5.980 1.874 203 HD21 LEU 709 HD21 LEU 709 36.787 6.172 3.851 204 HD22 LEU 709 HD22 LEU 709 35.071 6.307 3.478 205 HD23 LEU 709 HD23 LEU 709 36.205 7.497 2.846 206 H ALA 710 HN ALA 710 33.984 6.269 -1.942 207 HA ALA 710 HA ALA 710 34.694 8.687 -3.074 208 HB1 ALA 710 HB1 ALA 710 34.275 7.412 -4.845 209 HB2 ALA 710 HB2 ALA 710 32.589 7.890 -4.689 210 HB3 ALA 710 HB3 ALA 710 33.157 6.388 -3.950 211 HA PRO 711 HA PRO 711 30.156 10.455 -2.839 212 HB2 PRO 711 HB2 PRO 711 29.222 9.011 -0.410 213 HB3 PRO 711 HB1 PRO 711 28.313 9.500 -1.852 214 HG2 PRO 711 HG2 PRO 711 29.025 6.962 -1.391 215 HG3 PRO 711 HG1 PRO 711 28.911 7.642 -3.022 216 HD2 PRO 711 HD2 PRO 711 31.335 6.948 -1.450 217 HD3 PRO 711 HD1 PRO 711 31.088 7.017 -3.202 218 H LEU 712 HN LEU 712 31.706 9.312 0.175 219 HA LEU 712 HA LEU 712 31.167 11.650 1.697 220 HB2 LEU 712 HB2 LEU 712 33.264 9.487 1.966 221 HB3 LEU 712 HB1 LEU 712 33.062 10.786 3.139 222 HG LEU 712 HG LEU 712 30.839 8.900 2.299 223 HD11 LEU 712 HD11 LEU 712 32.898 8.741 4.476 224 HD12 LEU 712 HD12 LEU 712 32.265 7.459 3.442 225 HD13 LEU 712 HD13 LEU 712 31.283 8.093 4.764 226 HD21 LEU 712 HD21 LEU 712 29.590 10.495 3.321 227 HD22 LEU 712 HD22 LEU 712 31.004 11.292 4.006 228 HD23 LEU 712 HD23 LEU 712 30.294 9.903 4.824 229 H LEU 713 HN LEU 713 33.938 10.570 -0.260 230 HA LEU 713 HA LEU 713 35.547 12.848 0.255 231 HB2 LEU 713 HB2 LEU 713 35.507 10.855 -2.017 232 HB3 LEU 713 HB1 LEU 713 36.715 12.131 -1.881 233 HG LEU 713 HG LEU 713 36.155 10.095 0.297 234 HD11 LEU 713 HD11 LEU 713 37.035 9.050 -1.792 235 HD12 LEU 713 HD12 LEU 713 38.167 8.941 -0.443 236 HD13 LEU 713 HD13 LEU 713 38.422 10.137 -1.714 237 HD21 LEU 713 HD21 LEU 713 37.847 12.487 0.073 238 HD22 LEU 713 HD22 LEU 713 38.749 11.050 0.547 239 HD23 LEU 713 HD23 LEU 713 37.369 11.579 1.506 240 H ILE 714 HN ILE 714 33.237 12.018 -2.300 241 HA ILE 714 HA ILE 714 33.581 14.387 -3.817 242 HB ILE 714 HB ILE 714 31.249 12.471 -3.590 243 HG12 ILE 714 HG12 ILE 714 33.257 12.866 -5.827 244 HG13 ILE 714 HG11 ILE 714 33.475 11.679 -4.540 245 HG21 ILE 714 HG21 ILE 714 30.965 13.712 -6.001 246 HG22 ILE 714 HG22 ILE 714 31.573 15.045 -5.018 247 HG23 ILE 714 HG23 ILE 714 30.101 14.199 -4.543 248 HD11 ILE 714 HD11 ILE 714 30.807 11.559 -5.737 249 HD12 ILE 714 HD12 ILE 714 31.968 10.263 -5.455 250 HD13 ILE 714 HD13 ILE 714 32.090 11.255 -6.908 251 H TRP 715 HN TRP 715 31.281 13.478 -1.240 252 HA TRP 715 HA TRP 715 29.857 15.922 -1.254 253 HB2 TRP 715 HB2 TRP 715 28.913 13.963 -0.188 254 HB3 TRP 715 HB1 TRP 715 30.287 13.847 0.910 255 HD1 TRP 715 HD1 TRP 715 30.105 15.098 3.126 256 HE1 TRP 715 HE1 TRP 715 28.476 16.831 4.119 257 HE3 TRP 715 HE3 TRP 715 27.266 16.106 -0.998 258 HZ2 TRP 715 HZ2 TRP 715 26.260 18.433 3.277 259 HZ3 TRP 715 HZ3 TRP 715 25.405 17.738 -0.875 260 HH2 TRP 715 HH2 TRP 715 24.899 18.902 1.255 261 H ALA 716 HN ALA 716 32.572 14.703 0.669 262 HA ALA 716 HA ALA 716 32.910 16.963 2.298 263 HB1 ALA 716 HB1 ALA 716 34.995 14.985 1.342 264 HB2 ALA 716 HB2 ALA 716 33.978 14.802 2.771 265 HB3 ALA 716 HB3 ALA 716 35.176 16.093 2.703 266 H LEU 717 HN LEU 717 34.201 16.190 -0.911 267 HA LEU 717 HA LEU 717 36.026 18.302 -1.103 268 HB2 LEU 717 HB2 LEU 717 35.974 16.342 -2.619 269 HB3 LEU 717 HB1 LEU 717 34.454 16.917 -3.292 270 HG LEU 717 HG LEU 717 35.581 18.998 -4.027 271 HD11 LEU 717 HD11 LEU 717 37.873 17.700 -2.599 272 HD12 LEU 717 HD12 LEU 717 37.403 19.397 -2.640 273 HD13 LEU 717 HD13 LEU 717 38.216 18.676 -4.026 274 HD21 LEU 717 HD21 LEU 717 35.707 17.712 -5.885 275 HD22 LEU 717 HD22 LEU 717 36.194 16.290 -4.963 276 HD23 LEU 717 HD23 LEU 717 37.400 17.479 -5.454 277 H LEU 718 HN LEU 718 32.600 18.039 -2.132 278 HA LEU 718 HA LEU 718 32.452 20.700 -3.126 279 HB2 LEU 718 HB2 LEU 718 30.428 18.642 -2.326 280 HB3 LEU 718 HB1 LEU 718 29.904 20.300 -2.588 281 HG LEU 718 HG LEU 718 29.803 18.673 -4.596 282 HD11 LEU 718 HD11 LEU 718 29.440 20.732 -5.441 283 HD12 LEU 718 HD12 LEU 718 31.126 20.672 -5.953 284 HD13 LEU 718 HD13 LEU 718 30.693 21.466 -4.441 285 HD21 LEU 718 HD21 LEU 718 31.751 18.141 -5.773 286 HD22 LEU 718 HD22 LEU 718 32.265 17.930 -4.109 287 HD23 LEU 718 HD23 LEU 718 32.702 19.392 -4.984 288 H ILE 719 HN ILE 719 31.677 19.257 0.022 289 HA ILE 719 HA ILE 719 30.777 21.663 1.222 290 HB ILE 719 HB ILE 719 31.887 19.113 2.406 291 HG12 ILE 719 HG12 ILE 719 29.717 18.893 1.248 292 HG13 ILE 719 HG11 ILE 719 29.535 18.673 2.983 293 HG21 ILE 719 HG21 ILE 719 31.078 21.682 3.674 294 HG22 ILE 719 HG22 ILE 719 32.278 20.497 4.189 295 HG23 ILE 719 HG23 ILE 719 30.563 20.193 4.467 296 HD11 ILE 719 HD11 ILE 719 28.493 20.824 1.225 297 HD12 ILE 719 HD12 ILE 719 29.082 21.356 2.795 298 HD13 ILE 719 HD13 ILE 719 27.809 20.146 2.698 299 H THR 720 HN THR 720 33.875 19.966 1.090 300 HA THR 720 HA THR 720 35.308 21.820 2.700 301 HB THR 720 HB THR 720 36.279 20.022 0.461 302 HG1 THR 720 HG1 THR 720 36.333 18.529 1.939 303 HG21 THR 720 HG21 THR 720 38.346 20.404 2.251 304 HG22 THR 720 HG22 THR 720 37.610 22.004 2.160 305 HG23 THR 720 HG23 THR 720 38.186 21.213 0.693 306 H ILE 721 HN ILE 721 34.726 21.532 -0.796 307 HA ILE 721 HA ILE 721 36.265 23.837 -1.504 308 HB ILE 721 HB ILE 721 34.016 22.428 -2.929 309 HG12 ILE 721 HG12 ILE 721 36.486 21.528 -2.535 310 HG13 ILE 721 HG11 ILE 721 35.684 21.312 -4.089 311 HG21 ILE 721 HG21 ILE 721 35.610 24.870 -3.698 312 HG22 ILE 721 HG22 ILE 721 33.866 24.623 -3.783 313 HG23 ILE 721 HG23 ILE 721 34.929 23.799 -4.924 314 HD11 ILE 721 HD11 ILE 721 38.098 22.247 -4.098 315 HD12 ILE 721 HD12 ILE 721 37.376 23.749 -3.528 316 HD13 ILE 721 HD13 ILE 721 36.898 23.078 -5.085 317 H HIS 722 HN HIS 722 32.830 23.422 -0.781 318 HA HIS 722 HA HIS 722 31.986 26.034 -1.371 319 HB2 HIS 722 HB2 HIS 722 30.943 23.773 0.246 320 HB3 HIS 722 HB1 HIS 722 30.282 25.369 0.596 321 HD1 HIS 722 HD1 HIS 722 30.625 22.864 -2.212 322 HD2 HIS 722 HD2 HIS 722 28.613 26.427 -1.412 323 HE1 HIS 722 HE1 HIS 722 28.969 23.191 -4.101 324 H ASP 723 HN ASP 723 33.353 24.635 1.582 325 HA ASP 723 HA ASP 723 33.022 27.053 3.119 326 HB2 ASP 723 HB2 ASP 723 34.564 24.499 3.597 327 HB3 ASP 723 HB1 ASP 723 34.531 25.836 4.745 328 H ARG 724 HN ARG 724 34.525 28.592 3.595 329 HA ARG 724 HA ARG 724 36.882 28.683 1.845 330 HB2 ARG 724 HB2 ARG 724 35.329 30.620 1.860 331 HB3 ARG 724 HB1 ARG 724 35.661 30.848 3.577 332 HG2 ARG 724 HG2 ARG 724 38.055 31.192 3.072 333 HG3 ARG 724 HG1 ARG 724 37.725 30.960 1.355 334 HD2 ARG 724 HD2 ARG 724 36.123 32.890 1.472 335 HD3 ARG 724 HD1 ARG 724 36.647 33.165 3.131 336 HE ARG 724 HE ARG 724 38.926 33.092 1.475 337 HH11 ARG 724 HH21 ARG 724 36.092 34.984 2.084 338 HH12 ARG 724 HH22 ARG 724 36.821 36.481 1.606 339 HH21 ARG 724 HH11 ARG 724 39.889 35.052 0.847 340 HH22 ARG 724 HH12 ARG 724 38.971 36.520 0.906 341 H LYS 725 HN LYS 725 38.937 28.646 2.605 342 HA LYS 725 HA LYS 725 39.272 28.178 5.497 343 HB2 LYS 725 HB2 LYS 725 41.051 27.528 3.136 344 HB3 LYS 725 HB1 LYS 725 41.499 27.254 4.822 345 HG2 LYS 725 HG2 LYS 725 39.552 25.780 5.116 346 HG3 LYS 725 HG1 LYS 725 39.072 26.067 3.443 347 HD2 LYS 725 HD2 LYS 725 41.237 25.116 2.680 348 HD3 LYS 725 HD1 LYS 725 41.653 24.766 4.358 349 HE2 LYS 725 HE2 LYS 725 39.182 23.699 2.966 350 HE3 LYS 725 HE1 LYS 725 40.685 22.795 3.143 351 HZ1 LYS 725 HZ1 LYS 725 39.940 23.873 5.634 352 HZ2 LYS 725 HZ2 LYS 725 40.103 22.242 5.189 353 HZ3 LYS 725 HZ3 LYS 725 38.616 23.037 4.984 354 H GLU 726 HN GLU 726 40.764 29.330 6.704 355 HA GLU 726 HA GLU 726 41.203 32.033 5.963 356 HB2 GLU 726 HB2 GLU 726 40.992 31.267 8.311 357 HB3 GLU 726 HB1 GLU 726 42.535 30.427 8.159 358 HG2 GLU 726 HG2 GLU 726 43.670 32.554 7.686 359 HG3 GLU 726 HG1 GLU 726 42.131 33.409 7.775 360 H PHE 727 HN PHE 727 43.259 29.157 5.957 361 HA PHE 727 HA PHE 727 45.743 30.283 5.487 362 HB2 PHE 727 HB2 PHE 727 44.546 27.738 4.376 363 HB3 PHE 727 HB1 PHE 727 46.253 28.162 4.243 364 HD1 PHE 727 HD1 PHE 727 47.659 28.378 6.281 365 HD2 PHE 727 HD2 PHE 727 43.586 27.027 6.470 366 HE1 PHE 727 HE1 PHE 727 48.053 27.512 8.571 367 HE2 PHE 727 HE2 PHE 727 43.981 26.161 8.761 368 HZ PHE 727 HZ PHE 727 46.214 26.403 9.811 Start of MODEL 3 1 H2 PRO 685 HT1 PRO 685 53.136 -18.708 8.121 2 H3 PRO 685 HT2 PRO 685 54.117 -18.224 6.819 3 HA PRO 685 HA PRO 685 54.169 -20.264 6.002 4 HB2 PRO 685 HB2 PRO 685 54.682 -22.018 8.136 5 HB3 PRO 685 HB1 PRO 685 55.897 -21.279 7.073 6 HG2 PRO 685 HG2 PRO 685 55.066 -20.518 9.800 7 HG3 PRO 685 HG1 PRO 685 56.623 -20.299 8.985 8 HD2 PRO 685 HD2 PRO 685 54.890 -18.232 9.422 9 HD3 PRO 685 HD1 PRO 685 55.994 -18.278 8.031 10 H GLU 686 HN GLU 686 52.182 -19.457 8.646 11 HA GLU 686 HA GLU 686 50.612 -21.811 8.870 12 HB2 GLU 686 HB2 GLU 686 50.622 -20.000 10.561 13 HB3 GLU 686 HB1 GLU 686 49.813 -18.939 9.407 14 HG2 GLU 686 HG2 GLU 686 47.900 -20.476 9.304 15 HG3 GLU 686 HG1 GLU 686 48.713 -21.581 10.411 16 H SER 687 HN SER 687 50.386 -18.934 6.827 17 HA SER 687 HA SER 687 48.548 -20.391 5.063 18 HB2 SER 687 HB2 SER 687 47.102 -19.051 6.532 19 HB3 SER 687 HB1 SER 687 48.008 -17.601 6.110 20 HG SER 687 HG SER 687 46.402 -17.572 4.675 21 HA PRO 688 HA PRO 688 52.041 -18.143 2.928 22 HB2 PRO 688 HB2 PRO 688 51.978 -20.599 1.281 23 HB3 PRO 688 HB1 PRO 688 53.351 -19.811 2.078 24 HG2 PRO 688 HG2 PRO 688 52.314 -22.122 2.957 25 HG3 PRO 688 HG1 PRO 688 53.019 -20.916 4.048 26 HD2 PRO 688 HD2 PRO 688 50.134 -21.540 3.538 27 HD3 PRO 688 HD1 PRO 688 50.933 -21.039 5.047 28 H LYS 689 HN LYS 689 51.881 -17.020 0.997 29 HA LYS 689 HA LYS 689 49.308 -16.772 -0.192 30 HB2 LYS 689 HB2 LYS 689 50.976 -14.925 -0.055 31 HB3 LYS 689 HB1 LYS 689 51.965 -15.772 -1.245 32 HG2 LYS 689 HG2 LYS 689 50.135 -15.662 -2.877 33 HG3 LYS 689 HG1 LYS 689 49.104 -14.864 -1.688 34 HD2 LYS 689 HD2 LYS 689 50.705 -12.985 -1.567 35 HD3 LYS 689 HD1 LYS 689 51.722 -13.780 -2.770 36 HE2 LYS 689 HE2 LYS 689 50.315 -12.103 -3.863 37 HE3 LYS 689 HE1 LYS 689 49.823 -13.716 -4.379 38 HZ1 LYS 689 HZ1 LYS 689 48.529 -12.499 -2.039 39 HZ2 LYS 689 HZ2 LYS 689 47.916 -13.635 -3.143 40 HZ3 LYS 689 HZ3 LYS 689 48.057 -12.003 -3.591 41 H GLY 690 HN GLY 690 48.445 -17.704 -1.959 42 HA2 GLY 690 HA2 GLY 690 49.960 -18.835 -4.087 43 HA3 GLY 690 HA1 GLY 690 49.380 -20.098 -3.009 44 HA PRO 691 HA PRO 691 45.248 -19.969 -4.537 45 HB2 PRO 691 HB2 PRO 691 44.052 -18.492 -2.269 46 HB3 PRO 691 HB1 PRO 691 43.734 -20.143 -2.833 47 HG2 PRO 691 HG2 PRO 691 45.071 -19.631 -0.563 48 HG3 PRO 691 HG1 PRO 691 45.417 -21.041 -1.579 49 HD2 PRO 691 HD2 PRO 691 46.960 -18.489 -1.306 50 HD3 PRO 691 HD1 PRO 691 47.551 -20.145 -1.573 51 H ASP 692 HN ASP 692 43.916 -18.731 -5.843 52 HA ASP 692 HA ASP 692 44.598 -15.878 -6.023 53 HB2 ASP 692 HB2 ASP 692 43.154 -17.750 -7.909 54 HB3 ASP 692 HB1 ASP 692 43.342 -16.022 -8.200 55 H ILE 693 HN ILE 693 42.326 -17.809 -4.590 56 HA ILE 693 HA ILE 693 39.901 -16.399 -5.036 57 HB ILE 693 HB ILE 693 40.710 -18.079 -2.657 58 HG12 ILE 693 HG12 ILE 693 41.021 -19.333 -4.736 59 HG13 ILE 693 HG11 ILE 693 39.601 -19.934 -3.885 60 HG21 ILE 693 HG21 ILE 693 37.957 -18.303 -3.332 61 HG22 ILE 693 HG22 ILE 693 38.348 -16.584 -3.279 62 HG23 ILE 693 HG23 ILE 693 38.664 -17.603 -1.875 63 HD11 ILE 693 HD11 ILE 693 39.746 -18.293 -6.401 64 HD12 ILE 693 HD12 ILE 693 38.304 -18.205 -5.394 65 HD13 ILE 693 HD13 ILE 693 38.808 -19.748 -6.076 66 H LEU 694 HN LEU 694 42.403 -16.303 -2.588 67 HA LEU 694 HA LEU 694 41.228 -14.371 -0.901 68 HB2 LEU 694 HB2 LEU 694 44.100 -15.198 -1.348 69 HB3 LEU 694 HB1 LEU 694 43.608 -14.056 -0.100 70 HG LEU 694 HG LEU 694 42.473 -16.855 -0.376 71 HD11 LEU 694 HD11 LEU 694 44.814 -17.068 0.162 72 HD12 LEU 694 HD12 LEU 694 43.900 -17.335 1.646 73 HD13 LEU 694 HD13 LEU 694 44.705 -15.790 1.372 74 HD21 LEU 694 HD21 LEU 694 41.893 -14.534 1.338 75 HD22 LEU 694 HD22 LEU 694 42.210 -16.007 2.249 76 HD23 LEU 694 HD23 LEU 694 40.930 -15.980 1.037 77 H VAL 695 HN VAL 695 43.372 -14.145 -3.709 78 HA VAL 695 HA VAL 695 44.007 -11.408 -3.475 79 HB VAL 695 HB VAL 695 43.871 -13.236 -5.876 80 HG11 VAL 695 HG11 VAL 695 45.466 -11.329 -6.759 81 HG12 VAL 695 HG12 VAL 695 44.578 -10.332 -5.606 82 HG13 VAL 695 HG13 VAL 695 43.717 -11.153 -6.909 83 HG21 VAL 695 HG21 VAL 695 46.328 -12.066 -4.588 84 HG22 VAL 695 HG22 VAL 695 46.171 -13.544 -5.537 85 HG23 VAL 695 HG23 VAL 695 45.559 -13.490 -3.885 86 H VAL 696 HN VAL 696 41.432 -13.027 -5.337 87 HA VAL 696 HA VAL 696 40.372 -10.594 -6.351 88 HB VAL 696 HB VAL 696 38.335 -11.953 -6.861 89 HG11 VAL 696 HG11 VAL 696 41.005 -13.205 -7.583 90 HG12 VAL 696 HG12 VAL 696 40.236 -11.860 -8.427 91 HG13 VAL 696 HG13 VAL 696 39.490 -13.458 -8.450 92 HG21 VAL 696 HG21 VAL 696 38.419 -14.367 -6.398 93 HG22 VAL 696 HG22 VAL 696 38.484 -13.456 -4.890 94 HG23 VAL 696 HG23 VAL 696 39.954 -14.154 -5.563 95 H LEU 697 HN LEU 697 39.761 -12.533 -3.445 96 HA LEU 697 HA LEU 697 37.446 -11.153 -2.608 97 HB2 LEU 697 HB2 LEU 697 39.552 -12.752 -1.183 98 HB3 LEU 697 HB1 LEU 697 38.260 -11.966 -0.282 99 HG LEU 697 HG LEU 697 37.783 -13.831 -2.627 100 HD11 LEU 697 HD11 LEU 697 37.241 -15.549 -0.982 101 HD12 LEU 697 HD12 LEU 697 37.584 -14.432 0.338 102 HD13 LEU 697 HD13 LEU 697 38.889 -14.985 -0.712 103 HD21 LEU 697 HD21 LEU 697 35.587 -13.808 -0.889 104 HD22 LEU 697 HD22 LEU 697 35.687 -13.002 -2.452 105 HD23 LEU 697 HD23 LEU 697 36.082 -12.120 -0.980 106 H LEU 698 HN LEU 698 40.875 -10.527 -1.941 107 HA LEU 698 HA LEU 698 40.463 -8.416 -0.097 108 HB2 LEU 698 HB2 LEU 698 42.796 -9.095 -1.896 109 HB3 LEU 698 HB1 LEU 698 42.836 -7.771 -0.734 110 HG LEU 698 HG LEU 698 42.171 -10.637 0.005 111 HD11 LEU 698 HD11 LEU 698 44.530 -10.488 1.057 112 HD12 LEU 698 HD12 LEU 698 44.789 -9.145 -0.057 113 HD13 LEU 698 HD13 LEU 698 44.424 -10.753 -0.685 114 HD21 LEU 698 HD21 LEU 698 41.500 -9.622 1.913 115 HD22 LEU 698 HD22 LEU 698 42.198 -8.076 1.436 116 HD23 LEU 698 HD23 LEU 698 43.205 -9.297 2.209 117 H SER 699 HN SER 699 40.938 -8.535 -3.579 118 HA SER 699 HA SER 699 40.940 -5.756 -4.040 119 HB2 SER 699 HB2 SER 699 40.399 -6.403 -6.372 120 HB3 SER 699 HB1 SER 699 41.725 -7.352 -5.709 121 HG SER 699 HG SER 699 40.101 -8.945 -5.158 122 H VAL 700 HN VAL 700 38.383 -8.142 -3.665 123 HA VAL 700 HA VAL 700 36.235 -6.531 -4.624 124 HB VAL 700 HB VAL 700 36.296 -8.874 -2.708 125 HG11 VAL 700 HG11 VAL 700 33.788 -8.918 -3.409 126 HG12 VAL 700 HG12 VAL 700 34.031 -7.215 -3.798 127 HG13 VAL 700 HG13 VAL 700 34.286 -7.788 -2.149 128 HG21 VAL 700 HG21 VAL 700 34.955 -9.183 -5.274 129 HG22 VAL 700 HG22 VAL 700 36.241 -10.159 -4.564 130 HG23 VAL 700 HG23 VAL 700 36.640 -8.704 -5.480 131 H MET 701 HN MET 701 37.578 -7.150 -1.404 132 HA MET 701 HA MET 701 35.768 -5.496 -0.001 133 HB2 MET 701 HB2 MET 701 38.599 -6.321 0.693 134 HB3 MET 701 HB1 MET 701 37.478 -5.542 1.807 135 HG2 MET 701 HG2 MET 701 36.998 -8.198 0.427 136 HG3 MET 701 HG1 MET 701 37.509 -8.009 2.098 137 HE1 MET 701 HE1 MET 701 34.646 -6.749 4.036 138 HE2 MET 701 HE2 MET 701 35.637 -5.518 3.260 139 HE3 MET 701 HE3 MET 701 36.387 -6.997 3.854 140 H GLY 702 HN GLY 702 38.877 -4.906 -1.572 141 HA2 GLY 702 HA2 GLY 702 39.302 -2.281 -0.605 142 HA3 GLY 702 HA1 GLY 702 39.951 -2.932 -2.106 143 H ALA 703 HN ALA 703 37.561 -3.498 -3.444 144 HA ALA 703 HA ALA 703 36.951 -0.997 -4.587 145 HB1 ALA 703 HB1 ALA 703 35.944 -2.256 -6.155 146 HB2 ALA 703 HB2 ALA 703 34.879 -3.012 -4.970 147 HB3 ALA 703 HB3 ALA 703 36.501 -3.654 -5.237 148 H ILE 704 HN ILE 704 35.316 -2.939 -2.118 149 HA ILE 704 HA ILE 704 32.913 -1.468 -2.035 150 HB ILE 704 HB ILE 704 34.342 -3.077 0.089 151 HG12 ILE 704 HG12 ILE 704 31.860 -3.709 -1.531 152 HG13 ILE 704 HG11 ILE 704 33.480 -4.199 -2.028 153 HG21 ILE 704 HG21 ILE 704 32.935 -1.931 1.482 154 HG22 ILE 704 HG22 ILE 704 31.731 -3.046 0.840 155 HG23 ILE 704 HG23 ILE 704 31.878 -1.424 0.164 156 HD11 ILE 704 HD11 ILE 704 33.514 -5.902 -0.546 157 HD12 ILE 704 HD12 ILE 704 31.789 -5.613 -0.318 158 HD13 ILE 704 HD13 ILE 704 32.960 -4.859 0.764 159 H LEU 705 HN LEU 705 35.962 -1.057 -0.195 160 HA LEU 705 HA LEU 705 35.006 1.053 1.424 161 HB2 LEU 705 HB2 LEU 705 37.745 0.140 0.622 162 HB3 LEU 705 HB1 LEU 705 37.559 1.683 1.449 163 HG LEU 705 HG LEU 705 36.279 0.471 3.260 164 HD11 LEU 705 HD11 LEU 705 36.488 -1.963 3.386 165 HD12 LEU 705 HD12 LEU 705 37.349 -1.986 1.851 166 HD13 LEU 705 HD13 LEU 705 35.650 -1.519 1.902 167 HD21 LEU 705 HD21 LEU 705 38.517 -0.915 3.874 168 HD22 LEU 705 HD22 LEU 705 38.408 0.840 4.015 169 HD23 LEU 705 HD23 LEU 705 39.149 0.112 2.589 170 H LEU 706 HN LEU 706 36.616 1.084 -1.753 171 HA LEU 706 HA LEU 706 36.890 3.879 -1.952 172 HB2 LEU 706 HB2 LEU 706 36.615 1.730 -4.053 173 HB3 LEU 706 HB1 LEU 706 36.957 3.415 -4.440 174 HG LEU 706 HG LEU 706 38.627 1.738 -2.542 175 HD11 LEU 706 HD11 LEU 706 38.766 2.169 -5.507 176 HD12 LEU 706 HD12 LEU 706 39.065 0.701 -4.578 177 HD13 LEU 706 HD13 LEU 706 40.265 1.992 -4.596 178 HD21 LEU 706 HD21 LEU 706 40.266 3.697 -3.407 179 HD22 LEU 706 HD22 LEU 706 39.232 3.894 -1.991 180 HD23 LEU 706 HD23 LEU 706 38.729 4.550 -3.546 181 H ILE 707 HN ILE 707 34.262 1.718 -2.923 182 HA ILE 707 HA ILE 707 32.669 3.647 -4.209 183 HB ILE 707 HB ILE 707 31.936 1.046 -2.883 184 HG12 ILE 707 HG12 ILE 707 32.088 1.786 -5.814 185 HG13 ILE 707 HG11 ILE 707 33.445 1.089 -4.936 186 HG21 ILE 707 HG21 ILE 707 30.298 3.110 -4.333 187 HG22 ILE 707 HG22 ILE 707 29.887 2.184 -2.896 188 HG23 ILE 707 HG23 ILE 707 29.875 1.402 -4.480 189 HD11 ILE 707 HD11 ILE 707 31.436 -0.344 -6.195 190 HD12 ILE 707 HD12 ILE 707 30.944 -0.378 -4.501 191 HD13 ILE 707 HD13 ILE 707 32.533 -0.981 -4.972 192 H GLY 708 HN GLY 708 32.811 2.574 -0.836 193 HA2 GLY 708 HA2 GLY 708 30.554 4.119 0.025 194 HA3 GLY 708 HA1 GLY 708 31.763 3.379 1.082 195 H LEU 709 HN LEU 709 34.055 4.600 0.104 196 HA LEU 709 HA LEU 709 34.053 7.077 1.461 197 HB2 LEU 709 HB2 LEU 709 36.074 5.718 -0.320 198 HB3 LEU 709 HB1 LEU 709 36.391 7.245 0.501 199 HG LEU 709 HG LEU 709 35.518 4.708 1.915 200 HD11 LEU 709 HD11 LEU 709 38.248 5.832 1.314 201 HD12 LEU 709 HD12 LEU 709 37.664 4.182 1.094 202 HD13 LEU 709 HD13 LEU 709 37.975 4.798 2.717 203 HD21 LEU 709 HD21 LEU 709 36.763 6.189 3.790 204 HD22 LEU 709 HD22 LEU 709 35.039 6.347 3.459 205 HD23 LEU 709 HD23 LEU 709 36.177 7.495 2.761 206 H ALA 710 HN ALA 710 33.906 6.110 -1.908 207 HA ALA 710 HA ALA 710 34.530 8.335 -3.304 208 HB1 ALA 710 HB1 ALA 710 32.625 6.147 -3.700 209 HB2 ALA 710 HB2 ALA 710 33.788 6.857 -4.820 210 HB3 ALA 710 HB3 ALA 710 32.214 7.613 -4.592 211 HA PRO 711 HA PRO 711 30.268 10.503 -2.859 212 HB2 PRO 711 HB2 PRO 711 28.661 9.620 -0.785 213 HB3 PRO 711 HB1 PRO 711 28.479 9.146 -2.481 214 HG2 PRO 711 HG2 PRO 711 29.765 7.687 -0.234 215 HG3 PRO 711 HG1 PRO 711 28.791 7.065 -1.581 216 HD2 PRO 711 HD2 PRO 711 31.494 6.850 -1.549 217 HD3 PRO 711 HD1 PRO 711 30.580 7.056 -3.054 218 H LEU 712 HN LEU 712 31.768 9.287 0.126 219 HA LEU 712 HA LEU 712 31.236 11.608 1.685 220 HB2 LEU 712 HB2 LEU 712 33.146 9.304 1.916 221 HB3 LEU 712 HB1 LEU 712 33.353 10.719 2.952 222 HG LEU 712 HG LEU 712 31.027 10.487 3.740 223 HD11 LEU 712 HD11 LEU 712 31.000 8.406 1.613 224 HD12 LEU 712 HD12 LEU 712 29.715 9.497 2.136 225 HD13 LEU 712 HD13 LEU 712 30.092 8.060 3.082 226 HD21 LEU 712 HD21 LEU 712 31.824 9.120 5.342 227 HD22 LEU 712 HD22 LEU 712 33.198 8.762 4.296 228 HD23 LEU 712 HD23 LEU 712 31.760 7.740 4.246 229 H LEU 713 HN LEU 713 33.930 10.546 -0.366 230 HA LEU 713 HA LEU 713 35.586 12.789 0.124 231 HB2 LEU 713 HB2 LEU 713 35.417 10.857 -2.195 232 HB3 LEU 713 HB1 LEU 713 36.657 12.102 -2.067 233 HG LEU 713 HG LEU 713 36.129 10.012 0.067 234 HD11 LEU 713 HD11 LEU 713 37.686 9.920 -2.437 235 HD12 LEU 713 HD12 LEU 713 37.071 8.600 -1.441 236 HD13 LEU 713 HD13 LEU 713 38.575 9.410 -1.001 237 HD21 LEU 713 HD21 LEU 713 37.409 11.444 1.276 238 HD22 LEU 713 HD22 LEU 713 37.875 12.372 -0.147 239 HD23 LEU 713 HD23 LEU 713 38.748 10.899 0.269 240 H ILE 714 HN ILE 714 33.160 12.056 -2.365 241 HA ILE 714 HA ILE 714 33.496 14.464 -3.828 242 HB ILE 714 HB ILE 714 31.135 12.586 -3.564 243 HG12 ILE 714 HG12 ILE 714 33.068 13.001 -5.859 244 HG13 ILE 714 HG11 ILE 714 33.309 11.777 -4.613 245 HG21 ILE 714 HG21 ILE 714 31.458 15.191 -4.928 246 HG22 ILE 714 HG22 ILE 714 29.987 14.351 -4.439 247 HG23 ILE 714 HG23 ILE 714 30.804 13.900 -5.934 248 HD11 ILE 714 HD11 ILE 714 31.265 10.657 -5.201 249 HD12 ILE 714 HD12 ILE 714 32.133 10.955 -6.707 250 HD13 ILE 714 HD13 ILE 714 30.774 11.983 -6.254 251 H TRP 715 HN TRP 715 31.286 13.504 -1.204 252 HA TRP 715 HA TRP 715 29.894 15.958 -1.054 253 HB2 TRP 715 HB2 TRP 715 29.004 13.913 -0.085 254 HB3 TRP 715 HB1 TRP 715 30.385 13.786 0.997 255 HD1 TRP 715 HD1 TRP 715 27.248 15.892 0.374 256 HE1 TRP 715 HE1 TRP 715 26.658 17.145 2.548 257 HE3 TRP 715 HE3 TRP 715 31.320 14.695 3.218 258 HZ2 TRP 715 HZ2 TRP 715 27.762 17.575 5.152 259 HZ3 TRP 715 HZ3 TRP 715 31.521 15.536 5.541 260 HH2 TRP 715 HH2 TRP 715 29.749 16.973 6.510 261 H ALA 716 HN ALA 716 32.655 14.633 0.750 262 HA ALA 716 HA ALA 716 33.053 16.826 2.445 263 HB1 ALA 716 HB1 ALA 716 35.087 14.867 1.350 264 HB2 ALA 716 HB2 ALA 716 34.134 14.659 2.818 265 HB3 ALA 716 HB3 ALA 716 35.343 15.940 2.726 266 H LEU 717 HN LEU 717 34.366 16.133 -0.792 267 HA LEU 717 HA LEU 717 36.071 18.363 -0.921 268 HB2 LEU 717 HB2 LEU 717 34.777 16.608 -2.992 269 HB3 LEU 717 HB1 LEU 717 35.730 18.010 -3.471 270 HG LEU 717 HG LEU 717 36.750 15.844 -1.608 271 HD11 LEU 717 HD11 LEU 717 36.766 16.084 -4.595 272 HD12 LEU 717 HD12 LEU 717 36.567 14.649 -3.590 273 HD13 LEU 717 HD13 LEU 717 38.164 15.370 -3.791 274 HD21 LEU 717 HD21 LEU 717 38.858 17.105 -2.958 275 HD22 LEU 717 HD22 LEU 717 38.402 17.348 -1.273 276 HD23 LEU 717 HD23 LEU 717 37.771 18.421 -2.520 277 H LEU 718 HN LEU 718 32.671 17.902 -1.919 278 HA LEU 718 HA LEU 718 32.408 20.500 -3.021 279 HB2 LEU 718 HB2 LEU 718 30.375 18.598 -1.845 280 HB3 LEU 718 HB1 LEU 718 29.936 20.133 -2.587 281 HG LEU 718 HG LEU 718 31.568 17.994 -3.987 282 HD11 LEU 718 HD11 LEU 718 29.554 16.891 -3.906 283 HD12 LEU 718 HD12 LEU 718 29.221 17.936 -5.287 284 HD13 LEU 718 HD13 LEU 718 28.631 18.377 -3.685 285 HD21 LEU 718 HD21 LEU 718 30.438 19.429 -5.956 286 HD22 LEU 718 HD22 LEU 718 31.984 19.880 -5.241 287 HD23 LEU 718 HD23 LEU 718 30.506 20.689 -4.726 288 H ILE 719 HN ILE 719 31.820 19.175 0.214 289 HA ILE 719 HA ILE 719 30.951 21.620 1.367 290 HB ILE 719 HB ILE 719 32.112 19.108 2.585 291 HG12 ILE 719 HG12 ILE 719 29.895 18.859 1.529 292 HG13 ILE 719 HG11 ILE 719 29.786 18.695 3.274 293 HG21 ILE 719 HG21 ILE 719 32.573 20.534 4.315 294 HG22 ILE 719 HG22 ILE 719 30.863 20.274 4.659 295 HG23 ILE 719 HG23 ILE 719 31.380 21.724 3.796 296 HD11 ILE 719 HD11 ILE 719 29.322 21.369 3.026 297 HD12 ILE 719 HD12 ILE 719 28.047 20.158 3.009 298 HD13 ILE 719 HD13 ILE 719 28.676 20.792 1.493 299 H THR 720 HN THR 720 34.083 19.935 1.187 300 HA THR 720 HA THR 720 35.511 21.898 2.692 301 HB THR 720 HB THR 720 36.642 20.164 0.475 302 HG1 THR 720 HG1 THR 720 35.333 19.267 2.429 303 HG21 THR 720 HG21 THR 720 37.850 21.343 3.001 304 HG22 THR 720 HG22 THR 720 38.128 21.925 1.358 305 HG23 THR 720 HG23 THR 720 38.696 20.326 1.834 306 H ILE 721 HN ILE 721 34.902 21.421 -0.776 307 HA ILE 721 HA ILE 721 36.374 23.730 -1.604 308 HB ILE 721 HB ILE 721 34.152 22.192 -2.952 309 HG12 ILE 721 HG12 ILE 721 37.086 22.430 -3.667 310 HG13 ILE 721 HG11 ILE 721 36.504 21.191 -2.565 311 HG21 ILE 721 HG21 ILE 721 33.941 24.281 -3.980 312 HG22 ILE 721 HG22 ILE 721 35.157 23.504 -4.995 313 HG23 ILE 721 HG23 ILE 721 35.648 24.670 -3.766 314 HD11 ILE 721 HD11 ILE 721 35.440 21.614 -5.372 315 HD12 ILE 721 HD12 ILE 721 35.031 20.291 -4.279 316 HD13 ILE 721 HD13 ILE 721 36.660 20.414 -4.944 317 H HIS 722 HN HIS 722 32.948 23.267 -0.806 318 HA HIS 722 HA HIS 722 32.049 25.832 -1.523 319 HB2 HIS 722 HB2 HIS 722 31.070 23.679 0.278 320 HB3 HIS 722 HB1 HIS 722 30.390 25.286 0.502 321 HD1 HIS 722 HD1 HIS 722 30.759 22.581 -2.107 322 HD2 HIS 722 HD2 HIS 722 28.672 26.144 -1.543 323 HE1 HIS 722 HE1 HIS 722 29.081 22.735 -3.999 324 H ASP 723 HN ASP 723 33.476 24.618 1.473 325 HA ASP 723 HA ASP 723 33.144 27.052 2.953 326 HB2 ASP 723 HB2 ASP 723 34.896 24.617 3.338 327 HB3 ASP 723 HB1 ASP 723 34.862 25.979 4.461 328 H ARG 724 HN ARG 724 35.548 25.699 0.756 329 HA ARG 724 HA ARG 724 37.678 27.474 1.513 330 HB2 ARG 724 HB2 ARG 724 38.138 25.451 0.218 331 HB3 ARG 724 HB1 ARG 724 37.230 26.086 -1.144 332 HG2 ARG 724 HG2 ARG 724 38.822 27.991 -1.295 333 HG3 ARG 724 HG1 ARG 724 39.748 27.301 0.045 334 HD2 ARG 724 HD2 ARG 724 40.051 25.216 -1.327 335 HD3 ARG 724 HD1 ARG 724 39.251 26.031 -2.668 336 HE ARG 724 HE ARG 724 41.446 27.554 -1.646 337 HH11 ARG 724 HH21 ARG 724 40.524 24.936 -3.731 338 HH12 ARG 724 HH22 ARG 724 41.981 24.998 -4.664 339 HH21 ARG 724 HH11 ARG 724 43.344 27.630 -2.872 340 HH22 ARG 724 HH12 ARG 724 43.578 26.518 -4.180 341 H LYS 725 HN LYS 725 35.185 27.631 -0.998 342 HA LYS 725 HA LYS 725 35.975 30.158 -2.069 343 HB2 LYS 725 HB2 LYS 725 34.558 28.485 -3.274 344 HB3 LYS 725 HB1 LYS 725 33.240 28.849 -2.155 345 HG2 LYS 725 HG2 LYS 725 33.243 31.193 -2.879 346 HG3 LYS 725 HG1 LYS 725 34.608 30.880 -3.949 347 HD2 LYS 725 HD2 LYS 725 33.224 29.268 -5.235 348 HD3 LYS 725 HD1 LYS 725 31.859 29.607 -4.170 349 HE2 LYS 725 HE2 LYS 725 31.886 31.975 -4.866 350 HE3 LYS 725 HE1 LYS 725 33.265 31.656 -5.915 351 HZ1 LYS 725 HZ1 LYS 725 31.744 31.233 -7.468 352 HZ2 LYS 725 HZ2 LYS 725 30.475 31.111 -6.345 353 HZ3 LYS 725 HZ3 LYS 725 31.467 29.768 -6.661 354 H GLU 726 HN GLU 726 35.419 32.189 -1.511 355 HA GLU 726 HA GLU 726 34.453 32.719 1.104 356 HB2 GLU 726 HB2 GLU 726 34.844 34.517 -1.299 357 HB3 GLU 726 HB1 GLU 726 34.404 35.103 0.304 358 HG2 GLU 726 HG2 GLU 726 36.446 34.140 1.251 359 HG3 GLU 726 HG1 GLU 726 36.876 33.463 -0.318 360 H PHE 727 HN PHE 727 32.935 32.806 -2.092 361 HA PHE 727 HA PHE 727 30.308 32.909 -0.766 362 HB2 PHE 727 HB2 PHE 727 31.193 34.668 -3.062 363 HB3 PHE 727 HB1 PHE 727 29.512 34.461 -2.571 364 HD1 PHE 727 HD2 PHE 727 28.745 35.233 -0.339 365 HD2 PHE 727 HD1 PHE 727 32.740 35.958 -1.740 366 HE1 PHE 727 HE2 PHE 727 29.058 36.937 1.437 367 HE2 PHE 727 HE1 PHE 727 33.053 37.661 0.034 368 HZ PHE 727 HZ PHE 727 31.213 38.150 1.624 Start of MODEL 4 1 H2 PRO 685 HT1 PRO 685 46.062 -32.079 -20.153 2 H3 PRO 685 HT2 PRO 685 46.273 -33.627 -19.479 3 HA PRO 685 HA PRO 685 48.266 -33.037 -18.765 4 HB2 PRO 685 HB2 PRO 685 49.407 -32.149 -21.310 5 HB3 PRO 685 HB1 PRO 685 49.827 -33.566 -20.328 6 HG2 PRO 685 HG2 PRO 685 48.530 -33.717 -22.708 7 HG3 PRO 685 HG1 PRO 685 48.368 -34.916 -21.416 8 HD2 PRO 685 HD2 PRO 685 46.455 -32.771 -22.246 9 HD3 PRO 685 HD1 PRO 685 46.121 -34.380 -21.574 10 H GLU 686 HN GLU 686 46.121 -30.890 -19.598 11 HA GLU 686 HA GLU 686 47.901 -28.544 -19.272 12 HB2 GLU 686 HB2 GLU 686 45.231 -28.766 -20.687 13 HB3 GLU 686 HB1 GLU 686 46.067 -27.246 -20.376 14 HG2 GLU 686 HG2 GLU 686 47.232 -29.560 -21.952 15 HG3 GLU 686 HG1 GLU 686 46.499 -28.128 -22.670 16 H SER 687 HN SER 687 47.585 -27.299 -17.524 17 HA SER 687 HA SER 687 45.031 -27.492 -16.072 18 HB2 SER 687 HB2 SER 687 46.283 -28.991 -14.780 19 HB3 SER 687 HB1 SER 687 47.776 -28.082 -14.998 20 HG SER 687 HG SER 687 45.642 -27.666 -13.256 21 HA PRO 688 HA PRO 688 46.573 -23.134 -16.729 22 HB2 PRO 688 HB2 PRO 688 43.677 -22.674 -17.119 23 HB3 PRO 688 HB1 PRO 688 45.042 -22.199 -18.145 24 HG2 PRO 688 HG2 PRO 688 43.340 -24.156 -18.831 25 HG3 PRO 688 HG1 PRO 688 45.053 -24.179 -19.282 26 HD2 PRO 688 HD2 PRO 688 43.644 -25.739 -17.149 27 HD3 PRO 688 HD1 PRO 688 45.005 -26.219 -18.187 28 H LYS 689 HN LYS 689 46.477 -21.473 -15.234 29 HA LYS 689 HA LYS 689 44.621 -21.815 -12.954 30 HB2 LYS 689 HB2 LYS 689 47.550 -21.054 -12.895 31 HB3 LYS 689 HB1 LYS 689 46.465 -20.933 -11.509 32 HG2 LYS 689 HG2 LYS 689 46.002 -23.346 -11.643 33 HG3 LYS 689 HG1 LYS 689 47.060 -23.478 -13.048 34 HD2 LYS 689 HD2 LYS 689 48.959 -22.660 -11.668 35 HD3 LYS 689 HD1 LYS 689 47.894 -22.617 -10.262 36 HE2 LYS 689 HE2 LYS 689 48.435 -25.106 -11.905 37 HE3 LYS 689 HE1 LYS 689 49.268 -24.712 -10.402 38 HZ1 LYS 689 HZ1 LYS 689 46.862 -24.467 -9.507 39 HZ2 LYS 689 HZ2 LYS 689 47.552 -26.013 -9.660 40 HZ3 LYS 689 HZ3 LYS 689 46.456 -25.450 -10.830 41 H GLY 690 HN GLY 690 43.772 -19.955 -12.064 42 HA2 GLY 690 HA2 GLY 690 44.273 -17.461 -13.583 43 HA3 GLY 690 HA1 GLY 690 42.711 -17.906 -12.905 44 HA PRO 691 HA PRO 691 44.876 -14.991 -9.972 45 HB2 PRO 691 HB2 PRO 691 42.107 -13.997 -9.670 46 HB3 PRO 691 HB1 PRO 691 43.596 -13.098 -10.010 47 HG2 PRO 691 HG2 PRO 691 41.698 -13.496 -11.866 48 HG3 PRO 691 HG1 PRO 691 43.421 -13.398 -12.267 49 HD2 PRO 691 HD2 PRO 691 41.660 -15.814 -12.098 50 HD3 PRO 691 HD1 PRO 691 43.016 -15.479 -13.198 51 H ASP 692 HN ASP 692 44.883 -15.134 -7.735 52 HA ASP 692 HA ASP 692 43.657 -17.418 -6.556 53 HB2 ASP 692 HB2 ASP 692 45.168 -15.084 -5.394 54 HB3 ASP 692 HB1 ASP 692 44.553 -16.404 -4.405 55 H ILE 693 HN ILE 693 41.988 -17.570 -5.118 56 HA ILE 693 HA ILE 693 39.785 -15.832 -5.422 57 HB ILE 693 HB ILE 693 40.349 -18.039 -3.431 58 HG12 ILE 693 HG12 ILE 693 38.472 -17.963 -5.810 59 HG13 ILE 693 HG11 ILE 693 40.125 -18.569 -5.909 60 HG21 ILE 693 HG21 ILE 693 37.793 -17.928 -3.170 61 HG22 ILE 693 HG22 ILE 693 37.903 -16.324 -3.897 62 HG23 ILE 693 HG23 ILE 693 38.724 -16.660 -2.373 63 HD11 ILE 693 HD11 ILE 693 38.056 -19.615 -3.957 64 HD12 ILE 693 HD12 ILE 693 39.659 -20.286 -4.263 65 HD13 ILE 693 HD13 ILE 693 38.415 -20.370 -5.510 66 H LEU 694 HN LEU 694 42.144 -16.311 -2.846 67 HA LEU 694 HA LEU 694 41.024 -14.512 -0.982 68 HB2 LEU 694 HB2 LEU 694 43.866 -15.453 -1.418 69 HB3 LEU 694 HB1 LEU 694 43.378 -14.450 -0.055 70 HG LEU 694 HG LEU 694 42.116 -17.124 -0.729 71 HD11 LEU 694 HD11 LEU 694 44.283 -16.419 1.267 72 HD12 LEU 694 HD12 LEU 694 44.436 -17.496 -0.121 73 HD13 LEU 694 HD13 LEU 694 43.416 -17.955 1.244 74 HD21 LEU 694 HD21 LEU 694 40.542 -16.137 0.635 75 HD22 LEU 694 HD22 LEU 694 41.712 -15.057 1.393 76 HD23 LEU 694 HD23 LEU 694 41.624 -16.746 1.886 77 H VAL 695 HN VAL 695 43.315 -14.127 -3.645 78 HA VAL 695 HA VAL 695 43.959 -11.398 -3.124 79 HB VAL 695 HB VAL 695 44.075 -13.044 -5.660 80 HG11 VAL 695 HG11 VAL 695 45.653 -11.050 -6.302 81 HG12 VAL 695 HG12 VAL 695 44.712 -10.156 -5.109 82 HG13 VAL 695 HG13 VAL 695 43.912 -10.866 -6.511 83 HG21 VAL 695 HG21 VAL 695 45.619 -13.545 -3.693 84 HG22 VAL 695 HG22 VAL 695 46.290 -11.929 -3.915 85 HG23 VAL 695 HG23 VAL 695 46.439 -13.129 -5.198 86 H VAL 696 HN VAL 696 41.573 -13.014 -5.130 87 HA VAL 696 HA VAL 696 40.411 -10.703 -6.266 88 HB VAL 696 HB VAL 696 39.288 -13.465 -5.735 89 HG11 VAL 696 HG11 VAL 696 37.303 -12.358 -6.038 90 HG12 VAL 696 HG12 VAL 696 37.766 -12.467 -7.736 91 HG13 VAL 696 HG13 VAL 696 38.072 -10.984 -6.832 92 HG21 VAL 696 HG21 VAL 696 39.839 -12.408 -8.461 93 HG22 VAL 696 HG22 VAL 696 40.080 -14.031 -7.815 94 HG23 VAL 696 HG23 VAL 696 41.250 -12.758 -7.463 95 H LEU 697 HN LEU 697 39.715 -12.605 -3.345 96 HA LEU 697 HA LEU 697 37.395 -11.202 -2.581 97 HB2 LEU 697 HB2 LEU 697 38.014 -13.364 -1.616 98 HB3 LEU 697 HB1 LEU 697 39.439 -12.643 -0.873 99 HG LEU 697 HG LEU 697 38.022 -11.192 0.509 100 HD11 LEU 697 HD11 LEU 697 36.089 -10.700 -0.690 101 HD12 LEU 697 HD12 LEU 697 35.478 -11.912 0.435 102 HD13 LEU 697 HD13 LEU 697 35.872 -12.367 -1.222 103 HD21 LEU 697 HD21 LEU 697 38.570 -13.449 1.343 104 HD22 LEU 697 HD22 LEU 697 37.122 -14.088 0.564 105 HD23 LEU 697 HD23 LEU 697 36.973 -12.942 1.897 106 H LEU 698 HN LEU 698 40.810 -10.626 -1.779 107 HA LEU 698 HA LEU 698 40.355 -8.522 0.062 108 HB2 LEU 698 HB2 LEU 698 42.744 -9.216 -1.656 109 HB3 LEU 698 HB1 LEU 698 42.755 -7.904 -0.480 110 HG LEU 698 HG LEU 698 42.039 -10.771 0.205 111 HD11 LEU 698 HD11 LEU 698 44.664 -9.315 0.632 112 HD12 LEU 698 HD12 LEU 698 44.391 -10.577 -0.570 113 HD13 LEU 698 HD13 LEU 698 44.291 -10.959 1.148 114 HD21 LEU 698 HD21 LEU 698 41.300 -9.764 2.094 115 HD22 LEU 698 HD22 LEU 698 42.037 -8.223 1.664 116 HD23 LEU 698 HD23 LEU 698 42.996 -9.466 2.464 117 H SER 699 HN SER 699 40.968 -8.621 -3.407 118 HA SER 699 HA SER 699 40.999 -5.837 -3.849 119 HB2 SER 699 HB2 SER 699 40.558 -6.461 -6.204 120 HB3 SER 699 HB1 SER 699 41.843 -7.435 -5.494 121 HG SER 699 HG SER 699 40.113 -8.981 -4.996 122 H VAL 700 HN VAL 700 38.434 -8.218 -3.596 123 HA VAL 700 HA VAL 700 36.322 -6.584 -4.598 124 HB VAL 700 HB VAL 700 36.298 -8.960 -2.723 125 HG11 VAL 700 HG11 VAL 700 34.228 -8.134 -2.212 126 HG12 VAL 700 HG12 VAL 700 33.802 -8.855 -3.763 127 HG13 VAL 700 HG13 VAL 700 34.160 -7.130 -3.661 128 HG21 VAL 700 HG21 VAL 700 36.328 -10.216 -4.600 129 HG22 VAL 700 HG22 VAL 700 36.757 -8.748 -5.478 130 HG23 VAL 700 HG23 VAL 700 35.067 -9.234 -5.346 131 H MET 701 HN MET 701 37.598 -7.269 -1.381 132 HA MET 701 HA MET 701 35.778 -5.676 0.067 133 HB2 MET 701 HB2 MET 701 38.581 -6.644 0.636 134 HB3 MET 701 HB1 MET 701 37.681 -5.654 1.785 135 HG2 MET 701 HG2 MET 701 35.878 -7.308 1.848 136 HG3 MET 701 HG1 MET 701 36.699 -8.280 0.628 137 HE1 MET 701 HE1 MET 701 37.729 -7.623 5.010 138 HE2 MET 701 HE2 MET 701 36.625 -6.726 3.973 139 HE3 MET 701 HE3 MET 701 38.354 -6.394 3.902 140 H GLY 702 HN GLY 702 38.878 -5.004 -1.498 141 HA2 GLY 702 HA2 GLY 702 39.226 -2.371 -0.498 142 HA3 GLY 702 HA1 GLY 702 39.942 -3.011 -1.977 143 H ALA 703 HN ALA 703 37.602 -3.629 -3.397 144 HA ALA 703 HA ALA 703 36.984 -1.136 -4.565 145 HB1 ALA 703 HB1 ALA 703 35.480 -2.345 -5.976 146 HB2 ALA 703 HB2 ALA 703 35.328 -3.652 -4.802 147 HB3 ALA 703 HB3 ALA 703 36.847 -3.414 -5.665 148 H ILE 704 HN ILE 704 35.258 -3.133 -2.197 149 HA ILE 704 HA ILE 704 32.844 -1.667 -2.190 150 HB ILE 704 HB ILE 704 34.179 -3.329 -0.045 151 HG12 ILE 704 HG12 ILE 704 31.774 -3.928 -1.788 152 HG13 ILE 704 HG11 ILE 704 33.415 -4.406 -2.221 153 HG21 ILE 704 HG21 ILE 704 31.528 -3.313 0.578 154 HG22 ILE 704 HG22 ILE 704 31.722 -1.670 -0.032 155 HG23 ILE 704 HG23 ILE 704 32.709 -2.232 1.318 156 HD11 ILE 704 HD11 ILE 704 31.679 -5.901 -0.673 157 HD12 ILE 704 HD12 ILE 704 32.697 -5.115 0.534 158 HD13 ILE 704 HD13 ILE 704 33.430 -6.107 -0.725 159 H LEU 705 HN LEU 705 35.812 -1.351 -0.269 160 HA LEU 705 HA LEU 705 34.918 0.676 1.457 161 HB2 LEU 705 HB2 LEU 705 36.985 -0.646 1.807 162 HB3 LEU 705 HB1 LEU 705 37.725 0.171 0.432 163 HG LEU 705 HG LEU 705 37.457 2.348 1.596 164 HD11 LEU 705 HD11 LEU 705 35.659 2.191 3.059 165 HD12 LEU 705 HD12 LEU 705 37.000 1.971 4.182 166 HD13 LEU 705 HD13 LEU 705 36.101 0.572 3.595 167 HD21 LEU 705 HD21 LEU 705 38.846 0.222 3.259 168 HD22 LEU 705 HD22 LEU 705 39.175 1.954 3.318 169 HD23 LEU 705 HD23 LEU 705 39.541 1.037 1.857 170 H LEU 706 HN LEU 706 36.520 0.856 -1.717 171 HA LEU 706 HA LEU 706 36.843 3.649 -1.793 172 HB2 LEU 706 HB2 LEU 706 37.988 2.141 -3.353 173 HB3 LEU 706 HB1 LEU 706 36.445 1.690 -4.071 174 HG LEU 706 HG LEU 706 36.090 3.999 -4.828 175 HD11 LEU 706 HD11 LEU 706 38.280 5.467 -4.603 176 HD12 LEU 706 HD12 LEU 706 38.556 4.458 -3.184 177 HD13 LEU 706 HD13 LEU 706 37.094 5.436 -3.299 178 HD21 LEU 706 HD21 LEU 706 37.869 4.091 -6.499 179 HD22 LEU 706 HD22 LEU 706 37.398 2.412 -6.242 180 HD23 LEU 706 HD23 LEU 706 38.882 3.032 -5.518 181 H ILE 707 HN ILE 707 34.161 1.579 -2.840 182 HA ILE 707 HA ILE 707 32.607 3.607 -4.041 183 HB ILE 707 HB ILE 707 31.827 0.978 -2.781 184 HG12 ILE 707 HG12 ILE 707 33.241 0.836 -4.802 185 HG13 ILE 707 HG11 ILE 707 31.622 0.230 -5.114 186 HG21 ILE 707 HG21 ILE 707 29.739 1.451 -4.345 187 HG22 ILE 707 HG22 ILE 707 30.170 3.131 -4.025 188 HG23 ILE 707 HG23 ILE 707 29.787 2.049 -2.686 189 HD11 ILE 707 HD11 ILE 707 31.779 1.577 -6.954 190 HD12 ILE 707 HD12 ILE 707 33.006 2.606 -6.222 191 HD13 ILE 707 HD13 ILE 707 31.309 2.849 -5.830 192 H GLY 708 HN GLY 708 32.653 2.386 -0.709 193 HA2 GLY 708 HA2 GLY 708 30.447 3.916 0.210 194 HA3 GLY 708 HA1 GLY 708 31.695 3.203 1.226 195 H LEU 709 HN LEU 709 33.950 4.466 0.331 196 HA LEU 709 HA LEU 709 33.821 6.996 1.606 197 HB2 LEU 709 HB2 LEU 709 35.938 5.400 0.223 198 HB3 LEU 709 HB1 LEU 709 36.233 7.104 0.543 199 HG LEU 709 HG LEU 709 37.018 5.457 2.339 200 HD11 LEU 709 HD11 LEU 709 35.670 8.003 2.590 201 HD12 LEU 709 HD12 LEU 709 37.040 7.373 3.501 202 HD13 LEU 709 HD13 LEU 709 35.396 7.024 4.030 203 HD21 LEU 709 HD21 LEU 709 34.767 4.159 2.163 204 HD22 LEU 709 HD22 LEU 709 34.134 5.417 3.222 205 HD23 LEU 709 HD23 LEU 709 35.470 4.406 3.756 206 H ALA 710 HN ALA 710 33.896 5.927 -1.749 207 HA ALA 710 HA ALA 710 34.617 8.068 -3.184 208 HB1 ALA 710 HB1 ALA 710 33.816 6.626 -4.697 209 HB2 ALA 710 HB2 ALA 710 32.278 7.461 -4.498 210 HB3 ALA 710 HB3 ALA 710 32.608 5.991 -3.584 211 HA PRO 711 HA PRO 711 30.498 10.506 -2.850 212 HB2 PRO 711 HB2 PRO 711 28.797 9.778 -0.800 213 HB3 PRO 711 HB1 PRO 711 28.637 9.241 -2.483 214 HG2 PRO 711 HG2 PRO 711 29.808 7.820 -0.145 215 HG3 PRO 711 HG1 PRO 711 28.812 7.191 -1.471 216 HD2 PRO 711 HD2 PRO 711 31.494 6.833 -1.402 217 HD3 PRO 711 HD1 PRO 711 30.612 7.023 -2.929 218 H LEU 712 HN LEU 712 31.986 9.298 0.140 219 HA LEU 712 HA LEU 712 31.466 11.614 1.705 220 HB2 LEU 712 HB2 LEU 712 33.421 9.343 1.909 221 HB3 LEU 712 HB1 LEU 712 33.591 10.750 2.955 222 HG LEU 712 HG LEU 712 31.270 10.458 3.736 223 HD11 LEU 712 HD11 LEU 712 30.391 8.016 3.066 224 HD12 LEU 712 HD12 LEU 712 31.313 8.370 1.606 225 HD13 LEU 712 HD13 LEU 712 30.003 9.440 2.102 226 HD21 LEU 712 HD21 LEU 712 33.263 9.251 4.791 227 HD22 LEU 712 HD22 LEU 712 32.725 7.810 3.927 228 HD23 LEU 712 HD23 LEU 712 31.677 8.559 5.133 229 H LEU 713 HN LEU 713 34.178 10.597 -0.376 230 HA LEU 713 HA LEU 713 35.758 12.899 0.105 231 HB2 LEU 713 HB2 LEU 713 35.710 10.799 -2.033 232 HB3 LEU 713 HB1 LEU 713 36.683 12.250 -2.264 233 HG LEU 713 HG LEU 713 37.817 11.819 -0.098 234 HD11 LEU 713 HD11 LEU 713 36.078 10.603 1.077 235 HD12 LEU 713 HD12 LEU 713 37.486 9.552 0.932 236 HD13 LEU 713 HD13 LEU 713 36.104 9.326 -0.136 237 HD21 LEU 713 HD21 LEU 713 38.899 10.968 -2.077 238 HD22 LEU 713 HD22 LEU 713 37.819 9.575 -2.135 239 HD23 LEU 713 HD23 LEU 713 39.011 9.715 -0.843 240 H ILE 714 HN ILE 714 33.316 12.109 -2.348 241 HA ILE 714 HA ILE 714 33.600 14.503 -3.834 242 HB ILE 714 HB ILE 714 31.238 12.644 -3.474 243 HG12 ILE 714 HG12 ILE 714 33.104 13.020 -5.832 244 HG13 ILE 714 HG11 ILE 714 33.370 11.806 -4.581 245 HG21 ILE 714 HG21 ILE 714 30.836 13.935 -5.848 246 HG22 ILE 714 HG22 ILE 714 31.529 15.233 -4.876 247 HG23 ILE 714 HG23 ILE 714 30.071 14.406 -4.330 248 HD11 ILE 714 HD11 ILE 714 30.809 12.023 -6.182 249 HD12 ILE 714 HD12 ILE 714 31.273 10.722 -5.086 250 HD13 ILE 714 HD13 ILE 714 32.138 10.944 -6.607 251 H TRP 715 HN TRP 715 31.463 13.591 -1.120 252 HA TRP 715 HA TRP 715 30.137 16.091 -0.975 253 HB2 TRP 715 HB2 TRP 715 29.158 14.175 0.115 254 HB3 TRP 715 HB1 TRP 715 30.607 13.929 1.090 255 HD1 TRP 715 HD1 TRP 715 30.678 15.095 3.359 256 HE1 TRP 715 HE1 TRP 715 29.271 16.908 4.532 257 HE3 TRP 715 HE3 TRP 715 27.628 16.477 -0.497 258 HZ2 TRP 715 HZ2 TRP 715 27.133 18.709 3.917 259 HZ3 TRP 715 HZ3 TRP 715 25.919 18.242 -0.177 260 HH2 TRP 715 HH2 TRP 715 25.667 19.359 2.023 261 H ALA 716 HN ALA 716 32.928 14.701 0.710 262 HA ALA 716 HA ALA 716 33.497 16.839 2.410 263 HB1 ALA 716 HB1 ALA 716 35.727 15.910 2.589 264 HB2 ALA 716 HB2 ALA 716 35.506 15.001 1.096 265 HB3 ALA 716 HB3 ALA 716 34.563 14.588 2.528 266 H LEU 717 HN LEU 717 34.716 16.183 -0.882 267 HA LEU 717 HA LEU 717 36.322 18.481 -1.047 268 HB2 LEU 717 HB2 LEU 717 35.050 16.749 -3.157 269 HB3 LEU 717 HB1 LEU 717 36.110 18.101 -3.550 270 HG LEU 717 HG LEU 717 36.900 15.848 -1.677 271 HD11 LEU 717 HD11 LEU 717 36.851 14.631 -3.622 272 HD12 LEU 717 HD12 LEU 717 38.411 15.418 -3.865 273 HD13 LEU 717 HD13 LEU 717 36.967 16.064 -4.644 274 HD21 LEU 717 HD21 LEU 717 38.129 18.363 -2.524 275 HD22 LEU 717 HD22 LEU 717 39.154 16.977 -2.878 276 HD23 LEU 717 HD23 LEU 717 38.601 17.266 -1.230 277 H LEU 718 HN LEU 718 32.944 17.862 -2.042 278 HA LEU 718 HA LEU 718 32.556 20.432 -3.170 279 HB2 LEU 718 HB2 LEU 718 30.635 18.384 -2.064 280 HB3 LEU 718 HB1 LEU 718 30.099 19.891 -2.804 281 HG LEU 718 HG LEU 718 31.947 17.916 -4.175 282 HD11 LEU 718 HD11 LEU 718 29.890 17.314 -5.500 283 HD12 LEU 718 HD12 LEU 718 28.938 18.219 -4.323 284 HD13 LEU 718 HD13 LEU 718 29.841 16.791 -3.816 285 HD21 LEU 718 HD21 LEU 718 30.917 20.580 -4.819 286 HD22 LEU 718 HD22 LEU 718 30.515 19.395 -6.059 287 HD23 LEU 718 HD23 LEU 718 32.197 19.653 -5.599 288 H ILE 719 HN ILE 719 31.890 19.144 0.096 289 HA ILE 719 HA ILE 719 30.806 21.617 1.009 290 HB ILE 719 HB ILE 719 30.516 19.183 2.001 291 HG12 ILE 719 HG12 ILE 719 30.004 20.277 4.235 292 HG13 ILE 719 HG11 ILE 719 30.697 21.760 3.587 293 HG21 ILE 719 HG21 ILE 719 32.678 20.274 3.807 294 HG22 ILE 719 HG22 ILE 719 33.006 19.092 2.546 295 HG23 ILE 719 HG23 ILE 719 31.914 18.688 3.859 296 HD11 ILE 719 HD11 ILE 719 28.794 20.678 1.697 297 HD12 ILE 719 HD12 ILE 719 28.776 22.238 2.517 298 HD13 ILE 719 HD13 ILE 719 28.042 20.830 3.284 299 H THR 720 HN THR 720 33.996 20.050 1.228 300 HA THR 720 HA THR 720 35.140 22.129 2.838 301 HB THR 720 HB THR 720 37.317 21.235 2.071 302 HG1 THR 720 HG1 THR 720 35.619 19.743 0.375 303 HG21 THR 720 HG21 THR 720 36.464 18.673 2.604 304 HG22 THR 720 HG22 THR 720 35.154 19.647 3.275 305 HG23 THR 720 HG23 THR 720 36.809 19.900 3.822 306 H ILE 721 HN ILE 721 34.833 21.549 -0.671 307 HA ILE 721 HA ILE 721 36.371 23.892 -1.393 308 HB ILE 721 HB ILE 721 34.383 22.282 -2.985 309 HG12 ILE 721 HG12 ILE 721 37.351 22.663 -3.402 310 HG13 ILE 721 HG11 ILE 721 36.736 21.399 -2.348 311 HG21 ILE 721 HG21 ILE 721 35.825 24.837 -3.621 312 HG22 ILE 721 HG22 ILE 721 34.168 24.368 -4.008 313 HG23 ILE 721 HG23 ILE 721 35.517 23.661 -4.897 314 HD11 ILE 721 HD11 ILE 721 35.441 20.456 -4.207 315 HD12 ILE 721 HD12 ILE 721 37.140 20.581 -4.666 316 HD13 ILE 721 HD13 ILE 721 35.975 21.765 -5.259 317 H HIS 722 HN HIS 722 32.947 23.321 -0.811 318 HA HIS 722 HA HIS 722 32.027 25.860 -1.736 319 HB2 HIS 722 HB2 HIS 722 30.911 23.743 0.047 320 HB3 HIS 722 HB1 HIS 722 30.197 25.356 0.115 321 HD1 HIS 722 HD1 HIS 722 30.847 22.521 -2.288 322 HD2 HIS 722 HD2 HIS 722 28.706 26.095 -2.138 323 HE1 HIS 722 HE1 HIS 722 29.289 22.518 -4.293 324 H ASP 723 HN ASP 723 33.359 24.769 1.342 325 HA ASP 723 HA ASP 723 32.804 27.289 2.692 326 HB2 ASP 723 HB2 ASP 723 34.462 24.885 3.388 327 HB3 ASP 723 HB1 ASP 723 34.498 26.339 4.380 328 H ARG 724 HN ARG 724 35.550 25.807 1.055 329 HA ARG 724 HA ARG 724 37.465 27.812 1.698 330 HB2 ARG 724 HB2 ARG 724 38.076 25.542 0.888 331 HB3 ARG 724 HB1 ARG 724 37.409 25.953 -0.694 332 HG2 ARG 724 HG2 ARG 724 39.020 27.828 -0.882 333 HG3 ARG 724 HG1 ARG 724 39.693 27.400 0.688 334 HD2 ARG 724 HD2 ARG 724 40.229 25.126 -0.242 335 HD3 ARG 724 HD1 ARG 724 39.707 25.699 -1.821 336 HE ARG 724 HE ARG 724 41.725 27.381 -0.631 337 HH11 ARG 724 HH21 ARG 724 41.069 24.489 -2.419 338 HH12 ARG 724 HH22 ARG 724 42.611 24.458 -3.208 339 HH21 ARG 724 HH11 ARG 724 43.754 27.347 -1.668 340 HH22 ARG 724 HH12 ARG 724 44.128 26.075 -2.783 341 H LYS 725 HN LYS 725 37.915 29.721 0.781 342 HA LYS 725 HA LYS 725 36.385 30.501 -1.633 343 HB2 LYS 725 HB2 LYS 725 37.049 32.154 0.812 344 HB3 LYS 725 HB1 LYS 725 36.368 32.810 -0.677 345 HG2 LYS 725 HG2 LYS 725 34.419 31.321 -0.450 346 HG3 LYS 725 HG1 LYS 725 35.097 30.657 1.037 347 HD2 LYS 725 HD2 LYS 725 35.025 32.895 2.075 348 HD3 LYS 725 HD1 LYS 725 34.340 33.562 0.592 349 HE2 LYS 725 HE2 LYS 725 32.390 32.071 0.812 350 HE3 LYS 725 HE1 LYS 725 33.074 31.387 2.287 351 HZ1 LYS 725 HZ1 LYS 725 32.479 34.270 1.930 352 HZ2 LYS 725 HZ2 LYS 725 32.907 33.478 3.371 353 HZ3 LYS 725 HZ3 LYS 725 31.401 33.173 2.646 354 H GLU 726 HN GLU 726 37.444 31.710 -3.170 355 HA GLU 726 HA GLU 726 40.260 31.416 -3.371 356 HB2 GLU 726 HB2 GLU 726 38.749 31.569 -5.332 357 HB3 GLU 726 HB1 GLU 726 38.430 33.258 -4.936 358 HG2 GLU 726 HG2 GLU 726 40.811 33.793 -5.211 359 HG3 GLU 726 HG1 GLU 726 41.165 32.099 -5.548 360 H PHE 727 HN PHE 727 38.163 34.111 -2.445 361 HA PHE 727 HA PHE 727 40.456 35.879 -2.075 362 HB2 PHE 727 HB2 PHE 727 37.481 36.284 -1.699 363 HB3 PHE 727 HB1 PHE 727 38.692 37.528 -1.384 364 HD1 PHE 727 HD2 PHE 727 40.091 38.422 -3.235 365 HD2 PHE 727 HD1 PHE 727 36.896 35.641 -3.947 366 HE1 PHE 727 HE2 PHE 727 40.136 38.988 -5.649 367 HE2 PHE 727 HE1 PHE 727 36.942 36.207 -6.362 368 HZ PHE 727 HZ PHE 727 38.561 37.880 -7.213 Start of MODEL 5 1 H2 PRO 685 HT1 PRO 685 44.887 -17.722 -22.847 2 H3 PRO 685 HT2 PRO 685 46.455 -18.381 -22.853 3 HA PRO 685 HA PRO 685 47.308 -16.518 -23.646 4 HB2 PRO 685 HB2 PRO 685 45.690 -15.679 -25.781 5 HB3 PRO 685 HB1 PRO 685 47.120 -16.725 -25.903 6 HG2 PRO 685 HG2 PRO 685 44.256 -17.440 -25.909 7 HG3 PRO 685 HG1 PRO 685 45.630 -18.255 -26.670 8 HD2 PRO 685 HD2 PRO 685 44.406 -19.225 -24.427 9 HD3 PRO 685 HD1 PRO 685 46.129 -19.488 -24.768 10 H GLU 686 HN GLU 686 44.449 -16.730 -22.165 11 HA GLU 686 HA GLU 686 43.257 -14.181 -22.527 12 HB2 GLU 686 HB2 GLU 686 43.147 -16.102 -20.188 13 HB3 GLU 686 HB1 GLU 686 42.125 -14.675 -20.355 14 HG2 GLU 686 HG2 GLU 686 42.256 -16.944 -22.363 15 HG3 GLU 686 HG1 GLU 686 41.000 -16.759 -21.139 16 H SER 687 HN SER 687 45.729 -15.395 -20.310 17 HA SER 687 HA SER 687 47.260 -14.286 -18.999 18 HB2 SER 687 HB2 SER 687 46.446 -11.683 -20.250 19 HB3 SER 687 HB1 SER 687 48.037 -12.205 -19.705 20 HG SER 687 HG SER 687 48.356 -13.044 -21.599 21 HA PRO 688 HA PRO 688 43.612 -12.680 -16.502 22 HB2 PRO 688 HB2 PRO 688 43.404 -14.719 -14.735 23 HB3 PRO 688 HB1 PRO 688 42.621 -14.767 -16.330 24 HG2 PRO 688 HG2 PRO 688 45.197 -16.007 -15.456 25 HG3 PRO 688 HG1 PRO 688 43.878 -16.711 -16.411 26 HD2 PRO 688 HD2 PRO 688 46.138 -15.726 -17.569 27 HD3 PRO 688 HD1 PRO 688 44.554 -15.666 -18.374 28 H LYS 689 HN LYS 689 43.700 -11.801 -14.384 29 HA LYS 689 HA LYS 689 46.344 -11.961 -13.062 30 HB2 LYS 689 HB2 LYS 689 44.595 -9.529 -13.489 31 HB3 LYS 689 HB1 LYS 689 46.009 -9.563 -12.436 32 HG2 LYS 689 HG2 LYS 689 47.430 -10.190 -14.350 33 HG3 LYS 689 HG1 LYS 689 46.019 -10.172 -15.408 34 HD2 LYS 689 HD2 LYS 689 45.672 -7.780 -14.917 35 HD3 LYS 689 HD1 LYS 689 47.079 -7.792 -13.852 36 HE2 LYS 689 HE2 LYS 689 48.520 -8.426 -15.751 37 HE3 LYS 689 HE1 LYS 689 47.117 -8.425 -16.820 38 HZ1 LYS 689 HZ1 LYS 689 48.570 -6.335 -16.704 39 HZ2 LYS 689 HZ2 LYS 689 47.796 -6.040 -15.220 40 HZ3 LYS 689 HZ3 LYS 689 46.886 -6.143 -16.651 41 H GLY 690 HN GLY 690 46.350 -11.998 -10.837 42 HA2 GLY 690 HA2 GLY 690 45.551 -12.477 -8.734 43 HA3 GLY 690 HA1 GLY 690 44.244 -11.365 -9.119 44 HA PRO 691 HA PRO 691 42.506 -15.535 -10.739 45 HB2 PRO 691 HB2 PRO 691 44.155 -17.732 -10.588 46 HB3 PRO 691 HB1 PRO 691 44.038 -16.678 -12.009 47 HG2 PRO 691 HG2 PRO 691 46.083 -16.716 -9.845 48 HG3 PRO 691 HG1 PRO 691 46.289 -16.485 -11.591 49 HD2 PRO 691 HD2 PRO 691 46.335 -14.402 -9.842 50 HD3 PRO 691 HD1 PRO 691 45.715 -14.239 -11.501 51 H ASP 692 HN ASP 692 44.544 -15.393 -7.940 52 HA ASP 692 HA ASP 692 43.395 -17.543 -6.490 53 HB2 ASP 692 HB2 ASP 692 45.012 -15.134 -5.731 54 HB3 ASP 692 HB1 ASP 692 44.334 -16.180 -4.490 55 H ILE 693 HN ILE 693 41.793 -17.579 -4.965 56 HA ILE 693 HA ILE 693 39.595 -15.795 -5.364 57 HB ILE 693 HB ILE 693 39.999 -17.972 -3.306 58 HG12 ILE 693 HG12 ILE 693 38.197 -17.938 -5.752 59 HG13 ILE 693 HG11 ILE 693 39.839 -18.596 -5.777 60 HG21 ILE 693 HG21 ILE 693 38.380 -16.445 -2.400 61 HG22 ILE 693 HG22 ILE 693 37.461 -17.766 -3.115 62 HG23 ILE 693 HG23 ILE 693 37.601 -16.227 -3.966 63 HD11 ILE 693 HD11 ILE 693 39.291 -20.162 -3.995 64 HD12 ILE 693 HD12 ILE 693 38.120 -20.351 -5.300 65 HD13 ILE 693 HD13 ILE 693 37.680 -19.466 -3.839 66 H LEU 694 HN LEU 694 41.969 -16.316 -2.833 67 HA LEU 694 HA LEU 694 40.953 -14.475 -0.954 68 HB2 LEU 694 HB2 LEU 694 43.676 -15.671 -1.438 69 HB3 LEU 694 HB1 LEU 694 43.467 -14.383 -0.251 70 HG LEU 694 HG LEU 694 41.718 -15.715 0.882 71 HD11 LEU 694 HD11 LEU 694 41.626 -18.180 0.151 72 HD12 LEU 694 HD12 LEU 694 42.369 -17.635 -1.353 73 HD13 LEU 694 HD13 LEU 694 40.792 -17.010 -0.872 74 HD21 LEU 694 HD21 LEU 694 43.959 -15.979 1.733 75 HD22 LEU 694 HD22 LEU 694 44.389 -17.076 0.420 76 HD23 LEU 694 HD23 LEU 694 43.242 -17.589 1.659 77 H VAL 695 HN VAL 695 43.148 -14.178 -3.705 78 HA VAL 695 HA VAL 695 43.884 -11.469 -3.233 79 HB VAL 695 HB VAL 695 43.862 -13.129 -5.762 80 HG11 VAL 695 HG11 VAL 695 44.589 -10.262 -5.233 81 HG12 VAL 695 HG12 VAL 695 43.758 -10.957 -6.624 82 HG13 VAL 695 HG13 VAL 695 45.496 -11.180 -6.435 83 HG21 VAL 695 HG21 VAL 695 45.452 -13.736 -3.908 84 HG22 VAL 695 HG22 VAL 695 46.115 -12.107 -4.002 85 HG23 VAL 695 HG23 VAL 695 46.275 -13.200 -5.375 86 H VAL 696 HN VAL 696 41.388 -13.027 -5.141 87 HA VAL 696 HA VAL 696 40.247 -10.692 -6.239 88 HB VAL 696 HB VAL 696 39.086 -13.420 -5.645 89 HG11 VAL 696 HG11 VAL 696 37.508 -12.416 -7.589 90 HG12 VAL 696 HG12 VAL 696 37.894 -10.924 -6.732 91 HG13 VAL 696 HG13 VAL 696 37.123 -12.258 -5.876 92 HG21 VAL 696 HG21 VAL 696 39.756 -14.011 -7.770 93 HG22 VAL 696 HG22 VAL 696 41.009 -12.819 -7.423 94 HG23 VAL 696 HG23 VAL 696 39.603 -12.366 -8.387 95 H LEU 697 HN LEU 697 39.615 -12.574 -3.287 96 HA LEU 697 HA LEU 697 37.358 -11.118 -2.442 97 HB2 LEU 697 HB2 LEU 697 37.969 -13.289 -1.483 98 HB3 LEU 697 HB1 LEU 697 39.432 -12.591 -0.795 99 HG LEU 697 HG LEU 697 38.088 -11.103 0.624 100 HD11 LEU 697 HD11 LEU 697 36.122 -10.585 -0.507 101 HD12 LEU 697 HD12 LEU 697 35.531 -11.786 0.641 102 HD13 LEU 697 HD13 LEU 697 35.862 -12.249 -1.028 103 HD21 LEU 697 HD21 LEU 697 37.313 -12.749 2.149 104 HD22 LEU 697 HD22 LEU 697 38.599 -13.548 1.244 105 HD23 LEU 697 HD23 LEU 697 36.910 -13.874 0.852 106 H LEU 698 HN LEU 698 40.812 -10.602 -1.764 107 HA LEU 698 HA LEU 698 40.457 -8.484 0.082 108 HB2 LEU 698 HB2 LEU 698 42.768 -9.223 -1.718 109 HB3 LEU 698 HB1 LEU 698 42.846 -7.904 -0.553 110 HG LEU 698 HG LEU 698 42.114 -10.757 0.173 111 HD11 LEU 698 HD11 LEU 698 44.705 -9.489 -0.318 112 HD12 LEU 698 HD12 LEU 698 44.308 -11.197 -0.137 113 HD13 LEU 698 HD13 LEU 698 44.585 -10.199 1.291 114 HD21 LEU 698 HD21 LEU 698 41.342 -9.546 1.974 115 HD22 LEU 698 HD22 LEU 698 42.429 -8.193 1.675 116 HD23 LEU 698 HD23 LEU 698 43.035 -9.657 2.445 117 H SER 699 HN SER 699 40.926 -8.598 -3.410 118 HA SER 699 HA SER 699 40.984 -5.814 -3.852 119 HB2 SER 699 HB2 SER 699 40.431 -6.436 -6.189 120 HB3 SER 699 HB1 SER 699 41.744 -7.411 -5.529 121 HG SER 699 HG SER 699 40.034 -8.944 -4.947 122 H VAL 700 HN VAL 700 38.391 -8.145 -3.469 123 HA VAL 700 HA VAL 700 36.272 -6.492 -4.420 124 HB VAL 700 HB VAL 700 36.275 -8.835 -2.505 125 HG11 VAL 700 HG11 VAL 700 34.262 -7.876 -1.926 126 HG12 VAL 700 HG12 VAL 700 33.748 -8.739 -3.376 127 HG13 VAL 700 HG13 VAL 700 34.112 -7.016 -3.457 128 HG21 VAL 700 HG21 VAL 700 34.947 -9.085 -5.096 129 HG22 VAL 700 HG22 VAL 700 36.159 -10.130 -4.356 130 HG23 VAL 700 HG23 VAL 700 36.661 -8.702 -5.260 131 H MET 701 HN MET 701 37.630 -7.127 -1.215 132 HA MET 701 HA MET 701 35.861 -5.460 0.219 133 HB2 MET 701 HB2 MET 701 38.708 -6.299 0.831 134 HB3 MET 701 HB1 MET 701 37.643 -5.486 1.974 135 HG2 MET 701 HG2 MET 701 37.072 -8.158 0.656 136 HG3 MET 701 HG1 MET 701 37.648 -7.951 2.306 137 HE1 MET 701 HE1 MET 701 34.877 -6.594 4.323 138 HE2 MET 701 HE2 MET 701 35.862 -5.404 3.480 139 HE3 MET 701 HE3 MET 701 36.606 -6.881 4.085 140 H GLY 702 HN GLY 702 38.920 -4.883 -1.452 141 HA2 GLY 702 HA2 GLY 702 39.349 -2.232 -0.524 142 HA3 GLY 702 HA1 GLY 702 39.999 -2.919 -2.011 143 H ALA 703 HN ALA 703 37.618 -3.539 -3.333 144 HA ALA 703 HA ALA 703 36.986 -1.067 -4.539 145 HB1 ALA 703 HB1 ALA 703 34.914 -3.034 -4.960 146 HB2 ALA 703 HB2 ALA 703 36.507 -3.784 -5.075 147 HB3 ALA 703 HB3 ALA 703 36.103 -2.406 -6.101 148 H ILE 704 HN ILE 704 35.313 -3.004 -2.082 149 HA ILE 704 HA ILE 704 32.919 -1.513 -2.034 150 HB ILE 704 HB ILE 704 34.305 -3.137 0.112 151 HG12 ILE 704 HG12 ILE 704 31.838 -3.753 -1.534 152 HG13 ILE 704 HG11 ILE 704 33.459 -4.255 -2.013 153 HG21 ILE 704 HG21 ILE 704 31.931 -3.136 1.110 154 HG22 ILE 704 HG22 ILE 704 31.623 -1.741 0.076 155 HG23 ILE 704 HG23 ILE 704 32.878 -1.663 1.313 156 HD11 ILE 704 HD11 ILE 704 32.857 -4.896 0.780 157 HD12 ILE 704 HD12 ILE 704 33.499 -5.933 -0.494 158 HD13 ILE 704 HD13 ILE 704 31.758 -5.684 -0.353 159 H LEU 705 HN LEU 705 35.952 -1.168 -0.192 160 HA LEU 705 HA LEU 705 35.082 0.933 1.474 161 HB2 LEU 705 HB2 LEU 705 37.835 0.192 0.468 162 HB3 LEU 705 HB1 LEU 705 37.547 1.433 1.684 163 HG LEU 705 HG LEU 705 36.584 -1.433 1.935 164 HD11 LEU 705 HD11 LEU 705 38.523 -1.122 3.838 165 HD12 LEU 705 HD12 LEU 705 39.195 -0.181 2.506 166 HD13 LEU 705 HD13 LEU 705 38.788 -1.879 2.266 167 HD21 LEU 705 HD21 LEU 705 35.327 -0.486 3.570 168 HD22 LEU 705 HD22 LEU 705 36.232 1.025 3.517 169 HD23 LEU 705 HD23 LEU 705 36.840 -0.331 4.462 170 H LEU 706 HN LEU 706 36.674 0.986 -1.726 171 HA LEU 706 HA LEU 706 36.983 3.780 -1.903 172 HB2 LEU 706 HB2 LEU 706 38.122 2.216 -3.422 173 HB3 LEU 706 HB1 LEU 706 36.571 1.758 -4.121 174 HG LEU 706 HG LEU 706 36.225 4.067 -4.913 175 HD11 LEU 706 HD11 LEU 706 38.473 5.485 -4.762 176 HD12 LEU 706 HD12 LEU 706 38.710 4.520 -3.305 177 HD13 LEU 706 HD13 LEU 706 37.278 5.536 -3.467 178 HD21 LEU 706 HD21 LEU 706 38.087 4.119 -6.575 179 HD22 LEU 706 HD22 LEU 706 37.379 2.514 -6.401 180 HD23 LEU 706 HD23 LEU 706 38.925 2.883 -5.636 181 H ILE 707 HN ILE 707 34.314 1.650 -2.871 182 HA ILE 707 HA ILE 707 32.737 3.620 -4.131 183 HB ILE 707 HB ILE 707 31.981 1.049 -2.740 184 HG12 ILE 707 HG12 ILE 707 32.050 1.755 -5.683 185 HG13 ILE 707 HG11 ILE 707 33.417 1.030 -4.838 186 HG21 ILE 707 HG21 ILE 707 30.329 3.181 -4.024 187 HG22 ILE 707 HG22 ILE 707 29.918 2.079 -2.709 188 HG23 ILE 707 HG23 ILE 707 29.904 1.505 -4.377 189 HD11 ILE 707 HD11 ILE 707 31.395 -0.391 -6.037 190 HD12 ILE 707 HD12 ILE 707 30.854 -0.337 -4.360 191 HD13 ILE 707 HD13 ILE 707 32.433 -1.015 -4.755 192 H GLY 708 HN GLY 708 32.848 2.511 -0.762 193 HA2 GLY 708 HA2 GLY 708 30.673 4.108 0.163 194 HA3 GLY 708 HA1 GLY 708 31.906 3.348 1.182 195 H LEU 709 HN LEU 709 34.176 4.542 0.119 196 HA LEU 709 HA LEU 709 34.247 7.034 1.462 197 HB2 LEU 709 HB2 LEU 709 36.199 5.620 -0.354 198 HB3 LEU 709 HB1 LEU 709 36.559 7.152 0.436 199 HG LEU 709 HG LEU 709 35.685 4.650 1.911 200 HD11 LEU 709 HD11 LEU 709 38.111 4.577 2.622 201 HD12 LEU 709 HD12 LEU 709 38.443 5.772 1.367 202 HD13 LEU 709 HD13 LEU 709 37.829 4.179 0.927 203 HD21 LEU 709 HD21 LEU 709 35.270 6.329 3.436 204 HD22 LEU 709 HD22 LEU 709 36.426 7.437 2.700 205 HD23 LEU 709 HD23 LEU 709 36.994 6.129 3.734 206 H ALA 710 HN ALA 710 34.018 6.038 -1.900 207 HA ALA 710 HA ALA 710 34.672 8.253 -3.305 208 HB1 ALA 710 HB1 ALA 710 32.781 6.077 -3.715 209 HB2 ALA 710 HB2 ALA 710 33.903 6.832 -4.848 210 HB3 ALA 710 HB3 ALA 710 32.320 7.553 -4.567 211 HA PRO 711 HA PRO 711 30.453 10.479 -2.861 212 HB2 PRO 711 HB2 PRO 711 28.818 9.646 -0.797 213 HB3 PRO 711 HB1 PRO 711 28.656 9.123 -2.484 214 HG2 PRO 711 HG2 PRO 711 29.910 7.727 -0.179 215 HG3 PRO 711 HG1 PRO 711 28.945 7.070 -1.512 216 HD2 PRO 711 HD2 PRO 711 31.652 6.862 -1.435 217 HD3 PRO 711 HD1 PRO 711 30.754 6.983 -2.960 218 H LEU 712 HN LEU 712 31.961 9.247 0.096 219 HA LEU 712 HA LEU 712 31.445 11.543 1.693 220 HB2 LEU 712 HB2 LEU 712 33.563 9.386 1.855 221 HB3 LEU 712 HB1 LEU 712 33.381 10.656 3.061 222 HG LEU 712 HG LEU 712 31.150 8.771 2.239 223 HD11 LEU 712 HD11 LEU 712 32.728 7.367 3.299 224 HD12 LEU 712 HD12 LEU 712 31.614 7.818 4.590 225 HD13 LEU 712 HD13 LEU 712 33.184 8.612 4.462 226 HD21 LEU 712 HD21 LEU 712 31.420 11.032 4.175 227 HD22 LEU 712 HD22 LEU 712 30.485 9.634 4.696 228 HD23 LEU 712 HD23 LEU 712 30.020 10.509 3.240 229 H LEU 713 HN LEU 713 34.122 10.482 -0.382 230 HA LEU 713 HA LEU 713 35.782 12.726 0.101 231 HB2 LEU 713 HB2 LEU 713 35.614 10.788 -2.213 232 HB3 LEU 713 HB1 LEU 713 36.853 12.033 -2.084 233 HG LEU 713 HG LEU 713 36.322 9.950 0.056 234 HD11 LEU 713 HD11 LEU 713 37.117 8.686 -1.765 235 HD12 LEU 713 HD12 LEU 713 38.578 9.052 -0.846 236 HD13 LEU 713 HD13 LEU 713 38.197 9.971 -2.303 237 HD21 LEU 713 HD21 LEU 713 37.610 11.381 1.258 238 HD22 LEU 713 HD22 LEU 713 38.073 12.306 -0.169 239 HD23 LEU 713 HD23 LEU 713 38.945 10.832 0.248 240 H ILE 714 HN ILE 714 33.355 11.986 -2.388 241 HA ILE 714 HA ILE 714 33.696 14.384 -3.862 242 HB ILE 714 HB ILE 714 31.332 12.516 -3.592 243 HG12 ILE 714 HG12 ILE 714 33.270 12.909 -5.887 244 HG13 ILE 714 HG11 ILE 714 33.506 11.693 -4.631 245 HG21 ILE 714 HG21 ILE 714 30.401 14.587 -4.301 246 HG22 ILE 714 HG22 ILE 714 30.656 13.670 -5.786 247 HG23 ILE 714 HG23 ILE 714 31.787 14.945 -5.332 248 HD11 ILE 714 HD11 ILE 714 31.101 11.911 -6.468 249 HD12 ILE 714 HD12 ILE 714 31.288 10.724 -5.178 250 HD13 ILE 714 HD13 ILE 714 32.374 10.694 -6.566 251 H TRP 715 HN TRP 715 31.457 13.462 -1.229 252 HA TRP 715 HA TRP 715 30.084 15.928 -1.140 253 HB2 TRP 715 HB2 TRP 715 29.245 13.866 -0.063 254 HB3 TRP 715 HB1 TRP 715 30.587 13.923 1.078 255 HD1 TRP 715 HD1 TRP 715 30.206 15.255 3.215 256 HE1 TRP 715 HE1 TRP 715 28.445 16.952 4.033 257 HE3 TRP 715 HE3 TRP 715 27.532 15.897 -1.088 258 HZ2 TRP 715 HZ2 TRP 715 26.201 18.392 2.999 259 HZ3 TRP 715 HZ3 TRP 715 25.591 17.437 -1.144 260 HH2 TRP 715 HH2 TRP 715 24.922 18.684 0.893 261 H ALA 716 HN ALA 716 32.865 14.639 0.644 262 HA ALA 716 HA ALA 716 33.310 16.882 2.273 263 HB1 ALA 716 HB1 ALA 716 35.370 14.957 1.165 264 HB2 ALA 716 HB2 ALA 716 34.400 14.679 2.611 265 HB3 ALA 716 HB3 ALA 716 35.567 16.000 2.574 266 H LEU 717 HN LEU 717 34.427 16.102 -1.001 267 HA LEU 717 HA LEU 717 36.187 18.261 -1.308 268 HB2 LEU 717 HB2 LEU 717 36.128 16.287 -2.807 269 HB3 LEU 717 HB1 LEU 717 34.556 16.808 -3.407 270 HG LEU 717 HG LEU 717 35.576 18.927 -4.207 271 HD11 LEU 717 HD11 LEU 717 37.974 17.714 -2.880 272 HD12 LEU 717 HD12 LEU 717 37.448 19.396 -2.919 273 HD13 LEU 717 HD13 LEU 717 38.220 18.682 -4.332 274 HD21 LEU 717 HD21 LEU 717 36.586 16.251 -5.123 275 HD22 LEU 717 HD22 LEU 717 37.200 17.715 -5.892 276 HD23 LEU 717 HD23 LEU 717 35.473 17.358 -5.929 277 H LEU 718 HN LEU 718 32.719 17.869 -2.128 278 HA LEU 718 HA LEU 718 32.419 20.489 -3.178 279 HB2 LEU 718 HB2 LEU 718 30.507 18.403 -2.195 280 HB3 LEU 718 HB1 LEU 718 29.924 20.044 -2.452 281 HG LEU 718 HG LEU 718 30.900 19.910 -4.801 282 HD11 LEU 718 HD11 LEU 718 32.375 17.885 -4.200 283 HD12 LEU 718 HD12 LEU 718 31.514 17.821 -5.732 284 HD13 LEU 718 HD13 LEU 718 30.902 16.929 -4.342 285 HD21 LEU 718 HD21 LEU 718 28.502 19.634 -4.330 286 HD22 LEU 718 HD22 LEU 718 28.752 17.912 -4.041 287 HD23 LEU 718 HD23 LEU 718 29.007 18.581 -5.653 288 H ILE 719 HN ILE 719 31.867 19.115 0.051 289 HA ILE 719 HA ILE 719 30.979 21.529 1.248 290 HB ILE 719 HB ILE 719 32.204 19.030 2.426 291 HG12 ILE 719 HG12 ILE 719 29.984 18.732 1.386 292 HG13 ILE 719 HG11 ILE 719 29.894 18.552 3.133 293 HG21 ILE 719 HG21 ILE 719 30.934 20.151 4.517 294 HG22 ILE 719 HG22 ILE 719 31.434 21.614 3.670 295 HG23 ILE 719 HG23 ILE 719 32.641 20.432 4.176 296 HD11 ILE 719 HD11 ILE 719 29.365 21.215 2.908 297 HD12 ILE 719 HD12 ILE 719 28.119 19.974 2.893 298 HD13 ILE 719 HD13 ILE 719 28.721 20.635 1.375 299 H THR 720 HN THR 720 34.100 19.895 0.990 300 HA THR 720 HA THR 720 35.575 21.807 2.488 301 HB THR 720 HB THR 720 36.471 19.985 0.239 302 HG1 THR 720 HG1 THR 720 35.566 19.268 2.442 303 HG21 THR 720 HG21 THR 720 37.861 21.975 1.922 304 HG22 THR 720 HG22 THR 720 38.317 21.311 0.352 305 HG23 THR 720 HG23 THR 720 38.645 20.400 1.825 306 H ILE 721 HN ILE 721 34.787 21.439 -0.950 307 HA ILE 721 HA ILE 721 36.258 23.722 -1.830 308 HB ILE 721 HB ILE 721 33.974 22.163 -2.997 309 HG12 ILE 721 HG12 ILE 721 36.546 21.546 -2.939 310 HG13 ILE 721 HG11 ILE 721 35.597 21.261 -4.396 311 HG21 ILE 721 HG21 ILE 721 35.140 24.774 -3.942 312 HG22 ILE 721 HG22 ILE 721 33.444 24.301 -3.833 313 HG23 ILE 721 HG23 ILE 721 34.470 23.613 -5.090 314 HD11 ILE 721 HD11 ILE 721 37.045 23.880 -3.986 315 HD12 ILE 721 HD12 ILE 721 36.486 23.150 -5.490 316 HD13 ILE 721 HD13 ILE 721 37.879 22.475 -4.646 317 H HIS 722 HN HIS 722 32.891 23.295 -0.856 318 HA HIS 722 HA HIS 722 32.004 25.915 -1.418 319 HB2 HIS 722 HB2 HIS 722 31.015 23.616 0.178 320 HB3 HIS 722 HB1 HIS 722 30.348 25.200 0.568 321 HD1 HIS 722 HD1 HIS 722 30.660 22.746 -2.288 322 HD2 HIS 722 HD2 HIS 722 28.625 26.271 -1.386 323 HE1 HIS 722 HE1 HIS 722 28.963 23.087 -4.137 324 H ASP 723 HN ASP 723 33.529 24.482 1.412 325 HA ASP 723 HA ASP 723 33.385 25.705 3.596 326 HB2 ASP 723 HB2 ASP 723 35.907 25.891 1.960 327 HB3 ASP 723 HB1 ASP 723 35.839 26.376 3.654 328 H ARG 724 HN ARG 724 35.192 27.761 1.326 329 HA ARG 724 HA ARG 724 34.391 30.139 2.757 330 HB2 ARG 724 HB2 ARG 724 35.974 29.759 0.204 331 HB3 ARG 724 HB1 ARG 724 35.729 31.309 1.011 332 HG2 ARG 724 HG2 ARG 724 36.839 30.481 3.023 333 HG3 ARG 724 HG1 ARG 724 37.008 28.880 2.301 334 HD2 ARG 724 HD2 ARG 724 39.114 30.078 2.065 335 HD3 ARG 724 HD1 ARG 724 38.378 29.889 0.476 336 HE ARG 724 HE ARG 724 37.574 32.360 1.619 337 HH11 ARG 724 HH21 ARG 724 40.290 30.714 0.245 338 HH12 ARG 724 HH22 ARG 724 41.039 32.158 -0.350 339 HH21 ARG 724 HH11 ARG 724 38.548 34.257 0.842 340 HH22 ARG 724 HH12 ARG 724 40.052 34.164 -0.013 341 H LYS 725 HN LYS 725 33.043 31.768 2.048 342 HA LYS 725 HA LYS 725 31.272 31.069 -0.219 343 HB2 LYS 725 HB2 LYS 725 30.725 32.665 2.292 344 HB3 LYS 725 HB1 LYS 725 29.600 32.532 0.940 345 HG2 LYS 725 HG2 LYS 725 29.569 30.078 1.201 346 HG3 LYS 725 HG1 LYS 725 30.692 30.209 2.555 347 HD2 LYS 725 HD2 LYS 725 29.063 31.525 3.821 348 HD3 LYS 725 HD1 LYS 725 27.946 31.494 2.456 349 HE2 LYS 725 HE2 LYS 725 27.305 29.783 4.085 350 HE3 LYS 725 HE1 LYS 725 27.873 29.013 2.603 351 HZ1 LYS 725 HZ1 LYS 725 28.878 28.729 5.202 352 HZ2 LYS 725 HZ2 LYS 725 30.083 29.458 4.252 353 HZ3 LYS 725 HZ3 LYS 725 29.408 27.971 3.781 354 H GLU 726 HN GLU 726 30.749 32.640 -1.722 355 HA GLU 726 HA GLU 726 31.293 34.378 -3.140 356 HB2 GLU 726 HB2 GLU 726 31.130 35.767 -0.457 357 HB3 GLU 726 HB1 GLU 726 31.213 36.618 -2.000 358 HG2 GLU 726 HG2 GLU 726 29.161 35.525 -2.753 359 HG3 GLU 726 HG1 GLU 726 29.092 34.581 -1.266 360 H PHE 727 HN PHE 727 32.993 35.903 -0.486 361 HA PHE 727 HA PHE 727 35.609 35.049 -1.373 362 HB2 PHE 727 HB2 PHE 727 34.658 37.874 -1.880 363 HB3 PHE 727 HB1 PHE 727 36.353 37.390 -1.902 364 HD1 PHE 727 HD2 PHE 727 37.183 35.780 -3.600 365 HD2 PHE 727 HD1 PHE 727 33.151 37.262 -3.663 366 HE1 PHE 727 HE2 PHE 727 36.927 34.985 -5.935 367 HE2 PHE 727 HE1 PHE 727 32.897 36.466 -5.999 368 HZ PHE 727 HZ PHE 727 34.785 35.329 -7.134 Start of MODEL 6 1 H2 PRO 685 HT1 PRO 685 51.546 -27.556 -15.676 2 H3 PRO 685 HT2 PRO 685 53.043 -27.527 -16.483 3 HA PRO 685 HA PRO 685 53.690 -25.867 -15.198 4 HB2 PRO 685 HB2 PRO 685 51.494 -24.007 -15.722 5 HB3 PRO 685 HB1 PRO 685 53.198 -23.895 -16.206 6 HG2 PRO 685 HG2 PRO 685 51.167 -24.388 -17.943 7 HG3 PRO 685 HG1 PRO 685 52.836 -24.920 -18.195 8 HD2 PRO 685 HD2 PRO 685 50.458 -26.522 -17.339 9 HD3 PRO 685 HD1 PRO 685 51.862 -27.017 -18.305 10 H GLU 686 HN GLU 686 53.562 -25.515 -13.053 11 HA GLU 686 HA GLU 686 51.403 -26.531 -11.528 12 HB2 GLU 686 HB2 GLU 686 53.716 -24.730 -10.775 13 HB3 GLU 686 HB1 GLU 686 52.583 -25.414 -9.609 14 HG2 GLU 686 HG2 GLU 686 53.189 -27.681 -10.294 15 HG3 GLU 686 HG1 GLU 686 54.258 -27.042 -11.542 16 H SER 687 HN SER 687 49.666 -25.566 -10.600 17 HA SER 687 HA SER 687 49.412 -22.675 -10.528 18 HB2 SER 687 HB2 SER 687 47.190 -22.825 -11.789 19 HB3 SER 687 HB1 SER 687 48.656 -22.931 -12.758 20 HG SER 687 HG SER 687 48.272 -24.994 -13.131 21 HA PRO 688 HA PRO 688 47.363 -25.125 -7.116 22 HB2 PRO 688 HB2 PRO 688 48.535 -22.947 -5.496 23 HB3 PRO 688 HB1 PRO 688 48.636 -24.701 -5.266 24 HG2 PRO 688 HG2 PRO 688 50.725 -23.236 -6.092 25 HG3 PRO 688 HG1 PRO 688 50.465 -24.908 -6.617 26 HD2 PRO 688 HD2 PRO 688 49.991 -22.365 -8.126 27 HD3 PRO 688 HD1 PRO 688 50.549 -23.946 -8.721 28 H LYS 689 HN LYS 689 45.428 -24.601 -6.118 29 HA LYS 689 HA LYS 689 44.311 -21.945 -6.770 30 HB2 LYS 689 HB2 LYS 689 42.964 -24.590 -6.183 31 HB3 LYS 689 HB1 LYS 689 42.104 -23.068 -6.421 32 HG2 LYS 689 HG2 LYS 689 43.085 -22.854 -8.674 33 HG3 LYS 689 HG1 LYS 689 43.955 -24.372 -8.441 34 HD2 LYS 689 HD2 LYS 689 41.814 -25.566 -8.178 35 HD3 LYS 689 HD1 LYS 689 40.938 -24.052 -8.406 36 HE2 LYS 689 HE2 LYS 689 41.915 -23.819 -10.657 37 HE3 LYS 689 HE1 LYS 689 42.800 -25.327 -10.432 38 HZ1 LYS 689 HZ1 LYS 689 40.113 -24.943 -11.225 39 HZ2 LYS 689 HZ2 LYS 689 40.170 -25.877 -9.807 40 HZ3 LYS 689 HZ3 LYS 689 41.021 -26.376 -11.191 41 H GLY 690 HN GLY 690 43.268 -20.734 -5.197 42 HA2 GLY 690 HA2 GLY 690 42.321 -21.021 -2.789 43 HA3 GLY 690 HA1 GLY 690 43.996 -21.439 -2.432 44 HA PRO 691 HA PRO 691 45.144 -17.232 -2.028 45 HB2 PRO 691 HB2 PRO 691 47.322 -16.912 -3.679 46 HB3 PRO 691 HB1 PRO 691 47.374 -17.728 -2.103 47 HG2 PRO 691 HG2 PRO 691 47.242 -18.895 -4.835 48 HG3 PRO 691 HG1 PRO 691 48.139 -19.446 -3.410 49 HD2 PRO 691 HD2 PRO 691 45.812 -20.620 -4.215 50 HD3 PRO 691 HD1 PRO 691 46.303 -20.545 -2.508 51 H ASP 692 HN ASP 692 44.506 -18.368 -5.236 52 HA ASP 692 HA ASP 692 44.507 -15.829 -6.596 53 HB2 ASP 692 HB2 ASP 692 43.371 -18.564 -7.162 54 HB3 ASP 692 HB1 ASP 692 42.886 -17.187 -8.145 55 H ILE 693 HN ILE 693 42.123 -17.798 -4.937 56 HA ILE 693 HA ILE 693 39.862 -16.154 -5.482 57 HB ILE 693 HB ILE 693 40.374 -18.247 -3.351 58 HG12 ILE 693 HG12 ILE 693 38.634 -18.359 -5.842 59 HG13 ILE 693 HG11 ILE 693 40.309 -18.917 -5.812 60 HG21 ILE 693 HG21 ILE 693 38.599 -17.098 -2.364 61 HG22 ILE 693 HG22 ILE 693 37.702 -18.139 -3.467 62 HG23 ILE 693 HG23 ILE 693 38.023 -16.465 -3.907 63 HD11 ILE 693 HD11 ILE 693 38.721 -20.815 -5.379 64 HD12 ILE 693 HD12 ILE 693 38.111 -19.947 -3.969 65 HD13 ILE 693 HD13 ILE 693 39.779 -20.507 -4.000 66 H LEU 694 HN LEU 694 42.130 -16.400 -2.845 67 HA LEU 694 HA LEU 694 40.901 -14.569 -1.069 68 HB2 LEU 694 HB2 LEU 694 43.793 -15.455 -1.366 69 HB3 LEU 694 HB1 LEU 694 43.241 -14.398 -0.071 70 HG LEU 694 HG LEU 694 42.089 -17.131 -0.656 71 HD11 LEU 694 HD11 LEU 694 44.057 -17.834 0.199 72 HD12 LEU 694 HD12 LEU 694 43.355 -17.349 1.743 73 HD13 LEU 694 HD13 LEU 694 44.444 -16.256 0.884 74 HD21 LEU 694 HD21 LEU 694 41.437 -14.950 1.236 75 HD22 LEU 694 HD22 LEU 694 41.550 -16.555 1.955 76 HD23 LEU 694 HD23 LEU 694 40.430 -16.263 0.626 77 H VAL 695 HN VAL 695 43.135 -14.245 -3.770 78 HA VAL 695 HA VAL 695 43.836 -11.525 -3.327 79 HB VAL 695 HB VAL 695 43.789 -13.195 -5.850 80 HG11 VAL 695 HG11 VAL 695 44.505 -10.317 -5.388 81 HG12 VAL 695 HG12 VAL 695 43.701 -11.061 -6.769 82 HG13 VAL 695 HG13 VAL 695 45.441 -11.253 -6.554 83 HG21 VAL 695 HG21 VAL 695 45.853 -13.861 -5.238 84 HG22 VAL 695 HG22 VAL 695 45.466 -13.222 -3.641 85 HG23 VAL 695 HG23 VAL 695 46.339 -12.221 -4.803 86 H VAL 696 HN VAL 696 41.320 -13.101 -5.204 87 HA VAL 696 HA VAL 696 40.170 -10.767 -6.331 88 HB VAL 696 HB VAL 696 38.983 -13.472 -5.677 89 HG11 VAL 696 HG11 VAL 696 37.054 -12.206 -5.862 90 HG12 VAL 696 HG12 VAL 696 37.346 -12.571 -7.563 91 HG13 VAL 696 HG13 VAL 696 37.817 -11.005 -6.904 92 HG21 VAL 696 HG21 VAL 696 39.606 -14.108 -7.803 93 HG22 VAL 696 HG22 VAL 696 40.896 -12.949 -7.476 94 HG23 VAL 696 HG23 VAL 696 39.499 -12.467 -8.439 95 H LEU 697 HN LEU 697 39.518 -12.558 -3.291 96 HA LEU 697 HA LEU 697 37.288 -10.957 -2.537 97 HB2 LEU 697 HB2 LEU 697 39.127 -12.789 -1.067 98 HB3 LEU 697 HB1 LEU 697 38.101 -11.711 -0.127 99 HG LEU 697 HG LEU 697 36.116 -12.604 -1.456 100 HD11 LEU 697 HD11 LEU 697 36.341 -14.583 -2.751 101 HD12 LEU 697 HD12 LEU 697 37.993 -14.837 -2.209 102 HD13 LEU 697 HD13 LEU 697 37.622 -13.517 -3.317 103 HD21 LEU 697 HD21 LEU 697 36.121 -13.550 0.629 104 HD22 LEU 697 HD22 LEU 697 37.785 -14.114 0.489 105 HD23 LEU 697 HD23 LEU 697 36.482 -15.007 -0.296 106 H LEU 698 HN LEU 698 40.748 -10.545 -1.868 107 HA LEU 698 HA LEU 698 40.472 -8.386 -0.050 108 HB2 LEU 698 HB2 LEU 698 42.743 -9.210 -1.878 109 HB3 LEU 698 HB1 LEU 698 42.870 -7.886 -0.725 110 HG LEU 698 HG LEU 698 42.088 -10.719 0.031 111 HD11 LEU 698 HD11 LEU 698 44.716 -9.476 -0.435 112 HD12 LEU 698 HD12 LEU 698 44.279 -11.181 -0.338 113 HD13 LEU 698 HD13 LEU 698 44.562 -10.259 1.138 114 HD21 LEU 698 HD21 LEU 698 41.447 -9.645 1.931 115 HD22 LEU 698 HD22 LEU 698 42.252 -8.150 1.461 116 HD23 LEU 698 HD23 LEU 698 43.169 -9.436 2.240 117 H SER 699 HN SER 699 40.912 -8.580 -3.553 118 HA SER 699 HA SER 699 41.021 -5.802 -4.051 119 HB2 SER 699 HB2 SER 699 40.453 -6.472 -6.380 120 HB3 SER 699 HB1 SER 699 41.752 -7.451 -5.702 121 HG SER 699 HG SER 699 40.037 -8.961 -5.096 122 H VAL 700 HN VAL 700 38.409 -8.125 -3.683 123 HA VAL 700 HA VAL 700 36.293 -6.447 -4.612 124 HB VAL 700 HB VAL 700 36.298 -8.827 -2.737 125 HG11 VAL 700 HG11 VAL 700 34.132 -6.986 -3.662 126 HG12 VAL 700 HG12 VAL 700 34.281 -7.866 -2.141 127 HG13 VAL 700 HG13 VAL 700 33.764 -8.710 -3.602 128 HG21 VAL 700 HG21 VAL 700 34.960 -9.040 -5.323 129 HG22 VAL 700 HG22 VAL 700 36.202 -10.076 -4.620 130 HG23 VAL 700 HG23 VAL 700 36.664 -8.619 -5.501 131 H MET 701 HN MET 701 37.635 -7.181 -1.429 132 HA MET 701 HA MET 701 35.894 -5.566 0.075 133 HB2 MET 701 HB2 MET 701 37.369 -7.282 1.072 134 HB3 MET 701 HB1 MET 701 38.774 -6.299 0.665 135 HG2 MET 701 HG2 MET 701 37.949 -4.482 2.092 136 HG3 MET 701 HG1 MET 701 36.496 -5.408 2.456 137 HE1 MET 701 HE1 MET 701 40.164 -5.085 2.475 138 HE2 MET 701 HE2 MET 701 40.380 -6.824 2.292 139 HE3 MET 701 HE3 MET 701 40.786 -6.049 3.822 140 H GLY 702 HN GLY 702 38.963 -4.916 -1.553 141 HA2 GLY 702 HA2 GLY 702 39.371 -2.296 -0.555 142 HA3 GLY 702 HA1 GLY 702 40.030 -2.928 -2.062 143 H ALA 703 HN ALA 703 37.619 -3.519 -3.372 144 HA ALA 703 HA ALA 703 36.990 -1.036 -4.543 145 HB1 ALA 703 HB1 ALA 703 35.643 -2.234 -5.983 146 HB2 ALA 703 HB2 ALA 703 35.053 -3.304 -4.711 147 HB3 ALA 703 HB3 ALA 703 36.669 -3.535 -5.378 148 H ILE 704 HN ILE 704 35.404 -2.933 -2.011 149 HA ILE 704 HA ILE 704 33.001 -1.468 -1.899 150 HB ILE 704 HB ILE 704 34.482 -3.034 0.221 151 HG12 ILE 704 HG12 ILE 704 31.966 -3.701 -1.336 152 HG13 ILE 704 HG11 ILE 704 33.578 -4.202 -1.852 153 HG21 ILE 704 HG21 ILE 704 32.139 -3.035 1.296 154 HG22 ILE 704 HG22 ILE 704 31.792 -1.658 0.251 155 HG23 ILE 704 HG23 ILE 704 33.085 -1.554 1.445 156 HD11 ILE 704 HD11 ILE 704 33.146 -4.815 0.955 157 HD12 ILE 704 HD12 ILE 704 33.608 -5.892 -0.362 158 HD13 ILE 704 HD13 ILE 704 31.904 -5.557 -0.054 159 H LEU 705 HN LEU 705 36.091 -1.016 -0.148 160 HA LEU 705 HA LEU 705 35.183 1.113 1.470 161 HB2 LEU 705 HB2 LEU 705 37.897 0.199 0.582 162 HB3 LEU 705 HB1 LEU 705 37.733 1.753 1.392 163 HG LEU 705 HG LEU 705 36.528 0.571 3.267 164 HD11 LEU 705 HD11 LEU 705 36.752 -1.874 3.409 165 HD12 LEU 705 HD12 LEU 705 37.504 -1.903 1.817 166 HD13 LEU 705 HD13 LEU 705 35.815 -1.425 1.986 167 HD21 LEU 705 HD21 LEU 705 39.372 0.048 2.490 168 HD22 LEU 705 HD22 LEU 705 38.729 -0.758 3.921 169 HD23 LEU 705 HD23 LEU 705 38.734 1.003 3.829 170 H LEU 706 HN LEU 706 36.663 1.113 -1.770 171 HA LEU 706 HA LEU 706 36.931 3.906 -2.004 172 HB2 LEU 706 HB2 LEU 706 36.540 1.746 -4.080 173 HB3 LEU 706 HB1 LEU 706 36.870 3.425 -4.492 174 HG LEU 706 HG LEU 706 38.628 1.752 -2.673 175 HD11 LEU 706 HD11 LEU 706 38.433 1.896 -5.598 176 HD12 LEU 706 HD12 LEU 706 39.247 0.707 -4.581 177 HD13 LEU 706 HD13 LEU 706 40.055 2.223 -4.986 178 HD21 LEU 706 HD21 LEU 706 39.459 3.805 -2.185 179 HD22 LEU 706 HD22 LEU 706 38.594 4.571 -3.514 180 HD23 LEU 706 HD23 LEU 706 40.139 3.777 -3.810 181 H ILE 707 HN ILE 707 34.239 1.739 -2.806 182 HA ILE 707 HA ILE 707 32.591 3.685 -4.022 183 HB ILE 707 HB ILE 707 31.928 1.098 -2.617 184 HG12 ILE 707 HG12 ILE 707 33.245 0.896 -4.697 185 HG13 ILE 707 HG11 ILE 707 31.624 0.250 -4.905 186 HG21 ILE 707 HG21 ILE 707 29.910 2.282 -2.456 187 HG22 ILE 707 HG22 ILE 707 29.733 1.383 -3.964 188 HG23 ILE 707 HG23 ILE 707 30.154 3.095 -4.001 189 HD11 ILE 707 HD11 ILE 707 31.222 2.828 -5.711 190 HD12 ILE 707 HD12 ILE 707 31.668 1.523 -6.803 191 HD13 ILE 707 HD13 ILE 707 32.907 2.604 -6.172 192 H GLY 708 HN GLY 708 32.802 2.605 -0.639 193 HA2 GLY 708 HA2 GLY 708 30.612 4.161 0.298 194 HA3 GLY 708 HA1 GLY 708 31.879 3.457 1.297 195 H LEU 709 HN LEU 709 34.119 4.702 0.323 196 HA LEU 709 HA LEU 709 34.016 7.243 1.576 197 HB2 LEU 709 HB2 LEU 709 36.100 5.606 0.218 198 HB3 LEU 709 HB1 LEU 709 36.397 7.335 0.407 199 HG LEU 709 HG LEU 709 36.027 7.174 2.817 200 HD11 LEU 709 HD11 LEU 709 34.492 5.537 3.312 201 HD12 LEU 709 HD12 LEU 709 35.962 4.608 3.603 202 HD13 LEU 709 HD13 LEU 709 35.101 4.440 2.078 203 HD21 LEU 709 HD21 LEU 709 37.982 5.831 3.403 204 HD22 LEU 709 HD22 LEU 709 38.288 6.678 1.886 205 HD23 LEU 709 HD23 LEU 709 37.876 4.963 1.871 206 H ALA 710 HN ALA 710 33.960 6.120 -1.747 207 HA ALA 710 HA ALA 710 34.630 8.273 -3.226 208 HB1 ALA 710 HB1 ALA 710 33.900 6.752 -4.699 209 HB2 ALA 710 HB2 ALA 710 32.324 7.522 -4.521 210 HB3 ALA 710 HB3 ALA 710 32.721 6.089 -3.569 211 HA PRO 711 HA PRO 711 30.412 10.531 -2.930 212 HB2 PRO 711 HB2 PRO 711 28.711 9.747 -0.904 213 HB3 PRO 711 HB1 PRO 711 28.604 9.173 -2.579 214 HG2 PRO 711 HG2 PRO 711 29.802 7.852 -0.198 215 HG3 PRO 711 HG1 PRO 711 28.859 7.151 -1.526 216 HD2 PRO 711 HD2 PRO 711 31.559 6.933 -1.404 217 HD3 PRO 711 HD1 PRO 711 30.689 7.034 -2.947 218 H LEU 712 HN LEU 712 31.849 9.348 0.077 219 HA LEU 712 HA LEU 712 31.291 11.644 1.651 220 HB2 LEU 712 HB2 LEU 712 33.427 9.510 1.850 221 HB3 LEU 712 HB1 LEU 712 33.217 10.782 3.050 222 HG LEU 712 HG LEU 712 31.020 8.867 2.206 223 HD11 LEU 712 HD11 LEU 712 33.139 8.695 4.311 224 HD12 LEU 712 HD12 LEU 712 32.432 7.416 3.323 225 HD13 LEU 712 HD13 LEU 712 31.530 8.076 4.688 226 HD21 LEU 712 HD21 LEU 712 30.303 9.735 4.646 227 HD22 LEU 712 HD22 LEU 712 29.855 10.602 3.179 228 HD23 LEU 712 HD23 LEU 712 31.232 11.142 4.135 229 H LEU 713 HN LEU 713 34.001 10.613 -0.386 230 HA LEU 713 HA LEU 713 35.645 12.863 0.112 231 HB2 LEU 713 HB2 LEU 713 35.489 10.937 -2.215 232 HB3 LEU 713 HB1 LEU 713 36.724 12.185 -2.076 233 HG LEU 713 HG LEU 713 36.197 10.080 0.043 234 HD11 LEU 713 HD11 LEU 713 38.283 9.019 -0.801 235 HD12 LEU 713 HD12 LEU 713 38.300 10.170 -2.138 236 HD13 LEU 713 HD13 LEU 713 36.989 9.000 -1.998 237 HD21 LEU 713 HD21 LEU 713 38.102 12.364 -0.258 238 HD22 LEU 713 HD22 LEU 713 38.731 10.877 0.448 239 HD23 LEU 713 HD23 LEU 713 37.364 11.696 1.197 240 H ILE 714 HN ILE 714 33.220 12.124 -2.376 241 HA ILE 714 HA ILE 714 33.552 14.521 -3.849 242 HB ILE 714 HB ILE 714 31.190 12.652 -3.567 243 HG12 ILE 714 HG12 ILE 714 33.121 13.051 -5.870 244 HG13 ILE 714 HG11 ILE 714 33.359 11.832 -4.616 245 HG21 ILE 714 HG21 ILE 714 30.840 13.949 -5.940 246 HG22 ILE 714 HG22 ILE 714 31.516 15.247 -4.957 247 HG23 ILE 714 HG23 ILE 714 30.044 14.423 -4.441 248 HD11 ILE 714 HD11 ILE 714 31.716 10.491 -5.435 249 HD12 ILE 714 HD12 ILE 714 31.946 11.410 -6.923 250 HD13 ILE 714 HD13 ILE 714 30.657 11.852 -5.802 251 H TRP 715 HN TRP 715 31.327 13.606 -1.206 252 HA TRP 715 HA TRP 715 29.969 16.087 -1.115 253 HB2 TRP 715 HB2 TRP 715 29.398 13.767 -0.024 254 HB3 TRP 715 HB1 TRP 715 30.374 14.367 1.314 255 HD1 TRP 715 HD1 TRP 715 28.998 15.551 3.069 256 HE1 TRP 715 HE1 TRP 715 26.838 16.955 3.102 257 HE3 TRP 715 HE3 TRP 715 27.846 15.517 -1.908 258 HZ2 TRP 715 HZ2 TRP 715 24.878 17.933 1.263 259 HZ3 TRP 715 HZ3 TRP 715 25.827 16.690 -2.738 260 HH2 TRP 715 HH2 TRP 715 24.344 17.897 -1.161 261 H ALA 716 HN ALA 716 32.728 14.760 0.683 262 HA ALA 716 HA ALA 716 33.167 16.973 2.350 263 HB1 ALA 716 HB1 ALA 716 34.229 14.773 2.700 264 HB2 ALA 716 HB2 ALA 716 35.426 16.067 2.653 265 HB3 ALA 716 HB3 ALA 716 35.203 15.020 1.251 266 H LEU 717 HN LEU 717 34.411 16.222 -0.899 267 HA LEU 717 HA LEU 717 36.137 18.432 -1.096 268 HB2 LEU 717 HB2 LEU 717 34.780 16.659 -3.109 269 HB3 LEU 717 HB1 LEU 717 35.724 18.052 -3.631 270 HG LEU 717 HG LEU 717 36.792 15.908 -1.768 271 HD11 LEU 717 HD11 LEU 717 36.736 14.612 -3.638 272 HD12 LEU 717 HD12 LEU 717 38.132 15.575 -4.121 273 HD13 LEU 717 HD13 LEU 717 36.524 15.996 -4.710 274 HD21 LEU 717 HD21 LEU 717 38.463 17.405 -1.510 275 HD22 LEU 717 HD22 LEU 717 37.791 18.468 -2.744 276 HD23 LEU 717 HD23 LEU 717 38.858 17.145 -3.207 277 H LEU 718 HN LEU 718 32.723 17.960 -2.011 278 HA LEU 718 HA LEU 718 32.399 20.547 -3.126 279 HB2 LEU 718 HB2 LEU 718 30.427 18.603 -1.921 280 HB3 LEU 718 HB1 LEU 718 29.940 20.126 -2.660 281 HG LEU 718 HG LEU 718 31.612 18.029 -4.075 282 HD11 LEU 718 HD11 LEU 718 28.626 18.495 -4.034 283 HD12 LEU 718 HD12 LEU 718 29.494 17.000 -3.686 284 HD13 LEU 718 HD13 LEU 718 29.430 17.620 -5.336 285 HD21 LEU 718 HD21 LEU 718 30.704 20.742 -4.723 286 HD22 LEU 718 HD22 LEU 718 30.222 19.559 -5.935 287 HD23 LEU 718 HD23 LEU 718 31.923 19.746 -5.515 288 H ILE 719 HN ILE 719 31.848 19.231 0.129 289 HA ILE 719 HA ILE 719 30.917 21.655 1.272 290 HB ILE 719 HB ILE 719 32.177 19.206 2.522 291 HG12 ILE 719 HG12 ILE 719 29.312 20.191 2.577 292 HG13 ILE 719 HG11 ILE 719 29.908 19.033 1.386 293 HG21 ILE 719 HG21 ILE 719 31.046 21.736 3.727 294 HG22 ILE 719 HG22 ILE 719 32.592 20.959 4.070 295 HG23 ILE 719 HG23 ILE 719 31.092 20.221 4.629 296 HD11 ILE 719 HD11 ILE 719 30.399 17.412 3.052 297 HD12 ILE 719 HD12 ILE 719 28.815 18.051 3.492 298 HD13 ILE 719 HD13 ILE 719 30.253 18.590 4.355 299 H THR 720 HN THR 720 34.077 20.054 1.084 300 HA THR 720 HA THR 720 35.488 22.040 2.558 301 HB THR 720 HB THR 720 36.478 20.169 0.391 302 HG1 THR 720 HG1 THR 720 35.503 19.328 2.408 303 HG21 THR 720 HG21 THR 720 38.070 21.943 0.675 304 HG22 THR 720 HG22 THR 720 38.685 20.554 1.571 305 HG23 THR 720 HG23 THR 720 37.906 21.882 2.430 306 H ILE 721 HN ILE 721 34.826 21.526 -0.891 307 HA ILE 721 HA ILE 721 36.264 23.823 -1.796 308 HB ILE 721 HB ILE 721 34.011 22.246 -3.036 309 HG12 ILE 721 HG12 ILE 721 36.535 21.453 -2.655 310 HG13 ILE 721 HG11 ILE 721 35.678 21.073 -4.148 311 HG21 ILE 721 HG21 ILE 721 33.777 24.373 -4.037 312 HG22 ILE 721 HG22 ILE 721 34.813 23.489 -5.155 313 HG23 ILE 721 HG23 ILE 721 35.516 24.662 -4.040 314 HD11 ILE 721 HD11 ILE 721 37.311 23.599 -3.862 315 HD12 ILE 721 HD12 ILE 721 36.783 22.798 -5.341 316 HD13 ILE 721 HD13 ILE 721 38.050 22.076 -4.350 317 H HIS 722 HN HIS 722 32.868 23.345 -0.926 318 HA HIS 722 HA HIS 722 31.911 25.885 -1.652 319 HB2 HIS 722 HB2 HIS 722 31.001 23.718 0.173 320 HB3 HIS 722 HB1 HIS 722 30.305 25.319 0.419 321 HD1 HIS 722 HD1 HIS 722 30.624 22.613 -2.202 322 HD2 HIS 722 HD2 HIS 722 28.527 26.163 -1.587 323 HE1 HIS 722 HE1 HIS 722 28.886 22.746 -4.041 324 H ASP 723 HN ASP 723 33.434 24.737 1.332 325 HA ASP 723 HA ASP 723 34.343 27.358 2.006 326 HB2 ASP 723 HB2 ASP 723 33.080 27.669 4.074 327 HB3 ASP 723 HB1 ASP 723 31.981 27.589 2.698 328 H ARG 724 HN ARG 724 35.528 27.358 4.098 329 HA ARG 724 HA ARG 724 36.332 24.646 4.953 330 HB2 ARG 724 HB2 ARG 724 38.142 26.957 4.228 331 HB3 ARG 724 HB1 ARG 724 38.684 25.532 5.115 332 HG2 ARG 724 HG2 ARG 724 37.984 24.085 3.258 333 HG3 ARG 724 HG1 ARG 724 37.387 25.489 2.374 334 HD2 ARG 724 HD2 ARG 724 39.661 26.438 2.335 335 HD3 ARG 724 HD1 ARG 724 40.262 25.044 3.229 336 HE ARG 724 HE ARG 724 38.983 24.056 0.952 337 HH11 ARG 724 HH21 ARG 724 41.651 26.096 1.788 338 HH12 ARG 724 HH22 ARG 724 42.577 25.694 0.381 339 HH21 ARG 724 HH11 ARG 724 40.193 23.525 -0.896 340 HH22 ARG 724 HH12 ARG 724 41.753 24.239 -1.138 341 H LYS 725 HN LYS 725 36.700 24.398 7.104 342 HA LYS 725 HA LYS 725 36.239 24.862 9.331 343 HB2 LYS 725 HB2 LYS 725 38.267 26.953 8.525 344 HB3 LYS 725 HB1 LYS 725 37.817 26.628 10.199 345 HG2 LYS 725 HG2 LYS 725 38.504 24.280 9.943 346 HG3 LYS 725 HG1 LYS 725 38.929 24.578 8.258 347 HD2 LYS 725 HD2 LYS 725 40.587 26.276 9.001 348 HD3 LYS 725 HD1 LYS 725 40.197 25.893 10.678 349 HE2 LYS 725 HE2 LYS 725 41.203 23.864 8.664 350 HE3 LYS 725 HE1 LYS 725 42.232 24.691 9.833 351 HZ1 LYS 725 HZ1 LYS 725 41.713 22.913 11.087 352 HZ2 LYS 725 HZ2 LYS 725 40.277 22.581 10.243 353 HZ3 LYS 725 HZ3 LYS 725 40.308 23.800 11.427 354 H GLU 726 HN GLU 726 34.493 26.323 7.324 355 HA GLU 726 HA GLU 726 33.428 28.269 9.250 356 HB2 GLU 726 HB2 GLU 726 34.028 28.855 6.347 357 HB3 GLU 726 HB1 GLU 726 32.965 29.849 7.341 358 HG2 GLU 726 HG2 GLU 726 34.784 30.286 8.913 359 HG3 GLU 726 HG1 GLU 726 35.856 29.220 8.010 360 H PHE 727 HN PHE 727 31.199 28.600 9.121 361 HA PHE 727 HA PHE 727 29.540 26.508 8.631 362 HB2 PHE 727 HB2 PHE 727 28.774 28.547 9.731 363 HB3 PHE 727 HB1 PHE 727 28.894 29.438 8.213 364 HD1 PHE 727 HD2 PHE 727 27.238 26.452 9.752 365 HD2 PHE 727 HD1 PHE 727 27.068 29.510 6.739 366 HE1 PHE 727 HE2 PHE 727 24.948 25.723 9.141 367 HE2 PHE 727 HE1 PHE 727 24.777 28.781 6.129 368 HZ PHE 727 HZ PHE 727 23.717 26.887 7.330 Start of MODEL 7 1 H2 PRO 685 HT1 PRO 685 50.472 -17.340 7.602 2 H3 PRO 685 HT2 PRO 685 49.679 -18.709 6.978 3 HA PRO 685 HA PRO 685 48.876 -17.486 5.340 4 HB2 PRO 685 HB2 PRO 685 47.583 -15.396 6.929 5 HB3 PRO 685 HB1 PRO 685 46.844 -16.664 5.929 6 HG2 PRO 685 HG2 PRO 685 46.764 -16.650 8.645 7 HG3 PRO 685 HG1 PRO 685 46.685 -18.119 7.659 8 HD2 PRO 685 HD2 PRO 685 48.980 -17.036 9.245 9 HD3 PRO 685 HD1 PRO 685 48.544 -18.723 8.898 10 H GLU 686 HN GLU 686 50.968 -16.129 7.590 11 HA GLU 686 HA GLU 686 51.191 -13.462 6.648 12 HB2 GLU 686 HB2 GLU 686 53.161 -15.262 8.072 13 HB3 GLU 686 HB1 GLU 686 53.453 -13.553 7.744 14 HG2 GLU 686 HG2 GLU 686 51.464 -12.935 9.026 15 HG3 GLU 686 HG1 GLU 686 51.084 -14.634 9.297 16 H SER 687 HN SER 687 52.757 -16.492 5.720 17 HA SER 687 HA SER 687 54.733 -15.473 4.032 18 HB2 SER 687 HB2 SER 687 53.479 -17.933 3.052 19 HB3 SER 687 HB1 SER 687 55.132 -17.652 3.593 20 HG SER 687 HG SER 687 53.842 -17.470 5.758 21 HA PRO 688 HA PRO 688 52.842 -14.169 0.270 22 HB2 PRO 688 HB2 PRO 688 53.741 -16.467 -1.362 23 HB3 PRO 688 HB1 PRO 688 54.139 -14.746 -1.521 24 HG2 PRO 688 HG2 PRO 688 55.913 -16.544 -0.634 25 HG3 PRO 688 HG1 PRO 688 55.878 -14.874 -0.044 26 HD2 PRO 688 HD2 PRO 688 54.898 -17.367 1.294 27 HD3 PRO 688 HD1 PRO 688 55.682 -15.938 2.003 28 H LYS 689 HN LYS 689 50.915 -14.318 -0.852 29 HA LYS 689 HA LYS 689 49.122 -16.451 -0.093 30 HB2 LYS 689 HB2 LYS 689 48.719 -14.155 -2.031 31 HB3 LYS 689 HB1 LYS 689 47.452 -15.188 -1.382 32 HG2 LYS 689 HG2 LYS 689 49.240 -13.412 0.309 33 HG3 LYS 689 HG1 LYS 689 47.628 -12.964 -0.231 34 HD2 LYS 689 HD2 LYS 689 46.690 -14.911 0.993 35 HD3 LYS 689 HD1 LYS 689 48.304 -15.315 1.569 36 HE2 LYS 689 HE2 LYS 689 48.490 -13.139 2.676 37 HE3 LYS 689 HE1 LYS 689 46.883 -12.700 2.097 38 HZ1 LYS 689 HZ1 LYS 689 47.290 -13.795 4.457 39 HZ2 LYS 689 HZ2 LYS 689 47.132 -15.219 3.543 40 HZ3 LYS 689 HZ3 LYS 689 45.876 -14.074 3.561 41 H GLY 690 HN GLY 690 48.289 -18.055 -1.354 42 HA2 GLY 690 HA2 GLY 690 49.654 -18.497 -3.940 43 HA3 GLY 690 HA1 GLY 690 49.029 -19.772 -2.902 44 HA PRO 691 HA PRO 691 44.988 -19.687 -4.648 45 HB2 PRO 691 HB2 PRO 691 43.646 -18.193 -2.475 46 HB3 PRO 691 HB1 PRO 691 43.383 -19.855 -3.028 47 HG2 PRO 691 HG2 PRO 691 44.581 -19.286 -0.695 48 HG3 PRO 691 HG1 PRO 691 45.003 -20.710 -1.663 49 HD2 PRO 691 HD2 PRO 691 46.492 -18.128 -1.357 50 HD3 PRO 691 HD1 PRO 691 47.123 -19.780 -1.550 51 H ASP 692 HN ASP 692 43.732 -18.491 -6.048 52 HA ASP 692 HA ASP 692 44.445 -15.665 -6.321 53 HB2 ASP 692 HB2 ASP 692 42.930 -17.572 -8.109 54 HB3 ASP 692 HB1 ASP 692 43.152 -15.860 -8.467 55 H ILE 693 HN ILE 693 41.915 -17.622 -5.122 56 HA ILE 693 HA ILE 693 39.702 -15.880 -5.518 57 HB ILE 693 HB ILE 693 40.192 -18.041 -3.454 58 HG12 ILE 693 HG12 ILE 693 38.416 -18.016 -5.913 59 HG13 ILE 693 HG11 ILE 693 40.065 -18.639 -5.918 60 HG21 ILE 693 HG21 ILE 693 37.855 -16.223 -4.001 61 HG22 ILE 693 HG22 ILE 693 38.510 -16.745 -2.449 62 HG23 ILE 693 HG23 ILE 693 37.560 -17.864 -3.428 63 HD11 ILE 693 HD11 ILE 693 37.856 -19.629 -4.095 64 HD12 ILE 693 HD12 ILE 693 39.492 -20.279 -4.202 65 HD13 ILE 693 HD13 ILE 693 38.389 -20.440 -5.568 66 H LEU 694 HN LEU 694 42.017 -16.348 -2.880 67 HA LEU 694 HA LEU 694 40.881 -14.486 -1.061 68 HB2 LEU 694 HB2 LEU 694 43.746 -15.422 -1.398 69 HB3 LEU 694 HB1 LEU 694 43.191 -14.421 -0.060 70 HG LEU 694 HG LEU 694 42.077 -17.159 -0.748 71 HD11 LEU 694 HD11 LEU 694 43.774 -16.446 1.644 72 HD12 LEU 694 HD12 LEU 694 44.490 -17.030 0.140 73 HD13 LEU 694 HD13 LEU 694 43.357 -18.046 1.033 74 HD21 LEU 694 HD21 LEU 694 40.349 -16.225 0.444 75 HD22 LEU 694 HD22 LEU 694 41.388 -15.051 1.252 76 HD23 LEU 694 HD23 LEU 694 41.355 -16.726 1.801 77 H VAL 695 HN VAL 695 43.145 -14.218 -3.749 78 HA VAL 695 HA VAL 695 43.904 -11.510 -3.260 79 HB VAL 695 HB VAL 695 43.881 -13.133 -5.809 80 HG11 VAL 695 HG11 VAL 695 44.556 -10.279 -5.272 81 HG12 VAL 695 HG12 VAL 695 43.912 -11.031 -6.731 82 HG13 VAL 695 HG13 VAL 695 45.628 -11.176 -6.349 83 HG21 VAL 695 HG21 VAL 695 46.409 -12.217 -4.570 84 HG22 VAL 695 HG22 VAL 695 45.990 -13.794 -5.240 85 HG23 VAL 695 HG23 VAL 695 45.488 -13.371 -3.605 86 H VAL 696 HN VAL 696 41.438 -13.042 -5.218 87 HA VAL 696 HA VAL 696 40.327 -10.695 -6.326 88 HB VAL 696 HB VAL 696 39.130 -13.416 -5.756 89 HG11 VAL 696 HG11 VAL 696 37.978 -10.907 -6.844 90 HG12 VAL 696 HG12 VAL 696 37.177 -12.257 -6.041 91 HG13 VAL 696 HG13 VAL 696 37.610 -12.376 -7.747 92 HG21 VAL 696 HG21 VAL 696 40.018 -14.058 -7.742 93 HG22 VAL 696 HG22 VAL 696 41.063 -12.647 -7.582 94 HG23 VAL 696 HG23 VAL 696 39.576 -12.540 -8.525 95 H LEU 697 HN LEU 697 39.635 -12.574 -3.375 96 HA LEU 697 HA LEU 697 37.355 -11.129 -2.589 97 HB2 LEU 697 HB2 LEU 697 37.961 -13.290 -1.614 98 HB3 LEU 697 HB1 LEU 697 39.399 -12.575 -0.890 99 HG LEU 697 HG LEU 697 38.009 -11.105 0.501 100 HD11 LEU 697 HD11 LEU 697 35.458 -11.804 0.463 101 HD12 LEU 697 HD12 LEU 697 35.825 -12.257 -1.201 102 HD13 LEU 697 HD13 LEU 697 36.063 -10.593 -0.667 103 HD21 LEU 697 HD21 LEU 697 36.827 -12.898 1.832 104 HD22 LEU 697 HD22 LEU 697 38.513 -13.261 1.461 105 HD23 LEU 697 HD23 LEU 697 37.221 -14.029 0.537 106 H LEU 698 HN LEU 698 40.787 -10.566 -1.756 107 HA LEU 698 HA LEU 698 40.277 -8.419 0.033 108 HB2 LEU 698 HB2 LEU 698 42.692 -9.427 -1.406 109 HB3 LEU 698 HB1 LEU 698 42.752 -7.798 -0.751 110 HG LEU 698 HG LEU 698 43.639 -9.496 0.832 111 HD11 LEU 698 HD11 LEU 698 42.925 -8.235 2.548 112 HD12 LEU 698 HD12 LEU 698 41.245 -8.723 2.321 113 HD13 LEU 698 HD13 LEU 698 41.913 -7.395 1.374 114 HD21 LEU 698 HD21 LEU 698 41.935 -10.985 1.984 115 HD22 LEU 698 HD22 LEU 698 42.343 -11.444 0.342 116 HD23 LEU 698 HD23 LEU 698 40.823 -10.622 0.671 117 H SER 699 HN SER 699 40.979 -8.602 -3.417 118 HA SER 699 HA SER 699 41.060 -5.834 -3.927 119 HB2 SER 699 HB2 SER 699 40.610 -6.493 -6.272 120 HB3 SER 699 HB1 SER 699 41.874 -7.478 -5.542 121 HG SER 699 HG SER 699 40.096 -8.978 -5.021 122 H VAL 700 HN VAL 700 38.438 -8.158 -3.653 123 HA VAL 700 HA VAL 700 36.372 -6.472 -4.681 124 HB VAL 700 HB VAL 700 36.306 -8.873 -2.840 125 HG11 VAL 700 HG11 VAL 700 34.267 -7.950 -2.292 126 HG12 VAL 700 HG12 VAL 700 33.812 -8.790 -3.775 127 HG13 VAL 700 HG13 VAL 700 34.141 -7.057 -3.809 128 HG21 VAL 700 HG21 VAL 700 36.764 -8.656 -5.583 129 HG22 VAL 700 HG22 VAL 700 35.051 -9.061 -5.470 130 HG23 VAL 700 HG23 VAL 700 36.255 -10.112 -4.728 131 H MET 701 HN MET 701 37.568 -7.227 -1.430 132 HA MET 701 HA MET 701 35.755 -5.589 -0.011 133 HB2 MET 701 HB2 MET 701 38.538 -6.578 0.661 134 HB3 MET 701 HB1 MET 701 37.574 -5.610 1.777 135 HG2 MET 701 HG2 MET 701 35.775 -7.286 1.724 136 HG3 MET 701 HG1 MET 701 36.691 -8.243 0.558 137 HE1 MET 701 HE1 MET 701 36.146 -9.941 3.783 138 HE2 MET 701 HE2 MET 701 37.270 -10.752 2.696 139 HE3 MET 701 HE3 MET 701 35.900 -9.863 2.034 140 H GLY 702 HN GLY 702 38.896 -4.970 -1.524 141 HA2 GLY 702 HA2 GLY 702 39.306 -2.362 -0.491 142 HA3 GLY 702 HA1 GLY 702 40.001 -2.984 -1.986 143 H ALA 703 HN ALA 703 37.632 -3.529 -3.381 144 HA ALA 703 HA ALA 703 37.058 -1.020 -4.525 145 HB1 ALA 703 HB1 ALA 703 36.281 -3.794 -4.937 146 HB2 ALA 703 HB2 ALA 703 36.445 -2.490 -6.112 147 HB3 ALA 703 HB3 ALA 703 34.937 -2.688 -5.219 148 H ILE 704 HN ILE 704 35.374 -2.954 -2.083 149 HA ILE 704 HA ILE 704 32.977 -1.470 -2.039 150 HB ILE 704 HB ILE 704 34.362 -3.087 0.108 151 HG12 ILE 704 HG12 ILE 704 31.905 -3.708 -1.557 152 HG13 ILE 704 HG11 ILE 704 33.532 -4.212 -2.018 153 HG21 ILE 704 HG21 ILE 704 32.945 -1.925 1.477 154 HG22 ILE 704 HG22 ILE 704 31.744 -3.040 0.827 155 HG23 ILE 704 HG23 ILE 704 31.906 -1.421 0.145 156 HD11 ILE 704 HD11 ILE 704 31.785 -5.590 -0.317 157 HD12 ILE 704 HD12 ILE 704 32.976 -4.864 0.763 158 HD13 ILE 704 HD13 ILE 704 33.501 -5.921 -0.546 159 H LEU 705 HN LEU 705 36.004 -1.079 -0.155 160 HA LEU 705 HA LEU 705 35.043 1.039 1.451 161 HB2 LEU 705 HB2 LEU 705 37.784 0.114 0.669 162 HB3 LEU 705 HB1 LEU 705 37.595 1.661 1.491 163 HG LEU 705 HG LEU 705 36.306 0.471 3.300 164 HD11 LEU 705 HD11 LEU 705 36.493 -1.977 3.427 165 HD12 LEU 705 HD12 LEU 705 37.300 -1.999 1.863 166 HD13 LEU 705 HD13 LEU 705 35.613 -1.498 1.977 167 HD21 LEU 705 HD21 LEU 705 39.157 0.224 2.673 168 HD22 LEU 705 HD22 LEU 705 38.586 -1.024 3.780 169 HD23 LEU 705 HD23 LEU 705 38.375 0.678 4.187 170 H LEU 706 HN LEU 706 36.686 1.063 -1.706 171 HA LEU 706 HA LEU 706 36.976 3.851 -1.911 172 HB2 LEU 706 HB2 LEU 706 38.135 2.287 -3.407 173 HB3 LEU 706 HB1 LEU 706 36.592 1.789 -4.096 174 HG LEU 706 HG LEU 706 36.211 4.060 -4.958 175 HD11 LEU 706 HD11 LEU 706 38.394 5.556 -4.809 176 HD12 LEU 706 HD12 LEU 706 38.680 4.614 -3.346 177 HD13 LEU 706 HD13 LEU 706 37.210 5.576 -3.500 178 HD21 LEU 706 HD21 LEU 706 37.464 2.495 -6.370 179 HD22 LEU 706 HD22 LEU 706 38.972 2.980 -5.598 180 HD23 LEU 706 HD23 LEU 706 38.080 4.132 -6.590 181 H ILE 707 HN ILE 707 34.330 1.702 -2.858 182 HA ILE 707 HA ILE 707 32.744 3.657 -4.136 183 HB ILE 707 HB ILE 707 32.007 1.055 -2.812 184 HG12 ILE 707 HG12 ILE 707 32.146 1.800 -5.745 185 HG13 ILE 707 HG11 ILE 707 33.503 1.090 -4.874 186 HG21 ILE 707 HG21 ILE 707 29.965 1.491 -4.483 187 HG22 ILE 707 HG22 ILE 707 30.363 3.173 -4.135 188 HG23 ILE 707 HG23 ILE 707 29.936 2.079 -2.821 189 HD11 ILE 707 HD11 ILE 707 32.075 -0.846 -4.260 190 HD12 ILE 707 HD12 ILE 707 32.221 -0.670 -6.009 191 HD13 ILE 707 HD13 ILE 707 30.751 -0.145 -5.189 192 H GLY 708 HN GLY 708 32.914 2.592 -0.748 193 HA2 GLY 708 HA2 GLY 708 30.649 4.144 0.093 194 HA3 GLY 708 HA1 GLY 708 31.825 3.378 1.157 195 H LEU 709 HN LEU 709 34.158 4.583 0.249 196 HA LEU 709 HA LEU 709 34.099 7.072 1.595 197 HB2 LEU 709 HB2 LEU 709 36.175 5.447 0.211 198 HB3 LEU 709 HB1 LEU 709 36.502 7.158 0.469 199 HG LEU 709 HG LEU 709 36.037 6.880 2.886 200 HD11 LEU 709 HD11 LEU 709 35.722 4.681 3.862 201 HD12 LEU 709 HD12 LEU 709 35.870 3.913 2.286 202 HD13 LEU 709 HD13 LEU 709 34.473 4.924 2.647 203 HD21 LEU 709 HD21 LEU 709 38.335 6.637 2.074 204 HD22 LEU 709 HD22 LEU 709 38.055 4.928 1.742 205 HD23 LEU 709 HD23 LEU 709 38.048 5.515 3.405 206 H ALA 710 HN ALA 710 34.112 6.153 -1.833 207 HA ALA 710 HA ALA 710 34.867 8.545 -2.960 208 HB1 ALA 710 HB1 ALA 710 34.477 7.287 -4.751 209 HB2 ALA 710 HB2 ALA 710 32.790 7.772 -4.632 210 HB3 ALA 710 HB3 ALA 710 33.333 6.265 -3.886 211 HA PRO 711 HA PRO 711 30.320 10.332 -2.839 212 HB2 PRO 711 HB2 PRO 711 29.354 8.920 -0.406 213 HB3 PRO 711 HB1 PRO 711 28.471 9.376 -1.872 214 HG2 PRO 711 HG2 PRO 711 29.206 6.850 -1.342 215 HG3 PRO 711 HG1 PRO 711 29.080 7.493 -2.988 216 HD2 PRO 711 HD2 PRO 711 31.510 6.835 -1.423 217 HD3 PRO 711 HD1 PRO 711 31.263 6.903 -3.169 218 H LEU 712 HN LEU 712 31.857 9.249 0.209 219 HA LEU 712 HA LEU 712 31.259 11.593 1.699 220 HB2 LEU 712 HB2 LEU 712 33.403 9.483 2.017 221 HB3 LEU 712 HB1 LEU 712 33.151 10.790 3.172 222 HG LEU 712 HG LEU 712 30.985 8.846 2.321 223 HD11 LEU 712 HD11 LEU 712 32.299 7.399 3.523 224 HD12 LEU 712 HD12 LEU 712 31.460 8.167 4.871 225 HD13 LEU 712 HD13 LEU 712 33.084 8.693 4.429 226 HD21 LEU 712 HD21 LEU 712 31.144 11.167 4.199 227 HD22 LEU 712 HD22 LEU 712 30.208 9.770 4.723 228 HD23 LEU 712 HD23 LEU 712 29.790 10.596 3.225 229 H LEU 713 HN LEU 713 34.090 10.556 -0.201 230 HA LEU 713 HA LEU 713 35.613 12.896 0.308 231 HB2 LEU 713 HB2 LEU 713 35.735 10.685 -1.699 232 HB3 LEU 713 HB1 LEU 713 36.651 12.151 -2.019 233 HG LEU 713 HG LEU 713 37.849 10.241 -0.759 234 HD11 LEU 713 HD11 LEU 713 39.194 12.047 -0.611 235 HD12 LEU 713 HD12 LEU 713 38.565 12.204 1.029 236 HD13 LEU 713 HD13 LEU 713 37.850 13.140 -0.281 237 HD21 LEU 713 HD21 LEU 713 37.412 9.853 1.490 238 HD22 LEU 713 HD22 LEU 713 35.783 10.104 0.885 239 HD23 LEU 713 HD23 LEU 713 36.619 11.406 1.722 240 H ILE 714 HN ILE 714 33.352 11.984 -2.266 241 HA ILE 714 HA ILE 714 33.684 14.341 -3.804 242 HB ILE 714 HB ILE 714 31.351 12.430 -3.546 243 HG12 ILE 714 HG12 ILE 714 33.358 12.791 -5.788 244 HG13 ILE 714 HG11 ILE 714 33.572 11.620 -4.487 245 HG21 ILE 714 HG21 ILE 714 31.667 14.987 -4.996 246 HG22 ILE 714 HG22 ILE 714 30.197 14.132 -4.528 247 HG23 ILE 714 HG23 ILE 714 31.077 13.646 -5.976 248 HD11 ILE 714 HD11 ILE 714 32.068 10.194 -5.391 249 HD12 ILE 714 HD12 ILE 714 32.181 11.177 -6.851 250 HD13 ILE 714 HD13 ILE 714 30.904 11.487 -5.675 251 H TRP 715 HN TRP 715 31.410 13.436 -1.218 252 HA TRP 715 HA TRP 715 29.975 15.875 -1.205 253 HB2 TRP 715 HB2 TRP 715 29.151 13.772 -0.189 254 HB3 TRP 715 HB1 TRP 715 30.430 13.863 1.018 255 HD1 TRP 715 HD1 TRP 715 27.340 15.828 -0.174 256 HE1 TRP 715 HE1 TRP 715 26.409 17.161 1.826 257 HE3 TRP 715 HE3 TRP 715 30.917 14.787 3.318 258 HZ2 TRP 715 HZ2 TRP 715 27.089 17.707 4.551 259 HZ3 TRP 715 HZ3 TRP 715 30.748 15.722 5.607 260 HH2 TRP 715 HH2 TRP 715 28.840 17.179 6.228 261 H ALA 716 HN ALA 716 32.705 14.641 0.709 262 HA ALA 716 HA ALA 716 33.040 16.890 2.353 263 HB1 ALA 716 HB1 ALA 716 35.272 16.022 2.794 264 HB2 ALA 716 HB2 ALA 716 35.188 14.998 1.362 265 HB3 ALA 716 HB3 ALA 716 34.126 14.684 2.735 266 H LEU 717 HN LEU 717 34.386 16.118 -0.846 267 HA LEU 717 HA LEU 717 36.106 18.323 -1.031 268 HB2 LEU 717 HB2 LEU 717 34.792 16.533 -3.048 269 HB3 LEU 717 HB1 LEU 717 35.740 17.923 -3.569 270 HG LEU 717 HG LEU 717 36.798 15.839 -1.637 271 HD11 LEU 717 HD11 LEU 717 38.109 15.103 -3.741 272 HD12 LEU 717 HD12 LEU 717 36.851 15.943 -4.651 273 HD13 LEU 717 HD13 LEU 717 36.429 14.586 -3.606 274 HD21 LEU 717 HD21 LEU 717 38.822 17.056 -3.206 275 HD22 LEU 717 HD22 LEU 717 38.530 17.271 -1.482 276 HD23 LEU 717 HD23 LEU 717 37.781 18.363 -2.645 277 H LEU 718 HN LEU 718 32.714 17.848 -2.029 278 HA LEU 718 HA LEU 718 32.421 20.437 -3.158 279 HB2 LEU 718 HB2 LEU 718 30.415 18.492 -2.005 280 HB3 LEU 718 HB1 LEU 718 29.953 20.006 -2.779 281 HG LEU 718 HG LEU 718 31.667 17.882 -4.104 282 HD11 LEU 718 HD11 LEU 718 29.639 16.773 -3.993 283 HD12 LEU 718 HD12 LEU 718 29.406 17.698 -5.476 284 HD13 LEU 718 HD13 LEU 718 28.704 18.267 -3.963 285 HD21 LEU 718 HD21 LEU 718 30.586 20.550 -4.909 286 HD22 LEU 718 HD22 LEU 718 30.570 19.276 -6.124 287 HD23 LEU 718 HD23 LEU 718 32.090 19.756 -5.373 288 H ILE 719 HN ILE 719 31.757 19.117 0.073 289 HA ILE 719 HA ILE 719 30.780 21.541 1.171 290 HB ILE 719 HB ILE 719 31.953 19.076 2.456 291 HG12 ILE 719 HG12 ILE 719 29.792 18.760 1.304 292 HG13 ILE 719 HG11 ILE 719 29.617 18.600 3.044 293 HG21 ILE 719 HG21 ILE 719 30.742 20.095 4.524 294 HG22 ILE 719 HG22 ILE 719 30.904 21.622 3.659 295 HG23 ILE 719 HG23 ILE 719 32.342 20.698 4.092 296 HD11 ILE 719 HD11 ILE 719 27.848 20.010 2.703 297 HD12 ILE 719 HD12 ILE 719 28.520 20.655 1.208 298 HD13 ILE 719 HD13 ILE 719 29.088 21.259 2.760 299 H THR 720 HN THR 720 33.984 19.969 1.163 300 HA THR 720 HA THR 720 35.193 22.049 2.725 301 HB THR 720 HB THR 720 37.339 21.131 1.931 302 HG1 THR 720 HG1 THR 720 35.598 19.838 0.149 303 HG21 THR 720 HG21 THR 720 35.181 19.558 3.136 304 HG22 THR 720 HG22 THR 720 36.862 19.729 3.639 305 HG23 THR 720 HG23 THR 720 36.430 18.561 2.390 306 H ILE 721 HN ILE 721 34.741 21.453 -0.744 307 HA ILE 721 HA ILE 721 36.274 23.714 -1.601 308 HB ILE 721 HB ILE 721 34.054 22.175 -2.945 309 HG12 ILE 721 HG12 ILE 721 36.555 21.355 -2.451 310 HG13 ILE 721 HG11 ILE 721 35.753 20.973 -3.975 311 HG21 ILE 721 HG21 ILE 721 34.962 23.410 -5.022 312 HG22 ILE 721 HG22 ILE 721 35.636 24.569 -3.875 313 HG23 ILE 721 HG23 ILE 721 33.894 24.309 -3.945 314 HD11 ILE 721 HD11 ILE 721 37.405 23.482 -3.632 315 HD12 ILE 721 HD12 ILE 721 36.922 22.687 -5.132 316 HD13 ILE 721 HD13 ILE 721 38.140 21.948 -4.094 317 H HIS 722 HN HIS 722 32.853 23.273 -0.868 318 HA HIS 722 HA HIS 722 31.945 25.825 -1.610 319 HB2 HIS 722 HB2 HIS 722 30.959 23.634 0.137 320 HB3 HIS 722 HB1 HIS 722 30.255 25.230 0.392 321 HD1 HIS 722 HD1 HIS 722 30.671 22.574 -2.263 322 HD2 HIS 722 HD2 HIS 722 28.558 26.120 -1.676 323 HE1 HIS 722 HE1 HIS 722 29.012 22.744 -4.168 324 H ASP 723 HN ASP 723 33.347 24.633 1.416 325 HA ASP 723 HA ASP 723 32.947 27.097 2.848 326 HB2 ASP 723 HB2 ASP 723 34.657 24.662 3.374 327 HB3 ASP 723 HB1 ASP 723 34.587 26.044 4.466 328 H ARG 724 HN ARG 724 35.238 25.944 0.563 329 HA ARG 724 HA ARG 724 37.186 28.024 1.320 330 HB2 ARG 724 HB2 ARG 724 37.404 25.620 -0.501 331 HB3 ARG 724 HB1 ARG 724 38.666 26.842 -0.339 332 HG2 ARG 724 HG2 ARG 724 38.821 26.389 2.070 333 HG3 ARG 724 HG1 ARG 724 37.530 25.195 1.941 334 HD2 ARG 724 HD2 ARG 724 38.912 23.868 0.387 335 HD3 ARG 724 HD1 ARG 724 40.204 25.055 0.520 336 HE ARG 724 HE ARG 724 39.408 23.110 2.555 337 HH11 ARG 724 HH21 ARG 724 41.246 25.917 1.677 338 HH12 ARG 724 HH22 ARG 724 42.379 25.744 2.974 339 HH21 ARG 724 HH11 ARG 724 40.891 22.887 4.254 340 HH22 ARG 724 HH12 ARG 724 42.178 24.032 4.432 341 H LYS 725 HN LYS 725 37.602 29.740 0.029 342 HA LYS 725 HA LYS 725 35.710 30.536 -1.910 343 HB2 LYS 725 HB2 LYS 725 38.489 31.553 -1.287 344 HB3 LYS 725 HB1 LYS 725 37.392 32.339 -2.424 345 HG2 LYS 725 HG2 LYS 725 35.709 32.587 -0.636 346 HG3 LYS 725 HG1 LYS 725 36.804 31.802 0.502 347 HD2 LYS 725 HD2 LYS 725 38.444 33.593 0.210 348 HD3 LYS 725 HD1 LYS 725 37.420 34.361 -1.004 349 HE2 LYS 725 HE2 LYS 725 37.115 35.473 1.157 350 HE3 LYS 725 HE1 LYS 725 35.635 34.627 0.706 351 HZ1 LYS 725 HZ1 LYS 725 37.086 34.318 3.030 352 HZ2 LYS 725 HZ2 LYS 725 37.375 32.905 2.131 353 HZ3 LYS 725 HZ3 LYS 725 35.784 33.368 2.505 354 H GLU 726 HN GLU 726 38.962 29.152 -2.195 355 HA GLU 726 HA GLU 726 40.083 28.228 -3.975 356 HB2 GLU 726 HB2 GLU 726 38.114 26.713 -3.922 357 HB3 GLU 726 HB1 GLU 726 37.286 27.787 -5.050 358 HG2 GLU 726 HG2 GLU 726 39.054 27.427 -6.720 359 HG3 GLU 726 HG1 GLU 726 39.925 26.394 -5.589 360 H PHE 727 HN PHE 727 40.808 30.463 -4.416 361 HA PHE 727 HA PHE 727 39.633 32.266 -6.151 362 HB2 PHE 727 HB2 PHE 727 42.558 31.582 -5.787 363 HB3 PHE 727 HB1 PHE 727 41.980 32.980 -6.696 364 HD1 PHE 727 HD2 PHE 727 40.730 34.796 -5.556 365 HD2 PHE 727 HD1 PHE 727 42.449 31.518 -3.377 366 HE1 PHE 727 HE2 PHE 727 40.484 36.072 -3.443 367 HE2 PHE 727 HE1 PHE 727 42.204 32.793 -1.264 368 HZ PHE 727 HZ PHE 727 41.221 35.069 -1.297 Start of MODEL 8 1 H2 PRO 685 HT1 PRO 685 57.135 -16.895 9.140 2 H3 PRO 685 HT2 PRO 685 56.920 -15.614 10.239 3 HA PRO 685 HA PRO 685 57.442 -14.181 8.659 4 HB2 PRO 685 HB2 PRO 685 60.036 -15.291 7.881 5 HB3 PRO 685 HB1 PRO 685 59.673 -13.766 8.714 6 HG2 PRO 685 HG2 PRO 685 60.837 -15.901 9.924 7 HG3 PRO 685 HG1 PRO 685 59.862 -14.692 10.773 8 HD2 PRO 685 HD2 PRO 685 59.128 -17.481 9.977 9 HD3 PRO 685 HD1 PRO 685 58.601 -16.534 11.383 10 H GLU 686 HN GLU 686 56.563 -17.118 7.973 11 HA GLU 686 HA GLU 686 57.106 -16.950 5.068 12 HB2 GLU 686 HB2 GLU 686 56.523 -19.341 6.824 13 HB3 GLU 686 HB1 GLU 686 56.564 -19.403 5.061 14 HG2 GLU 686 HG2 GLU 686 58.886 -18.637 5.054 15 HG3 GLU 686 HG1 GLU 686 58.858 -18.469 6.809 16 H SER 687 HN SER 687 55.429 -16.511 3.795 17 HA SER 687 HA SER 687 52.718 -17.252 4.665 18 HB2 SER 687 HB2 SER 687 53.584 -14.493 3.784 19 HB3 SER 687 HB1 SER 687 51.903 -15.009 3.884 20 HG SER 687 HG SER 687 53.185 -13.969 5.797 21 HA PRO 688 HA PRO 688 53.746 -18.354 0.245 22 HB2 PRO 688 HB2 PRO 688 52.179 -20.752 0.979 23 HB3 PRO 688 HB1 PRO 688 53.777 -20.639 0.221 24 HG2 PRO 688 HG2 PRO 688 53.445 -21.435 2.761 25 HG3 PRO 688 HG1 PRO 688 54.869 -20.527 2.224 26 HD2 PRO 688 HD2 PRO 688 52.500 -19.565 3.783 27 HD3 PRO 688 HD1 PRO 688 54.206 -19.075 3.901 28 H LYS 689 HN LYS 689 52.369 -18.168 -1.501 29 HA LYS 689 HA LYS 689 49.474 -17.933 -0.932 30 HB2 LYS 689 HB2 LYS 689 51.190 -16.152 -2.679 31 HB3 LYS 689 HB1 LYS 689 49.426 -16.114 -2.653 32 HG2 LYS 689 HG2 LYS 689 49.458 -15.584 -0.251 33 HG3 LYS 689 HG1 LYS 689 51.220 -15.649 -0.252 34 HD2 LYS 689 HD2 LYS 689 51.265 -13.809 -1.923 35 HD3 LYS 689 HD1 LYS 689 49.505 -13.715 -1.837 36 HE2 LYS 689 HE2 LYS 689 51.342 -13.371 0.549 37 HE3 LYS 689 HE1 LYS 689 50.662 -12.034 -0.377 38 HZ1 LYS 689 HZ1 LYS 689 49.361 -13.858 1.480 39 HZ2 LYS 689 HZ2 LYS 689 48.465 -13.417 0.107 40 HZ3 LYS 689 HZ3 LYS 689 49.045 -12.222 1.165 41 H GLY 690 HN GLY 690 48.085 -18.687 -2.525 42 HA2 GLY 690 HA2 GLY 690 49.197 -19.714 -5.021 43 HA3 GLY 690 HA1 GLY 690 48.517 -20.912 -3.928 44 HA PRO 691 HA PRO 691 44.361 -20.090 -5.130 45 HB2 PRO 691 HB2 PRO 691 43.551 -18.666 -2.665 46 HB3 PRO 691 HB1 PRO 691 42.949 -20.193 -3.334 47 HG2 PRO 691 HG2 PRO 691 44.491 -20.100 -1.146 48 HG3 PRO 691 HG1 PRO 691 44.568 -21.437 -2.305 49 HD2 PRO 691 HD2 PRO 691 46.469 -19.154 -1.933 50 HD3 PRO 691 HD1 PRO 691 46.804 -20.843 -2.376 51 H ASP 692 HN ASP 692 43.163 -18.585 -6.250 52 HA ASP 692 HA ASP 692 44.178 -15.822 -6.211 53 HB2 ASP 692 HB2 ASP 692 42.524 -17.350 -8.231 54 HB3 ASP 692 HB1 ASP 692 42.892 -15.631 -8.368 55 H ILE 693 HN ILE 693 41.746 -17.601 -4.872 56 HA ILE 693 HA ILE 693 39.490 -15.889 -5.183 57 HB ILE 693 HB ILE 693 39.404 -18.315 -4.490 58 HG12 ILE 693 HG12 ILE 693 38.106 -16.451 -2.484 59 HG13 ILE 693 HG11 ILE 693 37.535 -16.616 -4.145 60 HG21 ILE 693 HG21 ILE 693 39.969 -18.953 -2.277 61 HG22 ILE 693 HG22 ILE 693 40.085 -17.279 -1.737 62 HG23 ILE 693 HG23 ILE 693 41.320 -17.948 -2.803 63 HD11 ILE 693 HD11 ILE 693 37.199 -19.032 -3.799 64 HD12 ILE 693 HD12 ILE 693 36.275 -18.099 -2.622 65 HD13 ILE 693 HD13 ILE 693 37.780 -18.880 -2.140 66 H LEU 694 HN LEU 694 42.031 -16.255 -2.783 67 HA LEU 694 HA LEU 694 41.059 -14.374 -0.915 68 HB2 LEU 694 HB2 LEU 694 43.854 -15.354 -1.529 69 HB3 LEU 694 HB1 LEU 694 43.480 -14.286 -0.180 70 HG LEU 694 HG LEU 694 42.159 -16.980 -0.628 71 HD11 LEU 694 HD11 LEU 694 44.312 -17.644 -0.099 72 HD12 LEU 694 HD12 LEU 694 43.642 -17.444 1.520 73 HD13 LEU 694 HD13 LEU 694 44.653 -16.179 0.821 74 HD21 LEU 694 HD21 LEU 694 41.876 -16.480 1.998 75 HD22 LEU 694 HD22 LEU 694 40.702 -15.919 0.809 76 HD23 LEU 694 HD23 LEU 694 41.932 -14.815 1.422 77 H VAL 695 HN VAL 695 43.137 -14.138 -3.757 78 HA VAL 695 HA VAL 695 43.878 -11.417 -3.443 79 HB VAL 695 HB VAL 695 43.667 -13.175 -5.899 80 HG11 VAL 695 HG11 VAL 695 45.316 -11.306 -6.743 81 HG12 VAL 695 HG12 VAL 695 44.510 -10.315 -5.527 82 HG13 VAL 695 HG13 VAL 695 43.575 -11.037 -6.837 83 HG21 VAL 695 HG21 VAL 695 46.108 -13.281 -5.674 84 HG22 VAL 695 HG22 VAL 695 45.347 -13.818 -4.177 85 HG23 VAL 695 HG23 VAL 695 46.044 -12.201 -4.281 86 H VAL 696 HN VAL 696 41.284 -13.037 -5.187 87 HA VAL 696 HA VAL 696 40.100 -10.722 -6.293 88 HB VAL 696 HB VAL 696 38.954 -13.441 -5.614 89 HG11 VAL 696 HG11 VAL 696 37.288 -12.491 -7.491 90 HG12 VAL 696 HG12 VAL 696 37.726 -10.963 -6.729 91 HG13 VAL 696 HG13 VAL 696 36.991 -12.248 -5.769 92 HG21 VAL 696 HG21 VAL 696 40.801 -12.869 -7.481 93 HG22 VAL 696 HG22 VAL 696 39.356 -12.422 -8.390 94 HG23 VAL 696 HG23 VAL 696 39.530 -14.060 -7.759 95 H LEU 697 HN LEU 697 39.569 -12.539 -3.283 96 HA LEU 697 HA LEU 697 37.341 -11.066 -2.392 97 HB2 LEU 697 HB2 LEU 697 37.984 -13.217 -1.420 98 HB3 LEU 697 HB1 LEU 697 39.472 -12.511 -0.798 99 HG LEU 697 HG LEU 697 38.185 -11.001 0.649 100 HD11 LEU 697 HD11 LEU 697 35.897 -12.168 -0.902 101 HD12 LEU 697 HD12 LEU 697 36.184 -10.494 -0.428 102 HD13 LEU 697 HD13 LEU 697 35.628 -11.665 0.767 103 HD21 LEU 697 HD21 LEU 697 38.693 -13.478 1.242 104 HD22 LEU 697 HD22 LEU 697 36.967 -13.738 0.991 105 HD23 LEU 697 HD23 LEU 697 37.519 -12.614 2.235 106 H LEU 698 HN LEU 698 40.813 -10.544 -1.832 107 HA LEU 698 HA LEU 698 40.517 -8.388 -0.018 108 HB2 LEU 698 HB2 LEU 698 42.779 -9.174 -1.862 109 HB3 LEU 698 HB1 LEU 698 42.889 -7.833 -0.726 110 HG LEU 698 HG LEU 698 42.166 -10.666 0.077 111 HD11 LEU 698 HD11 LEU 698 44.529 -10.633 1.049 112 HD12 LEU 698 HD12 LEU 698 44.826 -9.234 0.016 113 HD13 LEU 698 HD13 LEU 698 44.414 -10.790 -0.703 114 HD21 LEU 698 HD21 LEU 698 42.527 -8.073 1.514 115 HD22 LEU 698 HD22 LEU 698 43.151 -9.520 2.300 116 HD23 LEU 698 HD23 LEU 698 41.445 -9.418 1.870 117 H SER 699 HN SER 699 40.905 -8.579 -3.519 118 HA SER 699 HA SER 699 40.959 -5.805 -4.022 119 HB2 SER 699 HB2 SER 699 40.361 -6.471 -6.332 120 HB3 SER 699 HB1 SER 699 41.677 -7.446 -5.682 121 HG SER 699 HG SER 699 39.940 -8.943 -5.025 122 H VAL 700 HN VAL 700 38.379 -8.132 -3.554 123 HA VAL 700 HA VAL 700 36.237 -6.491 -4.479 124 HB VAL 700 HB VAL 700 36.293 -8.820 -2.542 125 HG11 VAL 700 HG11 VAL 700 33.768 -8.809 -3.189 126 HG12 VAL 700 HG12 VAL 700 34.047 -7.115 -3.592 127 HG13 VAL 700 HG13 VAL 700 34.325 -7.687 -1.947 128 HG21 VAL 700 HG21 VAL 700 36.599 -8.701 -5.314 129 HG22 VAL 700 HG22 VAL 700 34.896 -9.101 -5.093 130 HG23 VAL 700 HG23 VAL 700 36.141 -10.129 -4.384 131 H MET 701 HN MET 701 37.688 -7.105 -1.319 132 HA MET 701 HA MET 701 35.978 -5.442 0.183 133 HB2 MET 701 HB2 MET 701 38.793 -6.441 0.623 134 HB3 MET 701 HB1 MET 701 37.978 -5.398 1.789 135 HG2 MET 701 HG2 MET 701 36.150 -7.012 2.002 136 HG3 MET 701 HG1 MET 701 36.885 -8.037 0.771 137 HE1 MET 701 HE1 MET 701 38.751 -6.088 3.894 138 HE2 MET 701 HE2 MET 701 38.173 -7.265 5.070 139 HE3 MET 701 HE3 MET 701 37.017 -6.387 4.073 140 H GLY 702 HN GLY 702 38.991 -4.859 -1.573 141 HA2 GLY 702 HA2 GLY 702 39.420 -2.202 -0.662 142 HA3 GLY 702 HA1 GLY 702 40.058 -2.892 -2.153 143 H ALA 703 HN ALA 703 37.650 -3.527 -3.437 144 HA ALA 703 HA ALA 703 36.998 -1.075 -4.658 145 HB1 ALA 703 HB1 ALA 703 36.139 -2.490 -6.169 146 HB2 ALA 703 HB2 ALA 703 34.875 -2.952 -5.031 147 HB3 ALA 703 HB3 ALA 703 36.405 -3.830 -5.053 148 H ILE 704 HN ILE 704 35.362 -2.976 -2.140 149 HA ILE 704 HA ILE 704 32.983 -1.466 -2.066 150 HB ILE 704 HB ILE 704 34.369 -3.101 0.066 151 HG12 ILE 704 HG12 ILE 704 31.875 -3.694 -1.548 152 HG13 ILE 704 HG11 ILE 704 33.484 -4.206 -2.057 153 HG21 ILE 704 HG21 ILE 704 31.768 -3.032 0.825 154 HG22 ILE 704 HG22 ILE 704 31.916 -1.422 0.123 155 HG23 ILE 704 HG23 ILE 704 32.977 -1.908 1.443 156 HD11 ILE 704 HD11 ILE 704 32.895 -4.852 0.747 157 HD12 ILE 704 HD12 ILE 704 33.554 -5.878 -0.527 158 HD13 ILE 704 HD13 ILE 704 31.810 -5.645 -0.395 159 H LEU 705 HN LEU 705 36.023 -1.139 -0.256 160 HA LEU 705 HA LEU 705 35.197 0.971 1.417 161 HB2 LEU 705 HB2 LEU 705 37.919 0.175 0.371 162 HB3 LEU 705 HB1 LEU 705 37.682 1.434 1.580 163 HG LEU 705 HG LEU 705 36.683 -1.416 1.865 164 HD11 LEU 705 HD11 LEU 705 38.604 -1.260 3.714 165 HD12 LEU 705 HD12 LEU 705 39.269 -0.100 2.563 166 HD13 LEU 705 HD13 LEU 705 38.954 -1.760 2.059 167 HD21 LEU 705 HD21 LEU 705 35.392 -0.316 3.407 168 HD22 LEU 705 HD22 LEU 705 36.480 1.067 3.499 169 HD23 LEU 705 HD23 LEU 705 36.859 -0.412 4.377 170 H LEU 706 HN LEU 706 36.717 0.995 -1.810 171 HA LEU 706 HA LEU 706 37.047 3.787 -1.984 172 HB2 LEU 706 HB2 LEU 706 38.182 2.226 -3.495 173 HB3 LEU 706 HB1 LEU 706 36.633 1.750 -4.187 174 HG LEU 706 HG LEU 706 36.275 4.047 -5.005 175 HD11 LEU 706 HD11 LEU 706 37.329 5.513 -3.540 176 HD12 LEU 706 HD12 LEU 706 38.494 5.488 -4.864 177 HD13 LEU 706 HD13 LEU 706 38.776 4.514 -3.420 178 HD21 LEU 706 HD21 LEU 706 37.443 2.518 -6.499 179 HD22 LEU 706 HD22 LEU 706 38.979 2.858 -5.702 180 HD23 LEU 706 HD23 LEU 706 38.176 4.116 -6.641 181 H ILE 707 HN ILE 707 34.366 1.689 -2.936 182 HA ILE 707 HA ILE 707 32.790 3.653 -4.171 183 HB ILE 707 HB ILE 707 32.023 1.072 -2.825 184 HG12 ILE 707 HG12 ILE 707 32.154 1.825 -5.760 185 HG13 ILE 707 HG11 ILE 707 33.501 1.079 -4.899 186 HG21 ILE 707 HG21 ILE 707 29.981 2.176 -2.808 187 HG22 ILE 707 HG22 ILE 707 29.967 1.534 -4.447 188 HG23 ILE 707 HG23 ILE 707 30.411 3.216 -4.166 189 HD11 ILE 707 HD11 ILE 707 32.016 -0.561 -6.113 190 HD12 ILE 707 HD12 ILE 707 30.722 -0.116 -4.999 191 HD13 ILE 707 HD13 ILE 707 32.191 -0.878 -4.386 192 H GLY 708 HN GLY 708 32.989 2.629 -0.776 193 HA2 GLY 708 HA2 GLY 708 30.801 4.265 0.079 194 HA3 GLY 708 HA1 GLY 708 31.974 3.475 1.133 195 H LEU 709 HN LEU 709 34.310 4.605 0.087 196 HA LEU 709 HA LEU 709 34.454 7.060 1.466 197 HB2 LEU 709 HB2 LEU 709 36.355 5.637 -0.393 198 HB3 LEU 709 HB1 LEU 709 36.762 7.142 0.424 199 HG LEU 709 HG LEU 709 35.831 4.635 1.859 200 HD11 LEU 709 HD11 LEU 709 37.914 3.983 1.010 201 HD12 LEU 709 HD12 LEU 709 38.342 4.667 2.578 202 HD13 LEU 709 HD13 LEU 709 38.574 5.615 1.111 203 HD21 LEU 709 HD21 LEU 709 36.644 7.383 2.696 204 HD22 LEU 709 HD22 LEU 709 37.194 6.042 3.698 205 HD23 LEU 709 HD23 LEU 709 35.472 6.284 3.419 206 H ALA 710 HN ALA 710 34.157 6.200 -1.959 207 HA ALA 710 HA ALA 710 34.865 8.627 -3.085 208 HB1 ALA 710 HB1 ALA 710 33.378 6.310 -3.976 209 HB2 ALA 710 HB2 ALA 710 34.447 7.383 -4.875 210 HB3 ALA 710 HB3 ALA 710 32.749 7.799 -4.692 211 HA PRO 711 HA PRO 711 30.284 10.330 -2.830 212 HB2 PRO 711 HB2 PRO 711 29.427 8.874 -0.378 213 HB3 PRO 711 HB1 PRO 711 28.482 9.332 -1.807 214 HG2 PRO 711 HG2 PRO 711 29.272 6.816 -1.348 215 HG3 PRO 711 HG1 PRO 711 29.110 7.485 -2.978 216 HD2 PRO 711 HD2 PRO 711 31.576 6.857 -1.456 217 HD3 PRO 711 HD1 PRO 711 31.298 6.920 -3.197 218 H LEU 712 HN LEU 712 31.907 9.239 0.163 219 HA LEU 712 HA LEU 712 31.355 11.577 1.680 220 HB2 LEU 712 HB2 LEU 712 33.502 9.459 1.920 221 HB3 LEU 712 HB1 LEU 712 33.296 10.761 3.088 222 HG LEU 712 HG LEU 712 31.096 8.823 2.309 223 HD11 LEU 712 HD11 LEU 712 32.865 7.580 3.423 224 HD12 LEU 712 HD12 LEU 712 31.521 7.796 4.545 225 HD13 LEU 712 HD13 LEU 712 32.964 8.798 4.695 226 HD21 LEU 712 HD21 LEU 712 31.250 11.228 3.998 227 HD22 LEU 712 HD22 LEU 712 30.575 9.830 4.832 228 HD23 LEU 712 HD23 LEU 712 29.840 10.405 3.337 229 H LEU 713 HN LEU 713 34.101 10.526 -0.326 230 HA LEU 713 HA LEU 713 35.691 12.827 0.132 231 HB2 LEU 713 HB2 LEU 713 35.632 10.825 -2.131 232 HB3 LEU 713 HB1 LEU 713 36.817 12.126 -2.031 233 HG LEU 713 HG LEU 713 36.356 10.101 0.180 234 HD11 LEU 713 HD11 LEU 713 38.518 9.106 -0.637 235 HD12 LEU 713 HD12 LEU 713 38.389 10.133 -2.065 236 HD13 LEU 713 HD13 LEU 713 37.170 8.899 -1.754 237 HD21 LEU 713 HD21 LEU 713 37.605 11.601 1.331 238 HD22 LEU 713 HD22 LEU 713 38.003 12.513 -0.123 239 HD23 LEU 713 HD23 LEU 713 38.952 11.094 0.314 240 H ILE 714 HN ILE 714 33.312 11.973 -2.356 241 HA ILE 714 HA ILE 714 33.600 14.340 -3.891 242 HB ILE 714 HB ILE 714 31.275 12.429 -3.565 243 HG12 ILE 714 HG12 ILE 714 33.198 12.805 -5.878 244 HG13 ILE 714 HG11 ILE 714 33.462 11.626 -4.592 245 HG21 ILE 714 HG21 ILE 714 30.295 14.456 -4.325 246 HG22 ILE 714 HG22 ILE 714 30.579 13.520 -5.792 247 HG23 ILE 714 HG23 ILE 714 31.675 14.830 -5.356 248 HD11 ILE 714 HD11 ILE 714 31.451 10.443 -5.144 249 HD12 ILE 714 HD12 ILE 714 32.294 10.726 -6.666 250 HD13 ILE 714 HD13 ILE 714 30.915 11.731 -6.223 251 H TRP 715 HN TRP 715 31.406 13.422 -1.231 252 HA TRP 715 HA TRP 715 29.981 15.866 -1.163 253 HB2 TRP 715 HB2 TRP 715 29.180 13.760 -0.133 254 HB3 TRP 715 HB1 TRP 715 30.497 13.839 1.033 255 HD1 TRP 715 HD1 TRP 715 27.365 15.801 -0.042 256 HE1 TRP 715 HE1 TRP 715 26.505 17.131 1.992 257 HE3 TRP 715 HE3 TRP 715 31.073 14.773 3.315 258 HZ2 TRP 715 HZ2 TRP 715 27.283 17.682 4.690 259 HZ3 TRP 715 HZ3 TRP 715 30.988 15.710 5.608 260 HH2 TRP 715 HH2 TRP 715 29.100 17.161 6.300 261 H ALA 716 HN ALA 716 32.754 14.602 0.655 262 HA ALA 716 HA ALA 716 33.167 16.858 2.282 263 HB1 ALA 716 HB1 ALA 716 35.412 15.962 2.644 264 HB2 ALA 716 HB2 ALA 716 35.233 14.898 1.248 265 HB3 ALA 716 HB3 ALA 716 34.230 14.654 2.678 266 H LEU 717 HN LEU 717 34.334 16.033 -0.952 267 HA LEU 717 HA LEU 717 36.139 18.146 -1.267 268 HB2 LEU 717 HB2 LEU 717 36.075 16.172 -2.748 269 HB3 LEU 717 HB1 LEU 717 34.501 16.681 -3.352 270 HG LEU 717 HG LEU 717 35.511 18.781 -4.198 271 HD11 LEU 717 HD11 LEU 717 38.156 18.570 -4.296 272 HD12 LEU 717 HD12 LEU 717 37.911 17.623 -2.829 273 HD13 LEU 717 HD13 LEU 717 37.364 19.297 -2.900 274 HD21 LEU 717 HD21 LEU 717 36.058 16.097 -5.125 275 HD22 LEU 717 HD22 LEU 717 37.379 17.176 -5.576 276 HD23 LEU 717 HD23 LEU 717 35.726 17.550 -6.070 277 H LEU 718 HN LEU 718 32.686 17.787 -2.092 278 HA LEU 718 HA LEU 718 32.396 20.386 -3.193 279 HB2 LEU 718 HB2 LEU 718 30.410 18.467 -1.974 280 HB3 LEU 718 HB1 LEU 718 29.940 19.994 -2.720 281 HG LEU 718 HG LEU 718 31.577 17.861 -4.125 282 HD11 LEU 718 HD11 LEU 718 28.615 18.451 -4.374 283 HD12 LEU 718 HD12 LEU 718 29.299 17.055 -3.540 284 HD13 LEU 718 HD13 LEU 718 29.518 17.238 -5.281 285 HD21 LEU 718 HD21 LEU 718 30.233 19.395 -6.004 286 HD22 LEU 718 HD22 LEU 718 31.928 19.582 -5.558 287 HD23 LEU 718 HD23 LEU 718 30.700 20.587 -4.792 288 H ILE 719 HN ILE 719 31.793 19.061 0.053 289 HA ILE 719 HA ILE 719 30.907 21.494 1.198 290 HB ILE 719 HB ILE 719 32.084 19.003 2.429 291 HG12 ILE 719 HG12 ILE 719 29.880 18.724 1.355 292 HG13 ILE 719 HG11 ILE 719 29.763 18.565 3.098 293 HG21 ILE 719 HG21 ILE 719 31.084 21.543 3.694 294 HG22 ILE 719 HG22 ILE 719 32.558 20.641 4.041 295 HG23 ILE 719 HG23 ILE 719 30.994 20.005 4.553 296 HD11 ILE 719 HD11 ILE 719 28.003 20.000 2.815 297 HD12 ILE 719 HD12 ILE 719 28.642 20.648 1.307 298 HD13 ILE 719 HD13 ILE 719 29.264 21.228 2.847 299 H THR 720 HN THR 720 34.072 19.874 1.056 300 HA THR 720 HA THR 720 35.390 21.888 2.601 301 HB THR 720 HB THR 720 37.478 20.978 1.622 302 HG1 THR 720 HG1 THR 720 35.743 20.170 -0.248 303 HG21 THR 720 HG21 THR 720 37.091 19.629 3.399 304 HG22 THR 720 HG22 THR 720 36.644 18.430 2.187 305 HG23 THR 720 HG23 THR 720 35.396 19.400 2.971 306 H ILE 721 HN ILE 721 34.652 21.445 -0.798 307 HA ILE 721 HA ILE 721 36.184 23.666 -1.753 308 HB ILE 721 HB ILE 721 33.897 22.097 -2.884 309 HG12 ILE 721 HG12 ILE 721 36.463 21.448 -2.801 310 HG13 ILE 721 HG11 ILE 721 35.518 21.136 -4.252 311 HG21 ILE 721 HG21 ILE 721 33.395 24.213 -3.774 312 HG22 ILE 721 HG22 ILE 721 34.423 23.492 -5.009 313 HG23 ILE 721 HG23 ILE 721 35.093 24.671 -3.883 314 HD11 ILE 721 HD11 ILE 721 36.441 22.979 -5.393 315 HD12 ILE 721 HD12 ILE 721 37.818 22.313 -4.518 316 HD13 ILE 721 HD13 ILE 721 36.994 23.746 -3.908 317 H HIS 722 HN HIS 722 32.890 23.298 -0.596 318 HA HIS 722 HA HIS 722 32.025 25.904 -1.260 319 HB2 HIS 722 HB2 HIS 722 30.954 23.808 0.594 320 HB3 HIS 722 HB1 HIS 722 30.274 25.437 0.603 321 HD1 HIS 722 HD1 HIS 722 30.503 22.345 -1.481 322 HD2 HIS 722 HD2 HIS 722 28.921 26.185 -1.809 323 HE1 HIS 722 HE1 HIS 722 28.999 22.327 -3.516 324 H ASP 723 HN ASP 723 33.606 24.543 1.520 325 HA ASP 723 HA ASP 723 33.555 25.786 3.686 326 HB2 ASP 723 HB2 ASP 723 36.004 25.949 1.941 327 HB3 ASP 723 HB1 ASP 723 36.009 26.479 3.621 328 H ARG 724 HN ARG 724 35.451 27.855 1.541 329 HA ARG 724 HA ARG 724 34.814 30.224 2.934 330 HB2 ARG 724 HB2 ARG 724 36.836 29.941 1.537 331 HB3 ARG 724 HB1 ARG 724 35.822 29.929 0.095 332 HG2 ARG 724 HG2 ARG 724 35.012 32.205 0.648 333 HG3 ARG 724 HG1 ARG 724 36.042 32.216 2.079 334 HD2 ARG 724 HD2 ARG 724 38.019 31.861 0.571 335 HD3 ARG 724 HD1 ARG 724 36.942 32.045 -0.809 336 HE ARG 724 HE ARG 724 36.781 34.252 1.041 337 HH11 ARG 724 HH21 ARG 724 38.506 32.839 -1.602 338 HH12 ARG 724 HH22 ARG 724 39.132 34.346 -2.181 339 HH21 ARG 724 HH11 ARG 724 37.598 36.238 0.285 340 HH22 ARG 724 HH12 ARG 724 38.619 36.270 -1.113 341 H LYS 725 HN LYS 725 33.517 28.854 -0.073 342 HA LYS 725 HA LYS 725 31.791 31.048 -0.645 343 HB2 LYS 725 HB2 LYS 725 32.549 29.338 -2.308 344 HB3 LYS 725 HB1 LYS 725 31.499 28.162 -1.515 345 HG2 LYS 725 HG2 LYS 725 29.540 29.547 -2.004 346 HG3 LYS 725 HG1 LYS 725 30.570 30.784 -2.729 347 HD2 LYS 725 HD2 LYS 725 31.335 29.150 -4.422 348 HD3 LYS 725 HD1 LYS 725 30.286 27.927 -3.708 349 HE2 LYS 725 HE2 LYS 725 28.314 29.308 -4.207 350 HE3 LYS 725 HE1 LYS 725 29.349 30.554 -4.897 351 HZ1 LYS 725 HZ1 LYS 725 29.578 29.414 -6.781 352 HZ2 LYS 725 HZ2 LYS 725 28.246 28.495 -6.264 353 HZ3 LYS 725 HZ3 LYS 725 29.825 27.938 -5.982 354 H GLU 726 HN GLU 726 29.789 31.516 0.101 355 HA GLU 726 HA GLU 726 28.818 30.251 2.441 356 HB2 GLU 726 HB2 GLU 726 27.459 32.173 0.535 357 HB3 GLU 726 HB1 GLU 726 26.826 31.708 2.114 358 HG2 GLU 726 HG2 GLU 726 29.531 32.996 1.662 359 HG3 GLU 726 HG1 GLU 726 28.089 33.862 2.178 360 H PHE 727 HN PHE 727 27.791 30.045 -0.958 361 HA PHE 727 HA PHE 727 26.818 27.397 -0.664 362 HB2 PHE 727 HB2 PHE 727 24.427 27.752 -0.888 363 HB3 PHE 727 HB1 PHE 727 24.995 28.579 0.561 364 HD1 PHE 727 HD1 PHE 727 25.155 31.024 0.644 365 HD2 PHE 727 HD2 PHE 727 23.717 29.001 -2.860 366 HE1 PHE 727 HE1 PHE 727 24.269 33.169 -0.228 367 HE2 PHE 727 HE2 PHE 727 22.831 31.146 -3.734 368 HZ PHE 727 HZ PHE 727 23.106 33.229 -2.418 Start of MODEL 9 1 H2 PRO 685 HT1 PRO 685 54.881 -22.023 -15.512 2 H3 PRO 685 HT2 PRO 685 53.989 -22.915 -14.372 3 HA PRO 685 HA PRO 685 55.205 -22.150 -12.709 4 HB2 PRO 685 HB2 PRO 685 57.902 -22.327 -13.482 5 HB3 PRO 685 HB1 PRO 685 56.985 -23.557 -12.589 6 HG2 PRO 685 HG2 PRO 685 57.680 -23.434 -15.453 7 HG3 PRO 685 HG1 PRO 685 57.392 -24.839 -14.416 8 HD2 PRO 685 HD2 PRO 685 55.583 -23.999 -16.285 9 HD3 PRO 685 HD1 PRO 685 55.100 -24.812 -14.781 10 H GLU 686 HN GLU 686 55.906 -21.048 -15.926 11 HA GLU 686 HA GLU 686 57.414 -18.729 -15.288 12 HB2 GLU 686 HB2 GLU 686 55.636 -19.354 -17.660 13 HB3 GLU 686 HB1 GLU 686 56.709 -17.959 -17.561 14 HG2 GLU 686 HG2 GLU 686 57.607 -20.850 -17.329 15 HG3 GLU 686 HG1 GLU 686 57.730 -19.875 -18.795 16 H SER 687 HN SER 687 53.950 -19.355 -15.605 17 HA SER 687 HA SER 687 53.208 -16.595 -15.238 18 HB2 SER 687 HB2 SER 687 51.023 -18.289 -14.626 19 HB3 SER 687 HB1 SER 687 51.309 -17.393 -16.115 20 HG SER 687 HG SER 687 51.192 -19.543 -16.646 21 HA PRO 688 HA PRO 688 53.090 -16.417 -10.847 22 HB2 PRO 688 HB2 PRO 688 50.888 -14.925 -10.336 23 HB3 PRO 688 HB1 PRO 688 52.325 -14.249 -11.133 24 HG2 PRO 688 HG2 PRO 688 49.784 -15.241 -12.360 25 HG3 PRO 688 HG1 PRO 688 50.676 -13.742 -12.687 26 HD2 PRO 688 HD2 PRO 688 50.918 -15.920 -14.290 27 HD3 PRO 688 HD1 PRO 688 52.283 -14.818 -13.992 28 H LYS 689 HN LYS 689 52.152 -17.298 -8.957 29 HA LYS 689 HA LYS 689 49.678 -18.846 -9.273 30 HB2 LYS 689 HB2 LYS 689 50.680 -20.853 -8.346 31 HB3 LYS 689 HB1 LYS 689 51.576 -20.370 -9.784 32 HG2 LYS 689 HG2 LYS 689 53.255 -19.248 -8.329 33 HG3 LYS 689 HG1 LYS 689 52.382 -19.823 -6.907 34 HD2 LYS 689 HD2 LYS 689 52.721 -22.154 -7.632 35 HD3 LYS 689 HD1 LYS 689 53.595 -21.584 -9.054 36 HE2 LYS 689 HE2 LYS 689 55.279 -20.521 -7.602 37 HE3 LYS 689 HE1 LYS 689 54.407 -21.083 -6.176 38 HZ1 LYS 689 HZ1 LYS 689 55.544 -22.841 -8.280 39 HZ2 LYS 689 HZ2 LYS 689 54.761 -23.351 -6.861 40 HZ3 LYS 689 HZ3 LYS 689 56.255 -22.546 -6.769 41 H GLY 690 HN GLY 690 48.609 -19.322 -7.316 42 HA2 GLY 690 HA2 GLY 690 49.455 -18.955 -4.728 43 HA3 GLY 690 HA1 GLY 690 48.971 -17.349 -5.266 44 HA PRO 691 HA PRO 691 45.304 -19.696 -3.436 45 HB2 PRO 691 HB2 PRO 691 44.828 -16.902 -2.519 46 HB3 PRO 691 HB1 PRO 691 44.657 -18.424 -1.626 47 HG2 PRO 691 HG2 PRO 691 46.707 -16.788 -1.187 48 HG3 PRO 691 HG1 PRO 691 46.903 -18.550 -1.148 49 HD2 PRO 691 HD2 PRO 691 47.749 -16.608 -3.261 50 HD3 PRO 691 HD1 PRO 691 48.521 -18.124 -2.744 51 H ASP 692 HN ASP 692 45.569 -16.516 -4.997 52 HA ASP 692 HA ASP 692 44.419 -15.530 -6.692 53 HB2 ASP 692 HB2 ASP 692 44.632 -17.740 -7.813 54 HB3 ASP 692 HB1 ASP 692 43.087 -18.213 -7.112 55 H ILE 693 HN ILE 693 42.307 -17.680 -4.791 56 HA ILE 693 HA ILE 693 39.938 -16.182 -5.158 57 HB ILE 693 HB ILE 693 40.773 -18.133 -3.003 58 HG12 ILE 693 HG12 ILE 693 38.811 -18.446 -5.292 59 HG13 ILE 693 HG11 ILE 693 40.509 -18.910 -5.413 60 HG21 ILE 693 HG21 ILE 693 39.039 -17.171 -1.867 61 HG22 ILE 693 HG22 ILE 693 38.051 -18.124 -2.976 62 HG23 ILE 693 HG23 ILE 693 38.371 -16.424 -3.319 63 HD11 ILE 693 HD11 ILE 693 38.599 -19.955 -3.303 64 HD12 ILE 693 HD12 ILE 693 40.258 -20.486 -3.574 65 HD13 ILE 693 HD13 ILE 693 39.017 -20.820 -4.781 66 H LEU 694 HN LEU 694 42.408 -16.211 -2.637 67 HA LEU 694 HA LEU 694 41.174 -14.328 -0.929 68 HB2 LEU 694 HB2 LEU 694 44.080 -15.076 -1.309 69 HB3 LEU 694 HB1 LEU 694 43.514 -13.990 -0.046 70 HG LEU 694 HG LEU 694 42.484 -16.817 -0.437 71 HD11 LEU 694 HD11 LEU 694 44.814 -16.948 0.190 72 HD12 LEU 694 HD12 LEU 694 43.846 -17.308 1.619 73 HD13 LEU 694 HD13 LEU 694 44.596 -15.722 1.438 74 HD21 LEU 694 HD21 LEU 694 41.959 -16.222 2.130 75 HD22 LEU 694 HD22 LEU 694 40.831 -15.833 0.834 76 HD23 LEU 694 HD23 LEU 694 41.904 -14.588 1.471 77 H VAL 695 HN VAL 695 43.346 -14.054 -3.682 78 HA VAL 695 HA VAL 695 43.924 -11.294 -3.448 79 HB VAL 695 HB VAL 695 43.840 -13.129 -5.853 80 HG11 VAL 695 HG11 VAL 695 43.767 -11.144 -6.989 81 HG12 VAL 695 HG12 VAL 695 45.481 -11.097 -6.576 82 HG13 VAL 695 HG13 VAL 695 44.313 -10.210 -5.596 83 HG21 VAL 695 HG21 VAL 695 45.561 -13.138 -3.746 84 HG22 VAL 695 HG22 VAL 695 46.354 -11.964 -4.797 85 HG23 VAL 695 HG23 VAL 695 46.029 -13.595 -5.384 86 H VAL 696 HN VAL 696 41.430 -13.074 -5.199 87 HA VAL 696 HA VAL 696 40.170 -10.828 -6.366 88 HB VAL 696 HB VAL 696 39.120 -13.575 -5.652 89 HG11 VAL 696 HG11 VAL 696 37.796 -11.158 -6.748 90 HG12 VAL 696 HG12 VAL 696 37.099 -12.533 -5.894 91 HG13 VAL 696 HG13 VAL 696 37.477 -12.662 -7.612 92 HG21 VAL 696 HG21 VAL 696 39.637 -14.172 -7.853 93 HG22 VAL 696 HG22 VAL 696 40.980 -13.100 -7.453 94 HG23 VAL 696 HG23 VAL 696 39.628 -12.500 -8.412 95 H LEU 697 HN LEU 697 39.645 -12.614 -3.330 96 HA LEU 697 HA LEU 697 37.364 -11.154 -2.518 97 HB2 LEU 697 HB2 LEU 697 39.431 -12.694 -0.959 98 HB3 LEU 697 HB1 LEU 697 38.021 -11.963 -0.200 99 HG LEU 697 HG LEU 697 37.853 -13.878 -2.545 100 HD11 LEU 697 HD11 LEU 697 37.444 -14.463 0.401 101 HD12 LEU 697 HD12 LEU 697 38.852 -14.960 -0.535 102 HD13 LEU 697 HD13 LEU 697 37.260 -15.607 -0.928 103 HD21 LEU 697 HD21 LEU 697 35.515 -13.975 -1.028 104 HD22 LEU 697 HD22 LEU 697 35.718 -13.132 -2.562 105 HD23 LEU 697 HD23 LEU 697 35.926 -12.261 -1.045 106 H LEU 698 HN LEU 698 40.809 -10.568 -1.891 107 HA LEU 698 HA LEU 698 40.431 -8.427 -0.076 108 HB2 LEU 698 HB2 LEU 698 42.742 -9.152 -1.882 109 HB3 LEU 698 HB1 LEU 698 42.801 -7.804 -0.751 110 HG LEU 698 HG LEU 698 42.127 -10.646 0.065 111 HD11 LEU 698 HD11 LEU 698 44.486 -10.559 1.051 112 HD12 LEU 698 HD12 LEU 698 44.762 -9.169 0.001 113 HD13 LEU 698 HD13 LEU 698 44.380 -10.743 -0.700 114 HD21 LEU 698 HD21 LEU 698 41.503 -9.590 1.965 115 HD22 LEU 698 HD22 LEU 698 42.180 -8.055 1.429 116 HD23 LEU 698 HD23 LEU 698 43.213 -9.246 2.216 117 H SER 699 HN SER 699 40.863 -8.591 -3.570 118 HA SER 699 HA SER 699 40.872 -5.819 -4.069 119 HB2 SER 699 HB2 SER 699 40.298 -6.492 -6.378 120 HB3 SER 699 HB1 SER 699 41.616 -7.460 -5.721 121 HG SER 699 HG SER 699 39.919 -8.984 -5.095 122 H VAL 700 HN VAL 700 38.314 -8.179 -3.605 123 HA VAL 700 HA VAL 700 36.160 -6.566 -4.545 124 HB VAL 700 HB VAL 700 36.227 -8.881 -2.598 125 HG11 VAL 700 HG11 VAL 700 34.045 -7.065 -3.463 126 HG12 VAL 700 HG12 VAL 700 34.190 -8.032 -1.995 127 HG13 VAL 700 HG13 VAL 700 33.675 -8.790 -3.502 128 HG21 VAL 700 HG21 VAL 700 36.550 -8.764 -5.368 129 HG22 VAL 700 HG22 VAL 700 34.853 -9.197 -5.153 130 HG23 VAL 700 HG23 VAL 700 36.117 -10.196 -4.433 131 H MET 701 HN MET 701 37.571 -7.145 -1.355 132 HA MET 701 HA MET 701 35.804 -5.475 0.081 133 HB2 MET 701 HB2 MET 701 38.658 -6.293 0.683 134 HB3 MET 701 HB1 MET 701 37.593 -5.480 1.824 135 HG2 MET 701 HG2 MET 701 37.034 -8.163 0.529 136 HG3 MET 701 HG1 MET 701 37.620 -7.941 2.172 137 HE1 MET 701 HE1 MET 701 35.817 -5.395 3.344 138 HE2 MET 701 HE2 MET 701 36.585 -6.862 3.949 139 HE3 MET 701 HE3 MET 701 34.861 -6.609 4.200 140 H GLY 702 HN GLY 702 38.861 -4.882 -1.617 141 HA2 GLY 702 HA2 GLY 702 39.269 -2.231 -0.689 142 HA3 GLY 702 HA1 GLY 702 39.916 -2.906 -2.180 143 H ALA 703 HN ALA 703 37.509 -3.538 -3.517 144 HA ALA 703 HA ALA 703 36.872 -1.073 -4.710 145 HB1 ALA 703 HB1 ALA 703 34.882 -3.268 -4.931 146 HB2 ALA 703 HB2 ALA 703 36.537 -3.664 -5.399 147 HB3 ALA 703 HB3 ALA 703 35.696 -2.338 -6.193 148 H ILE 704 HN ILE 704 35.202 -3.032 -2.236 149 HA ILE 704 HA ILE 704 32.810 -1.503 -2.171 150 HB ILE 704 HB ILE 704 34.180 -3.141 -0.021 151 HG12 ILE 704 HG12 ILE 704 31.750 -3.769 -1.725 152 HG13 ILE 704 HG11 ILE 704 33.383 -4.272 -2.161 153 HG21 ILE 704 HG21 ILE 704 32.717 -1.979 1.326 154 HG22 ILE 704 HG22 ILE 704 31.530 -3.092 0.640 155 HG23 ILE 704 HG23 ILE 704 31.720 -1.474 -0.035 156 HD11 ILE 704 HD11 ILE 704 31.645 -5.699 -0.533 157 HD12 ILE 704 HD12 ILE 704 32.715 -4.901 0.619 158 HD13 ILE 704 HD13 ILE 704 33.390 -5.942 -0.633 159 H LEU 705 HN LEU 705 35.877 -1.220 -0.360 160 HA LEU 705 HA LEU 705 35.032 0.878 1.379 161 HB2 LEU 705 HB2 LEU 705 37.780 0.162 0.312 162 HB3 LEU 705 HB1 LEU 705 37.496 1.378 1.554 163 HG LEU 705 HG LEU 705 36.578 -1.511 1.766 164 HD11 LEU 705 HD11 LEU 705 38.996 -1.492 1.770 165 HD12 LEU 705 HD12 LEU 705 38.458 -1.697 3.438 166 HD13 LEU 705 HD13 LEU 705 39.030 -0.123 2.880 167 HD21 LEU 705 HD21 LEU 705 35.257 -0.442 3.322 168 HD22 LEU 705 HD22 LEU 705 36.366 0.917 3.502 169 HD23 LEU 705 HD23 LEU 705 36.712 -0.617 4.296 170 H LEU 706 HN LEU 706 36.521 0.986 -1.844 171 HA LEU 706 HA LEU 706 36.854 3.799 -1.965 172 HB2 LEU 706 HB2 LEU 706 36.536 1.702 -4.116 173 HB3 LEU 706 HB1 LEU 706 36.838 3.398 -4.473 174 HG LEU 706 HG LEU 706 38.592 1.699 -2.675 175 HD11 LEU 706 HD11 LEU 706 38.934 2.464 -5.592 176 HD12 LEU 706 HD12 LEU 706 38.658 0.839 -4.966 177 HD13 LEU 706 HD13 LEU 706 40.166 1.678 -4.601 178 HD21 LEU 706 HD21 LEU 706 39.206 3.828 -2.080 179 HD22 LEU 706 HD22 LEU 706 38.618 4.541 -3.580 180 HD23 LEU 706 HD23 LEU 706 40.167 3.701 -3.550 181 H ILE 707 HN ILE 707 34.183 1.698 -2.858 182 HA ILE 707 HA ILE 707 32.563 3.675 -4.099 183 HB ILE 707 HB ILE 707 31.848 1.064 -2.723 184 HG12 ILE 707 HG12 ILE 707 31.874 1.814 -5.663 185 HG13 ILE 707 HG11 ILE 707 33.250 1.075 -4.847 186 HG21 ILE 707 HG21 ILE 707 30.142 3.108 -4.148 187 HG22 ILE 707 HG22 ILE 707 29.842 2.289 -2.613 188 HG23 ILE 707 HG23 ILE 707 29.698 1.401 -4.128 189 HD11 ILE 707 HD11 ILE 707 31.668 -0.531 -6.052 190 HD12 ILE 707 HD12 ILE 707 30.498 -0.165 -4.785 191 HD13 ILE 707 HD13 ILE 707 32.038 -0.921 -4.371 192 H GLY 708 HN GLY 708 32.732 2.571 -0.724 193 HA2 GLY 708 HA2 GLY 708 30.535 4.126 0.214 194 HA3 GLY 708 HA1 GLY 708 31.785 3.387 1.209 195 H LEU 709 HN LEU 709 34.074 4.615 0.247 196 HA LEU 709 HA LEU 709 33.990 7.140 1.549 197 HB2 LEU 709 HB2 LEU 709 36.068 5.537 0.145 198 HB3 LEU 709 HB1 LEU 709 36.365 7.258 0.381 199 HG LEU 709 HG LEU 709 35.964 6.998 2.806 200 HD11 LEU 709 HD11 LEU 709 35.734 4.039 2.197 201 HD12 LEU 709 HD12 LEU 709 34.396 5.073 2.683 202 HD13 LEU 709 HD13 LEU 709 35.725 4.771 3.795 203 HD21 LEU 709 HD21 LEU 709 37.961 5.010 1.687 204 HD22 LEU 709 HD22 LEU 709 37.995 5.697 3.311 205 HD23 LEU 709 HD23 LEU 709 38.244 6.737 1.909 206 H ALA 710 HN ALA 710 33.937 6.086 -1.799 207 HA ALA 710 HA ALA 710 34.617 8.260 -3.235 208 HB1 ALA 710 HB1 ALA 710 33.869 6.780 -4.740 209 HB2 ALA 710 HB2 ALA 710 32.300 7.556 -4.540 210 HB3 ALA 710 HB3 ALA 710 32.690 6.100 -3.621 211 HA PRO 711 HA PRO 711 30.410 10.536 -2.894 212 HB2 PRO 711 HB2 PRO 711 28.723 9.736 -0.861 213 HB3 PRO 711 HB1 PRO 711 28.596 9.190 -2.545 214 HG2 PRO 711 HG2 PRO 711 29.812 7.825 -0.196 215 HG3 PRO 711 HG1 PRO 711 28.845 7.151 -1.521 216 HD2 PRO 711 HD2 PRO 711 31.542 6.899 -1.445 217 HD3 PRO 711 HD1 PRO 711 30.655 7.049 -2.977 218 H LEU 712 HN LEU 712 31.862 9.314 0.086 219 HA LEU 712 HA LEU 712 31.332 11.608 1.681 220 HB2 LEU 712 HB2 LEU 712 33.446 9.448 1.862 221 HB3 LEU 712 HB1 LEU 712 33.252 10.717 3.070 222 HG LEU 712 HG LEU 712 31.034 8.830 2.220 223 HD11 LEU 712 HD11 LEU 712 31.614 8.118 4.767 224 HD12 LEU 712 HD12 LEU 712 33.223 8.567 4.204 225 HD13 LEU 712 HD13 LEU 712 32.310 7.317 3.359 226 HD21 LEU 712 HD21 LEU 712 31.204 11.185 3.980 227 HD22 LEU 712 HD22 LEU 712 30.513 9.771 4.772 228 HD23 LEU 712 HD23 LEU 712 29.788 10.394 3.292 229 H LEU 713 HN LEU 713 34.032 10.559 -0.373 230 HA LEU 713 HA LEU 713 35.690 12.800 0.136 231 HB2 LEU 713 HB2 LEU 713 35.533 10.872 -2.187 232 HB3 LEU 713 HB1 LEU 713 36.774 12.115 -2.049 233 HG LEU 713 HG LEU 713 36.230 10.019 0.075 234 HD11 LEU 713 HD11 LEU 713 37.162 8.628 -1.471 235 HD12 LEU 713 HD12 LEU 713 38.666 9.385 -0.947 236 HD13 LEU 713 HD13 LEU 713 37.851 9.958 -2.401 237 HD21 LEU 713 HD21 LEU 713 38.844 10.904 0.305 238 HD22 LEU 713 HD22 LEU 713 37.496 11.452 1.298 239 HD23 LEU 713 HD23 LEU 713 37.979 12.379 -0.120 240 H ILE 714 HN ILE 714 33.275 12.074 -2.364 241 HA ILE 714 HA ILE 714 33.623 14.471 -3.835 242 HB ILE 714 HB ILE 714 31.250 12.614 -3.565 243 HG12 ILE 714 HG12 ILE 714 33.193 12.997 -5.858 244 HG13 ILE 714 HG11 ILE 714 33.418 11.778 -4.604 245 HG21 ILE 714 HG21 ILE 714 30.117 14.387 -4.445 246 HG22 ILE 714 HG22 ILE 714 30.922 13.911 -5.941 247 HG23 ILE 714 HG23 ILE 714 31.594 15.206 -4.952 248 HD11 ILE 714 HD11 ILE 714 31.784 10.441 -5.441 249 HD12 ILE 714 HD12 ILE 714 31.996 11.380 -6.918 250 HD13 ILE 714 HD13 ILE 714 30.718 11.804 -5.781 251 H TRP 715 HN TRP 715 31.396 13.554 -1.201 252 HA TRP 715 HA TRP 715 30.041 16.037 -1.102 253 HB2 TRP 715 HB2 TRP 715 29.161 13.966 -0.076 254 HB3 TRP 715 HB1 TRP 715 30.483 13.992 1.090 255 HD1 TRP 715 HD1 TRP 715 30.072 15.284 3.243 256 HE1 TRP 715 HE1 TRP 715 28.319 16.993 4.054 257 HE3 TRP 715 HE3 TRP 715 27.501 16.046 -1.103 258 HZ2 TRP 715 HZ2 TRP 715 26.120 18.487 2.999 259 HZ3 TRP 715 HZ3 TRP 715 25.584 17.615 -1.171 260 HH2 TRP 715 HH2 TRP 715 24.890 18.836 0.872 261 H ALA 716 HN ALA 716 32.786 14.688 0.705 262 HA ALA 716 HA ALA 716 33.221 16.882 2.392 263 HB1 ALA 716 HB1 ALA 716 35.050 14.743 1.309 264 HB2 ALA 716 HB2 ALA 716 34.377 14.891 2.932 265 HB3 ALA 716 HB3 ALA 716 35.637 16.002 2.396 266 H LEU 717 HN LEU 717 34.458 16.181 -0.867 267 HA LEU 717 HA LEU 717 36.162 18.408 -1.049 268 HB2 LEU 717 HB2 LEU 717 34.811 16.645 -3.073 269 HB3 LEU 717 HB1 LEU 717 35.744 18.048 -3.585 270 HG LEU 717 HG LEU 717 36.830 15.891 -1.747 271 HD11 LEU 717 HD11 LEU 717 36.478 15.952 -4.658 272 HD12 LEU 717 HD12 LEU 717 36.873 14.596 -3.603 273 HD13 LEU 717 HD13 LEU 717 38.150 15.673 -4.169 274 HD21 LEU 717 HD21 LEU 717 38.491 17.398 -1.476 275 HD22 LEU 717 HD22 LEU 717 37.812 18.468 -2.699 276 HD23 LEU 717 HD23 LEU 717 38.886 17.155 -3.175 277 H LEU 718 HN LEU 718 32.744 17.924 -1.968 278 HA LEU 718 HA LEU 718 32.409 20.524 -3.054 279 HB2 LEU 718 HB2 LEU 718 30.440 18.551 -1.888 280 HB3 LEU 718 HB1 LEU 718 29.952 20.079 -2.617 281 HG LEU 718 HG LEU 718 31.644 17.997 -4.033 282 HD11 LEU 718 HD11 LEU 718 29.400 17.734 -5.344 283 HD12 LEU 718 HD12 LEU 718 28.669 18.399 -3.883 284 HD13 LEU 718 HD13 LEU 718 29.592 16.898 -3.803 285 HD21 LEU 718 HD21 LEU 718 30.516 20.670 -4.750 286 HD22 LEU 718 HD22 LEU 718 30.475 19.421 -5.991 287 HD23 LEU 718 HD23 LEU 718 32.012 19.900 -5.277 288 H ILE 719 HN ILE 719 31.821 19.164 0.176 289 HA ILE 719 HA ILE 719 30.879 21.578 1.332 290 HB ILE 719 HB ILE 719 32.102 19.100 2.556 291 HG12 ILE 719 HG12 ILE 719 29.907 18.770 1.475 292 HG13 ILE 719 HG11 ILE 719 29.782 18.607 3.220 293 HG21 ILE 719 HG21 ILE 719 30.897 20.125 4.655 294 HG22 ILE 719 HG22 ILE 719 31.130 21.648 3.796 295 HG23 ILE 719 HG23 ILE 719 32.524 20.655 4.224 296 HD11 ILE 719 HD11 ILE 719 28.633 20.671 1.418 297 HD12 ILE 719 HD12 ILE 719 29.233 21.261 2.964 298 HD13 ILE 719 HD13 ILE 719 27.997 20.009 2.921 299 H THR 720 HN THR 720 34.032 19.974 1.166 300 HA THR 720 HA THR 720 35.428 21.939 2.685 301 HB THR 720 HB THR 720 36.440 20.106 0.497 302 HG1 THR 720 HG1 THR 720 35.481 19.144 2.403 303 HG21 THR 720 HG21 THR 720 37.771 21.985 2.412 304 HG22 THR 720 HG22 THR 720 38.148 21.665 0.719 305 HG23 THR 720 HG23 THR 720 38.596 20.494 1.959 306 H ILE 721 HN ILE 721 34.797 21.483 -0.778 307 HA ILE 721 HA ILE 721 36.236 23.799 -1.631 308 HB ILE 721 HB ILE 721 34.005 22.235 -2.922 309 HG12 ILE 721 HG12 ILE 721 36.534 21.457 -2.528 310 HG13 ILE 721 HG11 ILE 721 35.691 21.092 -4.034 311 HG21 ILE 721 HG21 ILE 721 33.765 24.379 -3.885 312 HG22 ILE 721 HG22 ILE 721 34.817 23.521 -5.010 313 HG23 ILE 721 HG23 ILE 721 35.503 24.679 -3.868 314 HD11 ILE 721 HD11 ILE 721 38.054 22.115 -4.206 315 HD12 ILE 721 HD12 ILE 721 37.304 23.626 -3.697 316 HD13 ILE 721 HD13 ILE 721 36.789 22.844 -5.192 317 H HIS 722 HN HIS 722 32.833 23.302 -0.793 318 HA HIS 722 HA HIS 722 31.900 25.868 -1.483 319 HB2 HIS 722 HB2 HIS 722 30.929 23.648 0.241 320 HB3 HIS 722 HB1 HIS 722 30.226 25.240 0.511 321 HD1 HIS 722 HD1 HIS 722 30.632 22.613 -2.177 322 HD2 HIS 722 HD2 HIS 722 28.514 26.143 -1.527 323 HE1 HIS 722 HE1 HIS 722 28.957 22.801 -4.067 324 H ASP 723 HN ASP 723 33.419 24.634 1.461 325 HA ASP 723 HA ASP 723 33.016 27.153 2.861 326 HB2 ASP 723 HB2 ASP 723 32.896 25.015 4.087 327 HB3 ASP 723 HB1 ASP 723 34.577 24.688 3.666 328 H ARG 724 HN ARG 724 34.258 28.826 2.367 329 HA ARG 724 HA ARG 724 37.148 28.366 1.912 330 HB2 ARG 724 HB2 ARG 724 35.967 29.012 -0.178 331 HB3 ARG 724 HB1 ARG 724 35.414 30.486 0.616 332 HG2 ARG 724 HG2 ARG 724 37.783 31.149 0.994 333 HG3 ARG 724 HG1 ARG 724 38.305 29.699 0.135 334 HD2 ARG 724 HD2 ARG 724 36.529 31.847 -1.053 335 HD3 ARG 724 HD1 ARG 724 38.268 31.741 -1.310 336 HE ARG 724 HE ARG 724 36.235 30.028 -2.486 337 HH11 ARG 724 HH21 ARG 724 39.562 30.501 -1.659 338 HH12 ARG 724 HH22 ARG 724 40.158 29.386 -2.843 339 HH21 ARG 724 HH11 ARG 724 37.009 28.564 -4.041 340 HH22 ARG 724 HH12 ARG 724 38.713 28.289 -4.192 341 H LYS 725 HN LYS 725 38.500 29.541 3.149 342 HA LYS 725 HA LYS 725 37.505 30.995 5.374 343 HB2 LYS 725 HB2 LYS 725 39.688 29.790 5.337 344 HB3 LYS 725 HB1 LYS 725 40.308 31.020 4.234 345 HG2 LYS 725 HG2 LYS 725 39.895 32.765 5.905 346 HG3 LYS 725 HG1 LYS 725 39.206 31.570 7.007 347 HD2 LYS 725 HD2 LYS 725 41.371 30.371 7.049 348 HD3 LYS 725 HD1 LYS 725 42.058 31.586 5.970 349 HE2 LYS 725 HE2 LYS 725 41.618 33.339 7.643 350 HE3 LYS 725 HE1 LYS 725 40.910 32.137 8.722 351 HZ1 LYS 725 HZ1 LYS 725 43.699 32.057 7.707 352 HZ2 LYS 725 HZ2 LYS 725 43.003 31.001 8.842 353 HZ3 LYS 725 HZ3 LYS 725 43.248 32.637 9.235 354 H GLU 726 HN GLU 726 37.105 33.106 5.660 355 HA GLU 726 HA GLU 726 37.721 34.947 3.421 356 HB2 GLU 726 HB2 GLU 726 35.419 34.974 5.391 357 HB3 GLU 726 HB1 GLU 726 35.747 36.249 4.219 358 HG2 GLU 726 HG2 GLU 726 35.246 33.346 3.508 359 HG3 GLU 726 HG1 GLU 726 34.035 34.621 3.414 360 H PHE 727 HN PHE 727 39.054 36.582 3.858 361 HA PHE 727 HA PHE 727 40.441 37.995 5.026 362 HB2 PHE 727 HB2 PHE 727 38.023 37.997 6.844 363 HB3 PHE 727 HB1 PHE 727 39.393 39.092 7.028 364 HD1 PHE 727 HD2 PHE 727 39.955 40.715 5.212 365 HD2 PHE 727 HD1 PHE 727 36.392 38.317 5.112 366 HE1 PHE 727 HE2 PHE 727 38.995 42.212 3.485 367 HE2 PHE 727 HE1 PHE 727 35.433 39.815 3.383 368 HZ PHE 727 HZ PHE 727 36.734 41.763 2.570 Start of MODEL 10 1 H2 PRO 685 HT1 PRO 685 41.089 -24.896 0.506 2 H3 PRO 685 HT2 PRO 685 39.772 -24.604 -0.529 3 HA PRO 685 HA PRO 685 40.181 -22.449 -0.432 4 HB2 PRO 685 HB2 PRO 685 40.127 -22.111 2.475 5 HB3 PRO 685 HB1 PRO 685 38.982 -21.517 1.255 6 HG2 PRO 685 HG2 PRO 685 38.413 -23.515 3.005 7 HG3 PRO 685 HG1 PRO 685 37.661 -23.352 1.411 8 HD2 PRO 685 HD2 PRO 685 39.796 -25.250 2.300 9 HD3 PRO 685 HD1 PRO 685 38.515 -25.479 1.091 10 H GLU 686 HN GLU 686 41.788 -23.899 2.411 11 HA GLU 686 HA GLU 686 44.136 -22.207 1.925 12 HB2 GLU 686 HB2 GLU 686 44.868 -22.908 4.144 13 HB3 GLU 686 HB1 GLU 686 43.209 -22.318 4.219 14 HG2 GLU 686 HG2 GLU 686 42.393 -24.664 4.096 15 HG3 GLU 686 HG1 GLU 686 44.063 -25.229 4.101 16 H SER 687 HN SER 687 43.013 -25.254 1.116 17 HA SER 687 HA SER 687 45.300 -26.870 1.420 18 HB2 SER 687 HB2 SER 687 43.898 -27.621 -0.949 19 HB3 SER 687 HB1 SER 687 43.880 -28.399 0.630 20 HG SER 687 HG SER 687 41.935 -27.656 0.826 21 HA PRO 688 HA PRO 688 46.313 -25.463 -3.150 22 HB2 PRO 688 HB2 PRO 688 45.346 -22.668 -3.066 23 HB3 PRO 688 HB1 PRO 688 45.166 -23.884 -4.342 24 HG2 PRO 688 HG2 PRO 688 43.115 -23.104 -2.801 25 HG3 PRO 688 HG1 PRO 688 43.261 -24.753 -3.432 26 HD2 PRO 688 HD2 PRO 688 43.784 -23.744 -0.663 27 HD3 PRO 688 HD1 PRO 688 43.115 -25.303 -1.189 28 H LYS 689 HN LYS 689 48.332 -24.611 -3.576 29 HA LYS 689 HA LYS 689 49.893 -23.662 -1.422 30 HB2 LYS 689 HB2 LYS 689 50.398 -23.673 -4.403 31 HB3 LYS 689 HB1 LYS 689 51.611 -23.226 -3.204 32 HG2 LYS 689 HG2 LYS 689 51.389 -25.434 -2.137 33 HG3 LYS 689 HG1 LYS 689 50.162 -25.887 -3.323 34 HD2 LYS 689 HD2 LYS 689 51.804 -25.594 -5.141 35 HD3 LYS 689 HD1 LYS 689 53.033 -25.141 -3.960 36 HE2 LYS 689 HE2 LYS 689 52.822 -27.348 -2.881 37 HE3 LYS 689 HE1 LYS 689 51.584 -27.804 -4.052 38 HZ1 LYS 689 HZ1 LYS 689 53.988 -26.803 -5.262 39 HZ2 LYS 689 HZ2 LYS 689 53.107 -28.216 -5.603 40 HZ3 LYS 689 HZ3 LYS 689 54.246 -28.204 -4.341 41 H GLY 690 HN GLY 690 48.401 -22.008 -4.181 42 HA2 GLY 690 HA2 GLY 690 48.531 -19.479 -2.724 43 HA3 GLY 690 HA1 GLY 690 49.385 -19.543 -4.253 44 HA PRO 691 HA PRO 691 44.725 -20.023 -5.304 45 HB2 PRO 691 HB2 PRO 691 42.903 -19.208 -3.474 46 HB3 PRO 691 HB1 PRO 691 43.576 -20.853 -3.482 47 HG2 PRO 691 HG2 PRO 691 44.302 -18.520 -1.775 48 HG3 PRO 691 HG1 PRO 691 44.108 -20.226 -1.333 49 HD2 PRO 691 HD2 PRO 691 46.547 -19.047 -1.777 50 HD3 PRO 691 HD1 PRO 691 46.248 -20.784 -2.010 51 H ASP 692 HN ASP 692 43.394 -18.470 -6.318 52 HA ASP 692 HA ASP 692 44.398 -15.715 -6.079 53 HB2 ASP 692 HB2 ASP 692 42.809 -17.115 -8.238 54 HB3 ASP 692 HB1 ASP 692 43.177 -15.391 -8.258 55 H ILE 693 HN ILE 693 41.926 -17.564 -4.921 56 HA ILE 693 HA ILE 693 39.653 -15.902 -5.204 57 HB ILE 693 HB ILE 693 40.377 -17.992 -3.139 58 HG12 ILE 693 HG12 ILE 693 38.378 -18.081 -5.416 59 HG13 ILE 693 HG11 ILE 693 40.038 -18.655 -5.572 60 HG21 ILE 693 HG21 ILE 693 38.094 -16.114 -3.354 61 HG22 ILE 693 HG22 ILE 693 38.721 -16.968 -1.944 62 HG23 ILE 693 HG23 ILE 693 37.661 -17.801 -3.079 63 HD11 ILE 693 HD11 ILE 693 39.602 -20.554 -4.424 64 HD12 ILE 693 HD12 ILE 693 37.900 -20.169 -4.676 65 HD13 ILE 693 HD13 ILE 693 38.701 -19.689 -3.179 66 H LEU 694 HN LEU 694 42.149 -16.215 -2.744 67 HA LEU 694 HA LEU 694 41.102 -14.331 -0.919 68 HB2 LEU 694 HB2 LEU 694 43.924 -15.289 -1.435 69 HB3 LEU 694 HB1 LEU 694 43.496 -14.215 -0.107 70 HG LEU 694 HG LEU 694 42.217 -16.925 -0.574 71 HD11 LEU 694 HD11 LEU 694 44.689 -16.999 -0.028 72 HD12 LEU 694 HD12 LEU 694 43.648 -17.802 1.147 73 HD13 LEU 694 HD13 LEU 694 44.304 -16.202 1.497 74 HD21 LEU 694 HD21 LEU 694 41.843 -16.400 2.037 75 HD22 LEU 694 HD22 LEU 694 40.701 -15.871 0.804 76 HD23 LEU 694 HD23 LEU 694 41.893 -14.741 1.442 77 H VAL 695 HN VAL 695 43.265 -14.084 -3.701 78 HA VAL 695 HA VAL 695 43.971 -11.357 -3.358 79 HB VAL 695 HB VAL 695 43.843 -13.111 -5.822 80 HG11 VAL 695 HG11 VAL 695 43.770 -10.994 -6.782 81 HG12 VAL 695 HG12 VAL 695 45.511 -11.207 -6.593 82 HG13 VAL 695 HG13 VAL 695 44.608 -10.239 -5.427 83 HG21 VAL 695 HG21 VAL 695 46.149 -13.460 -5.480 84 HG22 VAL 695 HG22 VAL 695 45.491 -13.522 -3.844 85 HG23 VAL 695 HG23 VAL 695 46.295 -12.060 -4.416 86 H VAL 696 HN VAL 696 41.447 -12.994 -5.182 87 HA VAL 696 HA VAL 696 40.265 -10.685 -6.306 88 HB VAL 696 HB VAL 696 39.132 -13.424 -5.681 89 HG11 VAL 696 HG11 VAL 696 37.946 -11.019 -7.075 90 HG12 VAL 696 HG12 VAL 696 37.234 -12.006 -5.799 91 HG13 VAL 696 HG13 VAL 696 37.396 -12.657 -7.430 92 HG21 VAL 696 HG21 VAL 696 39.611 -12.373 -8.435 93 HG22 VAL 696 HG22 VAL 696 39.774 -14.016 -7.816 94 HG23 VAL 696 HG23 VAL 696 41.029 -12.822 -7.485 95 H LEU 697 HN LEU 697 39.677 -12.535 -3.327 96 HA LEU 697 HA LEU 697 37.408 -11.098 -2.488 97 HB2 LEU 697 HB2 LEU 697 38.045 -13.251 -1.518 98 HB3 LEU 697 HB1 LEU 697 39.506 -12.535 -0.847 99 HG LEU 697 HG LEU 697 38.164 -11.056 0.578 100 HD11 LEU 697 HD11 LEU 697 35.614 -11.739 0.619 101 HD12 LEU 697 HD12 LEU 697 35.928 -12.227 -1.047 102 HD13 LEU 697 HD13 LEU 697 36.190 -10.553 -0.552 103 HD21 LEU 697 HD21 LEU 697 38.139 -12.736 2.069 104 HD22 LEU 697 HD22 LEU 697 38.280 -13.894 0.746 105 HD23 LEU 697 HD23 LEU 697 36.688 -13.398 1.318 106 H LEU 698 HN LEU 698 40.857 -10.534 -1.818 107 HA LEU 698 HA LEU 698 40.478 -8.406 0.014 108 HB2 LEU 698 HB2 LEU 698 42.803 -9.132 -1.776 109 HB3 LEU 698 HB1 LEU 698 42.861 -7.803 -0.620 110 HG LEU 698 HG LEU 698 42.151 -10.653 0.131 111 HD11 LEU 698 HD11 LEU 698 44.397 -10.835 -0.536 112 HD12 LEU 698 HD12 LEU 698 44.520 -10.506 1.192 113 HD13 LEU 698 HD13 LEU 698 44.792 -9.211 0.027 114 HD21 LEU 698 HD21 LEU 698 42.213 -8.087 1.548 115 HD22 LEU 698 HD22 LEU 698 43.212 -9.314 2.325 116 HD23 LEU 698 HD23 LEU 698 41.503 -9.625 2.036 117 H SER 699 HN SER 699 40.962 -8.537 -3.475 118 HA SER 699 HA SER 699 41.000 -5.760 -3.944 119 HB2 SER 699 HB2 SER 699 40.459 -6.404 -6.274 120 HB3 SER 699 HB1 SER 699 41.758 -7.386 -5.603 121 HG SER 699 HG SER 699 40.049 -8.909 -5.021 122 H VAL 700 HN VAL 700 38.412 -8.107 -3.557 123 HA VAL 700 HA VAL 700 36.285 -6.465 -4.509 124 HB VAL 700 HB VAL 700 36.305 -8.805 -2.589 125 HG11 VAL 700 HG11 VAL 700 33.789 -8.782 -3.361 126 HG12 VAL 700 HG12 VAL 700 34.092 -7.065 -3.632 127 HG13 VAL 700 HG13 VAL 700 34.303 -7.754 -2.023 128 HG21 VAL 700 HG21 VAL 700 34.992 -9.024 -5.206 129 HG22 VAL 700 HG22 VAL 700 36.148 -10.113 -4.437 130 HG23 VAL 700 HG23 VAL 700 36.722 -8.699 -5.321 131 H MET 701 HN MET 701 37.641 -7.092 -1.297 132 HA MET 701 HA MET 701 35.862 -5.423 0.126 133 HB2 MET 701 HB2 MET 701 38.701 -6.260 0.768 134 HB3 MET 701 HB1 MET 701 37.618 -5.453 1.899 135 HG2 MET 701 HG2 MET 701 37.072 -8.122 0.566 136 HG3 MET 701 HG1 MET 701 37.627 -7.920 2.223 137 HE1 MET 701 HE1 MET 701 34.824 -6.587 4.210 138 HE2 MET 701 HE2 MET 701 35.823 -5.391 3.392 139 HE3 MET 701 HE3 MET 701 36.555 -6.875 3.997 140 H GLY 702 HN GLY 702 38.934 -4.848 -1.522 141 HA2 GLY 702 HA2 GLY 702 39.347 -2.200 -0.579 142 HA3 GLY 702 HA1 GLY 702 40.013 -2.878 -2.062 143 H ALA 703 HN ALA 703 37.647 -3.488 -3.419 144 HA ALA 703 HA ALA 703 37.019 -1.010 -4.610 145 HB1 ALA 703 HB1 ALA 703 35.863 -3.775 -4.791 146 HB2 ALA 703 HB2 ALA 703 36.734 -2.852 -6.015 147 HB3 ALA 703 HB3 ALA 703 35.073 -2.424 -5.603 148 H ILE 704 HN ILE 704 35.338 -2.957 -2.168 149 HA ILE 704 HA ILE 704 32.933 -1.479 -2.138 150 HB ILE 704 HB ILE 704 34.300 -3.105 0.015 151 HG12 ILE 704 HG12 ILE 704 31.850 -3.723 -1.658 152 HG13 ILE 704 HG11 ILE 704 33.476 -4.220 -2.125 153 HG21 ILE 704 HG21 ILE 704 31.676 -3.058 0.707 154 HG22 ILE 704 HG22 ILE 704 31.845 -1.438 0.033 155 HG23 ILE 704 HG23 ILE 704 32.871 -1.945 1.374 156 HD11 ILE 704 HD11 ILE 704 33.493 -5.912 -0.629 157 HD12 ILE 704 HD12 ILE 704 31.757 -5.645 -0.467 158 HD13 ILE 704 HD13 ILE 704 32.876 -4.877 0.659 159 H LEU 705 HN LEU 705 35.945 -1.122 -0.273 160 HA LEU 705 HA LEU 705 35.052 0.966 1.395 161 HB2 LEU 705 HB2 LEU 705 37.811 0.229 0.408 162 HB3 LEU 705 HB1 LEU 705 37.521 1.485 1.609 163 HG LEU 705 HG LEU 705 36.555 -1.378 1.883 164 HD11 LEU 705 HD11 LEU 705 39.126 -0.048 2.619 165 HD12 LEU 705 HD12 LEU 705 38.828 -1.705 2.093 166 HD13 LEU 705 HD13 LEU 705 38.450 -1.224 3.747 167 HD21 LEU 705 HD21 LEU 705 36.675 -0.422 4.394 168 HD22 LEU 705 HD22 LEU 705 35.236 -0.244 3.393 169 HD23 LEU 705 HD23 LEU 705 36.370 1.096 3.551 170 H LEU 706 HN LEU 706 36.638 1.033 -1.796 171 HA LEU 706 HA LEU 706 36.939 3.832 -1.964 172 HB2 LEU 706 HB2 LEU 706 36.642 1.705 -4.090 173 HB3 LEU 706 HB1 LEU 706 36.999 3.390 -4.458 174 HG LEU 706 HG LEU 706 38.660 1.680 -2.580 175 HD11 LEU 706 HD11 LEU 706 39.352 0.660 -4.480 176 HD12 LEU 706 HD12 LEU 706 40.205 2.169 -4.805 177 HD13 LEU 706 HD13 LEU 706 38.615 1.885 -5.513 178 HD21 LEU 706 HD21 LEU 706 40.232 3.716 -3.610 179 HD22 LEU 706 HD22 LEU 706 39.468 3.725 -2.021 180 HD23 LEU 706 HD23 LEU 706 38.676 4.513 -3.383 181 H ILE 707 HN ILE 707 34.292 1.681 -2.925 182 HA ILE 707 HA ILE 707 32.700 3.632 -4.202 183 HB ILE 707 HB ILE 707 31.966 1.032 -2.849 184 HG12 ILE 707 HG12 ILE 707 32.067 1.767 -5.788 185 HG13 ILE 707 HG11 ILE 707 33.438 1.062 -4.933 186 HG21 ILE 707 HG21 ILE 707 30.308 3.056 -4.352 187 HG22 ILE 707 HG22 ILE 707 29.945 2.257 -2.823 188 HG23 ILE 707 HG23 ILE 707 29.863 1.350 -4.333 189 HD11 ILE 707 HD11 ILE 707 32.021 -0.641 -6.114 190 HD12 ILE 707 HD12 ILE 707 30.685 -0.197 -5.052 191 HD13 ILE 707 HD13 ILE 707 32.145 -0.917 -4.377 192 H GLY 708 HN GLY 708 32.775 2.518 -0.835 193 HA2 GLY 708 HA2 GLY 708 30.570 4.099 0.045 194 HA3 GLY 708 HA1 GLY 708 31.779 3.343 1.081 195 H LEU 709 HN LEU 709 34.077 4.541 0.090 196 HA LEU 709 HA LEU 709 34.105 7.027 1.442 197 HB2 LEU 709 HB2 LEU 709 36.115 5.629 -0.327 198 HB3 LEU 709 HB1 LEU 709 36.446 7.154 0.491 199 HG LEU 709 HG LEU 709 35.527 4.639 1.917 200 HD11 LEU 709 HD11 LEU 709 37.702 4.190 0.967 201 HD12 LEU 709 HD12 LEU 709 37.925 4.523 2.684 202 HD13 LEU 709 HD13 LEU 709 38.309 5.762 1.487 203 HD21 LEU 709 HD21 LEU 709 36.924 6.255 3.686 204 HD22 LEU 709 HD22 LEU 709 35.169 6.143 3.576 205 HD23 LEU 709 HD23 LEU 709 36.025 7.425 2.722 206 H ALA 710 HN ALA 710 33.956 6.046 -1.927 207 HA ALA 710 HA ALA 710 34.634 8.258 -3.318 208 HB1 ALA 710 HB1 ALA 710 32.737 6.083 -3.755 209 HB2 ALA 710 HB2 ALA 710 33.912 6.800 -4.854 210 HB3 ALA 710 HB3 ALA 710 32.332 7.551 -4.644 211 HA PRO 711 HA PRO 711 30.407 10.481 -2.972 212 HB2 PRO 711 HB2 PRO 711 28.710 9.639 -0.963 213 HB3 PRO 711 HB1 PRO 711 28.600 9.116 -2.654 214 HG2 PRO 711 HG2 PRO 711 29.799 7.724 -0.317 215 HG3 PRO 711 HG1 PRO 711 28.863 7.064 -1.668 216 HD2 PRO 711 HD2 PRO 711 31.565 6.852 -1.541 217 HD3 PRO 711 HD1 PRO 711 30.700 6.992 -3.084 218 H LEU 712 HN LEU 712 31.827 9.228 0.021 219 HA LEU 712 HA LEU 712 31.261 11.508 1.625 220 HB2 LEU 712 HB2 LEU 712 33.373 9.349 1.824 221 HB3 LEU 712 HB1 LEU 712 33.153 10.604 3.042 222 HG LEU 712 HG LEU 712 30.955 8.725 2.127 223 HD11 LEU 712 HD11 LEU 712 32.958 8.537 4.366 224 HD12 LEU 712 HD12 LEU 712 32.455 7.291 3.224 225 HD13 LEU 712 HD13 LEU 712 31.369 7.789 4.521 226 HD21 LEU 712 HD21 LEU 712 30.203 9.559 4.572 227 HD22 LEU 712 HD22 LEU 712 29.786 10.452 3.111 228 HD23 LEU 712 HD23 LEU 712 31.152 10.967 4.096 229 H LEU 713 HN LEU 713 34.017 10.490 -0.367 230 HA LEU 713 HA LEU 713 35.642 12.742 0.206 231 HB2 LEU 713 HB2 LEU 713 35.578 10.823 -2.128 232 HB3 LEU 713 HB1 LEU 713 36.803 12.075 -1.940 233 HG LEU 713 HG LEU 713 36.205 9.962 0.153 234 HD11 LEU 713 HD11 LEU 713 37.085 8.938 -1.911 235 HD12 LEU 713 HD12 LEU 713 38.278 8.871 -0.614 236 HD13 LEU 713 HD13 LEU 713 38.437 10.070 -1.896 237 HD21 LEU 713 HD21 LEU 713 38.720 10.769 0.654 238 HD22 LEU 713 HD22 LEU 713 37.320 11.579 1.355 239 HD23 LEU 713 HD23 LEU 713 38.108 12.254 -0.068 240 H ILE 714 HN ILE 714 33.336 11.998 -2.381 241 HA ILE 714 HA ILE 714 33.706 14.407 -3.831 242 HB ILE 714 HB ILE 714 31.369 12.494 -3.679 243 HG12 ILE 714 HG12 ILE 714 33.410 12.936 -5.876 244 HG13 ILE 714 HG11 ILE 714 33.606 11.720 -4.613 245 HG21 ILE 714 HG21 ILE 714 30.253 14.274 -4.585 246 HG22 ILE 714 HG22 ILE 714 31.095 13.779 -6.053 247 HG23 ILE 714 HG23 ILE 714 31.742 15.090 -5.066 248 HD11 ILE 714 HD11 ILE 714 32.045 10.347 -5.523 249 HD12 ILE 714 HD12 ILE 714 32.310 11.288 -6.992 250 HD13 ILE 714 HD13 ILE 714 30.967 11.685 -5.919 251 H TRP 715 HN TRP 715 31.377 13.440 -1.309 252 HA TRP 715 HA TRP 715 29.950 15.890 -1.280 253 HB2 TRP 715 HB2 TRP 715 29.191 13.672 -0.314 254 HB3 TRP 715 HB1 TRP 715 30.308 13.956 1.016 255 HD1 TRP 715 HD1 TRP 715 29.269 15.116 3.012 256 HE1 TRP 715 HE1 TRP 715 27.270 16.698 3.398 257 HE3 TRP 715 HE3 TRP 715 27.663 15.705 -1.803 258 HZ2 TRP 715 HZ2 TRP 715 25.256 18.038 1.868 259 HZ3 TRP 715 HZ3 TRP 715 25.705 17.137 -2.310 260 HH2 TRP 715 HH2 TRP 715 24.499 18.304 -0.482 261 H ALA 716 HN ALA 716 32.612 14.593 0.666 262 HA ALA 716 HA ALA 716 32.936 16.808 2.363 263 HB1 ALA 716 HB1 ALA 716 34.938 14.753 1.399 264 HB2 ALA 716 HB2 ALA 716 34.004 14.708 2.896 265 HB3 ALA 716 HB3 ALA 716 35.258 15.928 2.676 266 H LEU 717 HN LEU 717 34.232 16.075 -0.838 267 HA LEU 717 HA LEU 717 36.051 18.201 -1.012 268 HB2 LEU 717 HB2 LEU 717 36.050 16.255 -2.545 269 HB3 LEU 717 HB1 LEU 717 34.507 16.782 -3.204 270 HG LEU 717 HG LEU 717 35.553 18.894 -3.956 271 HD11 LEU 717 HD11 LEU 717 37.346 19.379 -2.555 272 HD12 LEU 717 HD12 LEU 717 38.199 18.695 -3.936 273 HD13 LEU 717 HD13 LEU 717 37.895 17.702 -2.511 274 HD21 LEU 717 HD21 LEU 717 37.167 17.790 -5.620 275 HD22 LEU 717 HD22 LEU 717 35.510 17.187 -5.599 276 HD23 LEU 717 HD23 LEU 717 36.791 16.274 -4.800 277 H LEU 718 HN LEU 718 32.620 17.850 -1.922 278 HA LEU 718 HA LEU 718 32.335 20.464 -3.010 279 HB2 LEU 718 HB2 LEU 718 30.326 18.539 -1.818 280 HB3 LEU 718 HB1 LEU 718 29.869 20.073 -2.555 281 HG LEU 718 HG LEU 718 31.502 17.951 -3.971 282 HD11 LEU 718 HD11 LEU 718 29.303 17.549 -5.205 283 HD12 LEU 718 HD12 LEU 718 28.517 18.432 -3.895 284 HD13 LEU 718 HD13 LEU 718 29.386 16.936 -3.553 285 HD21 LEU 718 HD21 LEU 718 30.659 20.670 -4.612 286 HD22 LEU 718 HD22 LEU 718 30.073 19.510 -5.804 287 HD23 LEU 718 HD23 LEU 718 31.798 19.622 -5.456 288 H ILE 719 HN ILE 719 31.808 19.084 0.227 289 HA ILE 719 HA ILE 719 30.920 21.479 1.479 290 HB ILE 719 HB ILE 719 32.281 19.038 2.622 291 HG12 ILE 719 HG12 ILE 719 29.400 19.905 2.829 292 HG13 ILE 719 HG11 ILE 719 29.968 18.831 1.554 293 HG21 ILE 719 HG21 ILE 719 30.992 20.124 4.715 294 HG22 ILE 719 HG22 ILE 719 31.342 21.598 3.819 295 HG23 ILE 719 HG23 ILE 719 32.661 20.551 4.330 296 HD11 ILE 719 HD11 ILE 719 29.020 17.789 3.754 297 HD12 ILE 719 HD12 ILE 719 30.584 18.225 4.439 298 HD13 ILE 719 HD13 ILE 719 30.501 17.115 3.070 299 H THR 720 HN THR 720 33.994 19.870 0.956 300 HA THR 720 HA THR 720 35.473 21.895 2.495 301 HB THR 720 HB THR 720 36.575 20.007 0.343 302 HG1 THR 720 HG1 THR 720 35.651 19.530 2.712 303 HG21 THR 720 HG21 THR 720 38.049 21.899 0.675 304 HG22 THR 720 HG22 THR 720 38.746 20.520 1.513 305 HG23 THR 720 HG23 THR 720 37.897 21.775 2.424 306 H ILE 721 HN ILE 721 34.638 21.462 -0.933 307 HA ILE 721 HA ILE 721 36.144 23.751 -1.859 308 HB ILE 721 HB ILE 721 33.750 22.314 -3.002 309 HG12 ILE 721 HG12 ILE 721 36.247 21.432 -2.878 310 HG13 ILE 721 HG11 ILE 721 35.296 21.202 -4.341 311 HG21 ILE 721 HG21 ILE 721 34.453 23.647 -5.120 312 HG22 ILE 721 HG22 ILE 721 35.201 24.772 -3.984 313 HG23 ILE 721 HG23 ILE 721 33.465 24.468 -3.914 314 HD11 ILE 721 HD11 ILE 721 37.040 23.640 -3.969 315 HD12 ILE 721 HD12 ILE 721 36.398 22.969 -5.465 316 HD13 ILE 721 HD13 ILE 721 37.685 22.128 -4.600 317 H HIS 722 HN HIS 722 32.788 23.377 -0.812 318 HA HIS 722 HA HIS 722 31.959 26.044 -1.302 319 HB2 HIS 722 HB2 HIS 722 30.947 23.894 0.561 320 HB3 HIS 722 HB1 HIS 722 30.221 25.499 0.517 321 HD1 HIS 722 HD1 HIS 722 30.329 22.279 -1.310 322 HD2 HIS 722 HD2 HIS 722 29.072 26.178 -2.084 323 HE1 HIS 722 HE1 HIS 722 28.887 22.162 -3.384 324 H ASP 723 HN ASP 723 33.421 24.482 1.529 325 HA ASP 723 HA ASP 723 33.235 26.768 3.230 326 HB2 ASP 723 HB2 ASP 723 33.560 24.502 4.115 327 HB3 ASP 723 HB1 ASP 723 35.144 24.424 3.341 328 H ARG 724 HN ARG 724 35.730 25.507 1.049 329 HA ARG 724 HA ARG 724 37.757 27.365 1.701 330 HB2 ARG 724 HB2 ARG 724 38.141 25.281 0.412 331 HB3 ARG 724 HB1 ARG 724 37.253 25.978 -0.944 332 HG2 ARG 724 HG2 ARG 724 38.892 27.826 -1.068 333 HG3 ARG 724 HG1 ARG 724 39.783 27.116 0.281 334 HD2 ARG 724 HD2 ARG 724 40.053 25.028 -1.076 335 HD3 ARG 724 HD1 ARG 724 39.304 25.862 -2.434 336 HE ARG 724 HE ARG 724 41.981 26.322 -1.374 337 HH11 ARG 724 HH21 ARG 724 39.351 27.400 -3.351 338 HH12 ARG 724 HH22 ARG 724 40.335 28.429 -4.338 339 HH21 ARG 724 HH11 ARG 724 43.274 27.674 -2.656 340 HH22 ARG 724 HH12 ARG 724 42.558 28.585 -3.943 341 H LYS 725 HN LYS 725 35.179 27.418 -0.732 342 HA LYS 725 HA LYS 725 35.949 29.926 -1.871 343 HB2 LYS 725 HB2 LYS 725 34.564 28.212 -3.046 344 HB3 LYS 725 HB1 LYS 725 33.241 28.581 -1.941 345 HG2 LYS 725 HG2 LYS 725 33.223 30.914 -2.696 346 HG3 LYS 725 HG1 LYS 725 34.596 30.597 -3.757 347 HD2 LYS 725 HD2 LYS 725 33.250 28.946 -5.008 348 HD3 LYS 725 HD1 LYS 725 31.872 29.278 -3.959 349 HE2 LYS 725 HE2 LYS 725 31.870 31.630 -4.691 350 HE3 LYS 725 HE1 LYS 725 33.261 31.318 -5.724 351 HZ1 LYS 725 HZ1 LYS 725 30.625 31.043 -6.414 352 HZ2 LYS 725 HZ2 LYS 725 31.163 29.447 -6.185 353 HZ3 LYS 725 HZ3 LYS 725 31.960 30.466 -7.285 354 H GLU 726 HN GLU 726 35.341 31.969 -1.340 355 HA GLU 726 HA GLU 726 34.401 32.514 1.272 356 HB2 GLU 726 HB2 GLU 726 34.658 34.278 -1.172 357 HB3 GLU 726 HB1 GLU 726 34.242 34.877 0.435 358 HG2 GLU 726 HG2 GLU 726 36.335 34.007 1.341 359 HG3 GLU 726 HG1 GLU 726 36.746 33.302 -0.222 360 H PHE 727 HN PHE 727 32.787 32.493 -1.882 361 HA PHE 727 HA PHE 727 30.207 32.332 -0.515 362 HB2 PHE 727 HB2 PHE 727 30.496 34.739 -0.854 363 HB3 PHE 727 HB1 PHE 727 30.831 34.474 -2.565 364 HD1 PHE 727 HD2 PHE 727 28.236 33.745 0.042 365 HD2 PHE 727 HD1 PHE 727 29.060 34.514 -4.104 366 HE1 PHE 727 HE2 PHE 727 25.803 33.771 -0.439 367 HE2 PHE 727 HE1 PHE 727 26.628 34.540 -4.582 368 HZ PHE 727 HZ PHE 727 25.000 34.168 -2.751 Start of MODEL 11 1 H2 PRO 685 HT1 PRO 685 61.259 -9.083 -5.679 2 H3 PRO 685 HT2 PRO 685 62.072 -7.730 -6.312 3 HA PRO 685 HA PRO 685 60.152 -6.878 -6.949 4 HB2 PRO 685 HB2 PRO 685 59.157 -9.138 -8.525 5 HB3 PRO 685 HB1 PRO 685 59.680 -7.531 -9.071 6 HG2 PRO 685 HG2 PRO 685 61.096 -9.805 -9.519 7 HG3 PRO 685 HG1 PRO 685 61.822 -8.195 -9.401 8 HD2 PRO 685 HD2 PRO 685 61.820 -10.413 -7.392 9 HD3 PRO 685 HD1 PRO 685 63.053 -9.173 -7.702 10 H GLU 686 HN GLU 686 57.646 -7.497 -7.243 11 HA GLU 686 HA GLU 686 56.913 -9.105 -4.868 12 HB2 GLU 686 HB2 GLU 686 56.440 -6.681 -4.657 13 HB3 GLU 686 HB1 GLU 686 55.429 -6.771 -6.100 14 HG2 GLU 686 HG2 GLU 686 53.949 -8.384 -4.990 15 HG3 GLU 686 HG1 GLU 686 54.975 -8.359 -3.557 16 H SER 687 HN SER 687 55.749 -10.879 -5.229 17 HA SER 687 HA SER 687 53.613 -11.074 -7.061 18 HB2 SER 687 HB2 SER 687 54.746 -12.775 -8.603 19 HB3 SER 687 HB1 SER 687 55.147 -11.079 -8.862 20 HG SER 687 HG SER 687 56.696 -13.169 -7.925 21 HA PRO 688 HA PRO 688 54.046 -14.242 -3.657 22 HB2 PRO 688 HB2 PRO 688 51.188 -13.562 -3.312 23 HB3 PRO 688 HB1 PRO 688 52.485 -13.623 -2.105 24 HG2 PRO 688 HG2 PRO 688 51.428 -11.312 -2.963 25 HG3 PRO 688 HG1 PRO 688 53.128 -11.466 -2.487 26 HD2 PRO 688 HD2 PRO 688 51.947 -11.301 -5.235 27 HD3 PRO 688 HD1 PRO 688 53.488 -10.656 -4.627 28 H LYS 689 HN LYS 689 53.366 -16.371 -3.757 29 HA LYS 689 HA LYS 689 51.640 -17.082 -6.053 30 HB2 LYS 689 HB2 LYS 689 53.843 -18.646 -4.688 31 HB3 LYS 689 HB1 LYS 689 52.805 -19.286 -5.963 32 HG2 LYS 689 HG2 LYS 689 53.573 -17.523 -7.496 33 HG3 LYS 689 HG1 LYS 689 54.592 -16.848 -6.223 34 HD2 LYS 689 HD2 LYS 689 55.817 -19.014 -6.099 35 HD3 LYS 689 HD1 LYS 689 54.849 -19.610 -7.447 36 HE2 LYS 689 HE2 LYS 689 56.649 -17.170 -7.527 37 HE3 LYS 689 HE1 LYS 689 57.029 -18.743 -8.228 38 HZ1 LYS 689 HZ1 LYS 689 54.631 -18.268 -9.292 39 HZ2 LYS 689 HZ2 LYS 689 56.095 -17.849 -10.044 40 HZ3 LYS 689 HZ3 LYS 689 55.222 -16.683 -9.169 41 H GLY 690 HN GLY 690 50.006 -18.594 -5.784 42 HA2 GLY 690 HA2 GLY 690 49.306 -20.381 -3.985 43 HA3 GLY 690 HA1 GLY 690 49.089 -18.923 -3.020 44 HA PRO 691 HA PRO 691 45.056 -19.833 -5.157 45 HB2 PRO 691 HB2 PRO 691 44.009 -18.597 -2.681 46 HB3 PRO 691 HB1 PRO 691 43.574 -20.138 -3.441 47 HG2 PRO 691 HG2 PRO 691 44.997 -20.007 -1.172 48 HG3 PRO 691 HG1 PRO 691 45.232 -21.289 -2.372 49 HD2 PRO 691 HD2 PRO 691 46.937 -18.890 -1.820 50 HD3 PRO 691 HD1 PRO 691 47.417 -20.527 -2.326 51 H ASP 692 HN ASP 692 43.758 -18.358 -6.243 52 HA ASP 692 HA ASP 692 44.600 -15.543 -6.038 53 HB2 ASP 692 HB2 ASP 692 43.454 -15.298 -8.237 54 HB3 ASP 692 HB1 ASP 692 44.758 -16.483 -8.266 55 H ILE 693 HN ILE 693 42.240 -17.506 -4.846 56 HA ILE 693 HA ILE 693 39.871 -15.993 -5.193 57 HB ILE 693 HB ILE 693 40.704 -17.979 -3.068 58 HG12 ILE 693 HG12 ILE 693 38.730 -18.253 -5.352 59 HG13 ILE 693 HG11 ILE 693 40.423 -18.729 -5.484 60 HG21 ILE 693 HG21 ILE 693 38.100 -16.520 -3.551 61 HG22 ILE 693 HG22 ILE 693 39.013 -16.650 -2.048 62 HG23 ILE 693 HG23 ILE 693 38.164 -18.057 -2.689 63 HD11 ILE 693 HD11 ILE 693 40.107 -20.607 -4.252 64 HD12 ILE 693 HD12 ILE 693 38.392 -20.360 -4.578 65 HD13 ILE 693 HD13 ILE 693 39.099 -19.768 -3.075 66 H LEU 694 HN LEU 694 42.366 -16.105 -2.722 67 HA LEU 694 HA LEU 694 41.219 -14.234 -0.946 68 HB2 LEU 694 HB2 LEU 694 43.999 -15.277 -1.412 69 HB3 LEU 694 HB1 LEU 694 43.733 -13.934 -0.300 70 HG LEU 694 HG LEU 694 42.090 -15.298 0.949 71 HD11 LEU 694 HD11 LEU 694 42.259 -17.847 0.337 72 HD12 LEU 694 HD12 LEU 694 42.732 -17.244 -1.251 73 HD13 LEU 694 HD13 LEU 694 41.163 -16.809 -0.575 74 HD21 LEU 694 HD21 LEU 694 44.582 -16.965 0.626 75 HD22 LEU 694 HD22 LEU 694 43.687 -16.597 2.100 76 HD23 LEU 694 HD23 LEU 694 44.666 -15.350 1.329 77 H VAL 695 HN VAL 695 43.375 -13.942 -3.730 78 HA VAL 695 HA VAL 695 43.975 -11.191 -3.443 79 HB VAL 695 HB VAL 695 43.876 -12.982 -5.881 80 HG11 VAL 695 HG11 VAL 695 44.597 -10.083 -5.537 81 HG12 VAL 695 HG12 VAL 695 43.688 -10.854 -6.836 82 HG13 VAL 695 HG13 VAL 695 45.437 -11.056 -6.744 83 HG21 VAL 695 HG21 VAL 695 45.599 -13.052 -3.780 84 HG22 VAL 695 HG22 VAL 695 46.399 -11.853 -4.797 85 HG23 VAL 695 HG23 VAL 695 46.069 -13.466 -5.429 86 H VAL 696 HN VAL 696 41.482 -12.935 -5.218 87 HA VAL 696 HA VAL 696 40.210 -10.670 -6.335 88 HB VAL 696 HB VAL 696 39.176 -13.439 -5.679 89 HG11 VAL 696 HG11 VAL 696 37.393 -12.728 -7.410 90 HG12 VAL 696 HG12 VAL 696 37.895 -11.075 -7.053 91 HG13 VAL 696 HG13 VAL 696 37.231 -12.091 -5.773 92 HG21 VAL 696 HG21 VAL 696 39.771 -14.016 -7.841 93 HG22 VAL 696 HG22 VAL 696 41.027 -12.824 -7.505 94 HG23 VAL 696 HG23 VAL 696 39.603 -12.365 -8.439 95 H LEU 697 HN LEU 697 39.724 -12.529 -3.340 96 HA LEU 697 HA LEU 697 37.429 -11.152 -2.470 97 HB2 LEU 697 HB2 LEU 697 38.133 -13.286 -1.510 98 HB3 LEU 697 HB1 LEU 697 39.586 -12.535 -0.860 99 HG LEU 697 HG LEU 697 38.228 -11.087 0.584 100 HD11 LEU 697 HD11 LEU 697 35.695 -11.836 0.661 101 HD12 LEU 697 HD12 LEU 697 36.001 -12.315 -1.008 102 HD13 LEU 697 HD13 LEU 697 36.226 -10.636 -0.518 103 HD21 LEU 697 HD21 LEU 697 38.291 -12.774 2.068 104 HD22 LEU 697 HD22 LEU 697 38.393 -13.934 0.743 105 HD23 LEU 697 HD23 LEU 697 36.818 -13.448 1.370 106 H LEU 698 HN LEU 698 40.872 -10.500 -1.825 107 HA LEU 698 HA LEU 698 40.417 -8.365 -0.016 108 HB2 LEU 698 HB2 LEU 698 42.778 -9.293 -1.603 109 HB3 LEU 698 HB1 LEU 698 42.814 -7.671 -0.922 110 HG LEU 698 HG LEU 698 42.265 -8.686 1.328 111 HD11 LEU 698 HD11 LEU 698 43.102 -11.320 0.132 112 HD12 LEU 698 HD12 LEU 698 41.401 -10.874 0.227 113 HD13 LEU 698 HD13 LEU 698 42.356 -11.008 1.696 114 HD21 LEU 698 HD21 LEU 698 44.785 -9.538 -0.116 115 HD22 LEU 698 HD22 LEU 698 44.575 -9.644 1.632 116 HD23 LEU 698 HD23 LEU 698 44.543 -8.072 0.833 117 H SER 699 HN SER 699 40.923 -8.529 -3.498 118 HA SER 699 HA SER 699 40.902 -5.757 -3.994 119 HB2 SER 699 HB2 SER 699 40.369 -6.433 -6.315 120 HB3 SER 699 HB1 SER 699 41.690 -7.384 -5.641 121 HG SER 699 HG SER 699 39.987 -8.925 -5.033 122 H VAL 700 HN VAL 700 38.370 -8.158 -3.595 123 HA VAL 700 HA VAL 700 36.206 -6.556 -4.535 124 HB VAL 700 HB VAL 700 36.287 -8.903 -2.624 125 HG11 VAL 700 HG11 VAL 700 34.016 -7.242 -3.689 126 HG12 VAL 700 HG12 VAL 700 34.277 -7.836 -2.049 127 HG13 VAL 700 HG13 VAL 700 33.773 -8.949 -3.320 128 HG21 VAL 700 HG21 VAL 700 36.233 -10.186 -4.482 129 HG22 VAL 700 HG22 VAL 700 36.612 -8.729 -5.400 130 HG23 VAL 700 HG23 VAL 700 34.932 -9.221 -5.180 131 H MET 701 HN MET 701 37.606 -7.194 -1.361 132 HA MET 701 HA MET 701 35.846 -5.603 0.150 133 HB2 MET 701 HB2 MET 701 37.397 -7.268 1.135 134 HB3 MET 701 HB1 MET 701 38.758 -6.235 0.696 135 HG2 MET 701 HG2 MET 701 37.883 -4.436 2.117 136 HG3 MET 701 HG1 MET 701 36.471 -5.414 2.511 137 HE1 MET 701 HE1 MET 701 40.125 -4.964 2.464 138 HE2 MET 701 HE2 MET 701 40.396 -6.697 2.306 139 HE3 MET 701 HE3 MET 701 40.801 -5.883 3.815 140 H GLY 702 HN GLY 702 38.861 -4.904 -1.561 141 HA2 GLY 702 HA2 GLY 702 39.205 -2.252 -0.609 142 HA3 GLY 702 HA1 GLY 702 39.883 -2.904 -2.098 143 H ALA 703 HN ALA 703 37.525 -3.566 -3.454 144 HA ALA 703 HA ALA 703 36.837 -1.094 -4.629 145 HB1 ALA 703 HB1 ALA 703 35.715 -2.356 -6.161 146 HB2 ALA 703 HB2 ALA 703 34.921 -3.334 -4.927 147 HB3 ALA 703 HB3 ALA 703 36.587 -3.682 -5.392 148 H ILE 704 HN ILE 704 35.171 -3.117 -2.222 149 HA ILE 704 HA ILE 704 32.763 -1.636 -2.167 150 HB ILE 704 HB ILE 704 34.127 -3.321 -0.051 151 HG12 ILE 704 HG12 ILE 704 31.698 -3.903 -1.766 152 HG13 ILE 704 HG11 ILE 704 33.332 -4.388 -2.219 153 HG21 ILE 704 HG21 ILE 704 31.730 -3.358 0.895 154 HG22 ILE 704 HG22 ILE 704 31.441 -1.933 -0.101 155 HG23 ILE 704 HG23 ILE 704 32.670 -1.890 1.164 156 HD11 ILE 704 HD11 ILE 704 31.811 -5.231 0.264 157 HD12 ILE 704 HD12 ILE 704 33.513 -5.593 -0.019 158 HD13 ILE 704 HD13 ILE 704 32.281 -6.257 -1.091 159 H LEU 705 HN LEU 705 35.758 -1.366 -0.267 160 HA LEU 705 HA LEU 705 34.877 0.675 1.458 161 HB2 LEU 705 HB2 LEU 705 36.902 -0.641 1.883 162 HB3 LEU 705 HB1 LEU 705 37.672 0.055 0.461 163 HG LEU 705 HG LEU 705 37.574 2.289 1.473 164 HD11 LEU 705 HD11 LEU 705 35.684 2.397 2.825 165 HD12 LEU 705 HD12 LEU 705 36.946 2.194 4.041 166 HD13 LEU 705 HD13 LEU 705 35.978 0.810 3.535 167 HD21 LEU 705 HD21 LEU 705 39.516 0.837 1.958 168 HD22 LEU 705 HD22 LEU 705 38.682 0.205 3.378 169 HD23 LEU 705 HD23 LEU 705 39.159 1.902 3.317 170 H LEU 706 HN LEU 706 36.519 0.834 -1.707 171 HA LEU 706 HA LEU 706 36.871 3.633 -1.778 172 HB2 LEU 706 HB2 LEU 706 36.623 1.590 -3.988 173 HB3 LEU 706 HB1 LEU 706 37.024 3.282 -4.271 174 HG LEU 706 HG LEU 706 38.581 1.467 -2.402 175 HD11 LEU 706 HD11 LEU 706 39.055 2.236 -5.291 176 HD12 LEU 706 HD12 LEU 706 38.823 0.614 -4.643 177 HD13 LEU 706 HD13 LEU 706 40.291 1.513 -4.260 178 HD21 LEU 706 HD21 LEU 706 39.395 3.475 -1.719 179 HD22 LEU 706 HD22 LEU 706 38.691 4.335 -3.087 180 HD23 LEU 706 HD23 LEU 706 40.235 3.502 -3.268 181 H ILE 707 HN ILE 707 34.205 1.615 -2.890 182 HA ILE 707 HA ILE 707 32.715 3.650 -4.149 183 HB ILE 707 HB ILE 707 31.858 1.009 -2.951 184 HG12 ILE 707 HG12 ILE 707 32.171 1.848 -5.864 185 HG13 ILE 707 HG11 ILE 707 33.465 1.086 -4.944 186 HG21 ILE 707 HG21 ILE 707 29.830 2.142 -3.018 187 HG22 ILE 707 HG22 ILE 707 29.898 1.536 -4.671 188 HG23 ILE 707 HG23 ILE 707 30.340 3.208 -4.327 189 HD11 ILE 707 HD11 ILE 707 32.030 -0.510 -6.307 190 HD12 ILE 707 HD12 ILE 707 30.712 -0.140 -5.196 191 HD13 ILE 707 HD13 ILE 707 32.182 -0.907 -4.595 192 H GLY 708 HN GLY 708 32.752 2.511 -0.765 193 HA2 GLY 708 HA2 GLY 708 30.511 4.044 -0.009 194 HA3 GLY 708 HA1 GLY 708 31.670 3.300 1.095 195 H LEU 709 HN LEU 709 33.998 4.533 0.139 196 HA LEU 709 HA LEU 709 33.969 7.026 1.487 197 HB2 LEU 709 HB2 LEU 709 36.029 5.651 -0.250 198 HB3 LEU 709 HB1 LEU 709 36.331 7.173 0.582 199 HG LEU 709 HG LEU 709 35.455 4.612 1.957 200 HD11 LEU 709 HD11 LEU 709 38.200 5.885 1.975 201 HD12 LEU 709 HD12 LEU 709 37.762 4.552 0.908 202 HD13 LEU 709 HD13 LEU 709 37.737 4.325 2.658 203 HD21 LEU 709 HD21 LEU 709 34.882 6.214 3.507 204 HD22 LEU 709 HD22 LEU 709 36.000 7.406 2.851 205 HD23 LEU 709 HD23 LEU 709 36.602 6.111 3.883 206 H ALA 710 HN ALA 710 33.915 6.007 -1.886 207 HA ALA 710 HA ALA 710 34.562 8.165 -3.336 208 HB1 ALA 710 HB1 ALA 710 32.202 7.527 -4.577 209 HB2 ALA 710 HB2 ALA 710 32.545 6.067 -3.648 210 HB3 ALA 710 HB3 ALA 710 33.732 6.679 -4.796 211 HA PRO 711 HA PRO 711 30.416 10.531 -2.841 212 HB2 PRO 711 HB2 PRO 711 28.801 9.750 -0.741 213 HB3 PRO 711 HB1 PRO 711 28.586 9.229 -2.423 214 HG2 PRO 711 HG2 PRO 711 29.889 7.807 -0.153 215 HG3 PRO 711 HG1 PRO 711 28.829 7.173 -1.425 216 HD2 PRO 711 HD2 PRO 711 31.501 6.823 -1.530 217 HD3 PRO 711 HD1 PRO 711 30.541 7.080 -2.999 218 H LEU 712 HN LEU 712 32.003 9.296 0.086 219 HA LEU 712 HA LEU 712 31.514 11.584 1.693 220 HB2 LEU 712 HB2 LEU 712 33.658 9.456 1.813 221 HB3 LEU 712 HB1 LEU 712 33.498 10.731 3.013 222 HG LEU 712 HG LEU 712 31.265 8.820 2.266 223 HD11 LEU 712 HD11 LEU 712 32.482 7.297 3.415 224 HD12 LEU 712 HD12 LEU 712 32.022 8.220 4.845 225 HD13 LEU 712 HD13 LEU 712 33.572 8.523 4.059 226 HD21 LEU 712 HD21 LEU 712 30.048 10.381 3.378 227 HD22 LEU 712 HD22 LEU 712 31.485 11.189 4.000 228 HD23 LEU 712 HD23 LEU 712 30.839 9.776 4.831 229 H LEU 713 HN LEU 713 34.186 10.599 -0.459 230 HA LEU 713 HA LEU 713 35.767 12.902 0.012 231 HB2 LEU 713 HB2 LEU 713 35.685 10.828 -2.150 232 HB3 LEU 713 HB1 LEU 713 36.644 12.289 -2.384 233 HG LEU 713 HG LEU 713 37.820 11.833 -0.239 234 HD11 LEU 713 HD11 LEU 713 37.541 9.548 0.746 235 HD12 LEU 713 HD12 LEU 713 36.159 9.310 -0.317 236 HD13 LEU 713 HD13 LEU 713 36.108 10.560 0.923 237 HD21 LEU 713 HD21 LEU 713 38.572 10.949 -2.523 238 HD22 LEU 713 HD22 LEU 713 37.916 9.391 -2.019 239 HD23 LEU 713 HD23 LEU 713 39.238 10.126 -1.112 240 H ILE 714 HN ILE 714 33.277 12.129 -2.396 241 HA ILE 714 HA ILE 714 33.524 14.536 -3.866 242 HB ILE 714 HB ILE 714 31.179 12.661 -3.475 243 HG12 ILE 714 HG12 ILE 714 32.995 13.064 -5.867 244 HG13 ILE 714 HG11 ILE 714 33.292 11.842 -4.631 245 HG21 ILE 714 HG21 ILE 714 31.430 15.261 -4.862 246 HG22 ILE 714 HG22 ILE 714 29.986 14.423 -4.295 247 HG23 ILE 714 HG23 ILE 714 30.724 13.968 -5.830 248 HD11 ILE 714 HD11 ILE 714 32.055 10.885 -6.544 249 HD12 ILE 714 HD12 ILE 714 30.770 12.069 -6.302 250 HD13 ILE 714 HD13 ILE 714 31.082 10.844 -5.073 251 H TRP 715 HN TRP 715 31.441 13.595 -1.118 252 HA TRP 715 HA TRP 715 30.108 16.091 -0.934 253 HB2 TRP 715 HB2 TRP 715 29.222 14.064 0.127 254 HB3 TRP 715 HB1 TRP 715 30.632 13.986 1.183 255 HD1 TRP 715 HD1 TRP 715 27.471 16.032 0.541 256 HE1 TRP 715 HE1 TRP 715 26.990 17.488 2.613 257 HE3 TRP 715 HE3 TRP 715 31.702 15.129 3.252 258 HZ2 TRP 715 HZ2 TRP 715 28.237 18.177 5.094 259 HZ3 TRP 715 HZ3 TRP 715 32.030 16.195 5.464 260 HH2 TRP 715 HH2 TRP 715 30.304 17.717 6.389 261 H ALA 716 HN ALA 716 32.932 14.690 0.689 262 HA ALA 716 HA ALA 716 33.516 16.806 2.413 263 HB1 ALA 716 HB1 ALA 716 35.505 14.990 1.037 264 HB2 ALA 716 HB2 ALA 716 34.599 14.568 2.490 265 HB3 ALA 716 HB3 ALA 716 35.763 15.893 2.530 266 H LEU 717 HN LEU 717 34.683 16.219 -0.911 267 HA LEU 717 HA LEU 717 36.268 18.540 -1.053 268 HB2 LEU 717 HB2 LEU 717 34.990 16.832 -3.182 269 HB3 LEU 717 HB1 LEU 717 36.034 18.200 -3.557 270 HG LEU 717 HG LEU 717 36.856 15.906 -1.751 271 HD11 LEU 717 HD11 LEU 717 38.199 15.128 -3.695 272 HD12 LEU 717 HD12 LEU 717 37.420 16.357 -4.693 273 HD13 LEU 717 HD13 LEU 717 36.464 15.047 -4.003 274 HD21 LEU 717 HD21 LEU 717 38.381 17.549 -1.233 275 HD22 LEU 717 HD22 LEU 717 38.162 18.393 -2.765 276 HD23 LEU 717 HD23 LEU 717 39.153 16.938 -2.694 277 H LEU 718 HN LEU 718 32.881 17.900 -2.002 278 HA LEU 718 HA LEU 718 32.442 20.483 -3.085 279 HB2 LEU 718 HB2 LEU 718 30.557 18.406 -1.977 280 HB3 LEU 718 HB1 LEU 718 30.000 19.920 -2.684 281 HG LEU 718 HG LEU 718 31.828 17.968 -4.117 282 HD11 LEU 718 HD11 LEU 718 28.817 18.281 -4.228 283 HD12 LEU 718 HD12 LEU 718 29.719 16.847 -3.736 284 HD13 LEU 718 HD13 LEU 718 29.757 17.380 -5.417 285 HD21 LEU 718 HD21 LEU 718 30.584 19.353 -6.059 286 HD22 LEU 718 HD22 LEU 718 32.087 19.907 -5.327 287 HD23 LEU 718 HD23 LEU 718 30.547 20.580 -4.795 288 H ILE 719 HN ILE 719 31.864 19.142 0.180 289 HA ILE 719 HA ILE 719 30.803 21.605 1.159 290 HB ILE 719 HB ILE 719 30.562 19.143 2.137 291 HG12 ILE 719 HG12 ILE 719 30.101 20.225 4.391 292 HG13 ILE 719 HG11 ILE 719 30.759 21.718 3.726 293 HG21 ILE 719 HG21 ILE 719 32.778 20.252 3.871 294 HG22 ILE 719 HG22 ILE 719 33.059 19.059 2.610 295 HG23 ILE 719 HG23 ILE 719 32.016 18.667 3.965 296 HD11 ILE 719 HD11 ILE 719 28.106 20.759 3.493 297 HD12 ILE 719 HD12 ILE 719 28.818 20.619 1.887 298 HD13 ILE 719 HD13 ILE 719 28.804 22.176 2.712 299 H THR 720 HN THR 720 33.953 20.003 1.196 300 HA THR 720 HA THR 720 35.277 21.968 2.775 301 HB THR 720 HB THR 720 36.391 20.136 0.636 302 HG1 THR 720 HG1 THR 720 36.147 18.691 2.117 303 HG21 THR 720 HG21 THR 720 37.616 22.062 2.563 304 HG22 THR 720 HG22 THR 720 38.107 21.657 0.918 305 HG23 THR 720 HG23 THR 720 38.462 20.548 2.243 306 H ILE 721 HN ILE 721 34.806 21.530 -0.723 307 HA ILE 721 HA ILE 721 36.294 23.849 -1.481 308 HB ILE 721 HB ILE 721 34.114 22.324 -2.902 309 HG12 ILE 721 HG12 ILE 721 36.614 21.512 -2.399 310 HG13 ILE 721 HG11 ILE 721 35.842 21.177 -3.948 311 HG21 ILE 721 HG21 ILE 721 33.944 24.483 -3.840 312 HG22 ILE 721 HG22 ILE 721 35.040 23.632 -4.926 313 HG23 ILE 721 HG23 ILE 721 35.682 24.764 -3.734 314 HD11 ILE 721 HD11 ILE 721 37.014 22.936 -5.025 315 HD12 ILE 721 HD12 ILE 721 38.221 22.178 -3.988 316 HD13 ILE 721 HD13 ILE 721 37.461 23.689 -3.494 317 H HIS 722 HN HIS 722 32.855 23.353 -0.814 318 HA HIS 722 HA HIS 722 31.961 25.932 -1.502 319 HB2 HIS 722 HB2 HIS 722 30.927 23.693 0.152 320 HB3 HIS 722 HB1 HIS 722 30.227 25.282 0.444 321 HD1 HIS 722 HD1 HIS 722 30.681 22.710 -2.283 322 HD2 HIS 722 HD2 HIS 722 28.580 26.251 -1.631 323 HE1 HIS 722 HE1 HIS 722 29.064 22.949 -4.218 324 H ASP 723 HN ASP 723 33.325 24.629 1.485 325 HA ASP 723 HA ASP 723 32.915 27.057 2.991 326 HB2 ASP 723 HB2 ASP 723 34.519 24.550 3.514 327 HB3 ASP 723 HB1 ASP 723 34.445 25.902 4.642 328 H ARG 724 HN ARG 724 34.411 28.625 3.493 329 HA ARG 724 HA ARG 724 37.082 28.425 2.279 330 HB2 ARG 724 HB2 ARG 724 36.904 30.682 1.353 331 HB3 ARG 724 HB1 ARG 724 35.648 29.646 0.679 332 HG2 ARG 724 HG2 ARG 724 34.027 30.552 2.318 333 HG3 ARG 724 HG1 ARG 724 35.280 31.609 2.967 334 HD2 ARG 724 HD2 ARG 724 35.531 32.664 0.743 335 HD3 ARG 724 HD1 ARG 724 34.247 31.632 0.119 336 HE ARG 724 HE ARG 724 33.434 33.143 2.432 337 HH11 ARG 724 HH21 ARG 724 33.920 33.184 -0.993 338 HH12 ARG 724 HH22 ARG 724 32.758 34.435 -1.283 339 HH21 ARG 724 HH11 ARG 724 31.908 34.784 2.062 340 HH22 ARG 724 HH12 ARG 724 31.619 35.341 0.447 341 H LYS 725 HN LYS 725 38.666 29.764 3.248 342 HA LYS 725 HA LYS 725 37.875 30.959 5.838 343 HB2 LYS 725 HB2 LYS 725 40.294 29.246 5.229 344 HB3 LYS 725 HB1 LYS 725 40.075 30.161 6.722 345 HG2 LYS 725 HG2 LYS 725 37.983 28.930 7.173 346 HG3 LYS 725 HG1 LYS 725 38.204 28.011 5.684 347 HD2 LYS 725 HD2 LYS 725 40.313 27.090 6.537 348 HD3 LYS 725 HD1 LYS 725 40.149 28.045 8.011 349 HE2 LYS 725 HE2 LYS 725 39.378 25.757 8.420 350 HE3 LYS 725 HE1 LYS 725 38.014 26.871 8.508 351 HZ1 LYS 725 HZ1 LYS 725 38.357 26.033 5.847 352 HZ2 LYS 725 HZ2 LYS 725 37.030 25.779 6.875 353 HZ3 LYS 725 HZ3 LYS 725 38.308 24.661 6.843 354 H GLU 726 HN GLU 726 38.924 32.828 6.438 355 HA GLU 726 HA GLU 726 40.676 34.048 4.385 356 HB2 GLU 726 HB2 GLU 726 38.641 35.323 6.224 357 HB3 GLU 726 HB1 GLU 726 39.800 36.236 5.256 358 HG2 GLU 726 HG2 GLU 726 38.903 35.260 3.202 359 HG3 GLU 726 HG1 GLU 726 37.794 34.258 4.137 360 H PHE 727 HN PHE 727 42.672 34.566 5.013 361 HA PHE 727 HA PHE 727 43.273 35.490 7.667 362 HB2 PHE 727 HB2 PHE 727 44.774 33.670 8.305 363 HB3 PHE 727 HB1 PHE 727 43.138 33.052 8.073 364 HD1 PHE 727 HD2 PHE 727 42.569 31.665 6.142 365 HD2 PHE 727 HD1 PHE 727 46.554 33.164 6.706 366 HE1 PHE 727 HE2 PHE 727 43.407 30.081 4.428 367 HE2 PHE 727 HE1 PHE 727 47.392 31.580 4.992 368 HZ PHE 727 HZ PHE 727 45.819 30.038 3.853 Start of MODEL 12 1 H2 PRO 685 HT1 PRO 685 55.516 -33.836 -1.682 2 H3 PRO 685 HT2 PRO 685 55.662 -34.383 -0.079 3 HA PRO 685 HA PRO 685 57.022 -32.715 0.360 4 HB2 PRO 685 HB2 PRO 685 58.998 -33.178 -1.750 5 HB3 PRO 685 HB1 PRO 685 59.168 -33.365 0.007 6 HG2 PRO 685 HG2 PRO 685 59.078 -35.454 -1.726 7 HG3 PRO 685 HG1 PRO 685 58.566 -35.549 -0.034 8 HD2 PRO 685 HD2 PRO 685 56.884 -35.407 -2.504 9 HD3 PRO 685 HD1 PRO 685 56.557 -36.225 -0.963 10 H GLU 686 HN GLU 686 55.786 -33.055 -2.798 11 HA GLU 686 HA GLU 686 56.367 -30.219 -3.421 12 HB2 GLU 686 HB2 GLU 686 57.291 -31.840 -5.052 13 HB3 GLU 686 HB1 GLU 686 55.664 -32.464 -5.328 14 HG2 GLU 686 HG2 GLU 686 54.929 -30.254 -6.111 15 HG3 GLU 686 HG1 GLU 686 56.531 -29.593 -5.789 16 H SER 687 HN SER 687 54.697 -28.862 -3.380 17 HA SER 687 HA SER 687 52.147 -29.328 -4.413 18 HB2 SER 687 HB2 SER 687 52.506 -30.130 -1.561 19 HB3 SER 687 HB1 SER 687 51.013 -29.314 -2.015 20 HG SER 687 HG SER 687 50.431 -31.204 -2.717 21 HA PRO 688 HA PRO 688 53.412 -24.998 -3.215 22 HB2 PRO 688 HB2 PRO 688 52.382 -24.459 -5.935 23 HB3 PRO 688 HB1 PRO 688 53.926 -23.990 -5.202 24 HG2 PRO 688 HG2 PRO 688 53.749 -25.887 -7.090 25 HG3 PRO 688 HG1 PRO 688 54.954 -25.942 -5.793 26 HD2 PRO 688 HD2 PRO 688 52.424 -27.518 -6.082 27 HD3 PRO 688 HD1 PRO 688 53.986 -28.007 -5.387 28 H LYS 689 HN LYS 689 52.032 -23.376 -2.532 29 HA LYS 689 HA LYS 689 49.151 -23.715 -3.118 30 HB2 LYS 689 HB2 LYS 689 50.465 -23.096 -0.464 31 HB3 LYS 689 HB1 LYS 689 48.734 -22.948 -0.766 32 HG2 LYS 689 HG2 LYS 689 48.633 -25.334 -1.387 33 HG3 LYS 689 HG1 LYS 689 50.365 -25.485 -1.083 34 HD2 LYS 689 HD2 LYS 689 50.037 -24.888 1.267 35 HD3 LYS 689 HD1 LYS 689 48.313 -24.640 0.985 36 HE2 LYS 689 HE2 LYS 689 48.679 -26.856 1.961 37 HE3 LYS 689 HE1 LYS 689 48.106 -27.021 0.301 38 HZ1 LYS 689 HZ1 LYS 689 50.915 -26.814 0.314 39 HZ2 LYS 689 HZ2 LYS 689 49.946 -28.104 -0.221 40 HZ3 LYS 689 HZ3 LYS 689 50.449 -28.032 1.400 41 H GLY 690 HN GLY 690 47.949 -21.848 -3.345 42 HA2 GLY 690 HA2 GLY 690 48.555 -19.263 -2.629 43 HA3 GLY 690 HA1 GLY 690 49.375 -19.502 -4.169 44 HA PRO 691 HA PRO 691 44.611 -20.176 -4.992 45 HB2 PRO 691 HB2 PRO 691 43.440 -18.803 -2.649 46 HB3 PRO 691 HB1 PRO 691 42.996 -20.354 -3.383 47 HG2 PRO 691 HG2 PRO 691 44.249 -20.188 -1.016 48 HG3 PRO 691 HG1 PRO 691 44.514 -21.528 -2.145 49 HD2 PRO 691 HD2 PRO 691 46.279 -19.181 -1.560 50 HD3 PRO 691 HD1 PRO 691 46.721 -20.857 -1.958 51 H ASP 692 HN ASP 692 43.468 -18.694 -6.223 52 HA ASP 692 HA ASP 692 44.421 -15.913 -6.086 53 HB2 ASP 692 HB2 ASP 692 42.923 -17.448 -8.220 54 HB3 ASP 692 HB1 ASP 692 43.277 -15.724 -8.323 55 H ILE 693 HN ILE 693 41.899 -17.780 -5.015 56 HA ILE 693 HA ILE 693 39.640 -16.113 -5.398 57 HB ILE 693 HB ILE 693 40.279 -18.207 -3.311 58 HG12 ILE 693 HG12 ILE 693 40.101 -19.061 -5.614 59 HG13 ILE 693 HG11 ILE 693 38.745 -19.612 -4.639 60 HG21 ILE 693 HG21 ILE 693 37.997 -16.353 -3.586 61 HG22 ILE 693 HG22 ILE 693 38.583 -17.223 -2.168 62 HG23 ILE 693 HG23 ILE 693 37.561 -18.045 -3.348 63 HD11 ILE 693 HD11 ILE 693 37.663 -17.341 -5.655 64 HD12 ILE 693 HD12 ILE 693 37.550 -18.899 -6.462 65 HD13 ILE 693 HD13 ILE 693 38.785 -17.742 -6.952 66 H LEU 694 HN LEU 694 42.026 -16.463 -2.850 67 HA LEU 694 HA LEU 694 40.927 -14.604 -1.035 68 HB2 LEU 694 HB2 LEU 694 43.759 -15.570 -1.477 69 HB3 LEU 694 HB1 LEU 694 43.296 -14.513 -0.145 70 HG LEU 694 HG LEU 694 42.008 -17.203 -0.700 71 HD11 LEU 694 HD11 LEU 694 44.258 -17.694 -0.109 72 HD12 LEU 694 HD12 LEU 694 43.335 -17.870 1.384 73 HD13 LEU 694 HD13 LEU 694 44.297 -16.417 1.108 74 HD21 LEU 694 HD21 LEU 694 41.510 -15.009 1.196 75 HD22 LEU 694 HD22 LEU 694 41.711 -16.573 1.980 76 HD23 LEU 694 HD23 LEU 694 40.474 -16.360 0.742 77 H VAL 695 HN VAL 695 43.188 -14.319 -3.733 78 HA VAL 695 HA VAL 695 43.906 -11.608 -3.322 79 HB VAL 695 HB VAL 695 43.835 -13.308 -5.825 80 HG11 VAL 695 HG11 VAL 695 43.819 -11.179 -6.752 81 HG12 VAL 695 HG12 VAL 695 45.550 -11.402 -6.496 82 HG13 VAL 695 HG13 VAL 695 44.604 -10.450 -5.352 83 HG21 VAL 695 HG21 VAL 695 45.898 -14.012 -5.204 84 HG22 VAL 695 HG22 VAL 695 45.497 -13.387 -3.603 85 HG23 VAL 695 HG23 VAL 695 46.397 -12.385 -4.741 86 H VAL 696 HN VAL 696 41.415 -13.178 -5.248 87 HA VAL 696 HA VAL 696 40.300 -10.831 -6.358 88 HB VAL 696 HB VAL 696 39.108 -13.561 -5.813 89 HG11 VAL 696 HG11 VAL 696 37.991 -11.087 -7.115 90 HG12 VAL 696 HG12 VAL 696 37.211 -12.189 -5.980 91 HG13 VAL 696 HG13 VAL 696 37.473 -12.685 -7.652 92 HG21 VAL 696 HG21 VAL 696 39.711 -12.447 -8.524 93 HG22 VAL 696 HG22 VAL 696 39.771 -14.117 -7.961 94 HG23 VAL 696 HG23 VAL 696 41.067 -12.997 -7.539 95 H LEU 697 HN LEU 697 39.589 -12.720 -3.424 96 HA LEU 697 HA LEU 697 37.317 -11.243 -2.643 97 HB2 LEU 697 HB2 LEU 697 39.300 -12.940 -1.159 98 HB3 LEU 697 HB1 LEU 697 38.009 -12.107 -0.300 99 HG LEU 697 HG LEU 697 37.540 -13.931 -2.679 100 HD11 LEU 697 HD11 LEU 697 38.491 -15.236 -0.852 101 HD12 LEU 697 HD12 LEU 697 36.766 -15.582 -0.978 102 HD13 LEU 697 HD13 LEU 697 37.361 -14.511 0.291 103 HD21 LEU 697 HD21 LEU 697 35.852 -12.167 -1.069 104 HD22 LEU 697 HD22 LEU 697 35.284 -13.834 -1.021 105 HD23 LEU 697 HD23 LEU 697 35.475 -13.011 -2.569 106 H LEU 698 HN LEU 698 40.755 -10.745 -1.846 107 HA LEU 698 HA LEU 698 40.304 -8.638 -0.003 108 HB2 LEU 698 HB2 LEU 698 42.690 -9.608 -1.527 109 HB3 LEU 698 HB1 LEU 698 42.756 -8.004 -0.805 110 HG LEU 698 HG LEU 698 42.089 -9.054 1.399 111 HD11 LEU 698 HD11 LEU 698 41.207 -11.190 0.201 112 HD12 LEU 698 HD12 LEU 698 42.087 -11.384 1.710 113 HD13 LEU 698 HD13 LEU 698 42.898 -11.683 0.177 114 HD21 LEU 698 HD21 LEU 698 44.635 -9.855 -0.014 115 HD22 LEU 698 HD22 LEU 698 44.372 -10.165 1.702 116 HD23 LEU 698 HD23 LEU 698 44.384 -8.508 1.098 117 H SER 699 HN SER 699 40.931 -8.729 -3.465 118 HA SER 699 HA SER 699 41.020 -5.946 -3.891 119 HB2 SER 699 HB2 SER 699 40.552 -6.551 -6.247 120 HB3 SER 699 HB1 SER 699 41.817 -7.558 -5.547 121 HG SER 699 HG SER 699 40.074 -9.073 -5.053 122 H VAL 700 HN VAL 700 38.399 -8.269 -3.637 123 HA VAL 700 HA VAL 700 36.321 -6.591 -4.633 124 HB VAL 700 HB VAL 700 36.258 -8.966 -2.759 125 HG11 VAL 700 HG11 VAL 700 34.210 -8.089 -2.223 126 HG12 VAL 700 HG12 VAL 700 33.753 -8.805 -3.770 127 HG13 VAL 700 HG13 VAL 700 34.147 -7.088 -3.675 128 HG21 VAL 700 HG21 VAL 700 36.726 -8.776 -5.498 129 HG22 VAL 700 HG22 VAL 700 35.007 -9.160 -5.394 130 HG23 VAL 700 HG23 VAL 700 36.195 -10.223 -4.641 131 H MET 701 HN MET 701 37.547 -7.301 -1.395 132 HA MET 701 HA MET 701 35.746 -5.630 -0.001 133 HB2 MET 701 HB2 MET 701 38.528 -6.582 0.730 134 HB3 MET 701 HB1 MET 701 37.438 -5.757 1.840 135 HG2 MET 701 HG2 MET 701 36.839 -8.375 0.431 136 HG3 MET 701 HG1 MET 701 37.338 -8.224 2.111 137 HE1 MET 701 HE1 MET 701 35.588 -5.644 3.257 138 HE2 MET 701 HE2 MET 701 36.242 -7.163 3.862 139 HE3 MET 701 HE3 MET 701 34.522 -6.827 4.023 140 H GLY 702 HN GLY 702 38.895 -5.088 -1.497 141 HA2 GLY 702 HA2 GLY 702 39.399 -2.500 -0.459 142 HA3 GLY 702 HA1 GLY 702 40.045 -3.155 -1.965 143 H ALA 703 HN ALA 703 37.725 -3.597 -3.409 144 HA ALA 703 HA ALA 703 37.222 -1.032 -4.484 145 HB1 ALA 703 HB1 ALA 703 36.206 -3.738 -5.003 146 HB2 ALA 703 HB2 ALA 703 36.667 -2.464 -6.132 147 HB3 ALA 703 HB3 ALA 703 35.070 -2.445 -5.379 148 H ILE 704 HN ILE 704 35.460 -2.934 -2.105 149 HA ILE 704 HA ILE 704 33.089 -1.404 -2.070 150 HB ILE 704 HB ILE 704 34.435 -3.059 0.072 151 HG12 ILE 704 HG12 ILE 704 31.962 -3.619 -1.597 152 HG13 ILE 704 HG11 ILE 704 33.578 -4.155 -2.062 153 HG21 ILE 704 HG21 ILE 704 33.041 -1.578 1.285 154 HG22 ILE 704 HG22 ILE 704 32.038 -3.008 1.040 155 HG23 ILE 704 HG23 ILE 704 31.801 -1.582 0.031 156 HD11 ILE 704 HD11 ILE 704 31.800 -5.491 -0.350 157 HD12 ILE 704 HD12 ILE 704 33.035 -4.814 0.711 158 HD13 ILE 704 HD13 ILE 704 33.500 -5.879 -0.616 159 H LEU 705 HN LEU 705 36.106 -1.067 -0.178 160 HA LEU 705 HA LEU 705 35.172 1.035 1.465 161 HB2 LEU 705 HB2 LEU 705 37.865 0.037 0.657 162 HB3 LEU 705 HB1 LEU 705 37.763 1.609 1.438 163 HG LEU 705 HG LEU 705 38.111 -0.373 2.998 164 HD11 LEU 705 HD11 LEU 705 37.297 1.060 4.516 165 HD12 LEU 705 HD12 LEU 705 35.656 0.551 4.120 166 HD13 LEU 705 HD13 LEU 705 36.391 1.901 3.259 167 HD21 LEU 705 HD21 LEU 705 36.325 -1.719 1.619 168 HD22 LEU 705 HD22 LEU 705 35.172 -0.921 2.683 169 HD23 LEU 705 HD23 LEU 705 36.434 -1.948 3.358 170 H LEU 706 HN LEU 706 36.817 1.160 -1.721 171 HA LEU 706 HA LEU 706 37.060 3.978 -1.763 172 HB2 LEU 706 HB2 LEU 706 37.206 1.847 -3.848 173 HB3 LEU 706 HB1 LEU 706 37.040 3.525 -4.367 174 HG LEU 706 HG LEU 706 39.011 4.157 -3.049 175 HD11 LEU 706 HD11 LEU 706 39.209 2.802 -1.198 176 HD12 LEU 706 HD12 LEU 706 40.354 1.980 -2.259 177 HD13 LEU 706 HD13 LEU 706 38.717 1.357 -2.075 178 HD21 LEU 706 HD21 LEU 706 39.611 1.688 -4.702 179 HD22 LEU 706 HD22 LEU 706 40.687 3.053 -4.403 180 HD23 LEU 706 HD23 LEU 706 39.245 3.268 -5.394 181 H ILE 707 HN ILE 707 34.454 1.841 -2.877 182 HA ILE 707 HA ILE 707 32.943 3.881 -4.146 183 HB ILE 707 HB ILE 707 32.113 1.255 -2.910 184 HG12 ILE 707 HG12 ILE 707 33.636 1.076 -4.846 185 HG13 ILE 707 HG11 ILE 707 32.034 0.463 -5.234 186 HG21 ILE 707 HG21 ILE 707 30.112 1.694 -4.600 187 HG22 ILE 707 HG22 ILE 707 30.512 3.380 -4.269 188 HG23 ILE 707 HG23 ILE 707 30.065 2.305 -2.944 189 HD11 ILE 707 HD11 ILE 707 33.472 2.819 -6.303 190 HD12 ILE 707 HD12 ILE 707 31.758 3.068 -5.997 191 HD13 ILE 707 HD13 ILE 707 32.280 1.783 -7.080 192 H GLY 708 HN GLY 708 33.122 2.834 -0.765 193 HA2 GLY 708 HA2 GLY 708 30.797 4.363 0.021 194 HA3 GLY 708 HA1 GLY 708 31.932 3.586 1.125 195 H LEU 709 HN LEU 709 34.295 4.785 0.251 196 HA LEU 709 HA LEU 709 34.247 7.271 1.602 197 HB2 LEU 709 HB2 LEU 709 36.299 5.630 0.209 198 HB3 LEU 709 HB1 LEU 709 36.653 7.337 0.466 199 HG LEU 709 HG LEU 709 36.172 7.050 2.891 200 HD11 LEU 709 HD11 LEU 709 34.622 5.083 2.619 201 HD12 LEU 709 HD12 LEU 709 35.860 4.849 3.846 202 HD13 LEU 709 HD13 LEU 709 36.035 4.091 2.270 203 HD21 LEU 709 HD21 LEU 709 38.469 6.871 2.231 204 HD22 LEU 709 HD22 LEU 709 38.231 5.234 1.623 205 HD23 LEU 709 HD23 LEU 709 38.169 5.546 3.358 206 H ALA 710 HN ALA 710 34.260 6.363 -1.815 207 HA ALA 710 HA ALA 710 35.002 8.787 -2.916 208 HB1 ALA 710 HB1 ALA 710 33.587 6.448 -3.884 209 HB2 ALA 710 HB2 ALA 710 34.718 7.510 -4.715 210 HB3 ALA 710 HB3 ALA 710 33.009 7.931 -4.650 211 HA PRO 711 HA PRO 711 30.391 10.409 -2.969 212 HB2 PRO 711 HB2 PRO 711 29.383 8.947 -0.577 213 HB3 PRO 711 HB1 PRO 711 28.532 9.391 -2.067 214 HG2 PRO 711 HG2 PRO 711 29.314 6.886 -1.551 215 HG3 PRO 711 HG1 PRO 711 29.265 7.552 -3.192 216 HD2 PRO 711 HD2 PRO 711 31.621 6.965 -1.484 217 HD3 PRO 711 HD1 PRO 711 31.472 7.002 -3.241 218 H LEU 712 HN LEU 712 31.816 9.344 0.130 219 HA LEU 712 HA LEU 712 31.132 11.679 1.595 220 HB2 LEU 712 HB2 LEU 712 33.274 9.584 1.990 221 HB3 LEU 712 HB1 LEU 712 32.976 10.887 3.138 222 HG LEU 712 HG LEU 712 30.857 8.923 2.212 223 HD11 LEU 712 HD11 LEU 712 32.460 7.644 3.436 224 HD12 LEU 712 HD12 LEU 712 31.156 8.003 4.569 225 HD13 LEU 712 HD13 LEU 712 32.661 8.920 4.637 226 HD21 LEU 712 HD21 LEU 712 29.981 9.850 4.578 227 HD22 LEU 712 HD22 LEU 712 29.613 10.670 3.062 228 HD23 LEU 712 HD23 LEU 712 30.924 11.254 4.085 229 H LEU 713 HN LEU 713 34.031 10.666 -0.200 230 HA LEU 713 HA LEU 713 35.551 12.987 0.371 231 HB2 LEU 713 HB2 LEU 713 35.674 10.990 -1.892 232 HB3 LEU 713 HB1 LEU 713 36.835 12.301 -1.706 233 HG LEU 713 HG LEU 713 36.240 10.255 0.453 234 HD11 LEU 713 HD11 LEU 713 38.593 9.439 -0.222 235 HD12 LEU 713 HD12 LEU 713 38.319 10.312 -1.729 236 HD13 LEU 713 HD13 LEU 713 37.247 8.990 -1.269 237 HD21 LEU 713 HD21 LEU 713 38.062 12.608 0.199 238 HD22 LEU 713 HD22 LEU 713 38.698 11.180 1.010 239 HD23 LEU 713 HD23 LEU 713 37.243 11.964 1.621 240 H ILE 714 HN ILE 714 33.375 12.111 -2.294 241 HA ILE 714 HA ILE 714 33.757 14.485 -3.794 242 HB ILE 714 HB ILE 714 31.436 12.546 -3.661 243 HG12 ILE 714 HG12 ILE 714 33.537 12.955 -5.807 244 HG13 ILE 714 HG11 ILE 714 33.707 11.773 -4.509 245 HG21 ILE 714 HG21 ILE 714 30.897 13.633 -5.927 246 HG22 ILE 714 HG22 ILE 714 31.953 14.951 -5.419 247 HG23 ILE 714 HG23 ILE 714 30.504 14.574 -4.488 248 HD11 ILE 714 HD11 ILE 714 31.107 11.662 -5.881 249 HD12 ILE 714 HD12 ILE 714 32.207 10.353 -5.446 250 HD13 ILE 714 HD13 ILE 714 32.480 11.281 -6.920 251 H TRP 715 HN TRP 715 31.367 13.542 -1.319 252 HA TRP 715 HA TRP 715 29.928 15.983 -1.372 253 HB2 TRP 715 HB2 TRP 715 29.159 13.767 -0.393 254 HB3 TRP 715 HB1 TRP 715 30.227 14.089 0.970 255 HD1 TRP 715 HD1 TRP 715 27.656 16.279 -0.947 256 HE1 TRP 715 HE1 TRP 715 26.149 17.437 0.792 257 HE3 TRP 715 HE3 TRP 715 29.626 14.351 3.352 258 HZ2 TRP 715 HZ2 TRP 715 25.816 17.531 3.630 259 HZ3 TRP 715 HZ3 TRP 715 28.692 14.989 5.558 260 HH2 TRP 715 HH2 TRP 715 26.792 16.576 5.702 261 H ALA 716 HN ALA 716 32.552 14.719 0.648 262 HA ALA 716 HA ALA 716 32.833 16.947 2.332 263 HB1 ALA 716 HB1 ALA 716 35.051 16.051 2.842 264 HB2 ALA 716 HB2 ALA 716 34.971 15.003 1.426 265 HB3 ALA 716 HB3 ALA 716 33.870 14.742 2.779 266 H LEU 717 HN LEU 717 34.211 16.168 -0.821 267 HA LEU 717 HA LEU 717 36.032 18.271 -0.994 268 HB2 LEU 717 HB2 LEU 717 36.080 16.328 -2.500 269 HB3 LEU 717 HB1 LEU 717 34.529 16.809 -3.180 270 HG LEU 717 HG LEU 717 35.526 18.906 -3.991 271 HD11 LEU 717 HD11 LEU 717 37.251 19.515 -2.560 272 HD12 LEU 717 HD12 LEU 717 38.173 18.828 -3.896 273 HD13 LEU 717 HD13 LEU 717 37.874 17.869 -2.447 274 HD21 LEU 717 HD21 LEU 717 35.677 16.632 -5.240 275 HD22 LEU 717 HD22 LEU 717 37.389 16.689 -4.820 276 HD23 LEU 717 HD23 LEU 717 36.681 17.962 -5.814 277 H LEU 718 HN LEU 718 32.638 17.926 -2.017 278 HA LEU 718 HA LEU 718 32.402 20.530 -3.110 279 HB2 LEU 718 HB2 LEU 718 30.353 18.624 -1.966 280 HB3 LEU 718 HB1 LEU 718 29.924 20.159 -2.718 281 HG LEU 718 HG LEU 718 31.578 18.015 -4.084 282 HD11 LEU 718 HD11 LEU 718 28.634 18.419 -3.848 283 HD12 LEU 718 HD12 LEU 718 29.555 16.925 -4.025 284 HD13 LEU 718 HD13 LEU 718 29.263 17.951 -5.428 285 HD21 LEU 718 HD21 LEU 718 31.989 19.734 -5.502 286 HD22 LEU 718 HD22 LEU 718 30.758 20.754 -4.761 287 HD23 LEU 718 HD23 LEU 718 30.303 19.578 -5.992 288 H ILE 719 HN ILE 719 31.788 19.191 0.114 289 HA ILE 719 HA ILE 719 30.831 21.586 1.276 290 HB ILE 719 HB ILE 719 32.165 19.170 2.512 291 HG12 ILE 719 HG12 ILE 719 29.276 20.064 2.622 292 HG13 ILE 719 HG11 ILE 719 29.878 18.947 1.401 293 HG21 ILE 719 HG21 ILE 719 32.498 20.615 4.247 294 HG22 ILE 719 HG22 ILE 719 30.777 20.351 4.528 295 HG23 ILE 719 HG23 ILE 719 31.318 21.774 3.639 296 HD11 ILE 719 HD11 ILE 719 30.593 18.320 4.215 297 HD12 ILE 719 HD12 ILE 719 30.143 17.235 2.901 298 HD13 ILE 719 HD13 ILE 719 28.897 18.121 3.779 299 H THR 720 HN THR 720 34.056 20.072 1.044 300 HA THR 720 HA THR 720 35.361 22.133 2.534 301 HB THR 720 HB THR 720 37.437 21.331 1.485 302 HG1 THR 720 HG1 THR 720 35.642 19.801 -0.082 303 HG21 THR 720 HG21 THR 720 37.243 19.772 3.097 304 HG22 THR 720 HG22 THR 720 36.579 18.697 1.868 305 HG23 THR 720 HG23 THR 720 35.499 19.665 2.871 306 H ILE 721 HN ILE 721 34.612 21.656 -0.921 307 HA ILE 721 HA ILE 721 35.974 24.030 -1.775 308 HB ILE 721 HB ILE 721 33.732 22.490 -3.071 309 HG12 ILE 721 HG12 ILE 721 36.616 22.852 -3.913 310 HG13 ILE 721 HG11 ILE 721 36.099 21.523 -2.888 311 HG21 ILE 721 HG21 ILE 721 35.155 25.014 -3.904 312 HG22 ILE 721 HG22 ILE 721 33.426 24.669 -3.922 313 HG23 ILE 721 HG23 ILE 721 34.489 23.908 -5.105 314 HD11 ILE 721 HD11 ILE 721 35.082 22.148 -5.673 315 HD12 ILE 721 HD12 ILE 721 34.448 20.864 -4.646 316 HD13 ILE 721 HD13 ILE 721 36.114 20.793 -5.222 317 H HIS 722 HN HIS 722 32.616 23.461 -0.814 318 HA HIS 722 HA HIS 722 31.693 26.083 -1.366 319 HB2 HIS 722 HB2 HIS 722 30.682 23.874 0.415 320 HB3 HIS 722 HB1 HIS 722 29.889 25.448 0.361 321 HD1 HIS 722 HD1 HIS 722 30.437 22.341 -1.640 322 HD2 HIS 722 HD2 HIS 722 28.667 26.077 -2.165 323 HE1 HIS 722 HE1 HIS 722 29.067 22.192 -3.764 324 H ASP 723 HN ASP 723 33.163 24.603 1.489 325 HA ASP 723 HA ASP 723 32.825 27.017 3.068 326 HB2 ASP 723 HB2 ASP 723 32.687 24.796 4.130 327 HB3 ASP 723 HB1 ASP 723 34.357 24.476 3.667 328 H ARG 724 HN ARG 724 34.112 28.707 2.757 329 HA ARG 724 HA ARG 724 36.641 28.518 1.418 330 HB2 ARG 724 HB2 ARG 724 35.262 30.786 2.869 331 HB3 ARG 724 HB1 ARG 724 36.800 30.958 2.022 332 HG2 ARG 724 HG2 ARG 724 35.748 30.213 -0.073 333 HG3 ARG 724 HG1 ARG 724 34.209 30.007 0.765 334 HD2 ARG 724 HD2 ARG 724 34.190 32.409 1.324 335 HD3 ARG 724 HD1 ARG 724 35.726 32.617 0.487 336 HE ARG 724 HE ARG 724 33.702 31.447 -1.192 337 HH11 ARG 724 HH21 ARG 724 34.967 34.374 0.151 338 HH12 ARG 724 HH22 ARG 724 34.374 35.381 -1.128 339 HH21 ARG 724 HH11 ARG 724 32.922 32.760 -2.873 340 HH22 ARG 724 HH12 ARG 724 33.216 34.466 -2.841 341 H LYS 725 HN LYS 725 38.701 28.798 2.254 342 HA LYS 725 HA LYS 725 39.218 27.702 4.803 343 HB2 LYS 725 HB2 LYS 725 40.971 29.296 2.923 344 HB3 LYS 725 HB1 LYS 725 41.563 28.509 4.386 345 HG2 LYS 725 HG2 LYS 725 40.774 26.332 3.545 346 HG3 LYS 725 HG1 LYS 725 40.167 27.112 2.084 347 HD2 LYS 725 HD2 LYS 725 42.452 27.855 1.524 348 HD3 LYS 725 HD1 LYS 725 43.063 27.077 2.984 349 HE2 LYS 725 HE2 LYS 725 42.280 24.892 2.159 350 HE3 LYS 725 HE1 LYS 725 41.655 25.662 0.701 351 HZ1 LYS 725 HZ1 LYS 725 43.776 26.156 -0.047 352 HZ2 LYS 725 HZ2 LYS 725 43.970 24.607 0.623 353 HZ3 LYS 725 HZ3 LYS 725 44.481 25.978 1.484 354 H GLU 726 HN GLU 726 39.172 31.046 3.627 355 HA GLU 726 HA GLU 726 39.476 31.987 6.415 356 HB2 GLU 726 HB2 GLU 726 41.192 32.791 4.826 357 HB3 GLU 726 HB1 GLU 726 39.921 33.483 3.819 358 HG2 GLU 726 HG2 GLU 726 39.233 34.954 5.652 359 HG3 GLU 726 HG1 GLU 726 40.445 34.234 6.711 360 H PHE 727 HN PHE 727 37.645 32.551 7.361 361 HA PHE 727 HA PHE 727 35.337 32.915 7.523 362 HB2 PHE 727 HB2 PHE 727 36.544 35.412 6.333 363 HB3 PHE 727 HB1 PHE 727 34.903 35.343 6.976 364 HD1 PHE 727 HD2 PHE 727 34.519 34.803 9.381 365 HD2 PHE 727 HD1 PHE 727 38.459 35.434 7.795 366 HE1 PHE 727 HE2 PHE 727 35.399 35.100 11.681 367 HE2 PHE 727 HE1 PHE 727 39.339 35.729 10.093 368 HZ PHE 727 HZ PHE 727 37.808 35.563 12.036 Start of MODEL 13 1 H2 PRO 685 HT1 PRO 685 39.992 -28.651 0.494 2 H3 PRO 685 HT2 PRO 685 40.830 -30.131 0.563 3 HA PRO 685 HA PRO 685 40.383 -30.304 2.705 4 HB2 PRO 685 HB2 PRO 685 41.351 -27.671 3.569 5 HB3 PRO 685 HB1 PRO 685 41.975 -29.285 3.966 6 HG2 PRO 685 HG2 PRO 685 43.256 -27.554 2.322 7 HG3 PRO 685 HG1 PRO 685 43.401 -29.314 2.202 8 HD2 PRO 685 HD2 PRO 685 41.863 -27.428 0.464 9 HD3 PRO 685 HD1 PRO 685 42.651 -28.962 0.042 10 H GLU 686 HN GLU 686 39.422 -28.882 4.693 11 HA GLU 686 HA GLU 686 36.786 -28.191 3.903 12 HB2 GLU 686 HB2 GLU 686 38.281 -27.709 6.493 13 HB3 GLU 686 HB1 GLU 686 36.555 -27.425 6.278 14 HG2 GLU 686 HG2 GLU 686 37.929 -30.090 5.827 15 HG3 GLU 686 HG1 GLU 686 37.043 -29.655 7.286 16 H SER 687 HN SER 687 39.652 -26.287 4.696 17 HA SER 687 HA SER 687 38.280 -23.900 3.619 18 HB2 SER 687 HB2 SER 687 39.997 -24.074 6.098 19 HB3 SER 687 HB1 SER 687 39.565 -22.557 5.314 20 HG SER 687 HG SER 687 38.118 -23.176 7.013 21 HA PRO 688 HA PRO 688 42.273 -24.783 1.390 22 HB2 PRO 688 HB2 PRO 688 40.741 -23.598 -0.845 23 HB3 PRO 688 HB1 PRO 688 41.638 -25.126 -0.778 24 HG2 PRO 688 HG2 PRO 688 38.958 -25.028 -0.814 25 HG3 PRO 688 HG1 PRO 688 39.855 -26.291 0.045 26 HD2 PRO 688 HD2 PRO 688 38.436 -23.899 1.154 27 HD3 PRO 688 HD1 PRO 688 38.624 -25.526 1.849 28 H LYS 689 HN LYS 689 43.871 -23.300 0.891 29 HA LYS 689 HA LYS 689 43.640 -20.671 1.884 30 HB2 LYS 689 HB2 LYS 689 45.780 -21.931 1.694 31 HB3 LYS 689 HB1 LYS 689 45.696 -21.748 -0.059 32 HG2 LYS 689 HG2 LYS 689 45.733 -19.307 0.167 33 HG3 LYS 689 HG1 LYS 689 45.752 -19.455 1.926 34 HD2 LYS 689 HD2 LYS 689 47.902 -20.668 1.798 35 HD3 LYS 689 HD1 LYS 689 47.890 -20.497 0.042 36 HE2 LYS 689 HE2 LYS 689 47.905 -18.043 0.273 37 HE3 LYS 689 HE1 LYS 689 47.897 -18.203 2.029 38 HZ1 LYS 689 HZ1 LYS 689 50.113 -18.027 0.522 39 HZ2 LYS 689 HZ2 LYS 689 49.966 -19.711 0.696 40 HZ3 LYS 689 HZ3 LYS 689 50.059 -18.718 2.070 41 H GLY 690 HN GLY 690 43.606 -21.954 -1.432 42 HA2 GLY 690 HA2 GLY 690 43.133 -20.928 -3.452 43 HA3 GLY 690 HA1 GLY 690 41.777 -20.261 -2.546 44 HA PRO 691 HA PRO 691 45.508 -17.059 -2.155 45 HB2 PRO 691 HB2 PRO 691 46.946 -17.911 -4.622 46 HB3 PRO 691 HB1 PRO 691 47.600 -17.335 -3.076 47 HG2 PRO 691 HG2 PRO 691 47.710 -19.901 -3.737 48 HG3 PRO 691 HG1 PRO 691 47.395 -19.393 -2.069 49 HD2 PRO 691 HD2 PRO 691 45.478 -20.483 -4.097 50 HD3 PRO 691 HD1 PRO 691 45.511 -20.715 -2.335 51 H ASP 692 HN ASP 692 44.397 -18.239 -5.304 52 HA ASP 692 HA ASP 692 44.311 -15.692 -6.610 53 HB2 ASP 692 HB2 ASP 692 43.120 -18.407 -7.126 54 HB3 ASP 692 HB1 ASP 692 42.534 -17.021 -8.043 55 H ILE 693 HN ILE 693 41.977 -17.625 -4.837 56 HA ILE 693 HA ILE 693 39.712 -15.968 -5.198 57 HB ILE 693 HB ILE 693 40.392 -18.010 -3.069 58 HG12 ILE 693 HG12 ILE 693 38.435 -18.140 -5.380 59 HG13 ILE 693 HG11 ILE 693 40.094 -18.728 -5.491 60 HG21 ILE 693 HG21 ILE 693 38.776 -16.579 -2.062 61 HG22 ILE 693 HG22 ILE 693 37.848 -17.923 -2.722 62 HG23 ILE 693 HG23 ILE 693 37.894 -16.381 -3.575 63 HD11 ILE 693 HD11 ILE 693 38.036 -19.677 -3.474 64 HD12 ILE 693 HD12 ILE 693 39.687 -20.279 -3.626 65 HD13 ILE 693 HD13 ILE 693 38.523 -20.557 -4.923 66 H LEU 694 HN LEU 694 42.174 -16.228 -2.715 67 HA LEU 694 HA LEU 694 41.119 -14.314 -0.928 68 HB2 LEU 694 HB2 LEU 694 43.938 -15.295 -1.415 69 HB3 LEU 694 HB1 LEU 694 43.516 -14.187 -0.112 70 HG LEU 694 HG LEU 694 42.212 -16.895 -0.522 71 HD11 LEU 694 HD11 LEU 694 43.601 -17.532 1.498 72 HD12 LEU 694 HD12 LEU 694 44.515 -16.044 1.247 73 HD13 LEU 694 HD13 LEU 694 44.519 -17.299 0.010 74 HD21 LEU 694 HD21 LEU 694 40.722 -15.995 0.931 75 HD22 LEU 694 HD22 LEU 694 41.767 -14.626 1.298 76 HD23 LEU 694 HD23 LEU 694 41.993 -16.158 2.139 77 H VAL 695 HN VAL 695 43.299 -14.100 -3.708 78 HA VAL 695 HA VAL 695 43.994 -11.368 -3.391 79 HB VAL 695 HB VAL 695 43.878 -13.141 -5.844 80 HG11 VAL 695 HG11 VAL 695 45.616 -11.150 -6.474 81 HG12 VAL 695 HG12 VAL 695 44.451 -10.250 -5.503 82 HG13 VAL 695 HG13 VAL 695 43.913 -11.130 -6.933 83 HG21 VAL 695 HG21 VAL 695 46.450 -12.143 -4.827 84 HG22 VAL 695 HG22 VAL 695 45.982 -13.782 -5.279 85 HG23 VAL 695 HG23 VAL 695 45.593 -13.165 -3.673 86 H VAL 696 HN VAL 696 41.478 -13.034 -5.199 87 HA VAL 696 HA VAL 696 40.283 -10.745 -6.347 88 HB VAL 696 HB VAL 696 39.168 -13.482 -5.688 89 HG11 VAL 696 HG11 VAL 696 37.531 -12.584 -7.605 90 HG12 VAL 696 HG12 VAL 696 37.935 -11.033 -6.869 91 HG13 VAL 696 HG13 VAL 696 37.195 -12.305 -5.897 92 HG21 VAL 696 HG21 VAL 696 39.843 -14.106 -7.796 93 HG22 VAL 696 HG22 VAL 696 41.056 -12.858 -7.513 94 HG23 VAL 696 HG23 VAL 696 39.615 -12.489 -8.461 95 H LEU 697 HN LEU 697 39.706 -12.565 -3.350 96 HA LEU 697 HA LEU 697 37.430 -11.128 -2.521 97 HB2 LEU 697 HB2 LEU 697 38.076 -13.270 -1.529 98 HB3 LEU 697 HB1 LEU 697 39.537 -12.541 -0.867 99 HG LEU 697 HG LEU 697 38.188 -11.047 0.541 100 HD11 LEU 697 HD11 LEU 697 35.959 -12.247 -1.070 101 HD12 LEU 697 HD12 LEU 697 36.209 -10.569 -0.590 102 HD13 LEU 697 HD13 LEU 697 35.640 -11.749 0.591 103 HD21 LEU 697 HD21 LEU 697 38.756 -13.321 1.366 104 HD22 LEU 697 HD22 LEU 697 37.228 -13.918 0.717 105 HD23 LEU 697 HD23 LEU 697 37.229 -12.739 2.029 106 H LEU 698 HN LEU 698 40.878 -10.550 -1.871 107 HA LEU 698 HA LEU 698 40.499 -8.403 -0.061 108 HB2 LEU 698 HB2 LEU 698 42.822 -9.153 -1.844 109 HB3 LEU 698 HB1 LEU 698 42.882 -7.808 -0.708 110 HG LEU 698 HG LEU 698 42.174 -10.649 0.088 111 HD11 LEU 698 HD11 LEU 698 44.817 -9.195 0.015 112 HD12 LEU 698 HD12 LEU 698 44.429 -10.797 -0.612 113 HD13 LEU 698 HD13 LEU 698 44.533 -10.532 1.128 114 HD21 LEU 698 HD21 LEU 698 41.522 -9.588 1.978 115 HD22 LEU 698 HD22 LEU 698 42.237 -8.061 1.468 116 HD23 LEU 698 HD23 LEU 698 43.233 -9.277 2.263 117 H SER 699 HN SER 699 40.985 -8.577 -3.549 118 HA SER 699 HA SER 699 41.014 -5.804 -4.050 119 HB2 SER 699 HB2 SER 699 40.474 -6.478 -6.371 120 HB3 SER 699 HB1 SER 699 41.782 -7.449 -5.692 121 HG SER 699 HG SER 699 40.060 -8.963 -5.087 122 H VAL 700 HN VAL 700 38.445 -8.166 -3.660 123 HA VAL 700 HA VAL 700 36.309 -6.533 -4.606 124 HB VAL 700 HB VAL 700 36.348 -8.888 -2.704 125 HG11 VAL 700 HG11 VAL 700 34.097 -7.208 -3.795 126 HG12 VAL 700 HG12 VAL 700 34.355 -7.764 -2.142 127 HG13 VAL 700 HG13 VAL 700 33.840 -8.904 -3.385 128 HG21 VAL 700 HG21 VAL 700 36.717 -8.722 -5.463 129 HG22 VAL 700 HG22 VAL 700 35.013 -9.147 -5.290 130 HG23 VAL 700 HG23 VAL 700 36.255 -10.170 -4.567 131 H MET 701 HN MET 701 37.684 -7.201 -1.427 132 HA MET 701 HA MET 701 35.932 -5.595 0.078 133 HB2 MET 701 HB2 MET 701 37.463 -7.277 1.067 134 HB3 MET 701 HB1 MET 701 38.835 -6.255 0.639 135 HG2 MET 701 HG2 MET 701 37.968 -4.453 2.060 136 HG3 MET 701 HG1 MET 701 36.545 -5.419 2.442 137 HE1 MET 701 HE1 MET 701 40.460 -6.739 2.257 138 HE2 MET 701 HE2 MET 701 40.863 -5.926 3.766 139 HE3 MET 701 HE3 MET 701 40.203 -4.997 2.422 140 H GLY 702 HN GLY 702 38.958 -4.915 -1.617 141 HA2 GLY 702 HA2 GLY 702 39.344 -2.280 -0.654 142 HA3 GLY 702 HA1 GLY 702 39.982 -2.919 -2.165 143 H ALA 703 HN ALA 703 37.557 -3.550 -3.436 144 HA ALA 703 HA ALA 703 36.886 -1.075 -4.603 145 HB1 ALA 703 HB1 ALA 703 35.158 -3.544 -4.704 146 HB2 ALA 703 HB2 ALA 703 36.663 -3.409 -5.614 147 HB3 ALA 703 HB3 ALA 703 35.338 -2.288 -5.929 148 H ILE 704 HN ILE 704 35.301 -2.996 -2.073 149 HA ILE 704 HA ILE 704 32.892 -1.532 -1.986 150 HB ILE 704 HB ILE 704 34.357 -3.089 0.149 151 HG12 ILE 704 HG12 ILE 704 33.586 -4.418 -1.777 152 HG13 ILE 704 HG11 ILE 704 32.666 -4.817 -0.332 153 HG21 ILE 704 HG21 ILE 704 31.791 -3.082 0.991 154 HG22 ILE 704 HG22 ILE 704 31.868 -1.481 0.257 155 HG23 ILE 704 HG23 ILE 704 32.992 -1.915 1.545 156 HD11 ILE 704 HD11 ILE 704 31.778 -3.492 -2.840 157 HD12 ILE 704 HD12 ILE 704 31.074 -2.866 -1.354 158 HD13 ILE 704 HD13 ILE 704 30.893 -4.568 -1.763 159 H LEU 705 HN LEU 705 35.955 -1.095 -0.196 160 HA LEU 705 HA LEU 705 35.034 1.044 1.408 161 HB2 LEU 705 HB2 LEU 705 37.742 0.082 0.568 162 HB3 LEU 705 HB1 LEU 705 37.600 1.640 1.371 163 HG LEU 705 HG LEU 705 38.034 -0.403 2.868 164 HD11 LEU 705 HD11 LEU 705 36.236 1.853 3.223 165 HD12 LEU 705 HD12 LEU 705 37.387 1.148 4.357 166 HD13 LEU 705 HD13 LEU 705 35.757 0.489 4.233 167 HD21 LEU 705 HD21 LEU 705 35.067 -0.885 2.652 168 HD22 LEU 705 HD22 LEU 705 36.315 -1.923 3.334 169 HD23 LEU 705 HD23 LEU 705 36.188 -1.732 1.592 170 H LEU 706 HN LEU 706 36.592 1.028 -1.794 171 HA LEU 706 HA LEU 706 36.864 3.818 -2.033 172 HB2 LEU 706 HB2 LEU 706 38.005 2.245 -3.530 173 HB3 LEU 706 HB1 LEU 706 36.456 1.723 -4.186 174 HG LEU 706 HG LEU 706 36.039 3.979 -5.064 175 HD11 LEU 706 HD11 LEU 706 37.048 5.521 -3.645 176 HD12 LEU 706 HD12 LEU 706 38.208 5.496 -4.974 177 HD13 LEU 706 HD13 LEU 706 38.530 4.576 -3.506 178 HD21 LEU 706 HD21 LEU 706 38.864 3.221 -5.819 179 HD22 LEU 706 HD22 LEU 706 37.607 3.911 -6.846 180 HD23 LEU 706 HD23 LEU 706 37.479 2.240 -6.297 181 H ILE 707 HN ILE 707 34.219 1.629 -2.916 182 HA ILE 707 HA ILE 707 32.582 3.552 -4.180 183 HB ILE 707 HB ILE 707 31.905 0.958 -2.787 184 HG12 ILE 707 HG12 ILE 707 31.944 1.662 -5.733 185 HG13 ILE 707 HG11 ILE 707 33.336 0.977 -4.897 186 HG21 ILE 707 HG21 ILE 707 29.880 2.196 -2.735 187 HG22 ILE 707 HG22 ILE 707 29.765 1.220 -4.199 188 HG23 ILE 707 HG23 ILE 707 30.193 2.928 -4.310 189 HD11 ILE 707 HD11 ILE 707 31.873 -0.731 -6.050 190 HD12 ILE 707 HD12 ILE 707 30.594 -0.311 -4.911 191 HD13 ILE 707 HD13 ILE 707 32.100 -1.017 -4.325 192 H GLY 708 HN GLY 708 32.737 2.459 -0.808 193 HA2 GLY 708 HA2 GLY 708 30.534 4.012 0.109 194 HA3 GLY 708 HA1 GLY 708 31.780 3.285 1.120 195 H LEU 709 HN LEU 709 34.034 4.512 0.084 196 HA LEU 709 HA LEU 709 34.044 7.007 1.417 197 HB2 LEU 709 HB2 LEU 709 36.046 5.632 -0.377 198 HB3 LEU 709 HB1 LEU 709 36.365 7.170 0.423 199 HG LEU 709 HG LEU 709 35.514 4.650 1.885 200 HD11 LEU 709 HD11 LEU 709 38.276 5.824 1.459 201 HD12 LEU 709 HD12 LEU 709 37.693 4.270 0.865 202 HD13 LEU 709 HD13 LEU 709 37.903 4.528 2.596 203 HD21 LEU 709 HD21 LEU 709 36.201 7.446 2.686 204 HD22 LEU 709 HD22 LEU 709 36.786 6.147 3.721 205 HD23 LEU 709 HD23 LEU 709 35.060 6.315 3.410 206 H ALA 710 HN ALA 710 33.842 6.015 -1.949 207 HA ALA 710 HA ALA 710 34.465 8.228 -3.363 208 HB1 ALA 710 HB1 ALA 710 32.117 7.541 -4.612 209 HB2 ALA 710 HB2 ALA 710 32.535 6.068 -3.735 210 HB3 ALA 710 HB3 ALA 710 33.680 6.771 -4.873 211 HA PRO 711 HA PRO 711 30.256 10.464 -2.849 212 HB2 PRO 711 HB2 PRO 711 28.663 9.624 -0.748 213 HB3 PRO 711 HB1 PRO 711 28.453 9.133 -2.440 214 HG2 PRO 711 HG2 PRO 711 29.743 7.678 -0.194 215 HG3 PRO 711 HG1 PRO 711 28.746 7.058 -1.520 216 HD2 PRO 711 HD2 PRO 711 31.449 6.811 -1.509 217 HD3 PRO 711 HD1 PRO 711 30.521 6.994 -3.010 218 H LEU 712 HN LEU 712 31.806 9.232 0.100 219 HA LEU 712 HA LEU 712 31.333 11.552 1.680 220 HB2 LEU 712 HB2 LEU 712 33.238 9.239 1.856 221 HB3 LEU 712 HB1 LEU 712 33.469 10.647 2.892 222 HG LEU 712 HG LEU 712 31.164 10.422 3.732 223 HD11 LEU 712 HD11 LEU 712 29.816 9.442 2.149 224 HD12 LEU 712 HD12 LEU 712 30.207 7.998 3.084 225 HD13 LEU 712 HD13 LEU 712 31.084 8.351 1.598 226 HD21 LEU 712 HD21 LEU 712 32.463 7.702 3.909 227 HD22 LEU 712 HD22 LEU 712 31.577 8.578 5.158 228 HD23 LEU 712 HD23 LEU 712 33.187 9.114 4.680 229 H LEU 713 HN LEU 713 33.954 10.472 -0.449 230 HA LEU 713 HA LEU 713 35.654 12.689 -0.003 231 HB2 LEU 713 HB2 LEU 713 35.373 10.784 -2.334 232 HB3 LEU 713 HB1 LEU 713 36.636 12.009 -2.235 233 HG LEU 713 HG LEU 713 36.150 9.901 -0.109 234 HD11 LEU 713 HD11 LEU 713 37.845 9.913 -2.581 235 HD12 LEU 713 HD12 LEU 713 36.912 8.596 -1.872 236 HD13 LEU 713 HD13 LEU 713 38.440 9.088 -1.140 237 HD21 LEU 713 HD21 LEU 713 38.086 12.151 -0.471 238 HD22 LEU 713 HD22 LEU 713 38.713 10.649 0.203 239 HD23 LEU 713 HD23 LEU 713 37.391 11.490 1.008 240 H ILE 714 HN ILE 714 33.129 12.011 -2.399 241 HA ILE 714 HA ILE 714 33.437 14.410 -3.874 242 HB ILE 714 HB ILE 714 31.064 12.568 -3.509 243 HG12 ILE 714 HG12 ILE 714 32.910 12.952 -5.883 244 HG13 ILE 714 HG11 ILE 714 33.179 11.723 -4.644 245 HG21 ILE 714 HG21 ILE 714 29.907 14.356 -4.332 246 HG22 ILE 714 HG22 ILE 714 30.641 13.879 -5.863 247 HG23 ILE 714 HG23 ILE 714 31.368 15.164 -4.899 248 HD11 ILE 714 HD11 ILE 714 31.092 10.641 -5.148 249 HD12 ILE 714 HD12 ILE 714 31.908 10.915 -6.687 250 HD13 ILE 714 HD13 ILE 714 30.586 11.972 -6.189 251 H TRP 715 HN TRP 715 31.307 13.506 -1.149 252 HA TRP 715 HA TRP 715 29.994 16.013 -0.990 253 HB2 TRP 715 HB2 TRP 715 29.107 13.958 0.065 254 HB3 TRP 715 HB1 TRP 715 30.474 13.948 1.179 255 HD1 TRP 715 HD1 TRP 715 30.208 15.275 3.334 256 HE1 TRP 715 HE1 TRP 715 28.530 17.022 4.220 257 HE3 TRP 715 HE3 TRP 715 27.421 16.038 -0.877 258 HZ2 TRP 715 HZ2 TRP 715 26.299 18.539 3.268 259 HZ3 TRP 715 HZ3 TRP 715 25.528 17.639 -0.861 260 HH2 TRP 715 HH2 TRP 715 24.966 18.889 1.205 261 H ALA 716 HN ALA 716 32.766 14.591 0.676 262 HA ALA 716 HA ALA 716 33.395 16.635 2.442 263 HB1 ALA 716 HB1 ALA 716 34.493 14.459 2.496 264 HB2 ALA 716 HB2 ALA 716 35.694 15.745 2.372 265 HB3 ALA 716 HB3 ALA 716 35.269 14.795 0.948 266 H LEU 717 HN LEU 717 34.488 16.134 -0.892 267 HA LEU 717 HA LEU 717 36.109 18.425 -1.075 268 HB2 LEU 717 HB2 LEU 717 34.755 16.656 -3.095 269 HB3 LEU 717 HB1 LEU 717 35.647 18.086 -3.604 270 HG LEU 717 HG LEU 717 36.817 15.914 -1.835 271 HD11 LEU 717 HD11 LEU 717 38.035 15.213 -3.904 272 HD12 LEU 717 HD12 LEU 717 37.025 16.325 -4.830 273 HD13 LEU 717 HD13 LEU 717 36.294 14.949 -4.004 274 HD21 LEU 717 HD21 LEU 717 38.835 17.231 -3.250 275 HD22 LEU 717 HD22 LEU 717 38.437 17.469 -1.549 276 HD23 LEU 717 HD23 LEU 717 37.740 18.528 -2.772 277 H LEU 718 HN LEU 718 32.671 17.896 -1.933 278 HA LEU 718 HA LEU 718 32.282 20.473 -3.046 279 HB2 LEU 718 HB2 LEU 718 30.366 18.492 -1.830 280 HB3 LEU 718 HB1 LEU 718 29.836 20.002 -2.562 281 HG LEU 718 HG LEU 718 31.557 17.958 -3.983 282 HD11 LEU 718 HD11 LEU 718 29.420 17.397 -5.205 283 HD12 LEU 718 HD12 LEU 718 28.551 18.339 -3.992 284 HD13 LEU 718 HD13 LEU 718 29.443 16.895 -3.515 285 HD21 LEU 718 HD21 LEU 718 30.572 20.636 -4.632 286 HD22 LEU 718 HD22 LEU 718 30.085 19.435 -5.826 287 HD23 LEU 718 HD23 LEU 718 31.790 19.655 -5.445 288 H ILE 719 HN ILE 719 31.757 19.243 0.267 289 HA ILE 719 HA ILE 719 30.846 21.795 1.217 290 HB ILE 719 HB ILE 719 30.871 20.846 3.424 291 HG12 ILE 719 HG12 ILE 719 32.458 18.617 2.162 292 HG13 ILE 719 HG11 ILE 719 33.030 19.727 3.388 293 HG21 ILE 719 HG21 ILE 719 30.076 18.380 2.009 294 HG22 ILE 719 HG22 ILE 719 29.386 19.850 1.318 295 HG23 ILE 719 HG23 ILE 719 29.112 19.458 3.016 296 HD11 ILE 719 HD11 ILE 719 30.803 18.743 4.610 297 HD12 ILE 719 HD12 ILE 719 32.432 18.099 4.833 298 HD13 ILE 719 HD13 ILE 719 31.338 17.340 3.681 299 H THR 720 HN THR 720 33.894 19.988 1.238 300 HA THR 720 HA THR 720 35.345 21.878 2.801 301 HB THR 720 HB THR 720 36.319 19.962 0.661 302 HG1 THR 720 HG1 THR 720 35.290 19.002 2.474 303 HG21 THR 720 HG21 THR 720 37.732 21.766 2.634 304 HG22 THR 720 HG22 THR 720 38.118 21.405 0.947 305 HG23 THR 720 HG23 THR 720 38.437 20.205 2.190 306 H ILE 721 HN ILE 721 34.750 21.408 -0.704 307 HA ILE 721 HA ILE 721 36.441 23.704 -1.442 308 HB ILE 721 HB ILE 721 34.249 22.299 -3.001 309 HG12 ILE 721 HG12 ILE 721 37.234 22.533 -3.521 310 HG13 ILE 721 HG11 ILE 721 36.547 21.241 -2.547 311 HG21 ILE 721 HG21 ILE 721 35.863 24.771 -3.628 312 HG22 ILE 721 HG22 ILE 721 34.145 24.475 -3.885 313 HG23 ILE 721 HG23 ILE 721 35.337 23.698 -4.928 314 HD11 ILE 721 HD11 ILE 721 36.881 20.553 -4.897 315 HD12 ILE 721 HD12 ILE 721 35.793 21.839 -5.425 316 HD13 ILE 721 HD13 ILE 721 35.179 20.506 -4.444 317 H HIS 722 HN HIS 722 32.943 23.376 -0.892 318 HA HIS 722 HA HIS 722 32.202 26.011 -1.558 319 HB2 HIS 722 HB2 HIS 722 31.060 23.853 0.150 320 HB3 HIS 722 HB1 HIS 722 30.433 25.488 0.372 321 HD1 HIS 722 HD1 HIS 722 30.793 22.796 -2.257 322 HD2 HIS 722 HD2 HIS 722 28.850 26.447 -1.750 323 HE1 HIS 722 HE1 HIS 722 29.214 23.045 -4.223 324 H ASP 723 HN ASP 723 33.464 24.637 1.467 325 HA ASP 723 HA ASP 723 33.158 26.999 3.045 326 HB2 ASP 723 HB2 ASP 723 34.731 24.449 3.291 327 HB3 ASP 723 HB1 ASP 723 35.112 25.797 4.356 328 H ARG 724 HN ARG 724 35.749 25.687 1.015 329 HA ARG 724 HA ARG 724 37.763 27.543 1.709 330 HB2 ARG 724 HB2 ARG 724 38.172 25.440 0.455 331 HB3 ARG 724 HB1 ARG 724 37.343 26.131 -0.939 332 HG2 ARG 724 HG2 ARG 724 38.998 27.942 -1.048 333 HG3 ARG 724 HG1 ARG 724 39.814 27.299 0.378 334 HD2 ARG 724 HD2 ARG 724 40.998 26.551 -1.607 335 HD3 ARG 724 HD1 ARG 724 40.203 25.166 -0.864 336 HE ARG 724 HE ARG 724 38.494 26.316 -2.818 337 HH11 ARG 724 HH21 ARG 724 41.419 24.501 -2.445 338 HH12 ARG 724 HH22 ARG 724 41.266 23.682 -3.963 339 HH21 ARG 724 HH11 ARG 724 38.286 25.241 -4.806 340 HH22 ARG 724 HH12 ARG 724 39.493 24.102 -5.300 341 H LYS 725 HN LYS 725 35.268 27.589 -0.815 342 HA LYS 725 HA LYS 725 36.090 29.970 -2.079 343 HB2 LYS 725 HB2 LYS 725 34.466 28.359 -3.053 344 HB3 LYS 725 HB1 LYS 725 33.278 28.869 -1.852 345 HG2 LYS 725 HG2 LYS 725 33.355 31.162 -2.702 346 HG3 LYS 725 HG1 LYS 725 34.612 30.714 -3.856 347 HD2 LYS 725 HD2 LYS 725 33.052 29.110 -4.919 348 HD3 LYS 725 HD1 LYS 725 31.794 29.594 -3.782 349 HE2 LYS 725 HE2 LYS 725 33.198 31.509 -5.667 350 HE3 LYS 725 HE1 LYS 725 31.638 30.757 -6.005 351 HZ1 LYS 725 HZ1 LYS 725 32.150 33.039 -4.488 352 HZ2 LYS 725 HZ2 LYS 725 31.577 31.847 -3.422 353 HZ3 LYS 725 HZ3 LYS 725 30.656 32.292 -4.779 354 H GLU 726 HN GLU 726 33.793 29.370 0.563 355 HA GLU 726 HA GLU 726 32.832 30.782 2.100 356 HB2 GLU 726 HB2 GLU 726 35.225 31.144 2.667 357 HB3 GLU 726 HB1 GLU 726 35.271 32.485 1.524 358 HG2 GLU 726 HG2 GLU 726 33.526 33.656 2.802 359 HG3 GLU 726 HG1 GLU 726 33.427 32.303 3.926 360 H PHE 727 HN PHE 727 31.151 31.132 0.436 361 HA PHE 727 HA PHE 727 30.991 33.083 -1.462 362 HB2 PHE 727 HB2 PHE 727 28.584 33.176 -1.040 363 HB3 PHE 727 HB1 PHE 727 29.157 31.512 -0.923 364 HD1 PHE 727 HD1 PHE 727 29.310 30.373 1.236 365 HD2 PHE 727 HD2 PHE 727 27.909 34.424 0.953 366 HE1 PHE 727 HE1 PHE 727 28.444 30.235 3.555 367 HE2 PHE 727 HE2 PHE 727 27.044 34.287 3.273 368 HZ PHE 727 HZ PHE 727 27.311 32.193 4.574 Start of MODEL 14 1 H2 PRO 685 HT1 PRO 685 47.843 -34.173 -10.046 2 H3 PRO 685 HT2 PRO 685 46.194 -34.581 -10.138 3 HA PRO 685 HA PRO 685 45.704 -32.865 -8.859 4 HB2 PRO 685 HB2 PRO 685 47.457 -33.474 -6.595 5 HB3 PRO 685 HB1 PRO 685 45.684 -33.509 -6.682 6 HG2 PRO 685 HG2 PRO 685 47.226 -35.739 -6.515 7 HG3 PRO 685 HG1 PRO 685 45.624 -35.697 -7.269 8 HD2 PRO 685 HD2 PRO 685 48.317 -35.789 -8.571 9 HD3 PRO 685 HD1 PRO 685 46.774 -36.479 -9.119 10 H GLU 686 HN GLU 686 46.443 -30.962 -9.592 11 HA GLU 686 HA GLU 686 49.184 -30.320 -9.940 12 HB2 GLU 686 HB2 GLU 686 46.706 -28.589 -9.865 13 HB3 GLU 686 HB1 GLU 686 48.310 -27.985 -10.282 14 HG2 GLU 686 HG2 GLU 686 48.451 -29.556 -12.150 15 HG3 GLU 686 HG1 GLU 686 46.895 -30.254 -11.708 16 H SER 687 HN SER 687 46.844 -29.616 -7.381 17 HA SER 687 HA SER 687 47.096 -28.563 -5.336 18 HB2 SER 687 HB2 SER 687 49.629 -30.204 -5.524 19 HB3 SER 687 HB1 SER 687 49.051 -29.440 -4.045 20 HG SER 687 HG SER 687 48.388 -31.774 -4.897 21 HA PRO 688 HA PRO 688 50.151 -25.421 -7.058 22 HB2 PRO 688 HB2 PRO 688 48.408 -23.441 -7.653 23 HB3 PRO 688 HB1 PRO 688 48.739 -24.775 -8.779 24 HG2 PRO 688 HG2 PRO 688 46.461 -24.441 -6.869 25 HG3 PRO 688 HG1 PRO 688 46.433 -24.933 -8.574 26 HD2 PRO 688 HD2 PRO 688 46.306 -26.748 -6.553 27 HD3 PRO 688 HD1 PRO 688 47.101 -27.112 -8.100 28 H LYS 689 HN LYS 689 50.882 -23.531 -5.985 29 HA LYS 689 HA LYS 689 49.635 -23.076 -3.341 30 HB2 LYS 689 HB2 LYS 689 51.936 -23.996 -3.290 31 HB3 LYS 689 HB1 LYS 689 52.498 -22.597 -4.205 32 HG2 LYS 689 HG2 LYS 689 51.755 -21.097 -2.402 33 HG3 LYS 689 HG1 LYS 689 51.145 -22.480 -1.492 34 HD2 LYS 689 HD2 LYS 689 53.424 -23.423 -1.395 35 HD3 LYS 689 HD1 LYS 689 54.034 -22.034 -2.295 36 HE2 LYS 689 HE2 LYS 689 54.410 -21.693 0.100 37 HE3 LYS 689 HE1 LYS 689 53.217 -20.535 -0.487 38 HZ1 LYS 689 HZ1 LYS 689 52.781 -21.921 1.661 39 HZ2 LYS 689 HZ2 LYS 689 52.288 -23.114 0.557 40 HZ3 LYS 689 HZ3 LYS 689 51.518 -21.599 0.575 41 H GLY 690 HN GLY 690 48.848 -21.110 -2.895 42 HA2 GLY 690 HA2 GLY 690 48.987 -18.707 -2.920 43 HA3 GLY 690 HA1 GLY 690 49.735 -18.807 -4.512 44 HA PRO 691 HA PRO 691 44.977 -19.842 -5.038 45 HB2 PRO 691 HB2 PRO 691 43.894 -18.479 -2.649 46 HB3 PRO 691 HB1 PRO 691 43.484 -20.068 -3.320 47 HG2 PRO 691 HG2 PRO 691 44.878 -19.783 -1.050 48 HG3 PRO 691 HG1 PRO 691 45.145 -21.132 -2.168 49 HD2 PRO 691 HD2 PRO 691 46.809 -18.678 -1.743 50 HD3 PRO 691 HD1 PRO 691 47.321 -20.334 -2.141 51 H ASP 692 HN ASP 692 43.677 -18.444 -6.213 52 HA ASP 692 HA ASP 692 44.498 -15.622 -6.204 53 HB2 ASP 692 HB2 ASP 692 42.920 -17.289 -8.165 54 HB3 ASP 692 HB1 ASP 692 43.175 -15.555 -8.348 55 H ILE 693 HN ILE 693 42.118 -17.576 -4.917 56 HA ILE 693 HA ILE 693 39.773 -15.993 -5.172 57 HB ILE 693 HB ILE 693 40.623 -18.019 -3.094 58 HG12 ILE 693 HG12 ILE 693 38.611 -18.241 -5.351 59 HG13 ILE 693 HG11 ILE 693 40.295 -18.743 -5.502 60 HG21 ILE 693 HG21 ILE 693 38.042 -16.498 -3.488 61 HG22 ILE 693 HG22 ILE 693 38.977 -16.698 -2.004 62 HG23 ILE 693 HG23 ILE 693 38.080 -18.062 -2.674 63 HD11 ILE 693 HD11 ILE 693 38.735 -20.615 -4.886 64 HD12 ILE 693 HD12 ILE 693 38.416 -19.783 -3.364 65 HD13 ILE 693 HD13 ILE 693 40.041 -20.366 -3.729 66 H LEU 694 HN LEU 694 42.345 -16.202 -2.778 67 HA LEU 694 HA LEU 694 41.240 -14.349 -0.947 68 HB2 LEU 694 HB2 LEU 694 44.068 -15.316 -1.395 69 HB3 LEU 694 HB1 LEU 694 43.651 -14.172 -0.122 70 HG LEU 694 HG LEU 694 42.322 -16.882 -0.455 71 HD11 LEU 694 HD11 LEU 694 44.600 -16.045 1.364 72 HD12 LEU 694 HD12 LEU 694 44.686 -17.221 0.051 73 HD13 LEU 694 HD13 LEU 694 43.721 -17.569 1.486 74 HD21 LEU 694 HD21 LEU 694 40.862 -15.915 1.000 75 HD22 LEU 694 HD22 LEU 694 41.952 -14.576 1.353 76 HD23 LEU 694 HD23 LEU 694 42.144 -16.114 2.193 77 H VAL 695 HN VAL 695 43.329 -14.064 -3.769 78 HA VAL 695 HA VAL 695 44.083 -11.348 -3.359 79 HB VAL 695 HB VAL 695 43.953 -13.050 -5.863 80 HG11 VAL 695 HG11 VAL 695 44.840 -10.205 -5.398 81 HG12 VAL 695 HG12 VAL 695 43.784 -10.831 -6.665 82 HG13 VAL 695 HG13 VAL 695 45.516 -11.166 -6.713 83 HG21 VAL 695 HG21 VAL 695 45.629 -13.428 -3.854 84 HG22 VAL 695 HG22 VAL 695 46.437 -12.008 -4.519 85 HG23 VAL 695 HG23 VAL 695 46.235 -13.452 -5.510 86 H VAL 696 HN VAL 696 41.508 -12.927 -5.132 87 HA VAL 696 HA VAL 696 40.340 -10.585 -6.241 88 HB VAL 696 HB VAL 696 39.192 -13.329 -5.672 89 HG11 VAL 696 HG11 VAL 696 37.266 -12.021 -5.768 90 HG12 VAL 696 HG12 VAL 696 37.500 -12.410 -7.473 91 HG13 VAL 696 HG13 VAL 696 38.001 -10.837 -6.849 92 HG21 VAL 696 HG21 VAL 696 41.058 -12.575 -7.526 93 HG22 VAL 696 HG22 VAL 696 39.565 -12.320 -8.430 94 HG23 VAL 696 HG23 VAL 696 39.929 -13.909 -7.753 95 H LEU 697 HN LEU 697 39.845 -12.398 -3.229 96 HA LEU 697 HA LEU 697 37.509 -11.037 -2.399 97 HB2 LEU 697 HB2 LEU 697 38.223 -13.164 -1.401 98 HB3 LEU 697 HB1 LEU 697 39.652 -12.384 -0.727 99 HG LEU 697 HG LEU 697 38.228 -10.912 0.640 100 HD11 LEU 697 HD11 LEU 697 36.226 -10.548 -0.477 101 HD12 LEU 697 HD12 LEU 697 35.714 -11.759 0.697 102 HD13 LEU 697 HD13 LEU 697 36.070 -12.236 -0.964 103 HD21 LEU 697 HD21 LEU 697 37.617 -13.872 0.815 104 HD22 LEU 697 HD22 LEU 697 37.219 -12.714 2.084 105 HD23 LEU 697 HD23 LEU 697 38.903 -12.997 1.645 106 H LEU 698 HN LEU 698 40.941 -10.361 -1.760 107 HA LEU 698 HA LEU 698 40.468 -8.195 0.037 108 HB2 LEU 698 HB2 LEU 698 42.835 -9.160 -1.529 109 HB3 LEU 698 HB1 LEU 698 42.882 -7.536 -0.855 110 HG LEU 698 HG LEU 698 43.828 -9.493 0.574 111 HD11 LEU 698 HD11 LEU 698 42.350 -8.395 2.595 112 HD12 LEU 698 HD12 LEU 698 42.154 -7.185 1.328 113 HD13 LEU 698 HD13 LEU 698 43.769 -7.640 1.872 114 HD21 LEU 698 HD21 LEU 698 42.376 -10.893 1.732 115 HD22 LEU 698 HD22 LEU 698 41.567 -10.802 0.179 116 HD23 LEU 698 HD23 LEU 698 40.994 -9.826 1.525 117 H SER 699 HN SER 699 40.988 -8.427 -3.449 118 HA SER 699 HA SER 699 41.005 -5.660 -3.981 119 HB2 SER 699 HB2 SER 699 40.430 -6.370 -6.311 120 HB3 SER 699 HB1 SER 699 41.792 -7.260 -5.630 121 HG SER 699 HG SER 699 40.145 -8.849 -4.979 122 H VAL 700 HN VAL 700 38.443 -8.017 -3.568 123 HA VAL 700 HA VAL 700 36.298 -6.391 -4.534 124 HB VAL 700 HB VAL 700 36.348 -8.744 -2.625 125 HG11 VAL 700 HG11 VAL 700 34.074 -7.108 -3.750 126 HG12 VAL 700 HG12 VAL 700 34.343 -7.608 -2.080 127 HG13 VAL 700 HG13 VAL 700 33.847 -8.795 -3.287 128 HG21 VAL 700 HG21 VAL 700 36.242 -10.037 -4.483 129 HG22 VAL 700 HG22 VAL 700 36.733 -8.599 -5.378 130 HG23 VAL 700 HG23 VAL 700 35.023 -9.001 -5.224 131 H MET 701 HN MET 701 37.680 -7.022 -1.345 132 HA MET 701 HA MET 701 35.896 -5.434 0.146 133 HB2 MET 701 HB2 MET 701 37.446 -7.066 1.175 134 HB3 MET 701 HB1 MET 701 38.812 -6.049 0.713 135 HG2 MET 701 HG2 MET 701 37.960 -4.222 2.103 136 HG3 MET 701 HG1 MET 701 36.536 -5.175 2.519 137 HE1 MET 701 HE1 MET 701 39.026 -3.743 4.248 138 HE2 MET 701 HE2 MET 701 40.184 -4.377 3.082 139 HE3 MET 701 HE3 MET 701 40.281 -4.876 4.770 140 H GLY 702 HN GLY 702 38.902 -4.723 -1.561 141 HA2 GLY 702 HA2 GLY 702 39.214 -2.050 -0.643 142 HA3 GLY 702 HA1 GLY 702 39.902 -2.715 -2.125 143 H ALA 703 HN ALA 703 37.543 -3.455 -3.439 144 HA ALA 703 HA ALA 703 36.804 -1.039 -4.688 145 HB1 ALA 703 HB1 ALA 703 35.361 -3.702 -4.714 146 HB2 ALA 703 HB2 ALA 703 36.671 -3.235 -5.800 147 HB3 ALA 703 HB3 ALA 703 35.126 -2.387 -5.865 148 H ILE 704 HN ILE 704 35.195 -2.997 -2.202 149 HA ILE 704 HA ILE 704 32.764 -1.568 -2.149 150 HB ILE 704 HB ILE 704 34.194 -3.169 -0.018 151 HG12 ILE 704 HG12 ILE 704 31.737 -3.831 -1.663 152 HG13 ILE 704 HG11 ILE 704 33.368 -4.294 -2.149 153 HG21 ILE 704 HG21 ILE 704 31.819 -3.225 0.980 154 HG22 ILE 704 HG22 ILE 704 31.484 -1.831 -0.046 155 HG23 ILE 704 HG23 ILE 704 32.735 -1.734 1.194 156 HD11 ILE 704 HD11 ILE 704 32.682 -4.964 0.645 157 HD12 ILE 704 HD12 ILE 704 33.502 -5.936 -0.576 158 HD13 ILE 704 HD13 ILE 704 31.742 -5.830 -0.570 159 H LEU 705 HN LEU 705 35.787 -1.165 -0.318 160 HA LEU 705 HA LEU 705 34.892 0.914 1.362 161 HB2 LEU 705 HB2 LEU 705 37.647 0.202 0.344 162 HB3 LEU 705 HB1 LEU 705 37.361 1.458 1.546 163 HG LEU 705 HG LEU 705 36.428 -1.415 1.840 164 HD11 LEU 705 HD11 LEU 705 38.330 -1.315 3.654 165 HD12 LEU 705 HD12 LEU 705 38.974 -0.034 2.629 166 HD13 LEU 705 HD13 LEU 705 38.742 -1.655 1.973 167 HD21 LEU 705 HD21 LEU 705 35.174 -0.462 3.473 168 HD22 LEU 705 HD22 LEU 705 36.058 1.060 3.389 169 HD23 LEU 705 HD23 LEU 705 36.691 -0.273 4.350 170 H LEU 706 HN LEU 706 36.444 0.992 -1.845 171 HA LEU 706 HA LEU 706 36.716 3.788 -2.017 172 HB2 LEU 706 HB2 LEU 706 37.874 2.249 -3.540 173 HB3 LEU 706 HB1 LEU 706 36.331 1.741 -4.220 174 HG LEU 706 HG LEU 706 35.916 4.017 -5.048 175 HD11 LEU 706 HD11 LEU 706 38.085 5.530 -4.910 176 HD12 LEU 706 HD12 LEU 706 38.395 4.580 -3.458 177 HD13 LEU 706 HD13 LEU 706 36.914 5.528 -3.591 178 HD21 LEU 706 HD21 LEU 706 37.494 3.989 -6.822 179 HD22 LEU 706 HD22 LEU 706 37.368 2.306 -6.308 180 HD23 LEU 706 HD23 LEU 706 38.747 3.281 -5.802 181 H ILE 707 HN ILE 707 34.084 1.609 -2.966 182 HA ILE 707 HA ILE 707 32.453 3.552 -4.206 183 HB ILE 707 HB ILE 707 31.766 0.935 -2.861 184 HG12 ILE 707 HG12 ILE 707 31.824 1.687 -5.795 185 HG13 ILE 707 HG11 ILE 707 33.210 0.988 -4.961 186 HG21 ILE 707 HG21 ILE 707 29.741 2.175 -2.803 187 HG22 ILE 707 HG22 ILE 707 29.634 1.219 -4.281 188 HG23 ILE 707 HG23 ILE 707 30.064 2.927 -4.366 189 HD11 ILE 707 HD11 ILE 707 32.270 -1.085 -4.874 190 HD12 ILE 707 HD12 ILE 707 31.261 -0.483 -6.190 191 HD13 ILE 707 HD13 ILE 707 30.663 -0.442 -4.531 192 H GLY 708 HN GLY 708 32.586 2.397 -0.854 193 HA2 GLY 708 HA2 GLY 708 30.382 3.949 0.073 194 HA3 GLY 708 HA1 GLY 708 31.615 3.198 1.082 195 H LEU 709 HN LEU 709 33.891 4.405 0.101 196 HA LEU 709 HA LEU 709 33.902 6.900 1.441 197 HB2 LEU 709 HB2 LEU 709 35.925 5.483 -0.297 198 HB3 LEU 709 HB1 LEU 709 36.253 7.012 0.512 199 HG LEU 709 HG LEU 709 35.318 4.509 1.945 200 HD11 LEU 709 HD11 LEU 709 37.655 4.272 2.689 201 HD12 LEU 709 HD12 LEU 709 38.115 5.649 1.689 202 HD13 LEU 709 HD13 LEU 709 37.540 4.164 0.932 203 HD21 LEU 709 HD21 LEU 709 36.025 7.294 2.770 204 HD22 LEU 709 HD22 LEU 709 36.561 5.984 3.819 205 HD23 LEU 709 HD23 LEU 709 34.846 6.179 3.460 206 H ALA 710 HN ALA 710 33.820 5.895 -1.933 207 HA ALA 710 HA ALA 710 34.497 8.060 -3.359 208 HB1 ALA 710 HB1 ALA 710 33.670 6.621 -4.864 209 HB2 ALA 710 HB2 ALA 710 32.130 7.445 -4.619 210 HB3 ALA 710 HB3 ALA 710 32.494 5.968 -3.727 211 HA PRO 711 HA PRO 711 30.368 10.451 -2.893 212 HB2 PRO 711 HB2 PRO 711 28.721 9.680 -0.814 213 HB3 PRO 711 HB1 PRO 711 28.527 9.160 -2.499 214 HG2 PRO 711 HG2 PRO 711 29.769 7.726 -0.208 215 HG3 PRO 711 HG1 PRO 711 28.745 7.100 -1.514 216 HD2 PRO 711 HD2 PRO 711 31.431 6.768 -1.519 217 HD3 PRO 711 HD1 PRO 711 30.508 6.972 -3.020 218 H LEU 712 HN LEU 712 31.913 9.204 0.049 219 HA LEU 712 HA LEU 712 31.419 11.486 1.667 220 HB2 LEU 712 HB2 LEU 712 33.564 9.356 1.781 221 HB3 LEU 712 HB1 LEU 712 33.389 10.619 2.995 222 HG LEU 712 HG LEU 712 31.171 8.705 2.209 223 HD11 LEU 712 HD11 LEU 712 32.450 7.193 3.326 224 HD12 LEU 712 HD12 LEU 712 31.854 8.031 4.759 225 HD13 LEU 712 HD13 LEU 712 33.434 8.441 4.091 226 HD21 LEU 712 HD21 LEU 712 31.441 10.967 4.145 227 HD22 LEU 712 HD22 LEU 712 30.535 9.554 4.679 228 HD23 LEU 712 HD23 LEU 712 30.032 10.427 3.233 229 H LEU 713 HN LEU 713 34.113 10.509 -0.453 230 HA LEU 713 HA LEU 713 35.686 12.814 0.052 231 HB2 LEU 713 HB2 LEU 713 35.645 10.743 -2.115 232 HB3 LEU 713 HB1 LEU 713 36.605 12.204 -2.330 233 HG LEU 713 HG LEU 713 37.746 11.745 -0.165 234 HD11 LEU 713 HD11 LEU 713 37.459 9.467 0.820 235 HD12 LEU 713 HD12 LEU 713 36.107 9.203 -0.276 236 HD13 LEU 713 HD13 LEU 713 36.009 10.459 0.958 237 HD21 LEU 713 HD21 LEU 713 38.404 9.220 -1.267 238 HD22 LEU 713 HD22 LEU 713 39.241 10.751 -1.518 239 HD23 LEU 713 HD23 LEU 713 37.958 10.257 -2.622 240 H ILE 714 HN ILE 714 33.238 12.039 -2.398 241 HA ILE 714 HA ILE 714 33.498 14.456 -3.854 242 HB ILE 714 HB ILE 714 31.161 12.563 -3.522 243 HG12 ILE 714 HG12 ILE 714 33.021 12.997 -5.875 244 HG13 ILE 714 HG11 ILE 714 33.305 11.769 -4.640 245 HG21 ILE 714 HG21 ILE 714 30.738 13.879 -5.873 246 HG22 ILE 714 HG22 ILE 714 31.425 15.173 -4.892 247 HG23 ILE 714 HG23 ILE 714 29.975 14.328 -4.348 248 HD11 ILE 714 HD11 ILE 714 31.263 10.632 -5.175 249 HD12 ILE 714 HD12 ILE 714 32.067 10.959 -6.711 250 HD13 ILE 714 HD13 ILE 714 30.714 11.965 -6.192 251 H TRP 715 HN TRP 715 31.355 13.493 -1.154 252 HA TRP 715 HA TRP 715 30.002 15.978 -0.999 253 HB2 TRP 715 HB2 TRP 715 29.451 13.633 0.064 254 HB3 TRP 715 HB1 TRP 715 30.443 14.219 1.396 255 HD1 TRP 715 HD1 TRP 715 27.700 15.898 -0.791 256 HE1 TRP 715 HE1 TRP 715 26.038 17.068 0.791 257 HE3 TRP 715 HE3 TRP 715 29.743 14.650 3.724 258 HZ2 TRP 715 HZ2 TRP 715 25.620 17.421 3.597 259 HZ3 TRP 715 HZ3 TRP 715 28.687 15.411 5.833 260 HH2 TRP 715 HH2 TRP 715 26.630 16.794 5.775 261 H ALA 716 HN ALA 716 32.783 14.599 0.719 262 HA ALA 716 HA ALA 716 33.283 16.769 2.422 263 HB1 ALA 716 HB1 ALA 716 35.265 14.820 1.219 264 HB2 ALA 716 HB2 ALA 716 34.345 14.566 2.701 265 HB3 ALA 716 HB3 ALA 716 35.554 15.848 2.622 266 H LEU 717 HN LEU 717 34.477 16.076 -0.861 267 HA LEU 717 HA LEU 717 36.192 18.293 -1.055 268 HB2 LEU 717 HB2 LEU 717 34.807 16.547 -3.070 269 HB3 LEU 717 HB1 LEU 717 35.748 17.943 -3.588 270 HG LEU 717 HG LEU 717 36.832 15.777 -1.761 271 HD11 LEU 717 HD11 LEU 717 36.862 14.473 -3.605 272 HD12 LEU 717 HD12 LEU 717 38.116 15.556 -4.208 273 HD13 LEU 717 HD13 LEU 717 36.432 15.820 -4.659 274 HD21 LEU 717 HD21 LEU 717 38.880 17.024 -3.221 275 HD22 LEU 717 HD22 LEU 717 38.515 17.263 -1.514 276 HD23 LEU 717 HD23 LEU 717 37.825 18.344 -2.721 277 H LEU 718 HN LEU 718 32.760 17.842 -1.943 278 HA LEU 718 HA LEU 718 32.448 20.450 -3.021 279 HB2 LEU 718 HB2 LEU 718 30.468 18.497 -1.840 280 HB3 LEU 718 HB1 LEU 718 29.985 20.037 -2.547 281 HG LEU 718 HG LEU 718 31.637 17.955 -4.011 282 HD11 LEU 718 HD11 LEU 718 28.713 18.232 -3.601 283 HD12 LEU 718 HD12 LEU 718 29.668 16.798 -3.979 284 HD13 LEU 718 HD13 LEU 718 29.233 17.931 -5.259 285 HD21 LEU 718 HD21 LEU 718 31.952 19.703 -5.416 286 HD22 LEU 718 HD22 LEU 718 30.737 20.687 -4.604 287 HD23 LEU 718 HD23 LEU 718 30.251 19.525 -5.837 288 H ILE 719 HN ILE 719 31.911 19.085 0.211 289 HA ILE 719 HA ILE 719 31.001 21.491 1.410 290 HB ILE 719 HB ILE 719 32.270 19.014 2.593 291 HG12 ILE 719 HG12 ILE 719 29.406 19.997 2.714 292 HG13 ILE 719 HG11 ILE 719 29.981 18.879 1.477 293 HG21 ILE 719 HG21 ILE 719 31.500 21.621 3.776 294 HG22 ILE 719 HG22 ILE 719 32.648 20.415 4.357 295 HG23 ILE 719 HG23 ILE 719 30.921 20.196 4.637 296 HD11 ILE 719 HD11 ILE 719 30.418 18.326 4.410 297 HD12 ILE 719 HD12 ILE 719 30.464 17.192 3.062 298 HD13 ILE 719 HD13 ILE 719 28.922 17.858 3.603 299 H THR 720 HN THR 720 34.150 19.881 1.170 300 HA THR 720 HA THR 720 35.582 21.842 2.665 301 HB THR 720 HB THR 720 36.553 19.984 0.478 302 HG1 THR 720 HG1 THR 720 35.596 19.365 2.740 303 HG21 THR 720 HG21 THR 720 37.957 21.788 2.438 304 HG22 THR 720 HG22 THR 720 38.222 21.628 0.703 305 HG23 THR 720 HG23 THR 720 38.752 20.350 1.797 306 H ILE 721 HN ILE 721 34.893 21.377 -0.787 307 HA ILE 721 HA ILE 721 36.344 23.677 -1.665 308 HB ILE 721 HB ILE 721 34.066 22.142 -2.915 309 HG12 ILE 721 HG12 ILE 721 36.586 21.316 -2.568 310 HG13 ILE 721 HG11 ILE 721 35.712 20.972 -4.062 311 HG21 ILE 721 HG21 ILE 721 33.845 24.289 -3.876 312 HG22 ILE 721 HG22 ILE 721 34.863 23.414 -5.018 313 HG23 ILE 721 HG23 ILE 721 35.587 24.560 -3.888 314 HD11 ILE 721 HD11 ILE 721 36.826 22.704 -5.233 315 HD12 ILE 721 HD12 ILE 721 38.093 21.956 -4.264 316 HD13 ILE 721 HD13 ILE 721 37.372 23.477 -3.745 317 H HIS 722 HN HIS 722 32.952 23.207 -0.770 318 HA HIS 722 HA HIS 722 32.030 25.785 -1.421 319 HB2 HIS 722 HB2 HIS 722 31.099 23.586 0.357 320 HB3 HIS 722 HB1 HIS 722 30.419 25.189 0.630 321 HD1 HIS 722 HD1 HIS 722 30.715 22.524 -2.034 322 HD2 HIS 722 HD2 HIS 722 28.643 26.078 -1.362 323 HE1 HIS 722 HE1 HIS 722 28.974 22.696 -3.867 324 H ASP 723 HN ASP 723 33.545 24.517 1.517 325 HA ASP 723 HA ASP 723 33.233 26.921 3.046 326 HB2 ASP 723 HB2 ASP 723 33.562 24.733 4.119 327 HB3 ASP 723 HB1 ASP 723 35.167 24.618 3.401 328 H ARG 724 HN ARG 724 35.879 25.527 1.110 329 HA ARG 724 HA ARG 724 37.152 28.199 1.109 330 HB2 ARG 724 HB2 ARG 724 38.488 25.507 1.444 331 HB3 ARG 724 HB1 ARG 724 39.361 26.991 1.060 332 HG2 ARG 724 HG2 ARG 724 38.521 28.041 3.113 333 HG3 ARG 724 HG1 ARG 724 37.597 26.587 3.494 334 HD2 ARG 724 HD2 ARG 724 39.684 25.282 3.603 335 HD3 ARG 724 HD1 ARG 724 40.612 26.728 3.214 336 HE ARG 724 HE ARG 724 39.072 27.334 5.463 337 HH11 ARG 724 HH21 ARG 724 41.569 25.136 4.506 338 HH12 ARG 724 HH22 ARG 724 42.264 25.022 6.088 339 HH21 ARG 724 HH11 ARG 724 39.978 27.188 7.540 340 HH22 ARG 724 HH12 ARG 724 41.364 26.183 7.806 341 H LYS 725 HN LYS 725 37.958 28.894 -0.817 342 HA LYS 725 HA LYS 725 36.976 27.751 -3.208 343 HB2 LYS 725 HB2 LYS 725 39.136 29.810 -2.717 344 HB3 LYS 725 HB1 LYS 725 38.528 29.389 -4.318 345 HG2 LYS 725 HG2 LYS 725 36.252 30.031 -3.639 346 HG3 LYS 725 HG1 LYS 725 36.838 30.426 -2.023 347 HD2 LYS 725 HD2 LYS 725 38.356 32.127 -3.014 348 HD3 LYS 725 HD1 LYS 725 37.691 31.765 -4.607 349 HE2 LYS 725 HE2 LYS 725 36.033 32.695 -2.246 350 HE3 LYS 725 HE1 LYS 725 36.628 33.762 -3.519 351 HZ1 LYS 725 HZ1 LYS 725 34.932 31.375 -3.999 352 HZ2 LYS 725 HZ2 LYS 725 35.401 32.540 -5.143 353 HZ3 LYS 725 HZ3 LYS 725 34.336 32.958 -3.886 354 H GLU 726 HN GLU 726 40.165 27.657 -1.662 355 HA GLU 726 HA GLU 726 40.843 25.357 -3.374 356 HB2 GLU 726 HB2 GLU 726 43.109 26.202 -3.690 357 HB3 GLU 726 HB1 GLU 726 41.942 27.373 -4.299 358 HG2 GLU 726 HG2 GLU 726 42.116 28.635 -2.170 359 HG3 GLU 726 HG1 GLU 726 43.330 27.487 -1.604 360 H PHE 727 HN PHE 727 42.200 23.821 -2.433 361 HA PHE 727 HA PHE 727 41.895 23.135 0.173 362 HB2 PHE 727 HB2 PHE 727 44.345 22.728 -1.555 363 HB3 PHE 727 HB1 PHE 727 44.079 21.909 -0.016 364 HD1 PHE 727 HD1 PHE 727 42.184 20.329 0.260 365 HD2 PHE 727 HD2 PHE 727 43.105 22.123 -3.533 366 HE1 PHE 727 HE1 PHE 727 40.770 18.641 -0.881 367 HE2 PHE 727 HE2 PHE 727 41.691 20.435 -4.675 368 HZ PHE 727 HZ PHE 727 40.525 18.694 -3.349 Start of MODEL 15 1 H2 PRO 685 HT1 PRO 685 60.027 -17.461 -4.607 2 H3 PRO 685 HT2 PRO 685 59.824 -19.135 -4.387 3 HA PRO 685 HA PRO 685 59.712 -18.828 -2.216 4 HB2 PRO 685 HB2 PRO 685 62.231 -17.387 -1.833 5 HB3 PRO 685 HB1 PRO 685 61.784 -19.021 -1.306 6 HG2 PRO 685 HG2 PRO 685 63.560 -18.516 -3.298 7 HG3 PRO 685 HG1 PRO 685 62.587 -19.991 -3.191 8 HD2 PRO 685 HD2 PRO 685 62.229 -17.623 -4.987 9 HD3 PRO 685 HD1 PRO 685 61.855 -19.333 -5.287 10 H GLU 686 HN GLU 686 60.818 -15.987 -3.983 11 HA GLU 686 HA GLU 686 60.179 -14.050 -2.010 12 HB2 GLU 686 HB2 GLU 686 61.656 -13.611 -3.960 13 HB3 GLU 686 HB1 GLU 686 60.259 -13.743 -5.026 14 HG2 GLU 686 HG2 GLU 686 60.630 -11.399 -4.609 15 HG3 GLU 686 HG1 GLU 686 59.189 -11.859 -3.711 16 H SER 687 HN SER 687 58.349 -15.528 -4.648 17 HA SER 687 HA SER 687 55.868 -14.581 -3.399 18 HB2 SER 687 HB2 SER 687 56.584 -14.137 -6.305 19 HB3 SER 687 HB1 SER 687 54.973 -13.914 -5.628 20 HG SER 687 HG SER 687 55.611 -12.060 -4.892 21 HA PRO 688 HA PRO 688 55.871 -19.060 -4.707 22 HB2 PRO 688 HB2 PRO 688 54.332 -19.301 -2.193 23 HB3 PRO 688 HB1 PRO 688 55.743 -20.221 -2.743 24 HG2 PRO 688 HG2 PRO 688 55.891 -18.408 -0.772 25 HG3 PRO 688 HG1 PRO 688 57.230 -18.711 -1.892 26 HD2 PRO 688 HD2 PRO 688 55.305 -16.419 -1.836 27 HD3 PRO 688 HD1 PRO 688 57.026 -16.438 -2.282 28 H LYS 689 HN LYS 689 54.177 -20.141 -5.683 29 HA LYS 689 HA LYS 689 51.846 -18.645 -6.348 30 HB2 LYS 689 HB2 LYS 689 52.901 -20.336 -7.845 31 HB3 LYS 689 HB1 LYS 689 52.356 -21.600 -6.743 32 HG2 LYS 689 HG2 LYS 689 50.020 -20.934 -7.090 33 HG3 LYS 689 HG1 LYS 689 50.540 -19.622 -8.148 34 HD2 LYS 689 HD2 LYS 689 51.543 -21.257 -9.696 35 HD3 LYS 689 HD1 LYS 689 51.015 -22.575 -8.649 36 HE2 LYS 689 HE2 LYS 689 48.668 -21.898 -8.969 37 HE3 LYS 689 HE1 LYS 689 49.186 -20.570 -10.008 38 HZ1 LYS 689 HZ1 LYS 689 50.082 -22.121 -11.569 39 HZ2 LYS 689 HZ2 LYS 689 48.481 -22.580 -11.232 40 HZ3 LYS 689 HZ3 LYS 689 49.776 -23.431 -10.537 41 H GLY 690 HN GLY 690 49.854 -18.640 -5.476 42 HA2 GLY 690 HA2 GLY 690 49.086 -20.753 -3.591 43 HA3 GLY 690 HA1 GLY 690 49.085 -19.092 -3.004 44 HA PRO 691 HA PRO 691 44.911 -20.171 -4.887 45 HB2 PRO 691 HB2 PRO 691 43.957 -18.776 -2.458 46 HB3 PRO 691 HB1 PRO 691 43.468 -20.345 -3.121 47 HG2 PRO 691 HG2 PRO 691 44.950 -20.125 -0.896 48 HG3 PRO 691 HG1 PRO 691 45.125 -21.476 -2.029 49 HD2 PRO 691 HD2 PRO 691 46.897 -19.091 -1.653 50 HD3 PRO 691 HD1 PRO 691 47.325 -20.765 -2.072 51 H ASP 692 HN ASP 692 43.656 -18.734 -6.052 52 HA ASP 692 HA ASP 692 44.531 -15.923 -6.005 53 HB2 ASP 692 HB2 ASP 692 42.996 -17.540 -8.049 54 HB3 ASP 692 HB1 ASP 692 43.280 -15.807 -8.189 55 H ILE 693 HN ILE 693 42.145 -17.818 -4.718 56 HA ILE 693 HA ILE 693 39.800 -16.280 -5.084 57 HB ILE 693 HB ILE 693 40.623 -18.220 -2.912 58 HG12 ILE 693 HG12 ILE 693 38.627 -18.525 -5.173 59 HG13 ILE 693 HG11 ILE 693 40.312 -19.028 -5.306 60 HG21 ILE 693 HG21 ILE 693 38.081 -18.251 -2.520 61 HG22 ILE 693 HG22 ILE 693 38.040 -16.731 -3.414 62 HG23 ILE 693 HG23 ILE 693 38.957 -16.846 -1.913 63 HD11 ILE 693 HD11 ILE 693 38.233 -20.575 -4.298 64 HD12 ILE 693 HD12 ILE 693 39.058 -19.997 -2.849 65 HD13 ILE 693 HD13 ILE 693 39.954 -20.891 -4.078 66 H LEU 694 HN LEU 694 42.309 -16.346 -2.619 67 HA LEU 694 HA LEU 694 41.175 -14.422 -0.895 68 HB2 LEU 694 HB2 LEU 694 43.950 -15.488 -1.335 69 HB3 LEU 694 HB1 LEU 694 43.693 -14.110 -0.265 70 HG LEU 694 HG LEU 694 42.050 -15.422 1.033 71 HD11 LEU 694 HD11 LEU 694 41.072 -16.996 -0.352 72 HD12 LEU 694 HD12 LEU 694 42.266 -18.013 0.453 73 HD13 LEU 694 HD13 LEU 694 42.590 -17.383 -1.161 74 HD21 LEU 694 HD21 LEU 694 44.596 -15.477 1.447 75 HD22 LEU 694 HD22 LEU 694 44.556 -17.082 0.718 76 HD23 LEU 694 HD23 LEU 694 43.637 -16.758 2.188 77 H VAL 695 HN VAL 695 43.325 -14.207 -3.692 78 HA VAL 695 HA VAL 695 43.915 -11.440 -3.477 79 HB VAL 695 HB VAL 695 43.859 -13.305 -5.860 80 HG11 VAL 695 HG11 VAL 695 44.570 -10.393 -5.597 81 HG12 VAL 695 HG12 VAL 695 43.675 -11.206 -6.881 82 HG13 VAL 695 HG13 VAL 695 45.424 -11.404 -6.762 83 HG21 VAL 695 HG21 VAL 695 45.518 -13.539 -3.851 84 HG22 VAL 695 HG22 VAL 695 46.275 -12.098 -4.528 85 HG23 VAL 695 HG23 VAL 695 46.162 -13.570 -5.493 86 H VAL 696 HN VAL 696 41.458 -13.251 -5.231 87 HA VAL 696 HA VAL 696 40.193 -11.035 -6.450 88 HB VAL 696 HB VAL 696 39.164 -13.787 -5.718 89 HG11 VAL 696 HG11 VAL 696 37.904 -11.499 -7.239 90 HG12 VAL 696 HG12 VAL 696 37.223 -12.424 -5.900 91 HG13 VAL 696 HG13 VAL 696 37.404 -13.172 -7.487 92 HG21 VAL 696 HG21 VAL 696 40.032 -14.468 -7.702 93 HG22 VAL 696 HG22 VAL 696 41.000 -12.995 -7.632 94 HG23 VAL 696 HG23 VAL 696 39.485 -13.011 -8.533 95 H LEU 697 HN LEU 697 39.663 -12.794 -3.410 96 HA LEU 697 HA LEU 697 37.329 -11.465 -2.601 97 HB2 LEU 697 HB2 LEU 697 38.113 -13.530 -1.570 98 HB3 LEU 697 HB1 LEU 697 39.530 -12.698 -0.935 99 HG LEU 697 HG LEU 697 38.101 -11.261 0.452 100 HD11 LEU 697 HD11 LEU 697 35.602 -12.109 0.538 101 HD12 LEU 697 HD12 LEU 697 35.938 -12.634 -1.111 102 HD13 LEU 697 HD13 LEU 697 36.091 -10.930 -0.679 103 HD21 LEU 697 HD21 LEU 697 37.101 -14.083 0.817 104 HD22 LEU 697 HD22 LEU 697 37.498 -12.889 2.054 105 HD23 LEU 697 HD23 LEU 697 38.785 -13.660 1.129 106 H LEU 698 HN LEU 698 40.716 -10.685 -1.997 107 HA LEU 698 HA LEU 698 40.266 -8.532 -0.214 108 HB2 LEU 698 HB2 LEU 698 42.629 -9.272 -1.939 109 HB3 LEU 698 HB1 LEU 698 42.644 -7.894 -0.842 110 HG LEU 698 HG LEU 698 41.968 -10.720 0.031 111 HD11 LEU 698 HD11 LEU 698 44.587 -9.277 -0.199 112 HD12 LEU 698 HD12 LEU 698 44.211 -10.968 -0.530 113 HD13 LEU 698 HD13 LEU 698 44.341 -10.403 1.136 114 HD21 LEU 698 HD21 LEU 698 41.984 -8.090 1.327 115 HD22 LEU 698 HD22 LEU 698 42.987 -9.267 2.172 116 HD23 LEU 698 HD23 LEU 698 41.284 -9.610 1.879 117 H SER 699 HN SER 699 40.778 -8.730 -3.694 118 HA SER 699 HA SER 699 40.902 -5.994 -4.247 119 HB2 SER 699 HB2 SER 699 40.296 -6.696 -6.555 120 HB3 SER 699 HB1 SER 699 41.581 -7.679 -5.855 121 HG SER 699 HG SER 699 39.913 -9.182 -5.248 122 H VAL 700 HN VAL 700 38.106 -8.176 -3.979 123 HA VAL 700 HA VAL 700 36.242 -6.165 -4.891 124 HB VAL 700 HB VAL 700 34.476 -7.660 -3.903 125 HG11 VAL 700 HG11 VAL 700 34.766 -8.157 -6.133 126 HG12 VAL 700 HG12 VAL 700 35.350 -9.674 -5.451 127 HG13 VAL 700 HG13 VAL 700 36.499 -8.433 -5.952 128 HG21 VAL 700 HG21 VAL 700 36.878 -9.388 -3.346 129 HG22 VAL 700 HG22 VAL 700 35.202 -9.878 -3.132 130 HG23 VAL 700 HG23 VAL 700 35.894 -8.617 -2.110 131 H MET 701 HN MET 701 37.391 -7.274 -1.754 132 HA MET 701 HA MET 701 35.680 -5.721 -0.159 133 HB2 MET 701 HB2 MET 701 37.120 -7.541 0.724 134 HB3 MET 701 HB1 MET 701 38.542 -6.553 0.396 135 HG2 MET 701 HG2 MET 701 37.721 -4.822 1.937 136 HG3 MET 701 HG1 MET 701 36.266 -5.771 2.242 137 HE1 MET 701 HE1 MET 701 39.777 -4.947 3.160 138 HE2 MET 701 HE2 MET 701 40.181 -6.254 2.050 139 HE3 MET 701 HE3 MET 701 40.521 -6.432 3.770 140 H GLY 702 HN GLY 702 38.767 -5.071 -1.745 141 HA2 GLY 702 HA2 GLY 702 39.264 -2.494 -0.640 142 HA3 GLY 702 HA1 GLY 702 39.934 -3.113 -2.142 143 H ALA 703 HN ALA 703 37.552 -3.578 -3.533 144 HA ALA 703 HA ALA 703 37.049 -1.024 -4.617 145 HB1 ALA 703 HB1 ALA 703 34.976 -3.083 -5.031 146 HB2 ALA 703 HB2 ALA 703 36.612 -3.590 -5.442 147 HB3 ALA 703 HB3 ALA 703 35.904 -2.168 -6.218 148 H ILE 704 HN ILE 704 35.251 -3.018 -2.259 149 HA ILE 704 HA ILE 704 32.919 -1.430 -2.176 150 HB ILE 704 HB ILE 704 34.197 -3.204 -0.079 151 HG12 ILE 704 HG12 ILE 704 31.758 -3.666 -1.813 152 HG13 ILE 704 HG11 ILE 704 33.377 -4.176 -2.283 153 HG21 ILE 704 HG21 ILE 704 31.787 -1.464 0.003 154 HG22 ILE 704 HG22 ILE 704 32.788 -2.061 1.327 155 HG23 ILE 704 HG23 ILE 704 31.572 -3.110 0.605 156 HD11 ILE 704 HD11 ILE 704 31.636 -5.688 -0.793 157 HD12 ILE 704 HD12 ILE 704 32.637 -4.951 0.454 158 HD13 ILE 704 HD13 ILE 704 33.385 -5.906 -0.826 159 H LEU 705 HN LEU 705 35.903 -1.320 -0.243 160 HA LEU 705 HA LEU 705 35.130 0.729 1.510 161 HB2 LEU 705 HB2 LEU 705 37.151 -0.667 1.843 162 HB3 LEU 705 HB1 LEU 705 37.899 0.094 0.443 163 HG LEU 705 HG LEU 705 37.802 2.288 1.563 164 HD11 LEU 705 HD11 LEU 705 37.266 2.003 4.154 165 HD12 LEU 705 HD12 LEU 705 36.260 0.680 3.561 166 HD13 LEU 705 HD13 LEU 705 35.979 2.325 2.994 167 HD21 LEU 705 HD21 LEU 705 39.755 0.785 1.930 168 HD22 LEU 705 HD22 LEU 705 38.964 0.159 3.377 169 HD23 LEU 705 HD23 LEU 705 39.452 1.851 3.300 170 H LEU 706 HN LEU 706 36.759 0.889 -1.662 171 HA LEU 706 HA LEU 706 37.194 3.671 -1.681 172 HB2 LEU 706 HB2 LEU 706 38.302 2.164 -3.275 173 HB3 LEU 706 HB1 LEU 706 36.742 1.800 -4.018 174 HG LEU 706 HG LEU 706 36.480 4.131 -4.714 175 HD11 LEU 706 HD11 LEU 706 38.929 4.519 -3.021 176 HD12 LEU 706 HD12 LEU 706 37.494 5.535 -3.160 177 HD13 LEU 706 HD13 LEU 706 38.707 5.540 -4.441 178 HD21 LEU 706 HD21 LEU 706 39.188 2.951 -5.364 179 HD22 LEU 706 HD22 LEU 706 38.414 4.248 -6.277 180 HD23 LEU 706 HD23 LEU 706 37.672 2.649 -6.215 181 H ILE 707 HN ILE 707 34.466 1.723 -2.755 182 HA ILE 707 HA ILE 707 32.981 3.754 -4.010 183 HB ILE 707 HB ILE 707 32.102 1.137 -2.829 184 HG12 ILE 707 HG12 ILE 707 32.251 2.057 -5.698 185 HG13 ILE 707 HG11 ILE 707 33.603 1.264 -4.898 186 HG21 ILE 707 HG21 ILE 707 30.556 3.356 -4.133 187 HG22 ILE 707 HG22 ILE 707 30.100 2.354 -2.758 188 HG23 ILE 707 HG23 ILE 707 30.062 1.682 -4.391 189 HD11 ILE 707 HD11 ILE 707 30.844 0.038 -4.918 190 HD12 ILE 707 HD12 ILE 707 32.394 -0.753 -4.626 191 HD13 ILE 707 HD13 ILE 707 31.972 -0.216 -6.254 192 H GLY 708 HN GLY 708 32.983 2.669 -0.663 193 HA2 GLY 708 HA2 GLY 708 30.767 4.238 0.227 194 HA3 GLY 708 HA1 GLY 708 31.991 3.481 1.249 195 H LEU 709 HN LEU 709 34.280 4.694 0.331 196 HA LEU 709 HA LEU 709 34.212 7.186 1.683 197 HB2 LEU 709 HB2 LEU 709 36.308 5.574 0.319 198 HB3 LEU 709 HB1 LEU 709 36.616 7.291 0.594 199 HG LEU 709 HG LEU 709 36.213 7.057 2.964 200 HD11 LEU 709 HD11 LEU 709 35.915 4.539 3.739 201 HD12 LEU 709 HD12 LEU 709 35.200 4.363 2.140 202 HD13 LEU 709 HD13 LEU 709 34.517 5.512 3.286 203 HD21 LEU 709 HD21 LEU 709 37.865 4.623 2.576 204 HD22 LEU 709 HD22 LEU 709 38.249 6.122 3.423 205 HD23 LEU 709 HD23 LEU 709 38.384 6.043 1.667 206 H ALA 710 HN ALA 710 34.211 6.253 -1.727 207 HA ALA 710 HA ALA 710 34.982 8.669 -2.819 208 HB1 ALA 710 HB1 ALA 710 33.510 6.368 -3.795 209 HB2 ALA 710 HB2 ALA 710 34.668 7.409 -4.620 210 HB3 ALA 710 HB3 ALA 710 32.970 7.871 -4.548 211 HA PRO 711 HA PRO 711 30.397 10.385 -2.823 212 HB2 PRO 711 HB2 PRO 711 29.387 8.963 -0.413 213 HB3 PRO 711 HB1 PRO 711 28.531 9.409 -1.898 214 HG2 PRO 711 HG2 PRO 711 29.278 6.893 -1.359 215 HG3 PRO 711 HG1 PRO 711 29.202 7.541 -3.006 216 HD2 PRO 711 HD2 PRO 711 31.591 6.919 -1.354 217 HD3 PRO 711 HD1 PRO 711 31.406 6.974 -3.115 218 H LEU 712 HN LEU 712 31.835 9.293 0.247 219 HA LEU 712 HA LEU 712 31.214 11.634 1.728 220 HB2 LEU 712 HB2 LEU 712 33.318 9.493 2.101 221 HB3 LEU 712 HB1 LEU 712 33.060 10.803 3.251 222 HG LEU 712 HG LEU 712 30.883 8.890 2.351 223 HD11 LEU 712 HD11 LEU 712 31.175 7.792 4.534 224 HD12 LEU 712 HD12 LEU 712 32.532 8.858 4.896 225 HD13 LEU 712 HD13 LEU 712 32.656 7.689 3.581 226 HD21 LEU 712 HD21 LEU 712 30.234 9.909 4.838 227 HD22 LEU 712 HD22 LEU 712 29.596 10.496 3.305 228 HD23 LEU 712 HD23 LEU 712 30.980 11.295 4.046 229 H LEU 713 HN LEU 713 34.069 10.559 -0.111 230 HA LEU 713 HA LEU 713 35.648 12.843 0.454 231 HB2 LEU 713 HB2 LEU 713 35.700 10.852 -1.820 232 HB3 LEU 713 HB1 LEU 713 36.891 12.139 -1.644 233 HG LEU 713 HG LEU 713 36.277 10.116 0.532 234 HD11 LEU 713 HD11 LEU 713 38.526 9.146 -0.172 235 HD12 LEU 713 HD12 LEU 713 38.372 10.095 -1.650 236 HD13 LEU 713 HD13 LEU 713 37.185 8.846 -1.277 237 HD21 LEU 713 HD21 LEU 713 37.968 12.504 0.330 238 HD22 LEU 713 HD22 LEU 713 38.880 11.072 0.801 239 HD23 LEU 713 HD23 LEU 713 37.491 11.584 1.755 240 H ILE 714 HN ILE 714 33.426 12.024 -2.192 241 HA ILE 714 HA ILE 714 33.836 14.403 -3.679 242 HB ILE 714 HB ILE 714 31.478 12.509 -3.535 243 HG12 ILE 714 HG12 ILE 714 33.560 12.887 -5.705 244 HG13 ILE 714 HG11 ILE 714 33.724 11.694 -4.416 245 HG21 ILE 714 HG21 ILE 714 30.377 14.250 -4.519 246 HG22 ILE 714 HG22 ILE 714 31.284 13.762 -5.951 247 HG23 ILE 714 HG23 ILE 714 31.872 15.085 -4.944 248 HD11 ILE 714 HD11 ILE 714 32.223 10.299 -5.374 249 HD12 ILE 714 HD12 ILE 714 32.418 11.281 -6.825 250 HD13 ILE 714 HD13 ILE 714 31.096 11.613 -5.707 251 H TRP 715 HN TRP 715 31.454 13.477 -1.188 252 HA TRP 715 HA TRP 715 30.037 15.919 -1.196 253 HB2 TRP 715 HB2 TRP 715 29.079 13.955 -0.150 254 HB3 TRP 715 HB1 TRP 715 30.440 13.833 0.963 255 HD1 TRP 715 HD1 TRP 715 30.255 15.106 3.175 256 HE1 TRP 715 HE1 TRP 715 28.604 16.827 4.157 257 HE3 TRP 715 HE3 TRP 715 27.415 16.065 -0.961 258 HZ2 TRP 715 HZ2 TRP 715 26.372 18.400 3.301 259 HZ3 TRP 715 HZ3 TRP 715 25.536 17.677 -0.850 260 HH2 TRP 715 HH2 TRP 715 25.012 18.845 1.274 261 H ALA 716 HN ALA 716 32.746 14.693 0.731 262 HA ALA 716 HA ALA 716 33.068 16.906 2.406 263 HB1 ALA 716 HB1 ALA 716 35.171 15.002 1.343 264 HB2 ALA 716 HB2 ALA 716 34.212 14.778 2.806 265 HB3 ALA 716 HB3 ALA 716 35.384 16.093 2.712 266 H LEU 717 HN LEU 717 34.372 16.245 -0.833 267 HA LEU 717 HA LEU 717 36.052 18.493 -0.972 268 HB2 LEU 717 HB2 LEU 717 34.738 16.740 -3.032 269 HB3 LEU 717 HB1 LEU 717 35.658 18.162 -3.519 270 HG LEU 717 HG LEU 717 36.756 15.996 -1.698 271 HD11 LEU 717 HD11 LEU 717 36.638 16.235 -4.673 272 HD12 LEU 717 HD12 LEU 717 36.599 14.791 -3.659 273 HD13 LEU 717 HD13 LEU 717 38.127 15.619 -3.956 274 HD21 LEU 717 HD21 LEU 717 38.396 17.521 -1.392 275 HD22 LEU 717 HD22 LEU 717 37.713 18.598 -2.609 276 HD23 LEU 717 HD23 LEU 717 38.809 17.305 -3.092 277 H LEU 718 HN LEU 718 32.624 18.026 -1.922 278 HA LEU 718 HA LEU 718 32.340 20.666 -2.944 279 HB2 LEU 718 HB2 LEU 718 30.397 18.583 -1.983 280 HB3 LEU 718 HB1 LEU 718 29.835 20.228 -2.262 281 HG LEU 718 HG LEU 718 30.865 20.053 -4.595 282 HD11 LEU 718 HD11 LEU 718 30.783 17.085 -4.039 283 HD12 LEU 718 HD12 LEU 718 32.276 18.018 -3.985 284 HD13 LEU 718 HD13 LEU 718 31.370 17.895 -5.487 285 HD21 LEU 718 HD21 LEU 718 28.595 19.903 -4.775 286 HD22 LEU 718 HD22 LEU 718 28.476 18.649 -3.542 287 HD23 LEU 718 HD23 LEU 718 28.960 18.227 -5.185 288 H ILE 719 HN ILE 719 31.811 19.220 0.247 289 HA ILE 719 HA ILE 719 30.903 21.583 1.513 290 HB ILE 719 HB ILE 719 32.224 19.080 2.573 291 HG12 ILE 719 HG12 ILE 719 29.983 18.779 1.593 292 HG13 ILE 719 HG11 ILE 719 29.955 18.515 3.331 293 HG21 ILE 719 HG21 ILE 719 32.652 20.279 4.433 294 HG22 ILE 719 HG22 ILE 719 30.914 20.174 4.718 295 HG23 ILE 719 HG23 ILE 719 31.595 21.599 3.942 296 HD11 ILE 719 HD11 ILE 719 28.663 20.636 1.714 297 HD12 ILE 719 HD12 ILE 719 29.372 21.185 3.227 298 HD13 ILE 719 HD13 ILE 719 28.153 19.917 3.236 299 H THR 720 HN THR 720 34.077 20.030 1.172 300 HA THR 720 HA THR 720 35.489 22.028 2.642 301 HB THR 720 HB THR 720 36.598 20.324 0.404 302 HG1 THR 720 HG1 THR 720 35.365 19.359 2.344 303 HG21 THR 720 HG21 THR 720 37.737 22.308 1.999 304 HG22 THR 720 HG22 THR 720 38.609 21.089 1.070 305 HG23 THR 720 HG23 THR 720 38.227 20.798 2.767 306 H ILE 721 HN ILE 721 34.843 21.546 -0.830 307 HA ILE 721 HA ILE 721 36.293 23.856 -1.669 308 HB ILE 721 HB ILE 721 34.126 22.265 -3.020 309 HG12 ILE 721 HG12 ILE 721 37.069 22.532 -3.673 310 HG13 ILE 721 HG11 ILE 721 36.473 21.306 -2.563 311 HG21 ILE 721 HG21 ILE 721 35.183 23.547 -5.071 312 HG22 ILE 721 HG22 ILE 721 35.571 24.760 -3.851 313 HG23 ILE 721 HG23 ILE 721 33.893 24.298 -4.132 314 HD11 ILE 721 HD11 ILE 721 34.991 20.420 -4.326 315 HD12 ILE 721 HD12 ILE 721 36.671 20.416 -4.865 316 HD13 ILE 721 HD13 ILE 721 35.564 21.666 -5.434 317 H HIS 722 HN HIS 722 32.802 23.477 -0.984 318 HA HIS 722 HA HIS 722 32.165 26.129 -1.810 319 HB2 HIS 722 HB2 HIS 722 30.020 25.650 -1.262 320 HB3 HIS 722 HB1 HIS 722 30.617 23.998 -1.174 321 HD1 HIS 722 HD1 HIS 722 31.491 23.263 1.314 322 HD2 HIS 722 HD2 HIS 722 28.984 26.589 1.115 323 HE1 HIS 722 HE1 HIS 722 30.617 23.660 3.668 324 H ASP 723 HN ASP 723 33.331 24.752 1.166 325 HA ASP 723 HA ASP 723 33.013 25.954 3.327 326 HB2 ASP 723 HB2 ASP 723 35.372 26.523 3.705 327 HB3 ASP 723 HB1 ASP 723 35.194 24.981 2.873 328 H ARG 724 HN ARG 724 32.355 27.779 4.213 329 HA ARG 724 HA ARG 724 31.945 30.155 2.743 330 HB2 ARG 724 HB2 ARG 724 30.635 29.520 4.752 331 HB3 ARG 724 HB1 ARG 724 32.062 29.797 5.750 332 HG2 ARG 724 HG2 ARG 724 32.116 32.164 4.977 333 HG3 ARG 724 HG1 ARG 724 30.649 31.870 4.042 334 HD2 ARG 724 HD2 ARG 724 30.874 31.475 7.037 335 HD3 ARG 724 HD1 ARG 724 30.206 32.915 6.273 336 HE ARG 724 HE ARG 724 28.940 30.305 6.464 337 HH11 ARG 724 HH21 ARG 724 29.097 33.387 4.899 338 HH12 ARG 724 HH22 ARG 724 27.461 33.337 4.333 339 HH21 ARG 724 HH11 ARG 724 26.795 30.231 5.724 340 HH22 ARG 724 HH12 ARG 724 26.157 31.550 4.799 341 H LYS 725 HN LYS 725 34.446 29.205 5.070 342 HA LYS 725 HA LYS 725 36.049 31.535 4.193 343 HB2 LYS 725 HB2 LYS 725 35.846 30.305 6.950 344 HB3 LYS 725 HB1 LYS 725 37.049 31.508 6.486 345 HG2 LYS 725 HG2 LYS 725 35.252 33.088 5.895 346 HG3 LYS 725 HG1 LYS 725 34.042 31.886 6.346 347 HD2 LYS 725 HD2 LYS 725 34.911 31.867 8.653 348 HD3 LYS 725 HD1 LYS 725 36.125 33.067 8.207 349 HE2 LYS 725 HE2 LYS 725 34.341 34.662 7.614 350 HE3 LYS 725 HE1 LYS 725 33.122 33.463 8.049 351 HZ1 LYS 725 HZ1 LYS 725 35.191 34.458 9.926 352 HZ2 LYS 725 HZ2 LYS 725 33.842 33.494 10.295 353 HZ3 LYS 725 HZ3 LYS 725 33.629 35.111 9.820 354 H GLU 726 HN GLU 726 38.245 31.206 3.894 355 HA GLU 726 HA GLU 726 39.075 28.372 3.748 356 HB2 GLU 726 HB2 GLU 726 39.987 30.804 2.197 357 HB3 GLU 726 HB1 GLU 726 40.769 29.226 2.099 358 HG2 GLU 726 HG2 GLU 726 38.688 28.204 1.328 359 HG3 GLU 726 HG1 GLU 726 37.841 29.740 1.507 360 H PHE 727 HN PHE 727 40.572 27.709 5.140 361 HA PHE 727 HA PHE 727 41.695 29.246 7.156 362 HB2 PHE 727 HB2 PHE 727 41.664 26.807 7.239 363 HB3 PHE 727 HB1 PHE 727 42.792 26.726 5.886 364 HD1 PHE 727 HD2 PHE 727 42.432 28.131 9.338 365 HD2 PHE 727 HD1 PHE 727 45.110 26.748 6.276 366 HE1 PHE 727 HE2 PHE 727 44.337 28.333 10.912 367 HE2 PHE 727 HE1 PHE 727 47.015 26.950 7.851 368 HZ PHE 727 HZ PHE 727 46.629 27.743 10.169 Start of MODEL 16 1 H2 PRO 685 HT1 PRO 685 40.843 -31.439 -9.988 2 H3 PRO 685 HT2 PRO 685 40.049 -31.238 -8.498 3 HA PRO 685 HA PRO 685 41.954 -30.962 -7.436 4 HB2 PRO 685 HB2 PRO 685 43.717 -32.961 -8.327 5 HB3 PRO 685 HB1 PRO 685 42.645 -33.062 -6.915 6 HG2 PRO 685 HG2 PRO 685 42.307 -34.188 -9.621 7 HG3 PRO 685 HG1 PRO 685 41.683 -34.762 -8.068 8 HD2 PRO 685 HD2 PRO 685 40.095 -33.545 -9.930 9 HD3 PRO 685 HD1 PRO 685 39.782 -33.435 -8.185 10 H GLU 686 HN GLU 686 42.002 -31.439 -10.869 11 HA GLU 686 HA GLU 686 44.618 -30.507 -11.434 12 HB2 GLU 686 HB2 GLU 686 43.193 -31.724 -13.066 13 HB3 GLU 686 HB1 GLU 686 42.126 -30.323 -13.152 14 HG2 GLU 686 HG2 GLU 686 43.634 -30.196 -15.028 15 HG3 GLU 686 HG1 GLU 686 44.127 -28.953 -13.885 16 H SER 687 HN SER 687 45.429 -28.484 -11.719 17 HA SER 687 HA SER 687 45.613 -26.210 -11.441 18 HB2 SER 687 HB2 SER 687 42.889 -26.449 -12.712 19 HB3 SER 687 HB1 SER 687 43.624 -24.890 -12.346 20 HG SER 687 HG SER 687 45.303 -26.664 -13.595 21 HA PRO 688 HA PRO 688 43.262 -26.531 -7.423 22 HB2 PRO 688 HB2 PRO 688 45.862 -25.588 -6.376 23 HB3 PRO 688 HB1 PRO 688 44.868 -26.962 -5.857 24 HG2 PRO 688 HG2 PRO 688 47.175 -27.279 -7.192 25 HG3 PRO 688 HG1 PRO 688 45.805 -28.388 -7.375 26 HD2 PRO 688 HD2 PRO 688 46.752 -26.242 -9.234 27 HD3 PRO 688 HD1 PRO 688 46.029 -27.823 -9.608 28 H LYS 689 HN LYS 689 42.361 -24.827 -6.301 29 HA LYS 689 HA LYS 689 43.325 -22.109 -6.964 30 HB2 LYS 689 HB2 LYS 689 40.466 -23.094 -6.816 31 HB3 LYS 689 HB1 LYS 689 40.928 -21.395 -6.920 32 HG2 LYS 689 HG2 LYS 689 42.091 -21.828 -9.047 33 HG3 LYS 689 HG1 LYS 689 41.647 -23.533 -8.947 34 HD2 LYS 689 HD2 LYS 689 39.259 -22.921 -8.995 35 HD3 LYS 689 HD1 LYS 689 39.694 -21.215 -9.091 36 HE2 LYS 689 HE2 LYS 689 40.868 -21.627 -11.219 37 HE3 LYS 689 HE1 LYS 689 40.443 -23.337 -11.124 38 HZ1 LYS 689 HZ1 LYS 689 38.787 -22.475 -12.448 39 HZ2 LYS 689 HZ2 LYS 689 38.692 -21.014 -11.586 40 HZ3 LYS 689 HZ3 LYS 689 38.054 -22.440 -10.920 41 H GLY 690 HN GLY 690 43.244 -20.587 -5.328 42 HA2 GLY 690 HA2 GLY 690 41.885 -20.888 -2.870 43 HA3 GLY 690 HA1 GLY 690 43.541 -21.455 -2.682 44 HA PRO 691 HA PRO 691 45.081 -17.393 -2.186 45 HB2 PRO 691 HB2 PRO 691 47.144 -17.208 -3.994 46 HB3 PRO 691 HB1 PRO 691 47.238 -18.080 -2.451 47 HG2 PRO 691 HG2 PRO 691 46.790 -19.136 -5.198 48 HG3 PRO 691 HG1 PRO 691 47.740 -19.816 -3.866 49 HD2 PRO 691 HD2 PRO 691 45.268 -20.751 -4.508 50 HD3 PRO 691 HD1 PRO 691 45.889 -20.757 -2.841 51 H ASP 692 HN ASP 692 44.157 -18.337 -5.391 52 HA ASP 692 HA ASP 692 44.261 -15.724 -6.589 53 HB2 ASP 692 HB2 ASP 692 42.851 -16.761 -8.367 54 HB3 ASP 692 HB1 ASP 692 44.320 -17.672 -8.032 55 H ILE 693 HN ILE 693 41.801 -17.696 -5.016 56 HA ILE 693 HA ILE 693 39.590 -15.959 -5.447 57 HB ILE 693 HB ILE 693 40.097 -18.085 -3.369 58 HG12 ILE 693 HG12 ILE 693 38.252 -18.103 -5.755 59 HG13 ILE 693 HG11 ILE 693 39.903 -18.709 -5.836 60 HG21 ILE 693 HG21 ILE 693 37.854 -16.172 -3.785 61 HG22 ILE 693 HG22 ILE 693 38.412 -16.946 -2.301 62 HG23 ILE 693 HG23 ILE 693 37.420 -17.849 -3.446 63 HD11 ILE 693 HD11 ILE 693 37.746 -19.728 -3.941 64 HD12 ILE 693 HD12 ILE 693 39.401 -20.339 -4.048 65 HD13 ILE 693 HD13 ILE 693 38.300 -20.535 -5.408 66 H LEU 694 HN LEU 694 41.930 -16.371 -2.832 67 HA LEU 694 HA LEU 694 40.841 -14.495 -1.038 68 HB2 LEU 694 HB2 LEU 694 43.675 -15.488 -1.431 69 HB3 LEU 694 HB1 LEU 694 43.185 -14.434 -0.107 70 HG LEU 694 HG LEU 694 41.957 -17.146 -0.695 71 HD11 LEU 694 HD11 LEU 694 43.288 -17.271 1.739 72 HD12 LEU 694 HD12 LEU 694 44.415 -16.387 0.709 73 HD13 LEU 694 HD13 LEU 694 43.835 -17.982 0.224 74 HD21 LEU 694 HD21 LEU 694 41.425 -16.627 1.894 75 HD22 LEU 694 HD22 LEU 694 40.339 -16.167 0.582 76 HD23 LEU 694 HD23 LEU 694 41.434 -14.975 1.275 77 H VAL 695 HN VAL 695 43.063 -14.242 -3.790 78 HA VAL 695 HA VAL 695 43.848 -11.534 -3.302 79 HB VAL 695 HB VAL 695 43.798 -13.184 -5.843 80 HG11 VAL 695 HG11 VAL 695 44.583 -10.343 -5.296 81 HG12 VAL 695 HG12 VAL 695 43.833 -11.038 -6.732 82 HG13 VAL 695 HG13 VAL 695 45.554 -11.282 -6.430 83 HG21 VAL 695 HG21 VAL 695 45.415 -13.349 -3.604 84 HG22 VAL 695 HG22 VAL 695 46.342 -12.294 -4.672 85 HG23 VAL 695 HG23 VAL 695 45.860 -13.900 -5.219 86 H VAL 696 HN VAL 696 41.366 -13.059 -5.268 87 HA VAL 696 HA VAL 696 40.260 -10.698 -6.363 88 HB VAL 696 HB VAL 696 39.045 -13.424 -5.822 89 HG11 VAL 696 HG11 VAL 696 37.098 -12.256 -6.110 90 HG12 VAL 696 HG12 VAL 696 37.549 -12.346 -7.813 91 HG13 VAL 696 HG13 VAL 696 37.909 -10.893 -6.880 92 HG21 VAL 696 HG21 VAL 696 40.958 -12.577 -7.672 93 HG22 VAL 696 HG22 VAL 696 39.449 -12.568 -8.584 94 HG23 VAL 696 HG23 VAL 696 39.985 -14.044 -7.782 95 H LEU 697 HN LEU 697 39.543 -12.591 -3.430 96 HA LEU 697 HA LEU 697 37.296 -11.106 -2.619 97 HB2 LEU 697 HB2 LEU 697 37.849 -13.287 -1.665 98 HB3 LEU 697 HB1 LEU 697 39.313 -12.623 -0.948 99 HG LEU 697 HG LEU 697 37.969 -11.119 0.457 100 HD11 LEU 697 HD11 LEU 697 35.755 -12.235 -1.231 101 HD12 LEU 697 HD12 LEU 697 36.026 -10.574 -0.707 102 HD13 LEU 697 HD13 LEU 697 35.404 -11.770 0.433 103 HD21 LEU 697 HD21 LEU 697 38.475 -13.374 1.299 104 HD22 LEU 697 HD22 LEU 697 37.015 -13.996 0.529 105 HD23 LEU 697 HD23 LEU 697 36.887 -12.848 1.862 106 H LEU 698 HN LEU 698 40.741 -10.637 -1.862 107 HA LEU 698 HA LEU 698 40.369 -8.524 -0.012 108 HB2 LEU 698 HB2 LEU 698 42.714 -9.288 -1.760 109 HB3 LEU 698 HB1 LEU 698 42.783 -7.975 -0.590 110 HG LEU 698 HG LEU 698 41.994 -10.818 0.116 111 HD11 LEU 698 HD11 LEU 698 44.404 -10.498 1.284 112 HD12 LEU 698 HD12 LEU 698 44.644 -9.494 -0.145 113 HD13 LEU 698 HD13 LEU 698 44.215 -11.195 -0.326 114 HD21 LEU 698 HD21 LEU 698 43.035 -9.531 2.345 115 HD22 LEU 698 HD22 LEU 698 41.325 -9.797 2.015 116 HD23 LEU 698 HD23 LEU 698 42.082 -8.275 1.560 117 H SER 699 HN SER 699 40.938 -8.623 -3.492 118 HA SER 699 HA SER 699 41.043 -5.838 -3.918 119 HB2 SER 699 HB2 SER 699 40.546 -6.453 -6.273 120 HB3 SER 699 HB1 SER 699 41.827 -7.449 -5.581 121 HG SER 699 HG SER 699 40.081 -8.961 -5.055 122 H VAL 700 HN VAL 700 38.407 -8.146 -3.647 123 HA VAL 700 HA VAL 700 36.340 -6.434 -4.610 124 HB VAL 700 HB VAL 700 36.264 -8.827 -2.758 125 HG11 VAL 700 HG11 VAL 700 34.266 -7.805 -2.193 126 HG12 VAL 700 HG12 VAL 700 33.758 -8.683 -3.636 127 HG13 VAL 700 HG13 VAL 700 34.141 -6.964 -3.738 128 HG21 VAL 700 HG21 VAL 700 36.240 -10.050 -4.660 129 HG22 VAL 700 HG22 VAL 700 36.668 -8.575 -5.525 130 HG23 VAL 700 HG23 VAL 700 34.975 -9.037 -5.357 131 H MET 701 HN MET 701 37.625 -7.202 -1.418 132 HA MET 701 HA MET 701 35.894 -5.572 0.082 133 HB2 MET 701 HB2 MET 701 37.357 -7.315 1.070 134 HB3 MET 701 HB1 MET 701 38.769 -6.331 0.681 135 HG2 MET 701 HG2 MET 701 37.933 -4.522 2.117 136 HG3 MET 701 HG1 MET 701 36.485 -5.463 2.480 137 HE1 MET 701 HE1 MET 701 40.407 -5.899 2.315 138 HE2 MET 701 HE2 MET 701 40.731 -5.919 4.045 139 HE3 MET 701 HE3 MET 701 39.943 -4.520 3.319 140 H GLY 702 HN GLY 702 38.983 -4.960 -1.539 141 HA2 GLY 702 HA2 GLY 702 39.376 -2.332 -0.534 142 HA3 GLY 702 HA1 GLY 702 40.065 -2.972 -2.031 143 H ALA 703 HN ALA 703 37.721 -3.552 -3.438 144 HA ALA 703 HA ALA 703 37.131 -1.065 -4.616 145 HB1 ALA 703 HB1 ALA 703 35.064 -3.126 -4.948 146 HB2 ALA 703 HB2 ALA 703 36.707 -3.679 -5.277 147 HB3 ALA 703 HB3 ALA 703 36.054 -2.304 -6.161 148 H ILE 704 HN ILE 704 35.394 -3.012 -2.213 149 HA ILE 704 HA ILE 704 33.009 -1.444 -2.173 150 HB ILE 704 HB ILE 704 34.225 -3.145 -0.008 151 HG12 ILE 704 HG12 ILE 704 31.834 -3.663 -1.792 152 HG13 ILE 704 HG11 ILE 704 33.456 -4.224 -2.194 153 HG21 ILE 704 HG21 ILE 704 31.776 -3.054 0.809 154 HG22 ILE 704 HG22 ILE 704 31.636 -1.603 -0.182 155 HG23 ILE 704 HG23 ILE 704 32.798 -1.664 1.144 156 HD11 ILE 704 HD11 ILE 704 32.266 -6.028 -1.056 157 HD12 ILE 704 HD12 ILE 704 31.859 -4.952 0.280 158 HD13 ILE 704 HD13 ILE 704 33.535 -5.426 0.012 159 H LEU 705 HN LEU 705 36.000 -1.250 -0.261 160 HA LEU 705 HA LEU 705 35.143 0.828 1.435 161 HB2 LEU 705 HB2 LEU 705 37.156 -0.517 1.884 162 HB3 LEU 705 HB1 LEU 705 37.948 0.158 0.465 163 HG LEU 705 HG LEU 705 37.882 2.396 1.461 164 HD11 LEU 705 HD11 LEU 705 35.998 2.548 2.802 165 HD12 LEU 705 HD12 LEU 705 37.251 2.326 4.024 166 HD13 LEU 705 HD13 LEU 705 36.255 0.959 3.523 167 HD21 LEU 705 HD21 LEU 705 38.974 1.143 3.813 168 HD22 LEU 705 HD22 LEU 705 39.828 1.892 2.467 169 HD23 LEU 705 HD23 LEU 705 39.395 0.184 2.392 170 H LEU 706 HN LEU 706 36.839 0.947 -1.715 171 HA LEU 706 HA LEU 706 37.205 3.750 -1.810 172 HB2 LEU 706 HB2 LEU 706 36.924 1.687 -4.002 173 HB3 LEU 706 HB1 LEU 706 37.333 3.374 -4.309 174 HG LEU 706 HG LEU 706 38.888 1.562 -2.444 175 HD11 LEU 706 HD11 LEU 706 39.534 0.593 -4.401 176 HD12 LEU 706 HD12 LEU 706 40.540 2.034 -4.557 177 HD13 LEU 706 HD13 LEU 706 38.979 1.954 -5.373 178 HD21 LEU 706 HD21 LEU 706 39.112 4.415 -3.308 179 HD22 LEU 706 HD22 LEU 706 40.608 3.496 -3.177 180 HD23 LEU 706 HD23 LEU 706 39.554 3.662 -1.775 181 H ILE 707 HN ILE 707 34.532 1.683 -2.898 182 HA ILE 707 HA ILE 707 33.027 3.705 -4.167 183 HB ILE 707 HB ILE 707 32.202 1.095 -2.899 184 HG12 ILE 707 HG12 ILE 707 32.377 1.901 -5.816 185 HG13 ILE 707 HG11 ILE 707 33.710 1.133 -4.951 186 HG21 ILE 707 HG21 ILE 707 30.601 3.201 -4.347 187 HG22 ILE 707 HG22 ILE 707 30.204 2.341 -2.861 188 HG23 ILE 707 HG23 ILE 707 30.124 1.503 -4.411 189 HD11 ILE 707 HD11 ILE 707 31.691 -0.215 -6.250 190 HD12 ILE 707 HD12 ILE 707 31.145 -0.230 -4.575 191 HD13 ILE 707 HD13 ILE 707 32.723 -0.900 -4.994 192 H GLY 708 HN GLY 708 32.981 2.513 -0.820 193 HA2 GLY 708 HA2 GLY 708 30.770 4.082 0.040 194 HA3 GLY 708 HA1 GLY 708 31.976 3.349 1.095 195 H LEU 709 HN LEU 709 34.250 4.612 0.056 196 HA LEU 709 HA LEU 709 34.222 7.072 1.460 197 HB2 LEU 709 HB2 LEU 709 36.273 5.776 -0.334 198 HB3 LEU 709 HB1 LEU 709 36.555 7.291 0.519 199 HG LEU 709 HG LEU 709 35.750 4.695 1.868 200 HD11 LEU 709 HD11 LEU 709 38.062 4.473 2.538 201 HD12 LEU 709 HD12 LEU 709 38.472 6.015 1.786 202 HD13 LEU 709 HD13 LEU 709 38.016 4.638 0.781 203 HD21 LEU 709 HD21 LEU 709 36.912 6.173 3.791 204 HD22 LEU 709 HD22 LEU 709 35.186 6.272 3.448 205 HD23 LEU 709 HD23 LEU 709 36.286 7.483 2.792 206 H ALA 710 HN ALA 710 34.015 6.196 -1.952 207 HA ALA 710 HA ALA 710 34.679 8.605 -3.120 208 HB1 ALA 710 HB1 ALA 710 33.128 6.296 -3.936 209 HB2 ALA 710 HB2 ALA 710 34.212 7.321 -4.871 210 HB3 ALA 710 HB3 ALA 710 32.526 7.788 -4.668 211 HA PRO 711 HA PRO 711 30.144 10.374 -2.777 212 HB2 PRO 711 HB2 PRO 711 29.271 8.944 -0.317 213 HB3 PRO 711 HB1 PRO 711 28.326 9.420 -1.737 214 HG2 PRO 711 HG2 PRO 711 29.056 6.888 -1.279 215 HG3 PRO 711 HG1 PRO 711 28.899 7.558 -2.910 216 HD2 PRO 711 HD2 PRO 711 31.363 6.878 -1.398 217 HD3 PRO 711 HD1 PRO 711 31.070 6.934 -3.141 218 H LEU 712 HN LEU 712 31.760 9.254 0.212 219 HA LEU 712 HA LEU 712 31.262 11.606 1.722 220 HB2 LEU 712 HB2 LEU 712 33.177 9.305 1.961 221 HB3 LEU 712 HB1 LEU 712 33.369 10.721 2.995 222 HG LEU 712 HG LEU 712 31.038 10.482 3.766 223 HD11 LEU 712 HD11 LEU 712 29.769 9.476 2.121 224 HD12 LEU 712 HD12 LEU 712 30.101 8.063 3.120 225 HD13 LEU 712 HD13 LEU 712 31.053 8.358 1.667 226 HD21 LEU 712 HD21 LEU 712 32.514 7.843 3.975 227 HD22 LEU 712 HD22 LEU 712 31.379 8.523 5.142 228 HD23 LEU 712 HD23 LEU 712 32.951 9.282 4.896 229 H LEU 713 HN LEU 713 33.971 10.525 -0.321 230 HA LEU 713 HA LEU 713 35.605 12.785 0.158 231 HB2 LEU 713 HB2 LEU 713 35.466 10.837 -2.147 232 HB3 LEU 713 HB1 LEU 713 36.682 12.105 -2.035 233 HG LEU 713 HG LEU 713 36.199 10.031 0.127 234 HD11 LEU 713 HD11 LEU 713 38.324 9.008 -0.720 235 HD12 LEU 713 HD12 LEU 713 38.245 10.096 -2.106 236 HD13 LEU 713 HD13 LEU 713 36.986 8.886 -1.862 237 HD21 LEU 713 HD21 LEU 713 38.730 10.862 0.487 238 HD22 LEU 713 HD22 LEU 713 37.363 11.680 1.238 239 HD23 LEU 713 HD23 LEU 713 38.075 12.328 -0.237 240 H ILE 714 HN ILE 714 33.189 12.039 -2.340 241 HA ILE 714 HA ILE 714 33.524 14.450 -3.798 242 HB ILE 714 HB ILE 714 31.164 12.578 -3.532 243 HG12 ILE 714 HG12 ILE 714 33.163 11.594 -4.585 244 HG13 ILE 714 HG11 ILE 714 31.872 11.798 -5.762 245 HG21 ILE 714 HG21 ILE 714 30.689 13.829 -5.857 246 HG22 ILE 714 HG22 ILE 714 31.487 15.145 -4.997 247 HG23 ILE 714 HG23 ILE 714 30.036 14.403 -4.323 248 HD11 ILE 714 HD11 ILE 714 33.163 14.167 -6.095 249 HD12 ILE 714 HD12 ILE 714 33.565 12.716 -7.003 250 HD13 ILE 714 HD13 ILE 714 34.510 13.155 -5.582 251 H TRP 715 HN TRP 715 31.316 13.484 -1.180 252 HA TRP 715 HA TRP 715 29.912 15.926 -1.015 253 HB2 TRP 715 HB2 TRP 715 29.063 13.871 -0.013 254 HB3 TRP 715 HB1 TRP 715 30.470 13.768 1.041 255 HD1 TRP 715 HD1 TRP 715 27.270 15.791 0.490 256 HE1 TRP 715 HE1 TRP 715 26.722 17.067 2.663 257 HE3 TRP 715 HE3 TRP 715 31.470 14.757 3.208 258 HZ2 TRP 715 HZ2 TRP 715 27.905 17.577 5.216 259 HZ3 TRP 715 HZ3 TRP 715 31.731 15.647 5.506 260 HH2 TRP 715 HH2 TRP 715 29.955 17.055 6.512 261 H ALA 716 HN ALA 716 32.694 14.625 0.786 262 HA ALA 716 HA ALA 716 33.108 16.832 2.451 263 HB1 ALA 716 HB1 ALA 716 34.226 14.634 2.732 264 HB2 ALA 716 HB2 ALA 716 35.371 15.974 2.754 265 HB3 ALA 716 HB3 ALA 716 35.209 14.976 1.309 266 H LEU 717 HN LEU 717 34.323 16.147 -0.820 267 HA LEU 717 HA LEU 717 35.992 18.403 -1.012 268 HB2 LEU 717 HB2 LEU 717 34.650 16.619 -3.024 269 HB3 LEU 717 HB1 LEU 717 35.554 18.039 -3.544 270 HG LEU 717 HG LEU 717 36.699 15.909 -1.710 271 HD11 LEU 717 HD11 LEU 717 36.656 14.617 -3.583 272 HD12 LEU 717 HD12 LEU 717 38.012 15.625 -4.090 273 HD13 LEU 717 HD13 LEU 717 36.380 15.998 -4.646 274 HD21 LEU 717 HD21 LEU 717 38.343 17.438 -1.472 275 HD22 LEU 717 HD22 LEU 717 37.623 18.498 -2.682 276 HD23 LEU 717 HD23 LEU 717 38.711 17.205 -3.179 277 H LEU 718 HN LEU 718 32.562 17.900 -1.918 278 HA LEU 718 HA LEU 718 32.220 20.500 -3.006 279 HB2 LEU 718 HB2 LEU 718 30.259 18.546 -1.807 280 HB3 LEU 718 HB1 LEU 718 29.771 20.065 -2.552 281 HG LEU 718 HG LEU 718 31.443 17.955 -3.950 282 HD11 LEU 718 HD11 LEU 718 29.494 16.790 -3.992 283 HD12 LEU 718 HD12 LEU 718 29.014 17.969 -5.214 284 HD13 LEU 718 HD13 LEU 718 28.535 18.198 -3.534 285 HD21 LEU 718 HD21 LEU 718 30.279 19.367 -5.920 286 HD22 LEU 718 HD22 LEU 718 31.821 19.843 -5.215 287 HD23 LEU 718 HD23 LEU 718 30.334 20.629 -4.691 288 H ILE 719 HN ILE 719 31.651 19.160 0.225 289 HA ILE 719 HA ILE 719 30.764 21.598 1.359 290 HB ILE 719 HB ILE 719 31.653 18.969 2.474 291 HG12 ILE 719 HG12 ILE 719 29.398 19.180 3.601 292 HG13 ILE 719 HG11 ILE 719 29.144 20.672 2.706 293 HG21 ILE 719 HG21 ILE 719 31.471 21.576 3.958 294 HG22 ILE 719 HG22 ILE 719 32.721 20.338 4.040 295 HG23 ILE 719 HG23 ILE 719 31.142 20.044 4.768 296 HD11 ILE 719 HD11 ILE 719 29.500 17.898 1.554 297 HD12 ILE 719 HD12 ILE 719 29.454 19.362 0.581 298 HD13 ILE 719 HD13 ILE 719 28.049 18.887 1.520 299 H THR 720 HN THR 720 33.883 19.928 1.237 300 HA THR 720 HA THR 720 35.278 21.899 2.746 301 HB THR 720 HB THR 720 36.311 19.984 0.641 302 HG1 THR 720 HG1 THR 720 35.283 19.515 2.957 303 HG21 THR 720 HG21 THR 720 37.636 21.854 2.584 304 HG22 THR 720 HG22 THR 720 38.020 21.563 0.887 305 HG23 THR 720 HG23 THR 720 38.440 20.359 2.104 306 H ILE 721 HN ILE 721 34.790 21.418 -0.768 307 HA ILE 721 HA ILE 721 36.378 23.676 -1.517 308 HB ILE 721 HB ILE 721 34.223 22.199 -3.015 309 HG12 ILE 721 HG12 ILE 721 37.207 22.338 -3.499 310 HG13 ILE 721 HG11 ILE 721 36.501 21.128 -2.436 311 HG21 ILE 721 HG21 ILE 721 34.182 24.323 -4.026 312 HG22 ILE 721 HG22 ILE 721 35.355 23.433 -4.996 313 HG23 ILE 721 HG23 ILE 721 35.909 24.578 -3.774 314 HD11 ILE 721 HD11 ILE 721 36.759 20.208 -4.694 315 HD12 ILE 721 HD12 ILE 721 35.830 21.550 -5.363 316 HD13 ILE 721 HD13 ILE 721 35.045 20.373 -4.311 317 H HIS 722 HN HIS 722 32.844 23.423 -1.007 318 HA HIS 722 HA HIS 722 32.343 26.084 -1.860 319 HB2 HIS 722 HB2 HIS 722 30.167 25.713 -1.347 320 HB3 HIS 722 HB1 HIS 722 30.695 24.037 -1.245 321 HD1 HIS 722 HD1 HIS 722 31.429 23.226 1.228 322 HD2 HIS 722 HD2 HIS 722 29.190 26.737 1.032 323 HE1 HIS 722 HE1 HIS 722 30.540 23.652 3.572 324 H ASP 723 HN ASP 723 33.243 24.699 1.239 325 HA ASP 723 HA ASP 723 32.821 27.041 2.811 326 HB2 ASP 723 HB2 ASP 723 33.039 24.805 3.817 327 HB3 ASP 723 HB1 ASP 723 34.708 24.714 3.257 328 H ARG 724 HN ARG 724 35.572 25.735 1.003 329 HA ARG 724 HA ARG 724 37.463 27.674 1.869 330 HB2 ARG 724 HB2 ARG 724 38.093 25.507 0.845 331 HB3 ARG 724 HB1 ARG 724 37.428 26.057 -0.692 332 HG2 ARG 724 HG2 ARG 724 39.031 27.944 -0.708 333 HG3 ARG 724 HG1 ARG 724 39.703 27.378 0.822 334 HD2 ARG 724 HD2 ARG 724 40.230 25.192 -0.296 335 HD3 ARG 724 HD1 ARG 724 39.710 25.901 -1.823 336 HE ARG 724 HE ARG 724 41.716 27.478 -0.481 337 HH11 ARG 724 HH21 ARG 724 41.094 24.762 -2.533 338 HH12 ARG 724 HH22 ARG 724 42.647 24.811 -3.301 339 HH21 ARG 724 HH11 ARG 724 43.754 27.548 -1.482 340 HH22 ARG 724 HH12 ARG 724 44.152 26.388 -2.705 341 H LYS 725 HN LYS 725 37.894 29.686 1.147 342 HA LYS 725 HA LYS 725 35.986 31.111 -0.369 343 HB2 LYS 725 HB2 LYS 725 38.841 31.772 0.378 344 HB3 LYS 725 HB1 LYS 725 37.741 32.910 -0.400 345 HG2 LYS 725 HG2 LYS 725 36.157 32.675 1.472 346 HG3 LYS 725 HG1 LYS 725 37.246 31.526 2.253 347 HD2 LYS 725 HD2 LYS 725 38.996 33.259 2.378 348 HD3 LYS 725 HD1 LYS 725 37.912 34.411 1.595 349 HE2 LYS 725 HE2 LYS 725 36.316 34.189 3.460 350 HE3 LYS 725 HE1 LYS 725 37.388 33.028 4.244 351 HZ1 LYS 725 HZ1 LYS 725 38.141 34.882 5.249 352 HZ2 LYS 725 HZ2 LYS 725 37.634 35.916 4.000 353 HZ3 LYS 725 HZ3 LYS 725 39.074 35.028 3.840 354 H GLU 726 HN GLU 726 39.140 29.733 -1.216 355 HA GLU 726 HA GLU 726 40.220 29.525 -3.244 356 HB2 GLU 726 HB2 GLU 726 38.480 27.780 -3.382 357 HB3 GLU 726 HB1 GLU 726 37.382 28.940 -4.124 358 HG2 GLU 726 HG2 GLU 726 38.934 29.230 -6.010 359 HG3 GLU 726 HG1 GLU 726 40.072 28.113 -5.257 360 H PHE 727 HN PHE 727 37.253 30.575 -4.810 361 HA PHE 727 HA PHE 727 38.455 33.189 -5.411 362 HB2 PHE 727 HB2 PHE 727 39.093 31.754 -7.280 363 HB3 PHE 727 HB1 PHE 727 37.417 31.245 -7.488 364 HD1 PHE 727 HD1 PHE 727 39.575 34.304 -7.419 365 HD2 PHE 727 HD2 PHE 727 35.974 32.471 -8.877 366 HE1 PHE 727 HE1 PHE 727 39.150 36.281 -8.856 367 HE2 PHE 727 HE2 PHE 727 35.549 34.447 -10.314 368 HZ PHE 727 HZ PHE 727 37.138 36.352 -10.303 Start of MODEL 17 1 H2 PRO 685 HT1 PRO 685 48.485 -35.359 -4.899 2 H3 PRO 685 HT2 PRO 685 48.250 -36.336 -3.529 3 HA PRO 685 HA PRO 685 49.663 -35.142 -2.343 4 HB2 PRO 685 HB2 PRO 685 51.949 -34.720 -3.922 5 HB3 PRO 685 HB1 PRO 685 51.701 -36.053 -2.776 6 HG2 PRO 685 HG2 PRO 685 51.441 -36.023 -5.715 7 HG3 PRO 685 HG1 PRO 685 51.859 -37.355 -4.626 8 HD2 PRO 685 HD2 PRO 685 49.417 -37.159 -5.839 9 HD3 PRO 685 HD1 PRO 685 49.641 -37.929 -4.253 10 H GLU 686 HN GLU 686 47.973 -34.040 -4.698 11 HA GLU 686 HA GLU 686 49.221 -31.358 -4.819 12 HB2 GLU 686 HB2 GLU 686 47.350 -32.746 -6.746 13 HB3 GLU 686 HB1 GLU 686 47.787 -31.041 -6.858 14 HG2 GLU 686 HG2 GLU 686 50.150 -31.625 -7.074 15 HG3 GLU 686 HG1 GLU 686 49.769 -33.335 -6.872 16 H SER 687 HN SER 687 48.213 -29.775 -3.771 17 HA SER 687 HA SER 687 45.359 -29.556 -3.639 18 HB2 SER 687 HB2 SER 687 45.866 -31.314 -1.893 19 HB3 SER 687 HB1 SER 687 46.762 -30.080 -1.015 20 HG SER 687 HG SER 687 44.564 -30.242 -0.348 21 HA PRO 688 HA PRO 688 47.941 -25.685 -3.250 22 HB2 PRO 688 HB2 PRO 688 45.897 -24.707 -5.150 23 HB3 PRO 688 HB1 PRO 688 47.664 -24.621 -5.255 24 HG2 PRO 688 HG2 PRO 688 46.209 -26.262 -6.799 25 HG3 PRO 688 HG1 PRO 688 47.839 -26.673 -6.242 26 HD2 PRO 688 HD2 PRO 688 45.201 -27.689 -5.258 27 HD3 PRO 688 HD1 PRO 688 46.758 -28.536 -5.394 28 H LYS 689 HN LYS 689 47.429 -23.899 -2.006 29 HA LYS 689 HA LYS 689 45.173 -24.014 -0.314 30 HB2 LYS 689 HB2 LYS 689 47.311 -22.884 0.262 31 HB3 LYS 689 HB1 LYS 689 46.928 -21.620 -0.908 32 HG2 LYS 689 HG2 LYS 689 44.880 -21.067 0.327 33 HG3 LYS 689 HG1 LYS 689 45.205 -22.362 1.478 34 HD2 LYS 689 HD2 LYS 689 47.320 -21.250 2.120 35 HD3 LYS 689 HD1 LYS 689 46.970 -19.945 0.986 36 HE2 LYS 689 HE2 LYS 689 44.903 -19.415 2.220 37 HE3 LYS 689 HE1 LYS 689 45.237 -20.727 3.349 38 HZ1 LYS 689 HZ1 LYS 689 47.352 -18.763 2.935 39 HZ2 LYS 689 HZ2 LYS 689 46.888 -19.581 4.350 40 HZ3 LYS 689 HZ3 LYS 689 45.989 -18.247 3.802 41 H GLY 690 HN GLY 690 45.884 -22.013 -3.159 42 HA2 GLY 690 HA2 GLY 690 44.222 -21.350 -4.734 43 HA3 GLY 690 HA1 GLY 690 42.999 -21.547 -3.484 44 HA PRO 691 HA PRO 691 45.103 -17.443 -2.221 45 HB2 PRO 691 HB2 PRO 691 47.247 -16.582 -3.686 46 HB3 PRO 691 HB1 PRO 691 47.395 -17.610 -2.249 47 HG2 PRO 691 HG2 PRO 691 47.514 -18.351 -5.129 48 HG3 PRO 691 HG1 PRO 691 48.455 -18.966 -3.760 49 HD2 PRO 691 HD2 PRO 691 46.342 -20.335 -4.839 50 HD3 PRO 691 HD1 PRO 691 46.826 -20.475 -3.134 51 H ASP 692 HN ASP 692 44.432 -18.357 -5.415 52 HA ASP 692 HA ASP 692 44.340 -15.819 -6.711 53 HB2 ASP 692 HB2 ASP 692 43.161 -18.534 -7.243 54 HB3 ASP 692 HB1 ASP 692 42.607 -17.143 -8.174 55 H ILE 693 HN ILE 693 41.967 -17.721 -4.911 56 HA ILE 693 HA ILE 693 39.772 -15.962 -5.405 57 HB ILE 693 HB ILE 693 39.589 -18.412 -4.664 58 HG12 ILE 693 HG12 ILE 693 37.557 -17.929 -3.253 59 HG13 ILE 693 HG11 ILE 693 38.049 -16.238 -3.200 60 HG21 ILE 693 HG21 ILE 693 41.207 -17.821 -2.669 61 HG22 ILE 693 HG22 ILE 693 39.920 -18.995 -2.438 62 HG23 ILE 693 HG23 ILE 693 39.717 -17.338 -1.869 63 HD11 ILE 693 HD11 ILE 693 36.406 -17.342 -5.122 64 HD12 ILE 693 HD12 ILE 693 37.974 -17.352 -5.927 65 HD13 ILE 693 HD13 ILE 693 37.312 -15.841 -5.308 66 H LEU 694 HN LEU 694 42.152 -16.295 -2.860 67 HA LEU 694 HA LEU 694 41.062 -14.428 -1.045 68 HB2 LEU 694 HB2 LEU 694 43.908 -15.334 -1.534 69 HB3 LEU 694 HB1 LEU 694 43.441 -14.278 -0.204 70 HG LEU 694 HG LEU 694 42.214 -17.003 -0.713 71 HD11 LEU 694 HD11 LEU 694 44.684 -16.173 0.695 72 HD12 LEU 694 HD12 LEU 694 44.260 -17.729 -0.020 73 HD13 LEU 694 HD13 LEU 694 43.644 -17.294 1.575 74 HD21 LEU 694 HD21 LEU 694 41.806 -16.515 1.901 75 HD22 LEU 694 HD22 LEU 694 40.668 -15.991 0.663 76 HD23 LEU 694 HD23 LEU 694 41.835 -14.850 1.327 77 H VAL 695 HN VAL 695 43.220 -14.146 -3.816 78 HA VAL 695 HA VAL 695 43.903 -11.412 -3.477 79 HB VAL 695 HB VAL 695 43.783 -13.170 -5.937 80 HG11 VAL 695 HG11 VAL 695 45.457 -11.233 -6.681 81 HG12 VAL 695 HG12 VAL 695 44.472 -10.283 -5.569 82 HG13 VAL 695 HG13 VAL 695 43.720 -11.090 -6.945 83 HG21 VAL 695 HG21 VAL 695 46.338 -12.140 -4.858 84 HG22 VAL 695 HG22 VAL 695 45.931 -13.755 -5.439 85 HG23 VAL 695 HG23 VAL 695 45.490 -13.270 -3.803 86 H VAL 696 HN VAL 696 41.374 -13.076 -5.280 87 HA VAL 696 HA VAL 696 40.176 -10.780 -6.412 88 HB VAL 696 HB VAL 696 39.054 -13.517 -5.767 89 HG11 VAL 696 HG11 VAL 696 37.361 -12.678 -7.600 90 HG12 VAL 696 HG12 VAL 696 37.839 -11.077 -7.034 91 HG13 VAL 696 HG13 VAL 696 37.112 -12.227 -5.913 92 HG21 VAL 696 HG21 VAL 696 39.829 -14.145 -7.812 93 HG22 VAL 696 HG22 VAL 696 40.903 -12.755 -7.657 94 HG23 VAL 696 HG23 VAL 696 39.390 -12.603 -8.551 95 H LEU 697 HN LEU 697 39.578 -12.604 -3.413 96 HA LEU 697 HA LEU 697 37.320 -11.105 -2.607 97 HB2 LEU 697 HB2 LEU 697 39.325 -12.729 -1.055 98 HB3 LEU 697 HB1 LEU 697 37.933 -11.964 -0.292 99 HG LEU 697 HG LEU 697 37.715 -13.831 -2.674 100 HD11 LEU 697 HD11 LEU 697 36.800 -15.407 -0.823 101 HD12 LEU 697 HD12 LEU 697 37.693 -14.370 0.289 102 HD13 LEU 697 HD13 LEU 697 38.548 -15.240 -0.985 103 HD21 LEU 697 HD21 LEU 697 35.377 -13.884 -1.146 104 HD22 LEU 697 HD22 LEU 697 35.599 -13.041 -2.678 105 HD23 LEU 697 HD23 LEU 697 35.836 -12.182 -1.159 106 H LEU 698 HN LEU 698 40.773 -10.605 -1.929 107 HA LEU 698 HA LEU 698 40.416 -8.491 -0.080 108 HB2 LEU 698 HB2 LEU 698 42.729 -9.220 -1.881 109 HB3 LEU 698 HB1 LEU 698 42.802 -7.898 -0.720 110 HG LEU 698 HG LEU 698 42.073 -10.747 0.020 111 HD11 LEU 698 HD11 LEU 698 44.725 -9.324 -0.074 112 HD12 LEU 698 HD12 LEU 698 44.315 -10.937 -0.658 113 HD13 LEU 698 HD13 LEU 698 44.442 -10.632 1.075 114 HD21 LEU 698 HD21 LEU 698 41.431 -9.721 1.931 115 HD22 LEU 698 HD22 LEU 698 42.158 -8.189 1.452 116 HD23 LEU 698 HD23 LEU 698 43.143 -9.430 2.224 117 H SER 699 HN SER 699 40.878 -8.600 -3.568 118 HA SER 699 HA SER 699 40.931 -5.817 -4.014 119 HB2 SER 699 HB2 SER 699 40.401 -6.443 -6.351 120 HB3 SER 699 HB1 SER 699 41.691 -7.441 -5.679 121 HG SER 699 HG SER 699 39.963 -8.956 -5.119 122 H VAL 700 HN VAL 700 38.342 -8.161 -3.646 123 HA VAL 700 HA VAL 700 36.217 -6.512 -4.585 124 HB VAL 700 HB VAL 700 36.240 -8.870 -2.690 125 HG11 VAL 700 HG11 VAL 700 34.251 -7.788 -2.108 126 HG12 VAL 700 HG12 VAL 700 33.722 -8.840 -3.422 127 HG13 VAL 700 HG13 VAL 700 34.021 -7.128 -3.727 128 HG21 VAL 700 HG21 VAL 700 36.090 -10.154 -4.556 129 HG22 VAL 700 HG22 VAL 700 36.642 -8.726 -5.430 130 HG23 VAL 700 HG23 VAL 700 34.917 -9.068 -5.303 131 H MET 701 HN MET 701 37.564 -7.174 -1.378 132 HA MET 701 HA MET 701 35.788 -5.504 0.052 133 HB2 MET 701 HB2 MET 701 38.612 -6.387 0.708 134 HB3 MET 701 HB1 MET 701 37.530 -5.578 1.838 135 HG2 MET 701 HG2 MET 701 36.960 -8.225 0.473 136 HG3 MET 701 HG1 MET 701 37.505 -8.046 2.135 137 HE1 MET 701 HE1 MET 701 35.720 -5.505 3.315 138 HE2 MET 701 HE2 MET 701 36.433 -7.002 3.910 139 HE3 MET 701 HE3 MET 701 34.709 -6.712 4.119 140 H GLY 702 HN GLY 702 38.894 -4.937 -1.547 141 HA2 GLY 702 HA2 GLY 702 39.345 -2.320 -0.563 142 HA3 GLY 702 HA1 GLY 702 39.985 -2.967 -2.072 143 H ALA 703 HN ALA 703 37.572 -3.522 -3.385 144 HA ALA 703 HA ALA 703 36.969 -1.018 -4.530 145 HB1 ALA 703 HB1 ALA 703 36.452 -3.700 -5.128 146 HB2 ALA 703 HB2 ALA 703 35.990 -2.297 -6.092 147 HB3 ALA 703 HB3 ALA 703 34.859 -2.971 -4.919 148 H ILE 704 HN ILE 704 35.356 -2.935 -2.029 149 HA ILE 704 HA ILE 704 32.964 -1.452 -1.925 150 HB ILE 704 HB ILE 704 34.410 -3.054 0.191 151 HG12 ILE 704 HG12 ILE 704 31.903 -3.680 -1.397 152 HG13 ILE 704 HG11 ILE 704 33.514 -4.191 -1.902 153 HG21 ILE 704 HG21 ILE 704 32.059 -3.043 1.244 154 HG22 ILE 704 HG22 ILE 704 31.732 -1.654 0.208 155 HG23 ILE 704 HG23 ILE 704 33.014 -1.571 1.414 156 HD11 ILE 704 HD11 ILE 704 31.815 -5.552 -0.141 157 HD12 ILE 704 HD12 ILE 704 33.042 -4.824 0.895 158 HD13 ILE 704 HD13 ILE 704 33.522 -5.891 -0.424 159 H LEU 705 HN LEU 705 36.043 -1.039 -0.134 160 HA LEU 705 HA LEU 705 35.123 1.084 1.487 161 HB2 LEU 705 HB2 LEU 705 37.844 0.160 0.633 162 HB3 LEU 705 HB1 LEU 705 37.677 1.710 1.451 163 HG LEU 705 HG LEU 705 36.438 0.523 3.300 164 HD11 LEU 705 HD11 LEU 705 36.643 -1.921 3.432 165 HD12 LEU 705 HD12 LEU 705 37.424 -1.948 1.856 166 HD13 LEU 705 HD13 LEU 705 35.736 -1.462 1.995 167 HD21 LEU 705 HD21 LEU 705 38.525 -0.639 4.171 168 HD22 LEU 705 HD22 LEU 705 38.749 1.034 3.660 169 HD23 LEU 705 HD23 LEU 705 39.271 -0.286 2.612 170 H LEU 706 HN LEU 706 36.669 1.088 -1.719 171 HA LEU 706 HA LEU 706 36.933 3.879 -1.958 172 HB2 LEU 706 HB2 LEU 706 38.073 2.307 -3.457 173 HB3 LEU 706 HB1 LEU 706 36.523 1.783 -4.109 174 HG LEU 706 HG LEU 706 36.100 4.038 -4.988 175 HD11 LEU 706 HD11 LEU 706 38.262 5.560 -4.907 176 HD12 LEU 706 HD12 LEU 706 38.598 4.640 -3.440 177 HD13 LEU 706 HD13 LEU 706 37.111 5.580 -3.570 178 HD21 LEU 706 HD21 LEU 706 38.928 3.348 -5.772 179 HD22 LEU 706 HD22 LEU 706 37.612 3.932 -6.791 180 HD23 LEU 706 HD23 LEU 706 37.590 2.276 -6.186 181 H ILE 707 HN ILE 707 34.286 1.689 -2.833 182 HA ILE 707 HA ILE 707 32.648 3.610 -4.096 183 HB ILE 707 HB ILE 707 31.970 1.022 -2.694 184 HG12 ILE 707 HG12 ILE 707 31.996 1.720 -5.641 185 HG13 ILE 707 HG11 ILE 707 33.391 1.034 -4.811 186 HG21 ILE 707 HG21 ILE 707 29.824 1.286 -4.098 187 HG22 ILE 707 HG22 ILE 707 30.254 2.993 -4.209 188 HG23 ILE 707 HG23 ILE 707 29.948 2.261 -2.634 189 HD11 ILE 707 HD11 ILE 707 30.851 -0.387 -4.319 190 HD12 ILE 707 HD12 ILE 707 32.451 -1.035 -4.680 191 HD13 ILE 707 HD13 ILE 707 31.419 -0.456 -5.987 192 H GLY 708 HN GLY 708 32.806 2.530 -0.719 193 HA2 GLY 708 HA2 GLY 708 30.610 4.104 0.189 194 HA3 GLY 708 HA1 GLY 708 31.846 3.368 1.206 195 H LEU 709 HN LEU 709 34.115 4.567 0.161 196 HA LEU 709 HA LEU 709 34.152 7.068 1.485 197 HB2 LEU 709 HB2 LEU 709 36.134 5.659 -0.305 198 HB3 LEU 709 HB1 LEU 709 36.473 7.200 0.479 199 HG LEU 709 HG LEU 709 35.595 4.709 1.969 200 HD11 LEU 709 HD11 LEU 709 38.305 5.725 1.184 201 HD12 LEU 709 HD12 LEU 709 37.701 4.069 1.214 202 HD13 LEU 709 HD13 LEU 709 38.111 4.886 2.722 203 HD21 LEU 709 HD21 LEU 709 37.034 6.367 3.670 204 HD22 LEU 709 HD22 LEU 709 35.278 6.235 3.614 205 HD23 LEU 709 HD23 LEU 709 36.094 7.508 2.710 206 H ALA 710 HN ALA 710 33.953 6.054 -1.873 207 HA ALA 710 HA ALA 710 34.589 8.253 -3.299 208 HB1 ALA 710 HB1 ALA 710 32.659 6.091 -3.667 209 HB2 ALA 710 HB2 ALA 710 33.816 6.781 -4.802 210 HB3 ALA 710 HB3 ALA 710 32.252 7.556 -4.561 211 HA PRO 711 HA PRO 711 30.394 10.506 -2.829 212 HB2 PRO 711 HB2 PRO 711 28.753 9.677 -0.771 213 HB3 PRO 711 HB1 PRO 711 28.586 9.161 -2.461 214 HG2 PRO 711 HG2 PRO 711 29.839 7.747 -0.164 215 HG3 PRO 711 HG1 PRO 711 28.856 7.103 -1.490 216 HD2 PRO 711 HD2 PRO 711 31.559 6.859 -1.446 217 HD3 PRO 711 HD1 PRO 711 30.647 7.018 -2.961 218 H LEU 712 HN LEU 712 31.894 9.230 0.108 219 HA LEU 712 HA LEU 712 31.414 11.507 1.740 220 HB2 LEU 712 HB2 LEU 712 33.504 9.323 1.860 221 HB3 LEU 712 HB1 LEU 712 33.353 10.581 3.083 222 HG LEU 712 HG LEU 712 31.088 8.738 2.258 223 HD11 LEU 712 HD11 LEU 712 33.333 8.383 4.143 224 HD12 LEU 712 HD12 LEU 712 32.303 7.175 3.373 225 HD13 LEU 712 HD13 LEU 712 31.740 8.026 4.812 226 HD21 LEU 712 HD21 LEU 712 31.332 11.067 4.041 227 HD22 LEU 712 HD22 LEU 712 30.641 9.653 4.834 228 HD23 LEU 712 HD23 LEU 712 29.889 10.302 3.379 229 H LEU 713 HN LEU 713 34.057 10.453 -0.373 230 HA LEU 713 HA LEU 713 35.747 12.671 0.120 231 HB2 LEU 713 HB2 LEU 713 35.521 10.768 -2.216 232 HB3 LEU 713 HB1 LEU 713 36.777 11.995 -2.087 233 HG LEU 713 HG LEU 713 36.252 9.883 0.026 234 HD11 LEU 713 HD11 LEU 713 38.187 9.945 -2.296 235 HD12 LEU 713 HD12 LEU 713 37.003 8.698 -1.903 236 HD13 LEU 713 HD13 LEU 713 38.430 8.912 -0.888 237 HD21 LEU 713 HD21 LEU 713 38.803 10.638 0.405 238 HD22 LEU 713 HD22 LEU 713 37.462 11.486 1.168 239 HD23 LEU 713 HD23 LEU 713 38.196 12.137 -0.295 240 H ILE 714 HN ILE 714 33.277 11.995 -2.342 241 HA ILE 714 HA ILE 714 33.628 14.400 -3.799 242 HB ILE 714 HB ILE 714 31.232 12.581 -3.488 243 HG12 ILE 714 HG12 ILE 714 33.124 12.962 -5.822 244 HG13 ILE 714 HG11 ILE 714 33.358 11.723 -4.588 245 HG21 ILE 714 HG21 ILE 714 30.316 14.665 -4.148 246 HG22 ILE 714 HG22 ILE 714 30.539 13.782 -5.659 247 HG23 ILE 714 HG23 ILE 714 31.691 15.032 -5.188 248 HD11 ILE 714 HD11 ILE 714 32.125 10.895 -6.616 249 HD12 ILE 714 HD12 ILE 714 30.828 12.024 -6.224 250 HD13 ILE 714 HD13 ILE 714 31.220 10.711 -5.113 251 H TRP 715 HN TRP 715 31.457 13.498 -1.116 252 HA TRP 715 HA TRP 715 30.143 15.998 -0.958 253 HB2 TRP 715 HB2 TRP 715 29.290 13.913 0.081 254 HB3 TRP 715 HB1 TRP 715 30.634 13.949 1.220 255 HD1 TRP 715 HD1 TRP 715 30.231 15.224 3.387 256 HE1 TRP 715 HE1 TRP 715 28.490 16.934 4.220 257 HE3 TRP 715 HE3 TRP 715 27.640 16.015 -0.935 258 HZ2 TRP 715 HZ2 TRP 715 26.292 18.443 3.186 259 HZ3 TRP 715 HZ3 TRP 715 25.732 17.593 -0.988 260 HH2 TRP 715 HH2 TRP 715 25.054 18.808 1.065 261 H ALA 716 HN ALA 716 32.936 14.607 0.761 262 HA ALA 716 HA ALA 716 33.445 16.772 2.457 263 HB1 ALA 716 HB1 ALA 716 35.391 14.806 1.214 264 HB2 ALA 716 HB2 ALA 716 34.559 14.628 2.760 265 HB3 ALA 716 HB3 ALA 716 35.768 15.893 2.552 266 H LEU 717 HN LEU 717 34.599 16.133 -0.843 267 HA LEU 717 HA LEU 717 36.233 18.417 -1.031 268 HB2 LEU 717 HB2 LEU 717 34.879 16.720 -3.124 269 HB3 LEU 717 HB1 LEU 717 35.930 18.073 -3.535 270 HG LEU 717 HG LEU 717 36.776 15.793 -1.722 271 HD11 LEU 717 HD11 LEU 717 38.133 15.132 -3.806 272 HD12 LEU 717 HD12 LEU 717 37.043 16.191 -4.703 273 HD13 LEU 717 HD13 LEU 717 36.402 14.789 -3.849 274 HD21 LEU 717 HD21 LEU 717 39.003 16.954 -2.948 275 HD22 LEU 717 HD22 LEU 717 38.478 17.232 -1.288 276 HD23 LEU 717 HD23 LEU 717 37.975 18.333 -2.565 277 H LEU 718 HN LEU 718 32.818 17.849 -1.863 278 HA LEU 718 HA LEU 718 32.415 20.454 -2.934 279 HB2 LEU 718 HB2 LEU 718 30.468 18.459 -1.746 280 HB3 LEU 718 HB1 LEU 718 29.967 19.993 -2.454 281 HG LEU 718 HG LEU 718 31.656 17.950 -3.933 282 HD11 LEU 718 HD11 LEU 718 28.661 18.366 -3.859 283 HD12 LEU 718 HD12 LEU 718 29.549 16.889 -3.487 284 HD13 LEU 718 HD13 LEU 718 29.475 17.481 -5.148 285 HD21 LEU 718 HD21 LEU 718 31.886 19.717 -5.357 286 HD22 LEU 718 HD22 LEU 718 30.654 20.657 -4.520 287 HD23 LEU 718 HD23 LEU 718 30.182 19.480 -5.744 288 H ILE 719 HN ILE 719 31.983 19.077 0.309 289 HA ILE 719 HA ILE 719 31.015 21.466 1.512 290 HB ILE 719 HB ILE 719 32.365 19.004 2.631 291 HG12 ILE 719 HG12 ILE 719 30.122 18.618 1.670 292 HG13 ILE 719 HG11 ILE 719 30.091 18.431 3.417 293 HG21 ILE 719 HG21 ILE 719 32.821 20.762 4.208 294 HG22 ILE 719 HG22 ILE 719 31.501 19.792 4.854 295 HG23 ILE 719 HG23 ILE 719 31.161 21.347 4.109 296 HD11 ILE 719 HD11 ILE 719 28.255 19.784 3.218 297 HD12 ILE 719 HD12 ILE 719 28.815 20.489 1.703 298 HD13 ILE 719 HD13 ILE 719 29.468 21.061 3.232 299 H THR 720 HN THR 720 34.191 19.907 1.192 300 HA THR 720 HA THR 720 35.606 21.946 2.621 301 HB THR 720 HB THR 720 36.697 20.140 0.462 302 HG1 THR 720 HG1 THR 720 35.666 19.448 2.724 303 HG21 THR 720 HG21 THR 720 37.960 21.766 2.658 304 HG22 THR 720 HG22 THR 720 38.232 21.901 0.921 305 HG23 THR 720 HG23 THR 720 38.817 20.487 1.799 306 H ILE 721 HN ILE 721 34.917 21.438 -0.828 307 HA ILE 721 HA ILE 721 36.408 23.738 -1.683 308 HB ILE 721 HB ILE 721 34.296 22.125 -3.077 309 HG12 ILE 721 HG12 ILE 721 37.238 22.430 -3.666 310 HG13 ILE 721 HG11 ILE 721 36.656 21.223 -2.526 311 HG21 ILE 721 HG21 ILE 721 35.784 24.600 -3.904 312 HG22 ILE 721 HG22 ILE 721 34.104 24.161 -4.208 313 HG23 ILE 721 HG23 ILE 721 35.398 23.371 -5.110 314 HD11 ILE 721 HD11 ILE 721 36.910 20.302 -4.819 315 HD12 ILE 721 HD12 ILE 721 35.742 21.487 -5.407 316 HD13 ILE 721 HD13 ILE 721 35.237 20.236 -4.269 317 H HIS 722 HN HIS 722 32.959 23.322 -0.906 318 HA HIS 722 HA HIS 722 32.253 25.933 -1.866 319 HB2 HIS 722 HB2 HIS 722 30.121 25.478 -1.229 320 HB3 HIS 722 HB1 HIS 722 30.736 23.835 -1.136 321 HD1 HIS 722 HD1 HIS 722 31.679 23.127 1.322 322 HD2 HIS 722 HD2 HIS 722 29.209 26.477 1.155 323 HE1 HIS 722 HE1 HIS 722 30.916 23.590 3.699 324 H ASP 723 HN ASP 723 33.570 24.743 1.115 325 HA ASP 723 HA ASP 723 33.235 26.043 3.237 326 HB2 ASP 723 HB2 ASP 723 35.825 26.289 1.723 327 HB3 ASP 723 HB1 ASP 723 35.643 26.870 3.378 328 H ARG 724 HN ARG 724 35.079 28.115 1.021 329 HA ARG 724 HA ARG 724 33.354 30.385 1.815 330 HB2 ARG 724 HB2 ARG 724 35.557 30.465 2.967 331 HB3 ARG 724 HB1 ARG 724 36.349 30.460 1.391 332 HG2 ARG 724 HG2 ARG 724 35.210 32.551 0.787 333 HG3 ARG 724 HG1 ARG 724 34.372 32.555 2.340 334 HD2 ARG 724 HD2 ARG 724 36.299 34.030 2.483 335 HD3 ARG 724 HD1 ARG 724 36.585 32.610 3.486 336 HE ARG 724 HE ARG 724 37.627 32.161 0.888 337 HH11 ARG 724 HH21 ARG 724 38.139 34.014 3.765 338 HH12 ARG 724 HH22 ARG 724 39.854 34.131 3.550 339 HH21 ARG 724 HH11 ARG 724 39.877 32.308 0.602 340 HH22 ARG 724 HH12 ARG 724 40.837 33.168 1.759 341 H LYS 725 HN LYS 725 32.590 31.586 0.170 342 HA LYS 725 HA LYS 725 33.077 30.733 -2.535 343 HB2 LYS 725 HB2 LYS 725 31.473 33.025 -1.379 344 HB3 LYS 725 HB1 LYS 725 31.516 32.617 -3.096 345 HG2 LYS 725 HG2 LYS 725 30.681 30.353 -2.581 346 HG3 LYS 725 HG1 LYS 725 30.632 30.763 -0.865 347 HD2 LYS 725 HD2 LYS 725 29.016 32.566 -1.335 348 HD3 LYS 725 HD1 LYS 725 29.064 32.159 -3.052 349 HE2 LYS 725 HE2 LYS 725 28.239 29.895 -2.546 350 HE3 LYS 725 HE1 LYS 725 28.194 30.295 -0.828 351 HZ1 LYS 725 HZ1 LYS 725 26.111 30.585 -2.431 352 HZ2 LYS 725 HZ2 LYS 725 26.813 32.120 -2.622 353 HZ3 LYS 725 HZ3 LYS 725 26.371 31.571 -1.076 354 H GLU 726 HN GLU 726 34.184 31.788 -4.152 355 HA GLU 726 HA GLU 726 36.165 33.741 -3.261 356 HB2 GLU 726 HB2 GLU 726 36.859 31.803 -4.637 357 HB3 GLU 726 HB1 GLU 726 35.827 32.380 -5.945 358 HG2 GLU 726 HG2 GLU 726 37.122 34.462 -6.076 359 HG3 GLU 726 HG1 GLU 726 38.130 33.935 -4.729 360 H PHE 727 HN PHE 727 36.276 35.836 -3.934 361 HA PHE 727 HA PHE 727 34.473 36.792 -6.020 362 HB2 PHE 727 HB2 PHE 727 33.079 36.954 -4.026 363 HB3 PHE 727 HB1 PHE 727 34.355 37.824 -3.175 364 HD1 PHE 727 HD2 PHE 727 32.221 37.992 -6.247 365 HD2 PHE 727 HD1 PHE 727 34.492 40.163 -3.317 366 HE1 PHE 727 HE2 PHE 727 31.402 40.131 -7.198 367 HE2 PHE 727 HE1 PHE 727 33.673 42.302 -4.267 368 HZ PHE 727 HZ PHE 727 32.128 42.287 -6.208 Start of MODEL 18 1 H2 PRO 685 HT1 PRO 685 40.960 -30.559 -6.396 2 H3 PRO 685 HT2 PRO 685 40.305 -32.108 -6.149 3 HA PRO 685 HA PRO 685 39.051 -31.854 -7.934 4 HB2 PRO 685 HB2 PRO 685 37.727 -29.349 -7.202 5 HB3 PRO 685 HB1 PRO 685 37.043 -30.981 -7.338 6 HG2 PRO 685 HG2 PRO 685 37.418 -29.699 -4.973 7 HG3 PRO 685 HG1 PRO 685 37.410 -31.459 -5.154 8 HD2 PRO 685 HD2 PRO 685 39.736 -29.616 -4.774 9 HD3 PRO 685 HD1 PRO 685 39.524 -31.292 -4.225 10 H GLU 686 HN GLU 686 40.398 -31.388 -9.612 11 HA GLU 686 HA GLU 686 41.766 -28.935 -9.977 12 HB2 GLU 686 HB2 GLU 686 41.050 -31.140 -11.919 13 HB3 GLU 686 HB1 GLU 686 42.094 -29.777 -12.324 14 HG2 GLU 686 HG2 GLU 686 43.651 -30.397 -10.544 15 HG3 GLU 686 HG1 GLU 686 42.590 -31.713 -10.045 16 H SER 687 HN SER 687 41.241 -27.098 -11.058 17 HA SER 687 HA SER 687 38.723 -27.010 -12.560 18 HB2 SER 687 HB2 SER 687 38.858 -26.095 -9.955 19 HB3 SER 687 HB1 SER 687 39.123 -24.633 -10.898 20 HG SER 687 HG SER 687 37.023 -26.503 -11.317 21 HA PRO 688 HA PRO 688 40.713 -24.204 -15.319 22 HB2 PRO 688 HB2 PRO 688 39.064 -21.847 -14.629 23 HB3 PRO 688 HB1 PRO 688 39.201 -22.716 -16.168 24 HG2 PRO 688 HG2 PRO 688 37.018 -22.876 -14.625 25 HG3 PRO 688 HG1 PRO 688 37.587 -24.234 -15.610 26 HD2 PRO 688 HD2 PRO 688 37.835 -23.813 -12.657 27 HD3 PRO 688 HD1 PRO 688 37.571 -25.317 -13.567 28 H LYS 689 HN LYS 689 42.444 -22.790 -15.404 29 HA LYS 689 HA LYS 689 43.498 -21.865 -12.873 30 HB2 LYS 689 HB2 LYS 689 44.954 -22.869 -14.615 31 HB3 LYS 689 HB1 LYS 689 44.589 -21.508 -15.677 32 HG2 LYS 689 HG2 LYS 689 45.556 -19.948 -14.046 33 HG3 LYS 689 HG1 LYS 689 45.879 -21.283 -12.939 34 HD2 LYS 689 HD2 LYS 689 47.362 -22.315 -14.629 35 HD3 LYS 689 HD1 LYS 689 47.053 -20.961 -15.717 36 HE2 LYS 689 HE2 LYS 689 48.009 -19.403 -14.068 37 HE3 LYS 689 HE1 LYS 689 48.304 -20.746 -12.963 38 HZ1 LYS 689 HZ1 LYS 689 50.147 -21.288 -14.050 39 HZ2 LYS 689 HZ2 LYS 689 50.003 -19.826 -14.904 40 HZ3 LYS 689 HZ3 LYS 689 49.366 -21.259 -15.556 41 H GLY 690 HN GLY 690 43.514 -19.816 -12.109 42 HA2 GLY 690 HA2 GLY 690 43.219 -17.501 -13.756 43 HA3 GLY 690 HA1 GLY 690 41.710 -17.893 -12.939 44 HA PRO 691 HA PRO 691 44.278 -15.127 -10.191 45 HB2 PRO 691 HB2 PRO 691 41.607 -13.988 -9.640 46 HB3 PRO 691 HB1 PRO 691 43.106 -13.168 -10.110 47 HG2 PRO 691 HG2 PRO 691 41.030 -13.447 -11.787 48 HG3 PRO 691 HG1 PRO 691 42.712 -13.435 -12.343 49 HD2 PRO 691 HD2 PRO 691 40.848 -15.757 -12.027 50 HD3 PRO 691 HD1 PRO 691 42.115 -15.483 -13.243 51 H ASP 692 HN ASP 692 44.455 -15.260 -7.955 52 HA ASP 692 HA ASP 692 43.253 -17.498 -6.675 53 HB2 ASP 692 HB2 ASP 692 44.967 -15.219 -5.723 54 HB3 ASP 692 HB1 ASP 692 44.290 -16.377 -4.584 55 H ILE 693 HN ILE 693 41.653 -17.609 -5.168 56 HA ILE 693 HA ILE 693 39.501 -15.792 -5.334 57 HB ILE 693 HB ILE 693 40.092 -18.037 -3.394 58 HG12 ILE 693 HG12 ILE 693 38.093 -17.873 -5.666 59 HG13 ILE 693 HG11 ILE 693 39.716 -18.535 -5.862 60 HG21 ILE 693 HG21 ILE 693 38.503 -16.981 -2.138 61 HG22 ILE 693 HG22 ILE 693 37.394 -17.687 -3.314 62 HG23 ILE 693 HG23 ILE 693 37.927 -16.016 -3.497 63 HD11 ILE 693 HD11 ILE 693 37.577 -19.545 -3.965 64 HD12 ILE 693 HD12 ILE 693 39.231 -20.154 -4.019 65 HD13 ILE 693 HD13 ILE 693 38.168 -20.362 -5.411 66 H LEU 694 HN LEU 694 41.975 -16.375 -2.887 67 HA LEU 694 HA LEU 694 41.010 -14.551 -0.960 68 HB2 LEU 694 HB2 LEU 694 43.793 -15.584 -1.543 69 HB3 LEU 694 HB1 LEU 694 43.409 -14.572 -0.153 70 HG LEU 694 HG LEU 694 42.027 -17.200 -0.772 71 HD11 LEU 694 HD11 LEU 694 44.256 -17.809 -0.265 72 HD12 LEU 694 HD12 LEU 694 43.403 -17.956 1.272 73 HD13 LEU 694 HD13 LEU 694 44.413 -16.545 0.955 74 HD21 LEU 694 HD21 LEU 694 40.558 -16.167 0.674 75 HD22 LEU 694 HD22 LEU 694 41.800 -15.133 1.376 76 HD23 LEU 694 HD23 LEU 694 41.679 -16.821 1.866 77 H VAL 695 HN VAL 695 43.179 -14.233 -3.732 78 HA VAL 695 HA VAL 695 43.935 -11.526 -3.245 79 HB VAL 695 HB VAL 695 43.868 -13.168 -5.784 80 HG11 VAL 695 HG11 VAL 695 45.584 -11.155 -6.325 81 HG12 VAL 695 HG12 VAL 695 44.450 -10.294 -5.284 82 HG13 VAL 695 HG13 VAL 695 43.874 -11.085 -6.751 83 HG21 VAL 695 HG21 VAL 695 46.176 -12.178 -4.081 84 HG22 VAL 695 HG22 VAL 695 46.271 -13.298 -5.440 85 HG23 VAL 695 HG23 VAL 695 45.479 -13.791 -3.942 86 H VAL 696 HN VAL 696 41.412 -13.071 -5.133 87 HA VAL 696 HA VAL 696 40.264 -10.730 -6.221 88 HB VAL 696 HB VAL 696 39.090 -13.458 -5.630 89 HG11 VAL 696 HG11 VAL 696 37.936 -10.990 -6.909 90 HG12 VAL 696 HG12 VAL 696 37.187 -12.091 -5.753 91 HG13 VAL 696 HG13 VAL 696 37.405 -12.590 -7.431 92 HG21 VAL 696 HG21 VAL 696 39.568 -12.402 -8.376 93 HG22 VAL 696 HG22 VAL 696 39.746 -14.044 -7.757 94 HG23 VAL 696 HG23 VAL 696 40.994 -12.841 -7.435 95 H LEU 697 HN LEU 697 39.649 -12.608 -3.266 96 HA LEU 697 HA LEU 697 37.405 -11.143 -2.401 97 HB2 LEU 697 HB2 LEU 697 38.012 -13.317 -1.454 98 HB3 LEU 697 HB1 LEU 697 39.489 -12.631 -0.783 99 HG LEU 697 HG LEU 697 38.174 -11.138 0.657 100 HD11 LEU 697 HD11 LEU 697 36.202 -10.602 -0.457 101 HD12 LEU 697 HD12 LEU 697 35.613 -11.792 0.704 102 HD13 LEU 697 HD13 LEU 697 35.918 -12.266 -0.967 103 HD21 LEU 697 HD21 LEU 697 38.150 -12.833 2.134 104 HD22 LEU 697 HD22 LEU 697 38.234 -13.987 0.803 105 HD23 LEU 697 HD23 LEU 697 36.667 -13.452 1.408 106 H LEU 698 HN LEU 698 40.871 -10.652 -1.758 107 HA LEU 698 HA LEU 698 40.550 -8.530 0.089 108 HB2 LEU 698 HB2 LEU 698 42.837 -9.289 -1.734 109 HB3 LEU 698 HB1 LEU 698 42.938 -7.972 -0.569 110 HG LEU 698 HG LEU 698 42.187 -10.818 0.161 111 HD11 LEU 698 HD11 LEU 698 44.373 -11.285 -0.162 112 HD12 LEU 698 HD12 LEU 698 44.679 -10.276 1.251 113 HD13 LEU 698 HD13 LEU 698 44.785 -9.583 -0.367 114 HD21 LEU 698 HD21 LEU 698 42.308 -8.267 1.608 115 HD22 LEU 698 HD22 LEU 698 43.276 -9.528 2.367 116 HD23 LEU 698 HD23 LEU 698 41.558 -9.792 2.078 117 H SER 699 HN SER 699 41.002 -8.660 -3.405 118 HA SER 699 HA SER 699 41.059 -5.876 -3.860 119 HB2 SER 699 HB2 SER 699 40.507 -6.503 -6.193 120 HB3 SER 699 HB1 SER 699 41.815 -7.485 -5.536 121 HG SER 699 HG SER 699 40.083 -9.005 -4.944 122 H VAL 700 HN VAL 700 38.472 -8.216 -3.487 123 HA VAL 700 HA VAL 700 36.349 -6.555 -4.413 124 HB VAL 700 HB VAL 700 36.368 -8.912 -2.517 125 HG11 VAL 700 HG11 VAL 700 34.391 -7.770 -1.947 126 HG12 VAL 700 HG12 VAL 700 33.860 -8.903 -3.190 127 HG13 VAL 700 HG13 VAL 700 34.132 -7.210 -3.599 128 HG21 VAL 700 HG21 VAL 700 36.247 -10.198 -4.374 129 HG22 VAL 700 HG22 VAL 700 36.732 -8.760 -5.273 130 HG23 VAL 700 HG23 VAL 700 35.022 -9.155 -5.098 131 H MET 701 HN MET 701 37.743 -7.242 -1.244 132 HA MET 701 HA MET 701 36.022 -5.620 0.276 133 HB2 MET 701 HB2 MET 701 37.561 -7.301 1.254 134 HB3 MET 701 HB1 MET 701 38.931 -6.288 0.804 135 HG2 MET 701 HG2 MET 701 38.090 -4.472 2.223 136 HG3 MET 701 HG1 MET 701 36.671 -5.433 2.634 137 HE1 MET 701 HE1 MET 701 40.581 -6.761 2.399 138 HE2 MET 701 HE2 MET 701 41.007 -5.937 3.896 139 HE3 MET 701 HE3 MET 701 40.329 -5.017 2.557 140 H GLY 702 HN GLY 702 39.037 -4.967 -1.454 141 HA2 GLY 702 HA2 GLY 702 39.438 -2.317 -0.528 142 HA3 GLY 702 HA1 GLY 702 40.058 -2.977 -2.041 143 H ALA 703 HN ALA 703 37.620 -3.637 -3.264 144 HA ALA 703 HA ALA 703 36.909 -1.190 -4.466 145 HB1 ALA 703 HB1 ALA 703 36.648 -3.332 -5.620 146 HB2 ALA 703 HB2 ALA 703 35.100 -2.489 -5.542 147 HB3 ALA 703 HB3 ALA 703 35.429 -3.832 -4.448 148 H ILE 704 HN ILE 704 35.452 -3.058 -1.834 149 HA ILE 704 HA ILE 704 33.020 -1.652 -1.681 150 HB ILE 704 HB ILE 704 34.610 -3.119 0.426 151 HG12 ILE 704 HG12 ILE 704 32.063 -3.886 -1.031 152 HG13 ILE 704 HG11 ILE 704 33.668 -4.368 -1.578 153 HG21 ILE 704 HG21 ILE 704 31.886 -1.812 0.511 154 HG22 ILE 704 HG22 ILE 704 33.216 -1.635 1.655 155 HG23 ILE 704 HG23 ILE 704 32.309 -3.145 1.585 156 HD11 ILE 704 HD11 ILE 704 33.743 -6.035 -0.067 157 HD12 ILE 704 HD12 ILE 704 32.065 -5.677 0.336 158 HD13 ILE 704 HD13 ILE 704 33.371 -4.920 1.248 159 H LEU 705 HN LEU 705 36.152 -1.086 -0.044 160 HA LEU 705 HA LEU 705 35.243 1.082 1.524 161 HB2 LEU 705 HB2 LEU 705 37.947 0.153 0.637 162 HB3 LEU 705 HB1 LEU 705 37.786 1.737 1.390 163 HG LEU 705 HG LEU 705 36.623 0.641 3.327 164 HD11 LEU 705 HD11 LEU 705 36.824 -1.808 3.554 165 HD12 LEU 705 HD12 LEU 705 37.499 -1.899 1.931 166 HD13 LEU 705 HD13 LEU 705 35.830 -1.382 2.163 167 HD21 LEU 705 HD21 LEU 705 39.369 -0.480 2.691 168 HD22 LEU 705 HD22 LEU 705 38.665 -0.291 4.298 169 HD23 LEU 705 HD23 LEU 705 39.062 1.133 3.336 170 H LEU 706 HN LEU 706 36.702 1.015 -1.733 171 HA LEU 706 HA LEU 706 36.976 3.790 -2.026 172 HB2 LEU 706 HB2 LEU 706 38.076 2.193 -3.506 173 HB3 LEU 706 HB1 LEU 706 36.516 1.664 -4.129 174 HG LEU 706 HG LEU 706 36.097 3.896 -5.063 175 HD11 LEU 706 HD11 LEU 706 38.253 5.422 -5.024 176 HD12 LEU 706 HD12 LEU 706 38.609 4.529 -3.546 177 HD13 LEU 706 HD13 LEU 706 37.119 5.464 -3.675 178 HD21 LEU 706 HD21 LEU 706 37.581 3.727 -6.873 179 HD22 LEU 706 HD22 LEU 706 37.602 2.095 -6.204 180 HD23 LEU 706 HD23 LEU 706 38.921 3.211 -5.849 181 H ILE 707 HN ILE 707 34.230 1.681 -2.923 182 HA ILE 707 HA ILE 707 32.760 3.790 -4.126 183 HB ILE 707 HB ILE 707 32.319 1.405 -4.603 184 HG12 ILE 707 HG12 ILE 707 29.870 2.797 -3.496 185 HG13 ILE 707 HG11 ILE 707 30.655 3.274 -5.003 186 HG21 ILE 707 HG21 ILE 707 30.873 0.148 -3.022 187 HG22 ILE 707 HG22 ILE 707 31.099 1.424 -1.829 188 HG23 ILE 707 HG23 ILE 707 32.474 0.474 -2.379 189 HD11 ILE 707 HD11 ILE 707 28.736 1.683 -5.329 190 HD12 ILE 707 HD12 ILE 707 29.654 0.471 -4.434 191 HD13 ILE 707 HD13 ILE 707 30.268 1.087 -5.969 192 H GLY 708 HN GLY 708 32.813 2.559 -0.809 193 HA2 GLY 708 HA2 GLY 708 30.576 4.071 0.105 194 HA3 GLY 708 HA1 GLY 708 31.825 3.356 1.122 195 H LEU 709 HN LEU 709 34.071 4.614 0.148 196 HA LEU 709 HA LEU 709 34.006 7.125 1.461 197 HB2 LEU 709 HB2 LEU 709 36.051 5.517 0.002 198 HB3 LEU 709 HB1 LEU 709 36.367 7.229 0.245 199 HG LEU 709 HG LEU 709 37.245 5.639 2.051 200 HD11 LEU 709 HD11 LEU 709 35.897 8.194 2.292 201 HD12 LEU 709 HD12 LEU 709 37.348 7.616 3.107 202 HD13 LEU 709 HD13 LEU 709 35.759 7.270 3.787 203 HD21 LEU 709 HD21 LEU 709 35.802 4.587 3.539 204 HD22 LEU 709 HD22 LEU 709 34.912 4.404 2.035 205 HD23 LEU 709 HD23 LEU 709 34.460 5.666 3.177 206 H ALA 710 HN ALA 710 33.895 6.087 -1.887 207 HA ALA 710 HA ALA 710 34.572 8.277 -3.312 208 HB1 ALA 710 HB1 ALA 710 32.253 7.572 -4.611 209 HB2 ALA 710 HB2 ALA 710 32.658 6.112 -3.709 210 HB3 ALA 710 HB3 ALA 710 33.826 6.808 -4.827 211 HA PRO 711 HA PRO 711 30.352 10.524 -2.954 212 HB2 PRO 711 HB2 PRO 711 28.698 9.722 -0.885 213 HB3 PRO 711 HB1 PRO 711 28.538 9.196 -2.571 214 HG2 PRO 711 HG2 PRO 711 29.763 7.791 -0.258 215 HG3 PRO 711 HG1 PRO 711 28.806 7.142 -1.600 216 HD2 PRO 711 HD2 PRO 711 31.510 6.905 -1.500 217 HD3 PRO 711 HD1 PRO 711 30.627 7.043 -3.032 218 H LEU 712 HN LEU 712 31.838 9.347 0.045 219 HA LEU 712 HA LEU 712 31.314 11.683 1.584 220 HB2 LEU 712 HB2 LEU 712 33.244 9.394 1.817 221 HB3 LEU 712 HB1 LEU 712 33.437 10.814 2.845 222 HG LEU 712 HG LEU 712 31.115 10.563 3.639 223 HD11 LEU 712 HD11 LEU 712 31.114 8.462 1.530 224 HD12 LEU 712 HD12 LEU 712 29.820 9.545 2.034 225 HD13 LEU 712 HD13 LEU 712 30.206 8.120 3.000 226 HD21 LEU 712 HD21 LEU 712 32.867 8.096 3.829 227 HD22 LEU 712 HD22 LEU 712 31.440 8.356 4.833 228 HD23 LEU 712 HD23 LEU 712 32.814 9.455 4.951 229 H LEU 713 HN LEU 713 33.987 10.604 -0.481 230 HA LEU 713 HA LEU 713 35.647 12.854 -0.040 231 HB2 LEU 713 HB2 LEU 713 35.448 10.898 -2.335 232 HB3 LEU 713 HB1 LEU 713 36.690 12.143 -2.233 233 HG LEU 713 HG LEU 713 36.186 10.072 -0.074 234 HD11 LEU 713 HD11 LEU 713 38.294 10.121 -2.252 235 HD12 LEU 713 HD12 LEU 713 36.944 8.991 -2.149 236 HD13 LEU 713 HD13 LEU 713 38.217 8.958 -0.929 237 HD21 LEU 713 HD21 LEU 713 38.095 12.343 -0.438 238 HD22 LEU 713 HD22 LEU 713 38.730 10.865 0.279 239 HD23 LEU 713 HD23 LEU 713 37.377 11.701 1.038 240 H ILE 714 HN ILE 714 33.191 12.098 -2.501 241 HA ILE 714 HA ILE 714 33.520 14.495 -3.980 242 HB ILE 714 HB ILE 714 31.159 12.631 -3.677 243 HG12 ILE 714 HG12 ILE 714 33.145 11.637 -4.744 244 HG13 ILE 714 HG11 ILE 714 31.843 11.836 -5.908 245 HG21 ILE 714 HG21 ILE 714 31.435 15.220 -5.074 246 HG22 ILE 714 HG22 ILE 714 29.985 14.379 -4.524 247 HG23 ILE 714 HG23 ILE 714 30.750 13.915 -6.043 248 HD11 ILE 714 HD11 ILE 714 34.486 13.189 -5.767 249 HD12 ILE 714 HD12 ILE 714 33.135 14.200 -6.269 250 HD13 ILE 714 HD13 ILE 714 33.525 12.741 -7.173 251 H TRP 715 HN TRP 715 31.328 13.570 -1.328 252 HA TRP 715 HA TRP 715 29.953 16.040 -1.208 253 HB2 TRP 715 HB2 TRP 715 29.093 13.961 -0.205 254 HB3 TRP 715 HB1 TRP 715 30.437 13.948 0.933 255 HD1 TRP 715 HD1 TRP 715 27.357 16.059 -0.003 256 HE1 TRP 715 HE1 TRP 715 26.605 17.367 2.087 257 HE3 TRP 715 HE3 TRP 715 31.118 14.811 3.220 258 HZ2 TRP 715 HZ2 TRP 715 27.477 17.817 4.774 259 HZ3 TRP 715 HZ3 TRP 715 31.129 15.690 5.537 260 HH2 TRP 715 HH2 TRP 715 29.316 17.189 6.318 261 H ALA 716 HN ALA 716 32.720 14.707 0.585 262 HA ALA 716 HA ALA 716 33.155 16.906 2.262 263 HB1 ALA 716 HB1 ALA 716 35.119 14.890 1.150 264 HB2 ALA 716 HB2 ALA 716 34.246 14.778 2.679 265 HB3 ALA 716 HB3 ALA 716 35.479 16.020 2.456 266 H LEU 717 HN LEU 717 34.403 16.187 -0.989 267 HA LEU 717 HA LEU 717 36.123 18.402 -1.161 268 HB2 LEU 717 HB2 LEU 717 34.769 16.656 -3.205 269 HB3 LEU 717 HB1 LEU 717 35.711 18.058 -3.706 270 HG LEU 717 HG LEU 717 36.777 15.892 -1.872 271 HD11 LEU 717 HD11 LEU 717 36.727 14.627 -3.761 272 HD12 LEU 717 HD12 LEU 717 38.122 15.600 -4.228 273 HD13 LEU 717 HD13 LEU 717 36.513 16.028 -4.811 274 HD21 LEU 717 HD21 LEU 717 37.775 18.470 -2.805 275 HD22 LEU 717 HD22 LEU 717 38.843 17.156 -3.292 276 HD23 LEU 717 HD23 LEU 717 38.448 17.385 -1.590 277 H LEU 718 HN LEU 718 32.699 17.976 -2.058 278 HA LEU 718 HA LEU 718 32.402 20.573 -3.163 279 HB2 LEU 718 HB2 LEU 718 30.405 18.666 -1.939 280 HB3 LEU 718 HB1 LEU 718 29.943 20.199 -2.673 281 HG LEU 718 HG LEU 718 31.553 18.063 -4.112 282 HD11 LEU 718 HD11 LEU 718 28.600 18.500 -3.828 283 HD12 LEU 718 HD12 LEU 718 29.505 16.989 -3.882 284 HD13 LEU 718 HD13 LEU 718 29.228 17.902 -5.365 285 HD21 LEU 718 HD21 LEU 718 30.692 20.798 -4.749 286 HD22 LEU 718 HD22 LEU 718 30.179 19.624 -5.958 287 HD23 LEU 718 HD23 LEU 718 31.886 19.780 -5.552 288 H ILE 719 HN ILE 719 31.870 19.246 0.071 289 HA ILE 719 HA ILE 719 31.022 21.665 1.262 290 HB ILE 719 HB ILE 719 32.211 19.156 2.444 291 HG12 ILE 719 HG12 ILE 719 29.984 18.897 1.404 292 HG13 ILE 719 HG11 ILE 719 29.900 18.712 3.149 293 HG21 ILE 719 HG21 ILE 719 31.228 20.102 4.607 294 HG22 ILE 719 HG22 ILE 719 31.179 21.651 3.770 295 HG23 ILE 719 HG23 ILE 719 32.723 20.842 4.031 296 HD11 ILE 719 HD11 ILE 719 29.410 21.388 2.930 297 HD12 ILE 719 HD12 ILE 719 28.149 20.162 2.937 298 HD13 ILE 719 HD13 ILE 719 28.735 20.811 1.408 299 H THR 720 HN THR 720 34.138 19.995 1.023 300 HA THR 720 HA THR 720 35.578 21.961 2.500 301 HB THR 720 HB THR 720 36.694 20.215 0.289 302 HG1 THR 720 HG1 THR 720 36.756 18.600 1.686 303 HG21 THR 720 HG21 THR 720 37.920 21.442 2.761 304 HG22 THR 720 HG22 THR 720 38.210 21.962 1.103 305 HG23 THR 720 HG23 THR 720 38.763 20.373 1.643 306 H ILE 721 HN ILE 721 34.873 21.481 -0.958 307 HA ILE 721 HA ILE 721 36.396 23.719 -1.872 308 HB ILE 721 HB ILE 721 34.066 22.219 -3.076 309 HG12 ILE 721 HG12 ILE 721 36.567 21.346 -2.795 310 HG13 ILE 721 HG11 ILE 721 35.688 21.036 -4.295 311 HG21 ILE 721 HG21 ILE 721 34.858 23.465 -5.214 312 HG22 ILE 721 HG22 ILE 721 35.591 24.600 -4.077 313 HG23 ILE 721 HG23 ILE 721 33.852 24.351 -4.063 314 HD11 ILE 721 HD11 ILE 721 37.375 23.525 -3.953 315 HD12 ILE 721 HD12 ILE 721 36.825 22.760 -5.441 316 HD13 ILE 721 HD13 ILE 721 38.081 21.997 -4.472 317 H HIS 722 HN HIS 722 33.019 23.317 -0.935 318 HA HIS 722 HA HIS 722 32.112 25.912 -1.620 319 HB2 HIS 722 HB2 HIS 722 31.153 23.755 0.194 320 HB3 HIS 722 HB1 HIS 722 30.493 25.378 0.413 321 HD1 HIS 722 HD1 HIS 722 30.691 22.569 -2.055 322 HD2 HIS 722 HD2 HIS 722 28.773 26.244 -1.608 323 HE1 HIS 722 HE1 HIS 722 28.938 22.693 -3.889 324 H ASP 723 HN ASP 723 33.888 24.671 1.141 325 HA ASP 723 HA ASP 723 35.381 26.131 2.437 326 HB2 ASP 723 HB2 ASP 723 34.506 28.233 1.298 327 HB3 ASP 723 HB1 ASP 723 33.201 28.240 2.490 328 H ARG 724 HN ARG 724 33.915 23.981 3.124 329 HA ARG 724 HA ARG 724 32.674 23.010 4.934 330 HB2 ARG 724 HB2 ARG 724 34.456 25.036 6.295 331 HB3 ARG 724 HB1 ARG 724 33.539 23.801 7.158 332 HG2 ARG 724 HG2 ARG 724 34.681 22.037 5.888 333 HG3 ARG 724 HG1 ARG 724 35.567 23.254 4.969 334 HD2 ARG 724 HD2 ARG 724 36.616 24.064 7.053 335 HD3 ARG 724 HD1 ARG 724 35.724 22.852 7.969 336 HE ARG 724 HE ARG 724 37.136 21.481 5.993 337 HH11 ARG 724 HH21 ARG 724 37.757 23.524 8.722 338 HH12 ARG 724 HH22 ARG 724 39.284 22.795 9.092 339 HH21 ARG 724 HH11 ARG 724 39.139 20.530 6.474 340 HH22 ARG 724 HH12 ARG 724 40.064 21.102 7.821 341 H LYS 725 HN LYS 725 30.599 23.865 4.219 342 HA LYS 725 HA LYS 725 29.525 26.321 5.094 343 HB2 LYS 725 HB2 LYS 725 28.552 24.901 3.294 344 HB3 LYS 725 HB1 LYS 725 28.048 23.740 4.526 345 HG2 LYS 725 HG2 LYS 725 26.688 25.462 5.622 346 HG3 LYS 725 HG1 LYS 725 27.222 26.655 4.439 347 HD2 LYS 725 HD2 LYS 725 26.198 25.325 2.629 348 HD3 LYS 725 HD1 LYS 725 25.654 24.135 3.810 349 HE2 LYS 725 HE2 LYS 725 23.821 25.670 3.288 350 HE3 LYS 725 HE1 LYS 725 24.337 25.914 4.957 351 HZ1 LYS 725 HZ1 LYS 725 24.254 27.781 2.883 352 HZ2 LYS 725 HZ2 LYS 725 25.888 27.550 3.289 353 HZ3 LYS 725 HZ3 LYS 725 24.770 28.017 4.481 354 H GLU 726 HN GLU 726 29.427 23.056 6.513 355 HA GLU 726 HA GLU 726 27.787 23.762 8.727 356 HB2 GLU 726 HB2 GLU 726 29.737 21.500 8.288 357 HB3 GLU 726 HB1 GLU 726 28.685 21.623 9.699 358 HG2 GLU 726 HG2 GLU 726 26.700 21.607 8.253 359 HG3 GLU 726 HG1 GLU 726 27.723 21.572 6.818 360 H PHE 727 HN PHE 727 31.275 23.715 8.215 361 HA PHE 727 HA PHE 727 33.028 24.499 9.469 362 HB2 PHE 727 HB2 PHE 727 30.843 26.271 10.585 363 HB3 PHE 727 HB1 PHE 727 32.560 26.486 10.912 364 HD1 PHE 727 HD1 PHE 727 34.116 26.561 8.776 365 HD2 PHE 727 HD2 PHE 727 29.897 27.369 8.748 366 HE1 PHE 727 HE1 PHE 727 34.370 27.814 6.651 367 HE2 PHE 727 HE2 PHE 727 30.150 28.617 6.620 368 HZ PHE 727 HZ PHE 727 32.386 28.840 5.571 Start of MODEL 19 1 H2 PRO 685 HT1 PRO 685 44.321 -28.318 2.685 2 H3 PRO 685 HT2 PRO 685 45.863 -27.778 3.156 3 HA PRO 685 HA PRO 685 46.758 -29.576 2.267 4 HB2 PRO 685 HB2 PRO 685 45.184 -31.603 3.677 5 HB3 PRO 685 HB1 PRO 685 46.909 -31.216 3.831 6 HG2 PRO 685 HG2 PRO 685 45.064 -30.645 5.740 7 HG3 PRO 685 HG1 PRO 685 46.560 -29.727 5.505 8 HD2 PRO 685 HD2 PRO 685 43.761 -28.992 4.746 9 HD3 PRO 685 HD1 PRO 685 45.105 -27.946 5.247 10 H GLU 686 HN GLU 686 46.000 -32.010 1.449 11 HA GLU 686 HA GLU 686 45.005 -33.006 -0.376 12 HB2 GLU 686 HB2 GLU 686 43.341 -33.411 1.408 13 HB3 GLU 686 HB1 GLU 686 42.538 -31.900 0.996 14 HG2 GLU 686 HG2 GLU 686 41.331 -33.681 -0.090 15 HG3 GLU 686 HG1 GLU 686 42.207 -32.816 -1.345 16 H SER 687 HN SER 687 42.474 -30.577 -0.195 17 HA SER 687 HA SER 687 42.807 -29.909 -2.964 18 HB2 SER 687 HB2 SER 687 41.166 -27.977 -1.725 19 HB3 SER 687 HB1 SER 687 40.654 -29.378 -2.662 20 HG SER 687 HG SER 687 39.767 -29.748 -0.728 21 HA PRO 688 HA PRO 688 45.489 -26.435 -2.659 22 HB2 PRO 688 HB2 PRO 688 44.525 -24.731 -4.527 23 HB3 PRO 688 HB1 PRO 688 45.250 -26.294 -4.962 24 HG2 PRO 688 HG2 PRO 688 42.359 -25.576 -4.667 25 HG3 PRO 688 HG1 PRO 688 43.166 -26.466 -5.974 26 HD2 PRO 688 HD2 PRO 688 41.839 -27.754 -3.984 27 HD3 PRO 688 HD1 PRO 688 43.297 -28.442 -4.738 28 H LYS 689 HN LYS 689 45.750 -24.325 -1.810 29 HA LYS 689 HA LYS 689 43.873 -23.543 0.148 30 HB2 LYS 689 HB2 LYS 689 46.209 -22.073 -1.074 31 HB3 LYS 689 HB1 LYS 689 45.295 -21.471 0.308 32 HG2 LYS 689 HG2 LYS 689 45.815 -23.572 1.538 33 HG3 LYS 689 HG1 LYS 689 46.789 -24.109 0.173 34 HD2 LYS 689 HD2 LYS 689 47.317 -21.515 1.642 35 HD3 LYS 689 HD1 LYS 689 48.080 -23.037 2.089 36 HE2 LYS 689 HE2 LYS 689 48.913 -23.208 -0.300 37 HE3 LYS 689 HE1 LYS 689 48.343 -21.558 -0.542 38 HZ1 LYS 689 HZ1 LYS 689 49.912 -20.700 0.828 39 HZ2 LYS 689 HZ2 LYS 689 50.771 -22.045 0.247 40 HZ3 LYS 689 HZ3 LYS 689 50.035 -22.100 1.778 41 H GLY 690 HN GLY 690 44.572 -22.291 -3.096 42 HA2 GLY 690 HA2 GLY 690 43.058 -21.247 -4.547 43 HA3 GLY 690 HA1 GLY 690 41.900 -21.142 -3.224 44 HA PRO 691 HA PRO 691 44.877 -17.495 -2.259 45 HB2 PRO 691 HB2 PRO 691 47.017 -17.137 -3.959 46 HB3 PRO 691 HB1 PRO 691 47.088 -18.075 -2.457 47 HG2 PRO 691 HG2 PRO 691 46.806 -19.017 -5.263 48 HG3 PRO 691 HG1 PRO 691 47.743 -19.710 -3.927 49 HD2 PRO 691 HD2 PRO 691 45.342 -20.734 -4.714 50 HD3 PRO 691 HD1 PRO 691 45.903 -20.810 -3.028 51 H ASP 692 HN ASP 692 44.016 -18.426 -5.464 52 HA ASP 692 HA ASP 692 44.064 -15.820 -6.687 53 HB2 ASP 692 HB2 ASP 692 42.776 -18.448 -7.356 54 HB3 ASP 692 HB1 ASP 692 42.278 -16.997 -8.217 55 H ILE 693 HN ILE 693 41.698 -17.723 -4.944 56 HA ILE 693 HA ILE 693 39.459 -15.997 -5.263 57 HB ILE 693 HB ILE 693 40.106 -18.066 -3.144 58 HG12 ILE 693 HG12 ILE 693 38.180 -18.161 -5.493 59 HG13 ILE 693 HG11 ILE 693 39.843 -18.744 -5.591 60 HG21 ILE 693 HG21 ILE 693 37.467 -17.880 -3.016 61 HG22 ILE 693 HG22 ILE 693 37.773 -16.241 -3.589 62 HG23 ILE 693 HG23 ILE 693 38.487 -16.792 -2.074 63 HD11 ILE 693 HD11 ILE 693 38.204 -20.553 -5.053 64 HD12 ILE 693 HD12 ILE 693 37.822 -19.703 -3.555 65 HD13 ILE 693 HD13 ILE 693 39.444 -20.344 -3.815 66 H LEU 694 HN LEU 694 42.008 -16.343 -2.828 67 HA LEU 694 HA LEU 694 40.902 -14.410 -1.007 68 HB2 LEU 694 HB2 LEU 694 43.644 -15.586 -1.328 69 HB3 LEU 694 HB1 LEU 694 43.430 -14.177 -0.289 70 HG LEU 694 HG LEU 694 41.630 -15.418 0.938 71 HD11 LEU 694 HD11 LEU 694 42.557 -17.659 -0.871 72 HD12 LEU 694 HD12 LEU 694 40.936 -16.972 -0.793 73 HD13 LEU 694 HD13 LEU 694 41.571 -17.903 0.566 74 HD21 LEU 694 HD21 LEU 694 43.248 -17.138 1.955 75 HD22 LEU 694 HD22 LEU 694 43.801 -15.462 1.942 76 HD23 LEU 694 HD23 LEU 694 44.406 -16.601 0.740 77 H VAL 695 HN VAL 695 43.061 -14.198 -3.787 78 HA VAL 695 HA VAL 695 43.797 -11.438 -3.409 79 HB VAL 695 HB VAL 695 43.669 -13.146 -5.910 80 HG11 VAL 695 HG11 VAL 695 43.500 -10.934 -6.744 81 HG12 VAL 695 HG12 VAL 695 45.233 -11.264 -6.773 82 HG13 VAL 695 HG13 VAL 695 44.543 -10.289 -5.476 83 HG21 VAL 695 HG21 VAL 695 46.250 -12.150 -4.940 84 HG22 VAL 695 HG22 VAL 695 45.774 -13.796 -5.360 85 HG23 VAL 695 HG23 VAL 695 45.423 -13.159 -3.753 86 H VAL 696 HN VAL 696 41.229 -13.054 -5.210 87 HA VAL 696 HA VAL 696 40.063 -10.739 -6.321 88 HB VAL 696 HB VAL 696 38.889 -13.447 -5.639 89 HG11 VAL 696 HG11 VAL 696 36.993 -12.077 -5.742 90 HG12 VAL 696 HG12 VAL 696 37.165 -12.607 -7.415 91 HG13 VAL 696 HG13 VAL 696 37.716 -11.000 -6.938 92 HG21 VAL 696 HG21 VAL 696 40.755 -12.943 -7.488 93 HG22 VAL 696 HG22 VAL 696 39.346 -12.418 -8.411 94 HG23 VAL 696 HG23 VAL 696 39.433 -14.070 -7.799 95 H LEU 697 HN LEU 697 39.483 -12.529 -3.303 96 HA LEU 697 HA LEU 697 37.281 -10.970 -2.456 97 HB2 LEU 697 HB2 LEU 697 39.276 -12.638 -0.931 98 HB3 LEU 697 HB1 LEU 697 37.926 -11.829 -0.146 99 HG LEU 697 HG LEU 697 37.585 -13.694 -2.506 100 HD11 LEU 697 HD11 LEU 697 37.332 -14.287 0.453 101 HD12 LEU 697 HD12 LEU 697 38.562 -14.939 -0.629 102 HD13 LEU 697 HD13 LEU 697 36.869 -15.387 -0.846 103 HD21 LEU 697 HD21 LEU 697 35.307 -13.667 -0.866 104 HD22 LEU 697 HD22 LEU 697 35.478 -12.884 -2.435 105 HD23 LEU 697 HD23 LEU 697 35.806 -11.981 -0.961 106 H LEU 698 HN LEU 698 40.766 -10.560 -1.862 107 HA LEU 698 HA LEU 698 40.502 -8.414 -0.031 108 HB2 LEU 698 HB2 LEU 698 42.759 -9.226 -1.870 109 HB3 LEU 698 HB1 LEU 698 42.890 -7.897 -0.723 110 HG LEU 698 HG LEU 698 42.102 -10.710 0.071 111 HD11 LEU 698 HD11 LEU 698 44.324 -10.945 -0.695 112 HD12 LEU 698 HD12 LEU 698 44.492 -10.692 1.042 113 HD13 LEU 698 HD13 LEU 698 44.793 -9.361 -0.078 114 HD21 LEU 698 HD21 LEU 698 42.282 -8.145 1.462 115 HD22 LEU 698 HD22 LEU 698 43.281 -9.384 2.216 116 HD23 LEU 698 HD23 LEU 698 41.555 -9.661 1.991 117 H SER 699 HN SER 699 40.903 -8.581 -3.527 118 HA SER 699 HA SER 699 41.011 -5.807 -4.014 119 HB2 SER 699 HB2 SER 699 40.412 -6.450 -6.330 120 HB3 SER 699 HB1 SER 699 41.694 -7.470 -5.676 121 HG SER 699 HG SER 699 39.924 -8.926 -5.045 122 H VAL 700 HN VAL 700 38.381 -8.096 -3.580 123 HA VAL 700 HA VAL 700 36.271 -6.401 -4.482 124 HB VAL 700 HB VAL 700 36.283 -8.748 -2.568 125 HG11 VAL 700 HG11 VAL 700 34.064 -6.994 -3.594 126 HG12 VAL 700 HG12 VAL 700 34.330 -7.599 -1.959 127 HG13 VAL 700 HG13 VAL 700 33.756 -8.689 -3.222 128 HG21 VAL 700 HG21 VAL 700 36.592 -8.604 -5.334 129 HG22 VAL 700 HG22 VAL 700 34.884 -8.985 -5.118 130 HG23 VAL 700 HG23 VAL 700 36.117 -10.035 -4.418 131 H MET 701 HN MET 701 37.689 -7.092 -1.324 132 HA MET 701 HA MET 701 36.024 -5.424 0.207 133 HB2 MET 701 HB2 MET 701 37.533 -7.140 1.179 134 HB3 MET 701 HB1 MET 701 38.923 -6.161 0.707 135 HG2 MET 701 HG2 MET 701 38.134 -4.318 2.125 136 HG3 MET 701 HG1 MET 701 36.699 -5.247 2.553 137 HE1 MET 701 HE1 MET 701 41.033 -5.830 3.780 138 HE2 MET 701 HE2 MET 701 40.363 -4.922 2.430 139 HE3 MET 701 HE3 MET 701 40.576 -6.665 2.291 140 H GLY 702 HN GLY 702 39.035 -4.855 -1.554 141 HA2 GLY 702 HA2 GLY 702 39.484 -2.205 -0.639 142 HA3 GLY 702 HA1 GLY 702 40.115 -2.897 -2.132 143 H ALA 703 HN ALA 703 37.719 -3.495 -3.429 144 HA ALA 703 HA ALA 703 37.089 -1.023 -4.622 145 HB1 ALA 703 HB1 ALA 703 35.105 -2.420 -5.563 146 HB2 ALA 703 HB2 ALA 703 35.893 -3.773 -4.756 147 HB3 ALA 703 HB3 ALA 703 36.750 -2.873 -6.008 148 H ILE 704 HN ILE 704 35.375 -2.927 -2.153 149 HA ILE 704 HA ILE 704 33.025 -1.383 -2.104 150 HB ILE 704 HB ILE 704 34.356 -3.012 0.063 151 HG12 ILE 704 HG12 ILE 704 31.915 -3.610 -1.643 152 HG13 ILE 704 HG11 ILE 704 33.542 -4.127 -2.081 153 HG21 ILE 704 HG21 ILE 704 31.756 -2.941 0.768 154 HG22 ILE 704 HG22 ILE 704 31.877 -1.355 0.003 155 HG23 ILE 704 HG23 ILE 704 32.922 -1.760 1.365 156 HD11 ILE 704 HD11 ILE 704 31.783 -5.547 -0.473 157 HD12 ILE 704 HD12 ILE 704 32.868 -4.790 0.693 158 HD13 ILE 704 HD13 ILE 704 33.521 -5.822 -0.580 159 H LEU 705 HN LEU 705 36.114 -1.101 -0.336 160 HA LEU 705 HA LEU 705 35.322 1.009 1.372 161 HB2 LEU 705 HB2 LEU 705 38.033 0.248 0.264 162 HB3 LEU 705 HB1 LEU 705 37.829 1.560 1.424 163 HG LEU 705 HG LEU 705 36.884 -1.291 1.872 164 HD11 LEU 705 HD11 LEU 705 39.214 -1.496 1.917 165 HD12 LEU 705 HD12 LEU 705 38.830 -1.168 3.607 166 HD13 LEU 705 HD13 LEU 705 39.443 0.125 2.574 167 HD21 LEU 705 HD21 LEU 705 35.648 -0.200 3.446 168 HD22 LEU 705 HD22 LEU 705 36.644 1.251 3.372 169 HD23 LEU 705 HD23 LEU 705 37.171 -0.130 4.333 170 H LEU 706 HN LEU 706 36.732 1.081 -1.892 171 HA LEU 706 HA LEU 706 37.034 3.876 -2.080 172 HB2 LEU 706 HB2 LEU 706 36.613 1.747 -4.184 173 HB3 LEU 706 HB1 LEU 706 36.965 3.429 -4.571 174 HG LEU 706 HG LEU 706 38.704 1.705 -2.777 175 HD11 LEU 706 HD11 LEU 706 38.854 2.294 -5.738 176 HD12 LEU 706 HD12 LEU 706 38.837 0.720 -4.943 177 HD13 LEU 706 HD13 LEU 706 40.254 1.761 -4.809 178 HD21 LEU 706 HD21 LEU 706 40.325 3.643 -3.714 179 HD22 LEU 706 HD22 LEU 706 39.378 3.838 -2.240 180 HD23 LEU 706 HD23 LEU 706 38.801 4.524 -3.757 181 H ILE 707 HN ILE 707 34.311 1.751 -2.901 182 HA ILE 707 HA ILE 707 32.688 3.725 -4.101 183 HB ILE 707 HB ILE 707 31.989 1.146 -2.698 184 HG12 ILE 707 HG12 ILE 707 33.310 0.912 -4.770 185 HG13 ILE 707 HG11 ILE 707 31.677 0.301 -4.989 186 HG21 ILE 707 HG21 ILE 707 29.833 1.539 -4.191 187 HG22 ILE 707 HG22 ILE 707 30.264 3.234 -3.962 188 HG23 ILE 707 HG23 ILE 707 29.944 2.207 -2.563 189 HD11 ILE 707 HD11 ILE 707 31.768 1.573 -6.890 190 HD12 ILE 707 HD12 ILE 707 33.014 2.636 -6.243 191 HD13 ILE 707 HD13 ILE 707 31.329 2.883 -5.799 192 H GLY 708 HN GLY 708 32.899 2.621 -0.735 193 HA2 GLY 708 HA2 GLY 708 30.748 4.224 0.232 194 HA3 GLY 708 HA1 GLY 708 32.000 3.469 1.216 195 H LEU 709 HN LEU 709 34.240 4.654 0.082 196 HA LEU 709 HA LEU 709 34.363 7.119 1.455 197 HB2 LEU 709 HB2 LEU 709 36.266 5.718 -0.421 198 HB3 LEU 709 HB1 LEU 709 36.655 7.234 0.388 199 HG LEU 709 HG LEU 709 35.775 4.721 1.844 200 HD11 LEU 709 HD11 LEU 709 38.476 5.704 0.995 201 HD12 LEU 709 HD12 LEU 709 37.851 4.056 1.041 202 HD13 LEU 709 HD13 LEU 709 38.320 4.864 2.537 203 HD21 LEU 709 HD21 LEU 709 37.152 6.156 3.656 204 HD22 LEU 709 HD22 LEU 709 35.421 6.375 3.406 205 HD23 LEU 709 HD23 LEU 709 36.568 7.485 2.658 206 H ALA 710 HN ALA 710 33.981 6.232 -1.947 207 HA ALA 710 HA ALA 710 34.653 8.631 -3.133 208 HB1 ALA 710 HB1 ALA 710 32.451 7.848 -4.629 209 HB2 ALA 710 HB2 ALA 710 33.051 6.344 -3.921 210 HB3 ALA 710 HB3 ALA 710 34.124 7.360 -4.877 211 HA PRO 711 HA PRO 711 30.147 10.450 -2.659 212 HB2 PRO 711 HB2 PRO 711 29.330 9.024 -0.178 213 HB3 PRO 711 HB1 PRO 711 28.353 9.508 -1.576 214 HG2 PRO 711 HG2 PRO 711 29.074 6.970 -1.140 215 HG3 PRO 711 HG1 PRO 711 28.888 7.644 -2.767 216 HD2 PRO 711 HD2 PRO 711 31.381 6.950 -1.305 217 HD3 PRO 711 HD1 PRO 711 31.048 6.997 -3.042 218 H LEU 712 HN LEU 712 31.851 9.309 0.265 219 HA LEU 712 HA LEU 712 31.413 11.658 1.802 220 HB2 LEU 712 HB2 LEU 712 33.509 9.482 1.964 221 HB3 LEU 712 HB1 LEU 712 33.383 10.790 3.139 222 HG LEU 712 HG LEU 712 31.103 8.915 2.440 223 HD11 LEU 712 HD11 LEU 712 31.603 7.917 4.703 224 HD12 LEU 712 HD12 LEU 712 33.111 8.831 4.704 225 HD13 LEU 712 HD13 LEU 712 32.831 7.594 3.478 226 HD21 LEU 712 HD21 LEU 712 30.711 9.936 4.985 227 HD22 LEU 712 HD22 LEU 712 29.927 10.526 3.521 228 HD23 LEU 712 HD23 LEU 712 31.383 11.316 4.118 229 H LEU 713 HN LEU 713 34.058 10.545 -0.303 230 HA LEU 713 HA LEU 713 35.715 12.809 0.104 231 HB2 LEU 713 HB2 LEU 713 35.526 10.812 -2.156 232 HB3 LEU 713 HB1 LEU 713 36.751 12.077 -2.092 233 HG LEU 713 HG LEU 713 36.298 10.054 0.122 234 HD11 LEU 713 HD11 LEU 713 37.036 8.846 -1.835 235 HD12 LEU 713 HD12 LEU 713 38.417 9.018 -0.752 236 HD13 LEU 713 HD13 LEU 713 38.275 10.055 -2.171 237 HD21 LEU 713 HD21 LEU 713 38.002 12.423 -0.212 238 HD22 LEU 713 HD22 LEU 713 38.912 10.977 0.215 239 HD23 LEU 713 HD23 LEU 713 37.597 11.527 1.250 240 H ILE 714 HN ILE 714 33.245 12.003 -2.312 241 HA ILE 714 HA ILE 714 33.537 14.360 -3.858 242 HB ILE 714 HB ILE 714 31.188 12.492 -3.473 243 HG12 ILE 714 HG12 ILE 714 33.064 12.833 -5.829 244 HG13 ILE 714 HG11 ILE 714 33.335 11.650 -4.549 245 HG21 ILE 714 HG21 ILE 714 31.472 15.050 -4.936 246 HG22 ILE 714 HG22 ILE 714 30.016 14.234 -4.369 247 HG23 ILE 714 HG23 ILE 714 30.784 13.725 -5.873 248 HD11 ILE 714 HD11 ILE 714 31.099 10.668 -5.013 249 HD12 ILE 714 HD12 ILE 714 32.161 10.590 -6.420 250 HD13 ILE 714 HD13 ILE 714 30.893 11.814 -6.338 251 H TRP 715 HN TRP 715 31.383 13.504 -1.138 252 HA TRP 715 HA TRP 715 30.032 15.995 -1.078 253 HB2 TRP 715 HB2 TRP 715 29.142 13.971 0.016 254 HB3 TRP 715 HB1 TRP 715 30.497 13.987 1.145 255 HD1 TRP 715 HD1 TRP 715 30.203 15.362 3.272 256 HE1 TRP 715 HE1 TRP 715 28.502 17.112 4.104 257 HE3 TRP 715 HE3 TRP 715 27.458 16.019 -0.984 258 HZ2 TRP 715 HZ2 TRP 715 26.271 18.593 3.098 259 HZ3 TRP 715 HZ3 TRP 715 25.554 17.604 -1.020 260 HH2 TRP 715 HH2 TRP 715 24.957 18.891 1.014 261 H ALA 716 HN ALA 716 32.793 14.668 0.720 262 HA ALA 716 HA ALA 716 33.273 16.912 2.335 263 HB1 ALA 716 HB1 ALA 716 34.323 14.702 2.707 264 HB2 ALA 716 HB2 ALA 716 35.524 15.992 2.635 265 HB3 ALA 716 HB3 ALA 716 35.288 14.928 1.249 266 H LEU 717 HN LEU 717 34.385 16.078 -0.916 267 HA LEU 717 HA LEU 717 36.174 18.202 -1.255 268 HB2 LEU 717 HB2 LEU 717 36.099 16.193 -2.702 269 HB3 LEU 717 HB1 LEU 717 34.533 16.711 -3.319 270 HG LEU 717 HG LEU 717 35.571 18.791 -4.169 271 HD11 LEU 717 HD11 LEU 717 38.214 18.529 -4.284 272 HD12 LEU 717 HD12 LEU 717 37.958 17.602 -2.808 273 HD13 LEU 717 HD13 LEU 717 37.444 19.285 -2.891 274 HD21 LEU 717 HD21 LEU 717 35.412 17.029 -5.764 275 HD22 LEU 717 HD22 LEU 717 36.740 16.138 -5.019 276 HD23 LEU 717 HD23 LEU 717 37.064 17.630 -5.902 277 H LEU 718 HN LEU 718 32.709 17.825 -2.070 278 HA LEU 718 HA LEU 718 32.417 20.415 -3.194 279 HB2 LEU 718 HB2 LEU 718 30.427 18.523 -1.930 280 HB3 LEU 718 HB1 LEU 718 29.959 20.045 -2.683 281 HG LEU 718 HG LEU 718 31.560 17.889 -4.093 282 HD11 LEU 718 HD11 LEU 718 29.309 17.068 -3.499 283 HD12 LEU 718 HD12 LEU 718 29.458 17.314 -5.239 284 HD13 LEU 718 HD13 LEU 718 28.593 18.492 -4.252 285 HD21 LEU 718 HD21 LEU 718 30.191 19.421 -5.962 286 HD22 LEU 718 HD22 LEU 718 31.897 19.590 -5.552 287 HD23 LEU 718 HD23 LEU 718 30.698 20.616 -4.769 288 H ILE 719 HN ILE 719 31.912 19.135 0.070 289 HA ILE 719 HA ILE 719 31.052 21.576 1.223 290 HB ILE 719 HB ILE 719 32.287 19.101 2.439 291 HG12 ILE 719 HG12 ILE 719 30.035 18.807 1.460 292 HG13 ILE 719 HG11 ILE 719 29.993 18.657 3.211 293 HG21 ILE 719 HG21 ILE 719 32.810 20.638 4.080 294 HG22 ILE 719 HG22 ILE 719 31.168 20.214 4.562 295 HG23 ILE 719 HG23 ILE 719 31.467 21.702 3.663 296 HD11 ILE 719 HD11 ILE 719 28.230 20.097 3.007 297 HD12 ILE 719 HD12 ILE 719 28.781 20.712 1.451 298 HD13 ILE 719 HD13 ILE 719 29.488 21.327 2.939 299 H THR 720 HN THR 720 34.172 19.933 0.914 300 HA THR 720 HA THR 720 35.674 21.876 2.344 301 HB THR 720 HB THR 720 36.533 20.049 0.087 302 HG1 THR 720 HG1 THR 720 35.766 19.526 2.526 303 HG21 THR 720 HG21 THR 720 38.794 20.395 1.298 304 HG22 THR 720 HG22 THR 720 38.034 21.822 2.003 305 HG23 THR 720 HG23 THR 720 38.214 21.692 0.253 306 H ILE 721 HN ILE 721 34.846 21.479 -1.110 307 HA ILE 721 HA ILE 721 36.275 23.823 -1.939 308 HB ILE 721 HB ILE 721 33.991 22.367 -3.259 309 HG12 ILE 721 HG12 ILE 721 36.896 22.647 -4.071 310 HG13 ILE 721 HG11 ILE 721 36.314 21.313 -3.085 311 HG21 ILE 721 HG21 ILE 721 34.805 23.792 -5.272 312 HG22 ILE 721 HG22 ILE 721 35.492 24.860 -4.049 313 HG23 ILE 721 HG23 ILE 721 33.755 24.563 -4.086 314 HD11 ILE 721 HD11 ILE 721 35.402 22.037 -5.881 315 HD12 ILE 721 HD12 ILE 721 34.642 20.793 -4.892 316 HD13 ILE 721 HD13 ILE 721 36.319 20.607 -5.411 317 H HIS 722 HN HIS 722 32.906 23.333 -0.991 318 HA HIS 722 HA HIS 722 31.958 25.913 -1.562 319 HB2 HIS 722 HB2 HIS 722 31.095 23.658 0.166 320 HB3 HIS 722 HB1 HIS 722 30.419 25.245 0.536 321 HD1 HIS 722 HD1 HIS 722 30.620 22.693 -2.243 322 HD2 HIS 722 HD2 HIS 722 28.581 26.221 -1.363 323 HE1 HIS 722 HE1 HIS 722 28.823 22.943 -4.011 324 H ASP 723 HN ASP 723 33.563 24.580 1.266 325 HA ASP 723 HA ASP 723 35.121 25.978 2.513 326 HB2 ASP 723 HB2 ASP 723 34.306 28.128 1.564 327 HB3 ASP 723 HB1 ASP 723 32.869 28.001 2.586 328 H ARG 724 HN ARG 724 35.251 24.974 4.389 329 HA ARG 724 HA ARG 724 32.986 23.868 5.714 330 HB2 ARG 724 HB2 ARG 724 35.257 22.882 5.836 331 HB3 ARG 724 HB1 ARG 724 35.798 24.279 6.764 332 HG2 ARG 724 HG2 ARG 724 34.127 23.758 8.516 333 HG3 ARG 724 HG1 ARG 724 33.604 22.351 7.589 334 HD2 ARG 724 HD2 ARG 724 35.956 21.482 7.712 335 HD3 ARG 724 HD1 ARG 724 36.347 22.823 8.783 336 HE ARG 724 HE ARG 724 34.080 21.291 9.689 337 HH11 ARG 724 HH21 ARG 724 37.529 21.521 9.567 338 HH12 ARG 724 HH22 ARG 724 37.781 20.591 11.007 339 HH21 ARG 724 HH11 ARG 724 34.399 20.074 11.578 340 HH22 ARG 724 HH12 ARG 724 36.007 19.771 12.146 341 H LYS 725 HN LYS 725 31.752 24.645 7.333 342 HA LYS 725 HA LYS 725 32.379 27.348 8.355 343 HB2 LYS 725 HB2 LYS 725 29.723 25.889 8.269 344 HB3 LYS 725 HB1 LYS 725 29.974 27.539 8.822 345 HG2 LYS 725 HG2 LYS 725 30.553 26.577 6.003 346 HG3 LYS 725 HG1 LYS 725 29.070 27.390 6.485 347 HD2 LYS 725 HD2 LYS 725 30.400 29.376 7.169 348 HD3 LYS 725 HD1 LYS 725 31.867 28.567 6.624 349 HE2 LYS 725 HE2 LYS 725 30.973 28.407 4.349 350 HE3 LYS 725 HE1 LYS 725 29.485 29.195 4.871 351 HZ1 LYS 725 HZ1 LYS 725 30.523 31.072 4.316 352 HZ2 LYS 725 HZ2 LYS 725 32.054 30.338 4.275 353 HZ3 LYS 725 HZ3 LYS 725 31.407 30.879 5.749 354 H GLU 726 HN GLU 726 32.294 27.772 10.540 355 HA GLU 726 HA GLU 726 33.034 25.659 12.279 356 HB2 GLU 726 HB2 GLU 726 32.111 28.485 12.858 357 HB3 GLU 726 HB1 GLU 726 32.771 27.392 14.072 358 HG2 GLU 726 HG2 GLU 726 34.225 28.237 11.549 359 HG3 GLU 726 HG1 GLU 726 34.490 28.944 13.139 360 H PHE 727 HN PHE 727 31.886 24.458 13.713 361 HA PHE 727 HA PHE 727 29.056 24.231 13.328 362 HB2 PHE 727 HB2 PHE 727 29.180 22.476 15.026 363 HB3 PHE 727 HB1 PHE 727 30.491 22.287 13.860 364 HD1 PHE 727 HD1 PHE 727 29.619 23.253 17.304 365 HD2 PHE 727 HD2 PHE 727 32.808 22.780 14.465 366 HE1 PHE 727 HE1 PHE 727 31.277 23.411 19.141 367 HE2 PHE 727 HE2 PHE 727 34.467 22.937 16.303 368 HZ PHE 727 HZ PHE 727 33.700 23.253 18.640 Start of MODEL 20 1 H2 PRO 685 HT1 PRO 685 42.730 -23.464 -15.217 2 H3 PRO 685 HT2 PRO 685 43.664 -23.488 -16.638 3 HA PRO 685 HA PRO 685 45.375 -22.684 -15.520 4 HB2 PRO 685 HB2 PRO 685 44.098 -20.301 -14.395 5 HB3 PRO 685 HB1 PRO 685 45.367 -20.416 -15.632 6 HG2 PRO 685 HG2 PRO 685 42.811 -19.669 -16.166 7 HG3 PRO 685 HG1 PRO 685 43.881 -20.445 -17.343 8 HD2 PRO 685 HD2 PRO 685 41.598 -21.625 -15.811 9 HD3 PRO 685 HD1 PRO 685 42.187 -22.020 -17.439 10 H GLU 686 HN GLU 686 46.297 -23.035 -13.554 11 HA GLU 686 HA GLU 686 44.565 -23.030 -11.165 12 HB2 GLU 686 HB2 GLU 686 44.766 -25.355 -12.007 13 HB3 GLU 686 HB1 GLU 686 46.521 -25.228 -11.883 14 HG2 GLU 686 HG2 GLU 686 46.341 -24.825 -9.466 15 HG3 GLU 686 HG1 GLU 686 44.584 -24.895 -9.574 16 H SER 687 HN SER 687 45.617 -22.565 -9.225 17 HA SER 687 HA SER 687 48.431 -21.673 -9.461 18 HB2 SER 687 HB2 SER 687 46.338 -20.330 -7.757 19 HB3 SER 687 HB1 SER 687 47.956 -19.750 -8.144 20 HG SER 687 HG SER 687 47.172 -18.944 -9.910 21 HA PRO 688 HA PRO 688 48.040 -24.830 -6.073 22 HB2 PRO 688 HB2 PRO 688 50.871 -25.284 -6.806 23 HB3 PRO 688 HB1 PRO 688 49.546 -26.451 -6.649 24 HG2 PRO 688 HG2 PRO 688 50.559 -25.741 -9.028 25 HG3 PRO 688 HG1 PRO 688 48.850 -26.154 -8.805 26 HD2 PRO 688 HD2 PRO 688 50.109 -23.457 -9.135 27 HD3 PRO 688 HD1 PRO 688 48.534 -24.046 -9.711 28 H LYS 689 HN LYS 689 48.753 -24.640 -3.972 29 HA LYS 689 HA LYS 689 49.513 -23.498 -2.125 30 HB2 LYS 689 HB2 LYS 689 51.642 -24.574 -3.475 31 HB3 LYS 689 HB1 LYS 689 52.122 -22.884 -3.350 32 HG2 LYS 689 HG2 LYS 689 51.850 -22.930 -0.934 33 HG3 LYS 689 HG1 LYS 689 51.193 -24.566 -1.000 34 HD2 LYS 689 HD2 LYS 689 53.334 -25.378 -1.946 35 HD3 LYS 689 HD1 LYS 689 53.995 -23.747 -1.814 36 HE2 LYS 689 HE2 LYS 689 52.898 -25.316 0.535 37 HE3 LYS 689 HE1 LYS 689 54.609 -25.245 0.113 38 HZ1 LYS 689 HZ1 LYS 689 54.676 -22.950 0.514 39 HZ2 LYS 689 HZ2 LYS 689 53.802 -23.596 1.820 40 HZ3 LYS 689 HZ3 LYS 689 52.986 -22.810 0.554 41 H GLY 690 HN GLY 690 48.275 -21.883 -4.312 42 HA2 GLY 690 HA2 GLY 690 48.834 -19.303 -3.216 43 HA3 GLY 690 HA1 GLY 690 49.534 -19.475 -4.822 44 HA PRO 691 HA PRO 691 44.718 -20.085 -5.326 45 HB2 PRO 691 HB2 PRO 691 43.737 -18.809 -2.843 46 HB3 PRO 691 HB1 PRO 691 43.215 -20.316 -3.617 47 HG2 PRO 691 HG2 PRO 691 44.636 -20.288 -1.344 48 HG3 PRO 691 HG1 PRO 691 44.804 -21.569 -2.557 49 HD2 PRO 691 HD2 PRO 691 46.636 -19.271 -1.976 50 HD3 PRO 691 HD1 PRO 691 47.027 -20.928 -2.491 51 H ASP 692 HN ASP 692 43.529 -18.546 -6.427 52 HA ASP 692 HA ASP 692 44.498 -15.776 -6.210 53 HB2 ASP 692 HB2 ASP 692 42.917 -17.212 -8.352 54 HB3 ASP 692 HB1 ASP 692 43.275 -15.487 -8.393 55 H ILE 693 HN ILE 693 42.013 -17.674 -5.099 56 HA ILE 693 HA ILE 693 39.732 -16.018 -5.354 57 HB ILE 693 HB ILE 693 40.471 -18.159 -3.349 58 HG12 ILE 693 HG12 ILE 693 38.471 -18.195 -5.628 59 HG13 ILE 693 HG11 ILE 693 40.136 -18.752 -5.801 60 HG21 ILE 693 HG21 ILE 693 37.946 -16.537 -3.704 61 HG22 ILE 693 HG22 ILE 693 38.859 -16.822 -2.223 62 HG23 ILE 693 HG23 ILE 693 37.927 -18.131 -2.950 63 HD11 ILE 693 HD11 ILE 693 38.134 -19.836 -3.794 64 HD12 ILE 693 HD12 ILE 693 39.786 -20.409 -4.020 65 HD13 ILE 693 HD13 ILE 693 38.594 -20.629 -5.300 66 H LEU 694 HN LEU 694 42.212 -16.372 -2.879 67 HA LEU 694 HA LEU 694 41.138 -14.529 -1.020 68 HB2 LEU 694 HB2 LEU 694 43.970 -15.460 -1.542 69 HB3 LEU 694 HB1 LEU 694 43.523 -14.425 -0.188 70 HG LEU 694 HG LEU 694 42.269 -17.130 -0.743 71 HD11 LEU 694 HD11 LEU 694 44.805 -16.399 0.502 72 HD12 LEU 694 HD12 LEU 694 44.201 -17.990 0.039 73 HD13 LEU 694 HD13 LEU 694 43.760 -17.300 1.600 74 HD21 LEU 694 HD21 LEU 694 40.734 -16.119 0.651 75 HD22 LEU 694 HD22 LEU 694 41.919 -15.011 1.338 76 HD23 LEU 694 HD23 LEU 694 41.865 -16.686 1.877 77 H VAL 695 HN VAL 695 43.308 -14.217 -3.801 78 HA VAL 695 HA VAL 695 44.005 -11.487 -3.386 79 HB VAL 695 HB VAL 695 43.911 -13.185 -5.893 80 HG11 VAL 695 HG11 VAL 695 45.551 -11.277 -6.641 81 HG12 VAL 695 HG12 VAL 695 44.709 -10.324 -5.420 82 HG13 VAL 695 HG13 VAL 695 43.811 -11.018 -6.770 83 HG21 VAL 695 HG21 VAL 695 45.552 -13.523 -3.827 84 HG22 VAL 695 HG22 VAL 695 46.392 -12.159 -4.564 85 HG23 VAL 695 HG23 VAL 695 46.148 -13.646 -5.482 86 H VAL 696 HN VAL 696 41.502 -13.096 -5.268 87 HA VAL 696 HA VAL 696 40.336 -10.760 -6.359 88 HB VAL 696 HB VAL 696 39.193 -13.514 -5.825 89 HG11 VAL 696 HG11 VAL 696 37.257 -12.223 -5.993 90 HG12 VAL 696 HG12 VAL 696 37.557 -12.616 -7.685 91 HG13 VAL 696 HG13 VAL 696 38.019 -11.036 -7.052 92 HG21 VAL 696 HG21 VAL 696 39.847 -14.043 -7.987 93 HG22 VAL 696 HG22 VAL 696 41.133 -12.916 -7.554 94 HG23 VAL 696 HG23 VAL 696 39.771 -12.367 -8.530 95 H LEU 697 HN LEU 697 39.703 -12.677 -3.438 96 HA LEU 697 HA LEU 697 37.413 -11.272 -2.581 97 HB2 LEU 697 HB2 LEU 697 38.075 -13.446 -1.657 98 HB3 LEU 697 HB1 LEU 697 39.518 -12.722 -0.954 99 HG LEU 697 HG LEU 697 38.127 -11.285 0.476 100 HD11 LEU 697 HD11 LEU 697 35.595 -12.052 0.481 101 HD12 LEU 697 HD12 LEU 697 35.945 -12.490 -1.191 102 HD13 LEU 697 HD13 LEU 697 36.149 -10.822 -0.655 103 HD21 LEU 697 HD21 LEU 697 37.318 -14.209 0.539 104 HD22 LEU 697 HD22 LEU 697 37.111 -13.073 1.872 105 HD23 LEU 697 HD23 LEU 697 38.731 -13.505 1.326 106 H LEU 698 HN LEU 698 40.857 -10.709 -1.873 107 HA LEU 698 HA LEU 698 40.440 -8.627 0.005 108 HB2 LEU 698 HB2 LEU 698 42.789 -9.328 -1.769 109 HB3 LEU 698 HB1 LEU 698 42.840 -8.002 -0.611 110 HG LEU 698 HG LEU 698 42.135 -10.862 0.123 111 HD11 LEU 698 HD11 LEU 698 44.455 -10.751 -0.668 112 HD12 LEU 698 HD12 LEU 698 44.421 -10.965 1.082 113 HD13 LEU 698 HD13 LEU 698 44.766 -9.379 0.395 114 HD21 LEU 698 HD21 LEU 698 42.167 -8.293 1.544 115 HD22 LEU 698 HD22 LEU 698 43.132 -9.530 2.344 116 HD23 LEU 698 HD23 LEU 698 41.427 -9.825 2.005 117 H SER 699 HN SER 699 40.969 -8.689 -3.482 118 HA SER 699 HA SER 699 40.993 -5.895 -3.890 119 HB2 SER 699 HB2 SER 699 40.505 -6.493 -6.248 120 HB3 SER 699 HB1 SER 699 41.814 -7.458 -5.573 121 HG SER 699 HG SER 699 40.101 -9.025 -5.054 122 H VAL 700 HN VAL 700 38.437 -8.283 -3.615 123 HA VAL 700 HA VAL 700 36.301 -6.651 -4.572 124 HB VAL 700 HB VAL 700 36.322 -9.032 -2.696 125 HG11 VAL 700 HG11 VAL 700 34.277 -8.129 -2.133 126 HG12 VAL 700 HG12 VAL 700 33.805 -8.967 -3.612 127 HG13 VAL 700 HG13 VAL 700 34.140 -7.236 -3.649 128 HG21 VAL 700 HG21 VAL 700 35.034 -9.262 -5.312 129 HG22 VAL 700 HG22 VAL 700 36.257 -10.298 -4.574 130 HG23 VAL 700 HG23 VAL 700 36.743 -8.844 -5.446 131 H MET 701 HN MET 701 37.627 -7.335 -1.369 132 HA MET 701 HA MET 701 35.803 -5.743 0.077 133 HB2 MET 701 HB2 MET 701 38.612 -6.707 0.660 134 HB3 MET 701 HB1 MET 701 37.720 -5.702 1.805 135 HG2 MET 701 HG2 MET 701 35.900 -7.347 1.836 136 HG3 MET 701 HG1 MET 701 36.772 -8.338 0.667 137 HE1 MET 701 HE1 MET 701 36.592 -10.293 1.950 138 HE2 MET 701 HE2 MET 701 35.895 -9.731 3.466 139 HE3 MET 701 HE3 MET 701 37.371 -10.694 3.487 140 H GLY 702 HN GLY 702 38.893 -5.061 -1.528 141 HA2 GLY 702 HA2 GLY 702 39.247 -2.437 -0.513 142 HA3 GLY 702 HA1 GLY 702 39.946 -3.056 -2.009 143 H ALA 703 HN ALA 703 37.576 -3.686 -3.395 144 HA ALA 703 HA ALA 703 36.900 -1.207 -4.555 145 HB1 ALA 703 HB1 ALA 703 35.069 -2.552 -5.670 146 HB2 ALA 703 HB2 ALA 703 35.611 -3.936 -4.717 147 HB3 ALA 703 HB3 ALA 703 36.707 -3.171 -5.870 148 H ILE 704 HN ILE 704 35.247 -3.221 -2.168 149 HA ILE 704 HA ILE 704 32.832 -1.757 -2.075 150 HB ILE 704 HB ILE 704 34.229 -3.381 0.054 151 HG12 ILE 704 HG12 ILE 704 31.800 -4.034 -1.656 152 HG13 ILE 704 HG11 ILE 704 33.447 -4.489 -2.106 153 HG21 ILE 704 HG21 ILE 704 31.779 -3.448 0.969 154 HG22 ILE 704 HG22 ILE 704 31.534 -2.000 -0.009 155 HG23 ILE 704 HG23 ILE 704 32.733 -1.995 1.284 156 HD11 ILE 704 HD11 ILE 704 31.769 -6.029 -0.493 157 HD12 ILE 704 HD12 ILE 704 32.787 -5.193 0.681 158 HD13 ILE 704 HD13 ILE 704 33.526 -6.182 -0.573 159 H LEU 705 HN LEU 705 35.843 -1.438 -0.228 160 HA LEU 705 HA LEU 705 34.979 0.632 1.497 161 HB2 LEU 705 HB2 LEU 705 37.016 -0.719 1.878 162 HB3 LEU 705 HB1 LEU 705 37.789 0.068 0.508 163 HG LEU 705 HG LEU 705 37.555 2.263 1.647 164 HD11 LEU 705 HD11 LEU 705 37.032 1.934 4.221 165 HD12 LEU 705 HD12 LEU 705 36.109 0.553 3.625 166 HD13 LEU 705 HD13 LEU 705 35.730 2.177 3.057 167 HD21 LEU 705 HD21 LEU 705 39.177 0.035 2.507 168 HD22 LEU 705 HD22 LEU 705 38.867 1.123 3.861 169 HD23 LEU 705 HD23 LEU 705 39.608 1.739 2.384 170 H LEU 706 HN LEU 706 36.616 0.795 -1.679 171 HA LEU 706 HA LEU 706 37.027 3.565 -1.696 172 HB2 LEU 706 HB2 LEU 706 38.144 2.048 -3.252 173 HB3 LEU 706 HB1 LEU 706 36.604 1.670 -4.017 174 HG LEU 706 HG LEU 706 36.360 3.997 -4.746 175 HD11 LEU 706 HD11 LEU 706 37.373 5.372 -3.170 176 HD12 LEU 706 HD12 LEU 706 38.583 5.386 -4.454 177 HD13 LEU 706 HD13 LEU 706 38.805 4.351 -3.043 178 HD21 LEU 706 HD21 LEU 706 39.164 3.074 -5.405 179 HD22 LEU 706 HD22 LEU 706 38.051 3.985 -6.428 180 HD23 LEU 706 HD23 LEU 706 37.723 2.293 -6.058 181 H ILE 707 HN ILE 707 34.261 1.676 -2.909 182 HA ILE 707 HA ILE 707 32.937 3.901 -4.046 183 HB ILE 707 HB ILE 707 32.304 1.660 -4.714 184 HG12 ILE 707 HG12 ILE 707 29.987 2.889 -3.213 185 HG13 ILE 707 HG11 ILE 707 30.632 3.565 -4.710 186 HG21 ILE 707 HG21 ILE 707 31.510 1.384 -1.818 187 HG22 ILE 707 HG22 ILE 707 32.656 0.416 -2.741 188 HG23 ILE 707 HG23 ILE 707 30.930 0.294 -3.077 189 HD11 ILE 707 HD11 ILE 707 30.161 0.679 -4.877 190 HD12 ILE 707 HD12 ILE 707 29.663 1.962 -5.979 191 HD13 ILE 707 HD13 ILE 707 28.688 1.593 -4.554 192 H GLY 708 HN GLY 708 32.990 2.648 -0.761 193 HA2 GLY 708 HA2 GLY 708 30.729 4.096 0.190 194 HA3 GLY 708 HA1 GLY 708 32.022 3.427 1.185 195 H LEU 709 HN LEU 709 34.217 4.757 0.193 196 HA LEU 709 HA LEU 709 34.061 7.278 1.480 197 HB2 LEU 709 HB2 LEU 709 36.170 5.759 0.020 198 HB3 LEU 709 HB1 LEU 709 36.397 7.492 0.245 199 HG LEU 709 HG LEU 709 36.054 7.219 2.681 200 HD11 LEU 709 HD11 LEU 709 35.993 4.953 3.650 201 HD12 LEU 709 HD12 LEU 709 35.960 4.261 2.031 202 HD13 LEU 709 HD13 LEU 709 34.597 5.222 2.605 203 HD21 LEU 709 HD21 LEU 709 38.327 7.037 1.620 204 HD22 LEU 709 HD22 LEU 709 38.131 5.284 1.617 205 HD23 LEU 709 HD23 LEU 709 38.186 6.162 3.145 206 H ALA 710 HN ALA 710 34.002 6.218 -1.873 207 HA ALA 710 HA ALA 710 34.549 8.408 -3.334 208 HB1 ALA 710 HB1 ALA 710 32.209 7.643 -4.559 209 HB2 ALA 710 HB2 ALA 710 32.668 6.200 -3.655 210 HB3 ALA 710 HB3 ALA 710 33.790 6.909 -4.812 211 HA PRO 711 HA PRO 711 30.284 10.564 -2.837 212 HB2 PRO 711 HB2 PRO 711 28.715 9.714 -0.729 213 HB3 PRO 711 HB1 PRO 711 28.526 9.171 -2.407 214 HG2 PRO 711 HG2 PRO 711 29.883 7.829 -0.126 215 HG3 PRO 711 HG1 PRO 711 28.880 7.137 -1.412 216 HD2 PRO 711 HD2 PRO 711 31.580 6.961 -1.456 217 HD3 PRO 711 HD1 PRO 711 30.626 7.099 -2.946 218 H LEU 712 HN LEU 712 31.918 9.389 0.065 219 HA LEU 712 HA LEU 712 31.391 11.695 1.657 220 HB2 LEU 712 HB2 LEU 712 33.482 9.520 1.841 221 HB3 LEU 712 HB1 LEU 712 33.316 10.805 3.035 222 HG LEU 712 HG LEU 712 31.065 8.936 2.232 223 HD11 LEU 712 HD11 LEU 712 33.295 8.628 4.140 224 HD12 LEU 712 HD12 LEU 712 32.266 7.402 3.400 225 HD13 LEU 712 HD13 LEU 712 31.699 8.294 4.812 226 HD21 LEU 712 HD21 LEU 712 31.285 11.307 3.963 227 HD22 LEU 712 HD22 LEU 712 30.585 9.911 4.779 228 HD23 LEU 712 HD23 LEU 712 29.850 10.527 3.300 229 H LEU 713 HN LEU 713 34.097 10.628 -0.411 230 HA LEU 713 HA LEU 713 35.782 12.827 0.135 231 HB2 LEU 713 HB2 LEU 713 35.617 10.928 -2.204 232 HB3 LEU 713 HB1 LEU 713 36.883 12.142 -2.039 233 HG LEU 713 HG LEU 713 36.255 10.051 0.068 234 HD11 LEU 713 HD11 LEU 713 38.164 10.048 -2.259 235 HD12 LEU 713 HD12 LEU 713 37.074 8.771 -1.720 236 HD13 LEU 713 HD13 LEU 713 38.532 9.135 -0.796 237 HD21 LEU 713 HD21 LEU 713 38.811 10.773 0.509 238 HD22 LEU 713 HD22 LEU 713 37.457 11.625 1.247 239 HD23 LEU 713 HD23 LEU 713 38.229 12.280 -0.195 240 H ILE 714 HN ILE 714 33.425 12.272 -2.509 241 HA ILE 714 HA ILE 714 34.016 14.776 -3.752 242 HB ILE 714 HB ILE 714 32.938 12.819 -4.928 243 HG12 ILE 714 HG12 ILE 714 31.301 15.366 -5.074 244 HG13 ILE 714 HG11 ILE 714 32.924 15.230 -5.752 245 HG21 ILE 714 HG21 ILE 714 30.734 12.226 -4.529 246 HG22 ILE 714 HG22 ILE 714 30.324 13.803 -3.852 247 HG23 ILE 714 HG23 ILE 714 31.262 12.655 -2.908 248 HD11 ILE 714 HD11 ILE 714 30.556 14.543 -7.045 249 HD12 ILE 714 HD12 ILE 714 31.220 12.992 -6.531 250 HD13 ILE 714 HD13 ILE 714 32.182 14.071 -7.541 251 H TRP 715 HN TRP 715 31.530 13.674 -1.446 252 HA TRP 715 HA TRP 715 30.101 16.108 -1.347 253 HB2 TRP 715 HB2 TRP 715 29.221 13.974 -0.476 254 HB3 TRP 715 HB1 TRP 715 30.469 13.964 0.767 255 HD1 TRP 715 HD1 TRP 715 27.434 16.045 -0.370 256 HE1 TRP 715 HE1 TRP 715 26.471 17.264 1.688 257 HE3 TRP 715 HE3 TRP 715 30.911 14.739 3.135 258 HZ2 TRP 715 HZ2 TRP 715 27.090 17.631 4.457 259 HZ3 TRP 715 HZ3 TRP 715 30.698 15.533 5.473 260 HH2 TRP 715 HH2 TRP 715 28.795 16.976 6.139 261 H ALA 716 HN ALA 716 32.745 14.770 0.620 262 HA ALA 716 HA ALA 716 33.023 16.948 2.372 263 HB1 ALA 716 HB1 ALA 716 35.064 14.948 1.372 264 HB2 ALA 716 HB2 ALA 716 34.125 14.855 2.863 265 HB3 ALA 716 HB3 ALA 716 35.366 16.095 2.676 266 H LEU 717 HN LEU 717 34.373 16.293 -0.816 267 HA LEU 717 HA LEU 717 36.152 18.454 -0.959 268 HB2 LEU 717 HB2 LEU 717 36.175 16.499 -2.488 269 HB3 LEU 717 HB1 LEU 717 34.643 17.033 -3.171 270 HG LEU 717 HG LEU 717 35.712 19.146 -3.882 271 HD11 LEU 717 HD11 LEU 717 37.509 19.593 -2.477 272 HD12 LEU 717 HD12 LEU 717 38.355 18.910 -3.862 273 HD13 LEU 717 HD13 LEU 717 38.034 17.910 -2.446 274 HD21 LEU 717 HD21 LEU 717 36.775 16.483 -4.769 275 HD22 LEU 717 HD22 LEU 717 37.421 17.957 -5.491 276 HD23 LEU 717 HD23 LEU 717 35.701 17.593 -5.623 277 H LEU 718 HN LEU 718 32.744 18.066 -1.955 278 HA LEU 718 HA LEU 718 32.443 20.702 -2.982 279 HB2 LEU 718 HB2 LEU 718 30.444 18.698 -1.919 280 HB3 LEU 718 HB1 LEU 718 29.975 20.240 -2.630 281 HG LEU 718 HG LEU 718 31.708 18.187 -4.039 282 HD11 LEU 718 HD11 LEU 718 29.615 17.767 -5.388 283 HD12 LEU 718 HD12 LEU 718 28.726 18.690 -4.177 284 HD13 LEU 718 HD13 LEU 718 29.538 17.193 -3.722 285 HD21 LEU 718 HD21 LEU 718 32.092 19.966 -5.392 286 HD22 LEU 718 HD22 LEU 718 30.812 20.922 -4.647 287 HD23 LEU 718 HD23 LEU 718 30.423 19.768 -5.919 288 H ILE 719 HN ILE 719 31.800 19.238 0.183 289 HA ILE 719 HA ILE 719 30.787 21.575 1.413 290 HB ILE 719 HB ILE 719 32.086 19.082 2.531 291 HG12 ILE 719 HG12 ILE 719 29.901 18.767 1.422 292 HG13 ILE 719 HG11 ILE 719 29.793 18.475 3.148 293 HG21 ILE 719 HG21 ILE 719 31.162 19.778 4.730 294 HG22 ILE 719 HG22 ILE 719 30.740 21.336 4.031 295 HG23 ILE 719 HG23 ILE 719 32.431 20.858 4.158 296 HD11 ILE 719 HD11 ILE 719 28.533 20.582 1.500 297 HD12 ILE 719 HD12 ILE 719 29.174 21.144 3.039 298 HD13 ILE 719 HD13 ILE 719 27.980 19.851 3.002 299 H THR 720 HN THR 720 33.979 20.068 1.173 300 HA THR 720 HA THR 720 35.332 22.046 2.713 301 HB THR 720 HB THR 720 36.369 20.274 0.484 302 HG1 THR 720 HG1 THR 720 36.352 18.792 1.949 303 HG21 THR 720 HG21 THR 720 38.542 20.681 1.850 304 HG22 THR 720 HG22 THR 720 37.696 22.093 2.482 305 HG23 THR 720 HG23 THR 720 37.997 21.947 0.750 306 H ILE 721 HN ILE 721 34.726 21.655 -0.784 307 HA ILE 721 HA ILE 721 36.139 24.019 -1.538 308 HB ILE 721 HB ILE 721 34.014 22.439 -2.963 309 HG12 ILE 721 HG12 ILE 721 36.505 21.683 -2.497 310 HG13 ILE 721 HG11 ILE 721 35.776 21.422 -4.078 311 HG21 ILE 721 HG21 ILE 721 33.745 24.580 -3.911 312 HG22 ILE 721 HG22 ILE 721 34.909 23.800 -4.981 313 HG23 ILE 721 HG23 ILE 721 35.463 24.957 -3.770 314 HD11 ILE 721 HD11 ILE 721 38.142 22.493 -3.979 315 HD12 ILE 721 HD12 ILE 721 37.295 23.961 -3.501 316 HD13 ILE 721 HD13 ILE 721 36.945 23.210 -5.055 317 H HIS 722 HN HIS 722 32.659 23.549 -0.906 318 HA HIS 722 HA HIS 722 31.931 26.159 -1.718 319 HB2 HIS 722 HB2 HIS 722 29.814 25.622 -1.097 320 HB3 HIS 722 HB1 HIS 722 30.481 23.992 -1.030 321 HD1 HIS 722 HD1 HIS 722 31.413 23.247 1.388 322 HD2 HIS 722 HD2 HIS 722 28.879 26.556 1.339 323 HE1 HIS 722 HE1 HIS 722 30.654 23.618 3.786 324 H ASP 723 HN ASP 723 33.218 24.921 1.299 325 HA ASP 723 HA ASP 723 32.677 27.419 2.699 326 HB2 ASP 723 HB2 ASP 723 32.525 25.273 3.907 327 HB3 ASP 723 HB1 ASP 723 34.231 24.976 3.580 328 H ARG 724 HN ARG 724 33.919 29.109 2.208 329 HA ARG 724 HA ARG 724 36.770 28.672 1.604 330 HB2 ARG 724 HB2 ARG 724 34.928 31.012 1.072 331 HB3 ARG 724 HB1 ARG 724 36.665 31.042 0.765 332 HG2 ARG 724 HG2 ARG 724 36.448 29.132 -0.765 333 HG3 ARG 724 HG1 ARG 724 34.716 29.055 -0.440 334 HD2 ARG 724 HD2 ARG 724 34.433 31.325 -1.348 335 HD3 ARG 724 HD1 ARG 724 36.165 31.425 -1.653 336 HE ARG 724 HE ARG 724 35.894 29.978 -3.481 337 HH11 ARG 724 HH21 ARG 724 32.995 30.285 -1.608 338 HH12 ARG 724 HH22 ARG 724 31.984 29.543 -2.802 339 HH21 ARG 724 HH11 ARG 724 34.571 29.003 -5.045 340 HH22 ARG 724 HH12 ARG 724 32.876 28.817 -4.745 341 H LYS 725 HN LYS 725 38.359 29.525 2.851 342 HA LYS 725 HA LYS 725 37.547 31.162 5.181 343 HB2 LYS 725 HB2 LYS 725 39.551 28.897 5.079 344 HB3 LYS 725 HB1 LYS 725 39.363 29.995 6.446 345 HG2 LYS 725 HG2 LYS 725 37.005 29.316 6.679 346 HG3 LYS 725 HG1 LYS 725 37.182 28.224 5.305 347 HD2 LYS 725 HD2 LYS 725 38.917 26.963 6.524 348 HD3 LYS 725 HD1 LYS 725 38.747 28.055 7.899 349 HE2 LYS 725 HE2 LYS 725 36.387 27.387 8.147 350 HE3 LYS 725 HE1 LYS 725 36.546 26.301 6.766 351 HZ1 LYS 725 HZ1 LYS 725 37.503 25.994 9.485 352 HZ2 LYS 725 HZ2 LYS 725 38.595 25.513 8.275 353 HZ3 LYS 725 HZ3 LYS 725 37.048 24.815 8.354 354 H GLU 726 HN GLU 726 38.912 32.812 5.777 355 HA GLU 726 HA GLU 726 41.152 33.377 3.924 356 HB2 GLU 726 HB2 GLU 726 39.246 34.948 3.712 357 HB3 GLU 726 HB1 GLU 726 39.410 35.351 5.421 358 HG2 GLU 726 HG2 GLU 726 41.693 36.169 5.031 359 HG3 GLU 726 HG1 GLU 726 41.575 35.722 3.330 360 H PHE 727 HN PHE 727 43.117 33.497 4.801 361 HA PHE 727 HA PHE 727 43.543 33.036 7.579 362 HB2 PHE 727 HB2 PHE 727 45.421 33.884 5.362 363 HB3 PHE 727 HB1 PHE 727 45.947 33.486 6.999 364 HD1 PHE 727 HD2 PHE 727 45.655 31.190 7.894 365 HD2 PHE 727 HD1 PHE 727 44.699 32.171 3.823 366 HE1 PHE 727 HE2 PHE 727 45.631 28.778 7.318 367 HE2 PHE 727 HE1 PHE 727 44.675 29.760 3.247 368 HZ PHE 727 HZ PHE 727 45.140 28.063 4.995 Start of MODEL 21 1 H2 PRO 685 HT1 PRO 685 45.423 -31.408 2.834 2 H3 PRO 685 HT2 PRO 685 45.660 -32.796 3.789 3 HA PRO 685 HA PRO 685 46.281 -31.527 5.470 4 HB2 PRO 685 HB2 PRO 685 48.415 -30.028 4.138 5 HB3 PRO 685 HB1 PRO 685 48.532 -31.244 5.426 6 HG2 PRO 685 HG2 PRO 685 49.325 -31.685 2.866 7 HG3 PRO 685 HG1 PRO 685 48.780 -32.960 3.966 8 HD2 PRO 685 HD2 PRO 685 47.322 -31.693 1.681 9 HD3 PRO 685 HD1 PRO 685 47.223 -33.355 2.299 10 H GLU 686 HN GLU 686 46.994 -29.368 2.710 11 HA GLU 686 HA GLU 686 46.035 -27.034 4.000 12 HB2 GLU 686 HB2 GLU 686 46.451 -27.643 1.062 13 HB3 GLU 686 HB1 GLU 686 46.115 -26.038 1.709 14 HG2 GLU 686 HG2 GLU 686 48.475 -27.764 2.517 15 HG3 GLU 686 HG1 GLU 686 48.552 -26.440 1.356 16 H SER 687 HN SER 687 44.070 -26.054 4.009 17 HA SER 687 HA SER 687 41.826 -27.624 2.941 18 HB2 SER 687 HB2 SER 687 40.748 -27.058 4.821 19 HB3 SER 687 HB1 SER 687 42.242 -26.320 5.390 20 HG SER 687 HG SER 687 39.964 -25.171 4.287 21 HA PRO 688 HA PRO 688 41.113 -23.047 1.374 22 HB2 PRO 688 HB2 PRO 688 43.917 -22.154 1.067 23 HB3 PRO 688 HB1 PRO 688 42.523 -21.284 1.734 24 HG2 PRO 688 HG2 PRO 688 44.515 -22.199 3.277 25 HG3 PRO 688 HG1 PRO 688 42.836 -22.119 3.837 26 HD2 PRO 688 HD2 PRO 688 44.417 -24.504 2.956 27 HD3 PRO 688 HD1 PRO 688 43.176 -24.376 4.222 28 H LYS 689 HN LYS 689 40.908 -22.687 -0.826 29 HA LYS 689 HA LYS 689 41.807 -24.682 -2.611 30 HB2 LYS 689 HB2 LYS 689 40.629 -21.940 -3.097 31 HB3 LYS 689 HB1 LYS 689 40.940 -23.111 -4.380 32 HG2 LYS 689 HG2 LYS 689 39.481 -24.747 -3.248 33 HG3 LYS 689 HG1 LYS 689 39.166 -23.577 -1.965 34 HD2 LYS 689 HD2 LYS 689 38.146 -22.040 -3.571 35 HD3 LYS 689 HD1 LYS 689 38.526 -23.140 -4.896 36 HE2 LYS 689 HE2 LYS 689 36.189 -23.433 -4.226 37 HE3 LYS 689 HE1 LYS 689 37.112 -24.882 -3.825 38 HZ1 LYS 689 HZ1 LYS 689 36.561 -24.625 -1.713 39 HZ2 LYS 689 HZ2 LYS 689 35.631 -23.259 -2.108 40 HZ3 LYS 689 HZ3 LYS 689 37.265 -23.082 -1.677 41 H GLY 690 HN GLY 690 42.923 -21.378 -1.985 42 HA2 GLY 690 HA2 GLY 690 45.594 -21.692 -2.377 43 HA3 GLY 690 HA1 GLY 690 44.977 -21.496 -4.014 44 HA PRO 691 HA PRO 691 45.642 -17.308 -1.957 45 HB2 PRO 691 HB2 PRO 691 47.661 -16.439 -3.576 46 HB3 PRO 691 HB1 PRO 691 47.937 -17.346 -2.076 47 HG2 PRO 691 HG2 PRO 691 47.994 -18.284 -4.895 48 HG3 PRO 691 HG1 PRO 691 49.020 -18.746 -3.527 49 HD2 PRO 691 HD2 PRO 691 46.928 -20.281 -4.449 50 HD3 PRO 691 HD1 PRO 691 47.532 -20.339 -2.780 51 H ASP 692 HN ASP 692 44.904 -18.557 -5.030 52 HA ASP 692 HA ASP 692 44.577 -16.160 -6.538 53 HB2 ASP 692 HB2 ASP 692 43.594 -18.977 -6.765 54 HB3 ASP 692 HB1 ASP 692 42.849 -17.739 -7.769 55 H ILE 693 HN ILE 693 42.378 -18.032 -4.510 56 HA ILE 693 HA ILE 693 40.074 -16.443 -5.051 57 HB ILE 693 HB ILE 693 40.031 -18.823 -4.182 58 HG12 ILE 693 HG12 ILE 693 38.515 -16.856 -2.445 59 HG13 ILE 693 HG11 ILE 693 38.081 -17.186 -4.122 60 HG21 ILE 693 HG21 ILE 693 40.297 -17.670 -1.432 61 HG22 ILE 693 HG22 ILE 693 41.761 -18.068 -2.323 62 HG23 ILE 693 HG23 ILE 693 40.573 -19.321 -1.984 63 HD11 ILE 693 HD11 ILE 693 36.761 -18.586 -2.573 64 HD12 ILE 693 HD12 ILE 693 38.252 -19.260 -1.916 65 HD13 ILE 693 HD13 ILE 693 37.805 -19.576 -3.593 66 H LEU 694 HN LEU 694 42.542 -16.466 -2.565 67 HA LEU 694 HA LEU 694 41.382 -14.551 -0.850 68 HB2 LEU 694 HB2 LEU 694 44.264 -15.314 -1.367 69 HB3 LEU 694 HB1 LEU 694 43.774 -14.195 -0.099 70 HG LEU 694 HG LEU 694 42.711 -17.023 -0.371 71 HD11 LEU 694 HD11 LEU 694 44.728 -17.658 0.415 72 HD12 LEU 694 HD12 LEU 694 44.256 -16.889 1.930 73 HD13 LEU 694 HD13 LEU 694 45.208 -15.994 0.746 74 HD21 LEU 694 HD21 LEU 694 42.251 -14.753 1.520 75 HD22 LEU 694 HD22 LEU 694 42.337 -16.371 2.209 76 HD23 LEU 694 HD23 LEU 694 41.138 -16.005 0.971 77 H VAL 695 HN VAL 695 43.455 -14.321 -3.692 78 HA VAL 695 HA VAL 695 43.972 -11.538 -3.543 79 HB VAL 695 HB VAL 695 43.915 -13.449 -5.888 80 HG11 VAL 695 HG11 VAL 695 43.742 -11.479 -7.058 81 HG12 VAL 695 HG12 VAL 695 45.474 -11.417 -6.726 82 HG13 VAL 695 HG13 VAL 695 44.348 -10.509 -5.717 83 HG21 VAL 695 HG21 VAL 695 46.055 -13.934 -5.322 84 HG22 VAL 695 HG22 VAL 695 45.689 -13.191 -3.765 85 HG23 VAL 695 HG23 VAL 695 46.444 -12.237 -5.043 86 H VAL 696 HN VAL 696 41.509 -13.441 -5.206 87 HA VAL 696 HA VAL 696 40.181 -11.275 -6.444 88 HB VAL 696 HB VAL 696 39.216 -14.025 -5.628 89 HG11 VAL 696 HG11 VAL 696 37.179 -12.970 -5.856 90 HG12 VAL 696 HG12 VAL 696 37.503 -13.302 -7.558 91 HG13 VAL 696 HG13 VAL 696 37.833 -11.702 -6.893 92 HG21 VAL 696 HG21 VAL 696 39.430 -13.328 -8.465 93 HG22 VAL 696 HG22 VAL 696 40.077 -14.724 -7.603 94 HG23 VAL 696 HG23 VAL 696 40.973 -13.206 -7.621 95 H LEU 697 HN LEU 697 39.713 -12.963 -3.348 96 HA LEU 697 HA LEU 697 37.382 -11.587 -2.546 97 HB2 LEU 697 HB2 LEU 697 39.477 -13.177 -1.159 98 HB3 LEU 697 HB1 LEU 697 38.407 -12.191 -0.176 99 HG LEU 697 HG LEU 697 37.773 -14.689 -0.719 100 HD11 LEU 697 HD11 LEU 697 35.292 -13.810 -0.907 101 HD12 LEU 697 HD12 LEU 697 36.055 -12.241 -0.643 102 HD13 LEU 697 HD13 LEU 697 36.238 -13.524 0.554 103 HD21 LEU 697 HD21 LEU 697 36.231 -13.517 -2.999 104 HD22 LEU 697 HD22 LEU 697 36.734 -15.179 -2.717 105 HD23 LEU 697 HD23 LEU 697 37.890 -14.008 -3.313 106 H LEU 698 HN LEU 698 40.781 -10.817 -2.016 107 HA LEU 698 HA LEU 698 40.357 -8.643 -0.249 108 HB2 LEU 698 HB2 LEU 698 42.690 -9.400 -2.006 109 HB3 LEU 698 HB1 LEU 698 42.722 -8.005 -0.930 110 HG LEU 698 HG LEU 698 42.069 -10.818 -0.004 111 HD11 LEU 698 HD11 LEU 698 44.695 -9.315 -0.048 112 HD12 LEU 698 HD12 LEU 698 44.339 -10.873 -0.793 113 HD13 LEU 698 HD13 LEU 698 44.409 -10.732 0.963 114 HD21 LEU 698 HD21 LEU 698 41.433 -9.699 1.853 115 HD22 LEU 698 HD22 LEU 698 42.083 -8.175 1.253 116 HD23 LEU 698 HD23 LEU 698 43.135 -9.314 2.089 117 H SER 699 HN SER 699 40.798 -8.883 -3.733 118 HA SER 699 HA SER 699 40.888 -6.151 -4.320 119 HB2 SER 699 HB2 SER 699 40.272 -6.883 -6.603 120 HB3 SER 699 HB1 SER 699 41.550 -7.874 -5.902 121 HG SER 699 HG SER 699 39.881 -9.358 -5.272 122 H VAL 700 HN VAL 700 38.123 -8.359 -3.985 123 HA VAL 700 HA VAL 700 36.234 -6.381 -4.904 124 HB VAL 700 HB VAL 700 34.495 -7.877 -3.846 125 HG11 VAL 700 HG11 VAL 700 34.887 -9.715 -5.486 126 HG12 VAL 700 HG12 VAL 700 36.524 -9.108 -5.738 127 HG13 VAL 700 HG13 VAL 700 35.137 -8.121 -6.198 128 HG21 VAL 700 HG21 VAL 700 36.945 -9.541 -3.318 129 HG22 VAL 700 HG22 VAL 700 35.292 -10.100 -3.111 130 HG23 VAL 700 HG23 VAL 700 35.930 -8.816 -2.080 131 H MET 701 HN MET 701 37.402 -7.438 -1.752 132 HA MET 701 HA MET 701 35.706 -5.854 -0.164 133 HB2 MET 701 HB2 MET 701 37.135 -7.673 0.727 134 HB3 MET 701 HB1 MET 701 38.565 -6.697 0.393 135 HG2 MET 701 HG2 MET 701 37.740 -4.946 1.918 136 HG3 MET 701 HG1 MET 701 36.288 -5.896 2.231 137 HE1 MET 701 HE1 MET 701 40.611 -6.818 3.276 138 HE2 MET 701 HE2 MET 701 39.940 -5.249 3.714 139 HE3 MET 701 HE3 MET 701 39.938 -5.760 2.029 140 H GLY 702 HN GLY 702 38.777 -5.226 -1.772 141 HA2 GLY 702 HA2 GLY 702 39.280 -2.679 -0.642 142 HA3 GLY 702 HA1 GLY 702 39.896 -3.249 -2.191 143 H ALA 703 HN ALA 703 37.432 -3.679 -3.503 144 HA ALA 703 HA ALA 703 36.896 -1.122 -4.545 145 HB1 ALA 703 HB1 ALA 703 35.351 -2.182 -5.951 146 HB2 ALA 703 HB2 ALA 703 34.943 -3.399 -4.740 147 HB3 ALA 703 HB3 ALA 703 36.496 -3.468 -5.572 148 H ILE 704 HN ILE 704 35.249 -3.030 -2.061 149 HA ILE 704 HA ILE 704 32.872 -1.528 -1.816 150 HB ILE 704 HB ILE 704 34.491 -3.038 0.280 151 HG12 ILE 704 HG12 ILE 704 33.729 -4.450 -1.593 152 HG13 ILE 704 HG11 ILE 704 32.857 -4.858 -0.125 153 HG21 ILE 704 HG21 ILE 704 31.991 -3.143 1.243 154 HG22 ILE 704 HG22 ILE 704 31.875 -1.605 0.388 155 HG23 ILE 704 HG23 ILE 704 33.091 -1.823 1.645 156 HD11 ILE 704 HD11 ILE 704 31.148 -3.030 -1.131 157 HD12 ILE 704 HD12 ILE 704 31.074 -4.731 -1.573 158 HD13 ILE 704 HD13 ILE 704 31.881 -3.580 -2.634 159 H LEU 705 HN LEU 705 36.063 -1.199 -0.201 160 HA LEU 705 HA LEU 705 35.250 0.940 1.479 161 HB2 LEU 705 HB2 LEU 705 37.310 -0.341 1.951 162 HB3 LEU 705 HB1 LEU 705 38.079 0.418 0.562 163 HG LEU 705 HG LEU 705 37.727 2.654 1.615 164 HD11 LEU 705 HD11 LEU 705 35.920 2.553 3.060 165 HD12 LEU 705 HD12 LEU 705 37.237 2.373 4.217 166 HD13 LEU 705 HD13 LEU 705 36.353 0.953 3.660 167 HD21 LEU 705 HD21 LEU 705 39.142 0.665 3.423 168 HD22 LEU 705 HD22 LEU 705 39.428 2.404 3.369 169 HD23 LEU 705 HD23 LEU 705 39.840 1.400 1.979 170 H LEU 706 HN LEU 706 36.827 1.065 -1.736 171 HA LEU 706 HA LEU 706 37.128 3.870 -1.811 172 HB2 LEU 706 HB2 LEU 706 37.087 1.716 -3.870 173 HB3 LEU 706 HB1 LEU 706 36.987 3.395 -4.402 174 HG LEU 706 HG LEU 706 39.044 3.917 -3.118 175 HD11 LEU 706 HD11 LEU 706 39.092 0.938 -2.566 176 HD12 LEU 706 HD12 LEU 706 38.859 2.206 -1.366 177 HD13 LEU 706 HD13 LEU 706 40.400 2.059 -2.206 178 HD21 LEU 706 HD21 LEU 706 40.107 3.450 -5.035 179 HD22 LEU 706 HD22 LEU 706 38.824 2.322 -5.473 180 HD23 LEU 706 HD23 LEU 706 40.227 1.754 -4.566 181 H ILE 707 HN ILE 707 34.417 1.846 -2.885 182 HA ILE 707 HA ILE 707 33.001 3.968 -4.109 183 HB ILE 707 HB ILE 707 31.032 2.503 -4.035 184 HG12 ILE 707 HG12 ILE 707 32.812 0.612 -2.485 185 HG13 ILE 707 HG11 ILE 707 31.498 1.537 -1.767 186 HG21 ILE 707 HG21 ILE 707 31.970 1.563 -5.844 187 HG22 ILE 707 HG22 ILE 707 32.836 0.428 -4.809 188 HG23 ILE 707 HG23 ILE 707 33.572 1.974 -5.234 189 HD11 ILE 707 HD11 ILE 707 30.661 -0.675 -2.299 190 HD12 ILE 707 HD12 ILE 707 31.258 -0.543 -3.953 191 HD13 ILE 707 HD13 ILE 707 29.929 0.481 -3.410 192 H GLY 708 HN GLY 708 32.972 2.759 -0.791 193 HA2 GLY 708 HA2 GLY 708 30.747 4.293 0.099 194 HA3 GLY 708 HA1 GLY 708 31.986 3.578 1.129 195 H LEU 709 HN LEU 709 34.221 4.834 0.034 196 HA LEU 709 HA LEU 709 34.226 7.302 1.418 197 HB2 LEU 709 HB2 LEU 709 36.232 6.014 -0.436 198 HB3 LEU 709 HB1 LEU 709 36.527 7.529 0.410 199 HG LEU 709 HG LEU 709 35.779 4.927 1.781 200 HD11 LEU 709 HD11 LEU 709 37.989 4.787 0.680 201 HD12 LEU 709 HD12 LEU 709 38.148 4.811 2.437 202 HD13 LEU 709 HD13 LEU 709 38.486 6.267 1.500 203 HD21 LEU 709 HD21 LEU 709 36.981 6.411 3.676 204 HD22 LEU 709 HD22 LEU 709 35.249 6.511 3.372 205 HD23 LEU 709 HD23 LEU 709 36.333 7.721 2.692 206 H ALA 710 HN ALA 710 33.927 6.399 -1.981 207 HA ALA 710 HA ALA 710 34.547 8.801 -3.176 208 HB1 ALA 710 HB1 ALA 710 34.055 7.499 -4.909 209 HB2 ALA 710 HB2 ALA 710 32.375 7.969 -4.682 210 HB3 ALA 710 HB3 ALA 710 32.985 6.479 -3.951 211 HA PRO 711 HA PRO 711 30.019 10.563 -2.744 212 HB2 PRO 711 HB2 PRO 711 29.186 9.124 -0.275 213 HB3 PRO 711 HB1 PRO 711 28.220 9.604 -1.681 214 HG2 PRO 711 HG2 PRO 711 28.953 7.072 -1.248 215 HG3 PRO 711 HG1 PRO 711 28.790 7.751 -2.876 216 HD2 PRO 711 HD2 PRO 711 31.262 7.074 -1.370 217 HD3 PRO 711 HD1 PRO 711 30.959 7.114 -3.112 218 H LEU 712 HN LEU 712 31.707 9.436 0.192 219 HA LEU 712 HA LEU 712 31.227 11.770 1.735 220 HB2 LEU 712 HB2 LEU 712 33.345 9.618 1.906 221 HB3 LEU 712 HB1 LEU 712 33.193 10.917 3.086 222 HG LEU 712 HG LEU 712 30.941 9.021 2.356 223 HD11 LEU 712 HD11 LEU 712 31.730 8.514 4.980 224 HD12 LEU 712 HD12 LEU 712 33.250 8.673 4.100 225 HD13 LEU 712 HD13 LEU 712 32.051 7.489 3.580 226 HD21 LEU 712 HD21 LEU 712 30.514 10.024 4.904 227 HD22 LEU 712 HD22 LEU 712 29.735 10.611 3.435 228 HD23 LEU 712 HD23 LEU 712 31.176 11.416 4.049 229 H LEU 713 HN LEU 713 33.905 10.707 -0.356 230 HA LEU 713 HA LEU 713 35.536 12.975 0.099 231 HB2 LEU 713 HB2 LEU 713 35.382 11.014 -2.192 232 HB3 LEU 713 HB1 LEU 713 36.595 12.290 -2.103 233 HG LEU 713 HG LEU 713 36.145 10.233 0.083 234 HD11 LEU 713 HD11 LEU 713 38.251 10.284 -2.098 235 HD12 LEU 713 HD12 LEU 713 36.903 9.151 -2.005 236 HD13 LEU 713 HD13 LEU 713 38.165 9.121 -0.774 237 HD21 LEU 713 HD21 LEU 713 38.754 11.177 0.195 238 HD22 LEU 713 HD22 LEU 713 37.431 11.697 1.237 239 HD23 LEU 713 HD23 LEU 713 37.829 12.622 -0.208 240 H ILE 714 HN ILE 714 33.100 12.211 -2.373 241 HA ILE 714 HA ILE 714 33.410 14.619 -3.843 242 HB ILE 714 HB ILE 714 31.064 12.731 -3.553 243 HG12 ILE 714 HG12 ILE 714 33.062 11.759 -4.621 244 HG13 ILE 714 HG11 ILE 714 31.760 11.953 -5.787 245 HG21 ILE 714 HG21 ILE 714 29.941 14.586 -4.315 246 HG22 ILE 714 HG22 ILE 714 30.522 13.955 -5.856 247 HG23 ILE 714 HG23 ILE 714 31.377 15.281 -5.068 248 HD11 ILE 714 HD11 ILE 714 33.030 14.330 -6.133 249 HD12 ILE 714 HD12 ILE 714 33.434 12.882 -7.045 250 HD13 ILE 714 HD13 ILE 714 34.390 13.328 -5.634 251 H TRP 715 HN TRP 715 31.225 13.661 -1.197 252 HA TRP 715 HA TRP 715 29.813 16.103 -1.058 253 HB2 TRP 715 HB2 TRP 715 28.990 14.015 -0.065 254 HB3 TRP 715 HB1 TRP 715 30.355 13.989 1.045 255 HD1 TRP 715 HD1 TRP 715 27.155 15.950 0.276 256 HE1 TRP 715 HE1 TRP 715 26.454 17.236 2.398 257 HE3 TRP 715 HE3 TRP 715 31.181 14.980 3.264 258 HZ2 TRP 715 HZ2 TRP 715 27.464 17.775 5.019 259 HZ3 TRP 715 HZ3 TRP 715 31.284 15.888 5.568 260 HH2 TRP 715 HH2 TRP 715 29.433 17.283 6.448 261 H ALA 716 HN ALA 716 32.599 14.813 0.736 262 HA ALA 716 HA ALA 716 33.015 17.058 2.377 263 HB1 ALA 716 HB1 ALA 716 34.084 14.929 2.865 264 HB2 ALA 716 HB2 ALA 716 35.324 16.160 2.635 265 HB3 ALA 716 HB3 ALA 716 34.986 15.000 1.351 266 H LEU 717 HN LEU 717 34.200 16.247 -0.856 267 HA LEU 717 HA LEU 717 36.019 18.349 -1.154 268 HB2 LEU 717 HB2 LEU 717 35.940 16.376 -2.635 269 HB3 LEU 717 HB1 LEU 717 34.372 16.898 -3.244 270 HG LEU 717 HG LEU 717 35.411 18.983 -4.090 271 HD11 LEU 717 HD11 LEU 717 37.273 19.462 -2.778 272 HD12 LEU 717 HD12 LEU 717 38.048 18.749 -4.191 273 HD13 LEU 717 HD13 LEU 717 37.804 17.782 -2.737 274 HD21 LEU 717 HD21 LEU 717 36.924 17.824 -5.810 275 HD22 LEU 717 HD22 LEU 717 35.266 17.231 -5.692 276 HD23 LEU 717 HD23 LEU 717 36.581 16.330 -4.937 277 H LEU 718 HN LEU 718 32.565 18.033 -2.021 278 HA LEU 718 HA LEU 718 32.332 20.648 -3.103 279 HB2 LEU 718 HB2 LEU 718 30.292 18.752 -1.928 280 HB3 LEU 718 HB1 LEU 718 29.862 20.291 -2.670 281 HG LEU 718 HG LEU 718 31.473 18.131 -4.064 282 HD11 LEU 718 HD11 LEU 718 29.532 17.027 -4.326 283 HD12 LEU 718 HD12 LEU 718 28.952 18.394 -5.277 284 HD13 LEU 718 HD13 LEU 718 28.629 18.325 -3.545 285 HD21 LEU 718 HD21 LEU 718 31.927 20.009 -5.320 286 HD22 LEU 718 HD22 LEU 718 30.464 20.845 -4.807 287 HD23 LEU 718 HD23 LEU 718 30.375 19.590 -6.039 288 H ILE 719 HN ILE 719 31.705 19.309 0.127 289 HA ILE 719 HA ILE 719 30.823 21.743 1.277 290 HB ILE 719 HB ILE 719 31.953 19.232 2.510 291 HG12 ILE 719 HG12 ILE 719 29.753 18.993 1.412 292 HG13 ILE 719 HG11 ILE 719 29.617 18.829 3.155 293 HG21 ILE 719 HG21 ILE 719 32.432 20.821 4.153 294 HG22 ILE 719 HG22 ILE 719 30.822 20.269 4.616 295 HG23 ILE 719 HG23 ILE 719 31.018 21.800 3.761 296 HD11 ILE 719 HD11 ILE 719 29.165 21.501 2.907 297 HD12 ILE 719 HD12 ILE 719 27.886 20.295 2.862 298 HD13 ILE 719 HD13 ILE 719 28.546 20.933 1.359 299 H THR 720 HN THR 720 33.976 20.095 1.159 300 HA THR 720 HA THR 720 35.299 22.080 2.735 301 HB THR 720 HB THR 720 37.386 21.162 1.746 302 HG1 THR 720 HG1 THR 720 36.436 19.100 0.456 303 HG21 THR 720 HG21 THR 720 36.512 18.612 2.273 304 HG22 THR 720 HG22 THR 720 35.285 19.590 3.079 305 HG23 THR 720 HG23 THR 720 36.987 19.784 3.502 306 H ILE 721 HN ILE 721 34.683 21.646 -0.729 307 HA ILE 721 HA ILE 721 36.222 23.916 -1.559 308 HB ILE 721 HB ILE 721 33.925 22.466 -2.865 309 HG12 ILE 721 HG12 ILE 721 36.421 21.600 -2.508 310 HG13 ILE 721 HG11 ILE 721 35.560 21.298 -4.016 311 HG21 ILE 721 HG21 ILE 721 35.494 24.882 -3.765 312 HG22 ILE 721 HG22 ILE 721 33.749 24.640 -3.775 313 HG23 ILE 721 HG23 ILE 721 34.763 23.776 -4.930 314 HD11 ILE 721 HD11 ILE 721 37.957 22.242 -4.181 315 HD12 ILE 721 HD12 ILE 721 37.261 23.766 -3.634 316 HD13 ILE 721 HD13 ILE 721 36.712 23.036 -5.143 317 H HIS 722 HN HIS 722 32.817 23.523 -0.707 318 HA HIS 722 HA HIS 722 31.950 26.119 -1.331 319 HB2 HIS 722 HB2 HIS 722 30.984 23.908 0.401 320 HB3 HIS 722 HB1 HIS 722 30.339 25.515 0.732 321 HD1 HIS 722 HD1 HIS 722 30.549 22.922 -2.004 322 HD2 HIS 722 HD2 HIS 722 28.577 26.512 -1.231 323 HE1 HIS 722 HE1 HIS 722 28.809 23.188 -3.825 324 H ASP 723 HN ASP 723 33.406 24.790 1.610 325 HA ASP 723 HA ASP 723 33.167 27.166 3.178 326 HB2 ASP 723 HB2 ASP 723 33.535 24.955 4.196 327 HB3 ASP 723 HB1 ASP 723 35.118 24.863 3.425 328 H ARG 724 HN ARG 724 35.674 25.816 1.085 329 HA ARG 724 HA ARG 724 37.524 26.724 0.093 330 HB2 ARG 724 HB2 ARG 724 35.900 28.413 -0.703 331 HB3 ARG 724 HB1 ARG 724 36.204 29.371 0.744 332 HG2 ARG 724 HG2 ARG 724 38.591 29.560 0.120 333 HG3 ARG 724 HG1 ARG 724 38.279 28.613 -1.334 334 HD2 ARG 724 HD2 ARG 724 36.596 30.346 -2.019 335 HD3 ARG 724 HD1 ARG 724 37.101 31.316 -0.638 336 HE ARG 724 HE ARG 724 39.304 30.541 -2.328 337 HH11 ARG 724 HH21 ARG 724 36.705 32.773 -1.837 338 HH12 ARG 724 HH22 ARG 724 37.457 34.056 -2.725 339 HH21 ARG 724 HH11 ARG 724 40.295 32.219 -3.494 340 HH22 ARG 724 HH12 ARG 724 39.490 33.743 -3.663 341 H LYS 725 HN LYS 725 36.635 28.371 3.120 342 HA LYS 725 HA LYS 725 37.938 29.204 4.828 343 HB2 LYS 725 HB2 LYS 725 38.378 26.511 4.550 344 HB3 LYS 725 HB1 LYS 725 40.019 27.147 4.478 345 HG2 LYS 725 HG2 LYS 725 39.722 28.296 6.602 346 HG3 LYS 725 HG1 LYS 725 38.021 27.830 6.659 347 HD2 LYS 725 HD2 LYS 725 38.659 25.457 6.743 348 HD3 LYS 725 HD1 LYS 725 40.363 25.906 6.673 349 HE2 LYS 725 HE2 LYS 725 40.134 27.151 8.785 350 HE3 LYS 725 HE1 LYS 725 38.424 26.723 8.857 351 HZ1 LYS 725 HZ1 LYS 725 39.150 24.974 10.017 352 HZ2 LYS 725 HZ2 LYS 725 40.751 25.132 9.471 353 HZ3 LYS 725 HZ3 LYS 725 39.599 24.330 8.513 354 H GLU 726 HN GLU 726 38.515 30.242 2.176 355 HA GLU 726 HA GLU 726 40.062 31.546 1.092 356 HB2 GLU 726 HB2 GLU 726 41.154 31.665 3.911 357 HB3 GLU 726 HB1 GLU 726 41.754 32.658 2.583 358 HG2 GLU 726 HG2 GLU 726 39.535 33.631 2.263 359 HG3 GLU 726 HG1 GLU 726 38.871 32.585 3.517 360 H PHE 727 HN PHE 727 42.259 31.633 0.278 361 HA PHE 727 HA PHE 727 43.935 29.304 0.916 362 HB2 PHE 727 HB2 PHE 727 42.570 28.586 -0.976 363 HB3 PHE 727 HB1 PHE 727 43.010 30.040 -1.871 364 HD1 PHE 727 HD2 PHE 727 44.515 27.064 -0.170 365 HD2 PHE 727 HD1 PHE 727 44.933 30.060 -3.220 366 HE1 PHE 727 HE2 PHE 727 46.564 25.938 -0.995 367 HE2 PHE 727 HE1 PHE 727 46.983 28.933 -4.045 368 HZ PHE 727 HZ PHE 727 47.798 26.872 -2.933
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